*HEADER   CYTOKINE (CHEMOTACTIC)                  03-AUG-95   1IKM    
*TITLE    NMR STUDY OF MONOMERIC HUMAN INTERLEUKIN-8                  
*TITLE   2 (30 STRUCTURES)                                            
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: HUMAN INTERLEUKIN-8 (MONOMERIC);                 
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: NAP-1;                                            
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 MUTATION: DEL(1-3), THE AMIDE PROTON OF LEU 25 MODIFIED TO 
*COMPND  7 N-METHYL                                                   
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  4 ORGANISM_COMMON: HUMAN                                     
*EXPDTA   NMR, 30 STRUCTURES                                          
*AUTHOR   K.RAJARATHNAM,I.CLARK-LEWIS,B.D.SYKES                       
*REVDAT  1   15-OCT-95 1IKM    0                                      

**************************************************************
*             Author         :  Brian D. Sykes               *
*             Date submitted :  Wed Aug  2 1995              *
*                                                            *
**************************************************************
*HEADER   CYTOKINE(CHEMOTACTIC)
*COMPND   INTERLEUKIN 8 (MONOMERIC)
*COMPND   2 (RESIDUES 4-72; LEU-25 NH MODIFIED TO N-METHYL) (NMR, 30 STRUCTURES)
*SOURCE   HUMAN (HOMO SAPIENS)
*SOURCE   2 CHEMICAL SYNTHESIS USING SOLID-PHASE METHODS.
*EXPDTA    NMR
*AUTHOR    K.RAJARATHNAM, I.CLARK-LEWIS, B.D.SYKES

REMARK
REMARK 	THIS FILE CONTAINS ALL NMR CONSTRAINTS USED FOR INTERLEUKIN 8 
REMARK  (MONOMERIC) STRUCTURE GENERATION USING THE PROGRAM *XPLOR*
REMARK  ENTRIES FOLLOWING A ! ARE TREATED AS COMMENTS

!NOE RESTRAINTS
assign ( resid    4 and name  HA)  ( resid    5 and name   HN) 4.0 1.7 1.0
assign ( resid    5 and name  HB1) ( resid    5 and name   HN) 4.0 1.7 1.0
assign ( resid    5 and name  HB2) ( resid    5 and name   HN) 4.0 1.7 1.0
assign ( resid    5 and name  HB1) ( resid    5 and name   HA) 3.0 1.2 0.5
assign ( resid    5 and name  HB2) ( resid    5 and name   HA) 3.0 1.2 0.5

assign ( resid    5 and name   HA) ( resid    6 and name   HN) 2.4 0.6 0.3
assign ( resid    5 and name  HB#) ( resid    6 and name   HN) 3.0 1.2 1.5

assign ( resid    6 and name   HA) ( resid    6 and name   HN) 3.0 1.2 0.5
assign ( resid    6 and name  HB1) ( resid    6 and name   HA) 3.0 1.2 0.5
assign ( resid    6 and name  HB2) ( resid    6 and name   HA) 3.0 1.2 0.5
assign ( resid    6 and name  HD#) ( resid    6 and name   HA) 3.0 1.2 1.5
assign ( resid    6 and name  HB1) ( resid    6 and name   HN) 3.0 1.2 0.5
assign ( resid    6 and name  HB2) ( resid    6 and name   HN) 3.0 1.2 0.5

assign ( resid   33 and name  HB2) ( resid    6 and name   HN) 4.0 1.7 1.0
assign ( resid   33 and name  HB1) ( resid    6 and name   HN) 4.0 1.7 1.0
assign ( resid   33 and name  HB2) ( resid    6 and name   HA) 4.0 1.7 1.0
assign ( resid   33 and name  HB1) ( resid    6 and name   HA) 4.0 1.7 1.0

assign ( resid    5 and name HD#) ( resid    7 and name   HN) 4.0 1.7 3.5

assign ( resid    6 and name   HN) ( resid    7 and name   HN) 4.0 1.7 1.0
assign ( resid    6 and name   HA) ( resid    7 and name   HN) 2.4 0.6 0.8
assign ( resid    6 and name  HB1) ( resid    7 and name   HN) 3.0 1.2 0.5
assign ( resid    6 and name  HB2) ( resid    7 and name   HN) 3.0 1.2 0.5
assign ( resid    6 and name  HG#) ( resid    7 and name   HN) 4.0 1.7 2.0

assign ( resid    7 and name   HA) ( resid    7 and name   HN) 3.0 1.2 0.5
assign ( resid    7 and name  HB2) ( resid    7 and name   HN) 3.0 1.2 0.5
assign ( resid    7 and name  HB1) ( resid    7 and name   HN) 3.0 1.2 0.5
assign ( resid    7 and name  HB1) ( resid    7 and name   HA) 3.0 1.2 0.5
assign ( resid    7 and name  HB2) ( resid    7 and name   HA) 3.0 1.2 0.5

assign ( resid   34 and name  HB2) ( resid    7 and name   HN) 4.0 1.7 1.0
assign ( resid   34 and name  HB1) ( resid    7 and name   HA) 4.0 1.7 1.0
assign ( resid   34 and name  HB2) ( resid    7 and name   HA) 3.0 1.2 0.5

assign ( resid    7 and name   HA) ( resid    8 and name   HN) 3.0 1.2 0.5
assign ( resid    7 and name  HB1) ( resid    8 and name   HN) 4.0 1.7 1.0
assign ( resid    7 and name  HB2) ( resid    8 and name   HN) 4.0 1.7 1.0

assign ( resid    8 and name   HA) ( resid    8 and name   HN) 3.0 1.2 0.5
assign ( resid    8 and name  HB1) ( resid    8 and name   HN) 3.0 1.2 0.5
assign ( resid    8 and name  HB2) ( resid    8 and name   HN) 3.0 1.2 0.5

assign ( resid    7 and name   HA) ( resid    9 and name   HN) 3.0 1.2 0.5
assign ( resid    7 and name  HB2) ( resid    9 and name   HN) 3.0 1.2 1.0

assign ( resid    8 and name   HN) ( resid    9 and name   HN) 3.0 1.2 0.5
assign ( resid    8 and name   HA) ( resid    9 and name   HN) 3.0 1.2 0.5
assign ( resid    8 and name  HB1) ( resid    9 and name   HN) 4.0 1.7 1.0
assign ( resid    8 and name  HB2) ( resid    9 and name   HN) 4.0 1.7 1.0

assign ( resid    9 and name   HA) ( resid    9 and name   HN) 3.0 1.2 0.5
assign ( resid    9 and name  HB1) ( resid    9 and name   HN) 3.0 1.2 0.5
assign ( resid    9 and name  HB2) ( resid    9 and name   HN) 3.0 1.2 0.5
assign ( resid    9 and name  HB2) ( resid    9 and name   HA) 3.0 1.2 0.5

assign ( resid    9 and name   HN) ( resid   10 and name   HN) 4.0 1.7 1.0
assign ( resid    9 and name   HA) ( resid   10 and name   HN) 2.4 0.6 0.3
assign ( resid    9 and name  HB1) ( resid   10 and name   HN) 4.0 1.7 1.0
assign ( resid    9 and name  HB2) ( resid   10 and name   HN) 4.0 1.7 1.0

assign ( resid   10 and name   HA) ( resid   10 and name   HN) 3.0 1.2 0.5
assign ( resid   10 and name   HB) ( resid   10 and name   HN) 3.0 1.2 0.5
assign ( resid   10 and name HG11) ( resid   10 and name   HN) 4.0 1.7 1.0
assign ( resid   10 and name HG12) ( resid   10 and name   HN) 4.0 1.7 1.0
assign ( resid   10 and name   HB) ( resid   10 and name   HA) 3.0 1.2 0.5
assign ( resid   10 and name HG2#) ( resid   10 and name   HA) 2.4 0.6 1.4

assign ( resid    9 and name   HA) ( resid   11 and name   HN) 3.0 1.2 0.5
assign ( resid    9 and name  HB2) ( resid   11 and name   HN) 4.0 1.7 1.0
assign ( resid    9 and name  HB1) ( resid   11 and name   HN) 4.0 1.7 1.0

assign ( resid   10 and name   HA) ( resid   11 and name   HN) 3.0 1.2 0.5
assign ( resid   10 and name   HN) ( resid   11 and name   HN) 3.0 1.2 0.5
assign ( resid   10 and name   HB) ( resid   11 and name   HN) 3.0 1.2 0.5
assign ( resid   10 and name HG2#) ( resid   11 and name   HN) 4.0 1.7 2.5

assign ( resid   11 and name   HA) ( resid   11 and name   HN) 3.0 1.2 0.5
assign ( resid   11 and name  HG#) ( resid   11 and name   HN) 3.0 1.2 1.5
assign ( resid   11 and name  HB#) ( resid   11 and name   HA) 2.4 0.6 1.3

assign ( resid   11 and name   HA) ( resid   12 and name   HN) 2.4 0.6 0.3

assign ( resid   12 and name   HB) ( resid   12 and name   HN) 4.0 1.7 1.0
assign ( resid   12 and name HG2#) ( resid   12 and name   HN) 3.0 1.2 2.0
assign ( resid   12 and name   HB) ( resid   12 and name   HA) 2.4 0.6 0.3
assign ( resid   12 and name HG2#) ( resid   12 and name   HA) 2.4 0.6 1.4

assign ( resid   51 and name  HA)  ( resid   12 and name   HA) 4.0 1.7 1.0
assign ( resid   50 and name  HB2) ( resid   12 and name   HA) 3.0 1.2 0.5

assign ( resid   12 and name   HA) ( resid   13 and name   HN) 2.4 0.6 0.3
assign ( resid   12 and name   HB) ( resid   13 and name   HN) 3.0 1.2 0.5
assign ( resid   12 and name HG2#) ( resid   13 and name   HN) 3.0 1.2 2.0
assign ( resid   12 and name HG2#) ( resid   13 and name  HD#) 4.0 1.7 3.5
assign ( resid   12 and name HB) ( resid   13 and name  HD#) 4.0 1.7 2.0

assign ( resid   13 and name   HA) ( resid   13 and name   HN) 3.0 1.2 0.5
assign ( resid   13 and name  HB1) ( resid   13 and name   HN) 3.0 1.2 0.5
assign ( resid   13 and name  HB2) ( resid   13 and name   HN) 3.0 1.2 0.5
assign ( resid   13 and name  HD#) ( resid   13 and name   HN) 3.0 1.2 1.5
assign ( resid   13 and name  HB1) ( resid   13 and name   HA) 3.0 1.2 0.5
assign ( resid   13 and name  HB2) ( resid   13 and name   HA) 3.0 1.2 0.5
assign ( resid   13 and name   HA) ( resid   13 and name  HD#) 3.0 1.2 1.5
assign ( resid   13 and name  HB1) ( resid   13 and name  HD#) 2.4 0.6 1.3
assign ( resid   13 and name  HB2) ( resid   13 and name  HD#) 2.4 0.6 1.3

assign ( resid   15 and name  HB1) ( resid   13 and name  HE#) 3.0 1.2 1.5
assign ( resid   15 and name  HB2) ( resid   13 and name  HE#) 3.0 1.2 1.5

assign ( resid   17 and name  HD#) ( resid   13 and name  HE#) 3.0 1.2 2.5

assign ( resid   49 and name HD2#) ( resid   13 and name   HA) 3.0 1.2 2.0
assign  ( resid   49 and name  HB#) ( resid   13 and name  HD#) 3.0 1.2 2.5
assign ( resid   49 and name HD1#) ( resid   13 and name  HD#) 3.0 1.2 3.0
assign ( resid   49 and name HD2#) ( resid   13 and name  HD#) 3.0 1.2 3.0
assign ( resid   49 and name  HB#) ( resid   13 and name  HE#) 3.0 1.2 2.5
assign ( resid   49 and name HD1#) ( resid   13 and name  HE#) 3.0 1.2 3.0
assign ( resid   49 and name HD2#) ( resid   13 and name  HE#) 4.0 1.7 3.5
assign ( resid   51 and name   HA) ( resid   13 and name   HN) 3.0 1.2 0.5
assign ( resid   51 and name   HA) ( resid   13 and name  HD#) 4.0 1.7 2.0
assign ( resid   52 and name  HB#) ( resid   13 and name  HD#) 3.0 1.2 3.5
assign ( resid   57 and name  HH2) ( resid   13 and name  HD#) 4.0 1.7 2.0

assign ( resid   13 and name   HA) ( resid   14 and name   HN) 2.4 0.6 0.3
assign ( resid   13 and name  HB1) ( resid   14 and name   HN) 4.0 1.7 1.0
assign ( resid   13 and name  HB2) ( resid   14 and name   HN) 4.0 1.7 1.0
assign ( resid   13 and name  HE#) ( resid   14 and name   HN) 4.0 1.7 2.0

assign ( resid   14 and name  HB#) ( resid   14 and name   HA) 2.4 0.6 1.3
assign ( resid   14 and name  HB#) ( resid   14 and name   HN) 3.0 1.2 1.5

assign ( resid   15 and name  HB#) ( resid   14 and name   HN) 4.0 1.7 2.0

assign ( resid   52 and name  HB1) ( resid   14 and name  HA) 4.0 1.7 1.0
assign ( resid   52 and name  HB2) ( resid   14 and name  HA) 4.0 1.7 1.0
assign ( resid   55 and name  HG#) ( resid   14 and name   HA) 3.0 1.2 1.5

assign ( resid   14 and name   HN) ( resid   15 and name   HN) 3.0 1.2 0.5
assign ( resid   14 and name   HA) ( resid   15 and name   HN) 3.0 1.2 0.5
assign ( resid   14 and name  HB#) ( resid   15 and name   HN) 4.0 1.7 2.0

assign ( resid   15 and name  HA)  ( resid   15 and name   HN) 3.0 1.2 0.5
assign ( resid   15 and name  HB1) ( resid   15 and name   HN) 3.0 1.2 0.5
assign ( resid   15 and name  HB2) ( resid   15 and name   HN) 3.0 1.2 0.5
assign ( resid   15 and name  HG#) ( resid   15 and name   HN) 3.0 1.2 1.5
assign ( resid   15 and name  HB#) ( resid   15 and name   HA) 3.0 1.2 1.5

assign ( resid   16 and name  HD1) ( resid   15 and name   HA) 2.4 0.6 0.3
assign ( resid   16 and name  HD2) ( resid   15 and name   HA) 2.4 0.6 0.3

assign ( resid   15 and name  HB1) ( resid   16 and name  HD1) 3.0 1.2 1.0
assign ( resid   15 and name  HB1) ( resid   16 and name  HD2) 3.0 1.2 0.5
assign ( resid   15 and name  HB2) ( resid   16 and name  HD1) 3.0 1.2 1.0
assign ( resid   15 and name  HB2) ( resid   16 and name  HD2) 3.0 1.2 0.5

assign ( resid   16 and name  HA) ( resid   17 and name   HN) 2.4 0.6 0.3
assign ( resid   16 and name  HB1) ( resid   17 and name   HN) 3.0 1.2 0.5
assign ( resid   16 and name  HB2) ( resid   17 and name   HN) 3.0 1.2 0.5

assign ( resid   17 and name   HA) ( resid   17 and name   HN) 3.0 1.2 0.5
assign ( resid   17 and name  HB#) ( resid   17 and name   HN) 3.0 1.2 1.1
assign ( resid   17 and name  HB#) ( resid   17 and name   HA) 2.4 0.6 0.9
assign ( resid   17 and name  HB#) ( resid   17 and name  HD#) 2.4 0.6 2.3
assign ( resid   17 and name   HA) ( resid   17 and name  HD#) 3.0 1.2 1.5
assign ( resid   17 and name   HN) ( resid   17 and name  HD#) 3.0 1.2 2.5

assign ( resid   19 and name   HA) ( resid   17 and name  HD#) 4.0 1.7 2.0
assign ( resid   19 and name   HA) ( resid   17 and name  HE#) 3.0 1.2 1.5

assign ( resid   22 and name   HA) ( resid   17 and name  HE#) 4.0 1.7 2.0
assign ( resid   22 and name HG2#) ( resid   17 and name  HE#) 3.0 1.2 3.0
assign ( resid   22 and name HD1#) ( resid   17 and name  HE#) 3.0 1.2 3.0
assign ( resid   22 and name HG1#) ( resid   17 and name  HE#) 3.0 1.2 3.0
assign ( resid   22 and name HD1#) ( resid   17 and name   HZ) 3.0 1.2 2.0
assign ( resid   22 and name HG1#) ( resid   17 and name   HZ) 3.0 1.2 1.5
assign ( resid   22 and name HG1#) ( resid   17 and name  HD#) 3.0 1.2 3.0

assign ( resid   41 and name   HB) ( resid   17 and name   HZ) 3.0 1.2 0.5
assign ( resid   41 and name   HB) ( resid   17 and name   HE#) 3.0 1.2 1.5
assign ( resid   41 and name HG2#) ( resid   17 and name   HZ) 3.0 1.2 3.0
assign ( resid   43 and name HD2#) ( resid   17 and name   HZ) 3.0 1.2 2.0
assign ( resid   43 and name HD2#) ( resid   17 and name  HE#) 3.0 1.2 3.0

assign ( resid   49 and name HD2#) ( resid   17 and name  HD#) 3.0 1.2 3.0
assign ( resid   49 and name  HB#) ( resid   17 and name  HE#) 4.0 1.7 3.0
assign ( resid   49 and name HD2#) ( resid   17 and name  HE#) 3.0 1.2 3.0
assign ( resid   49 and name HD1#) ( resid   17 and name   HZ) 4.0 1.7 3.5
assign ( resid   49 and name HD2#) ( resid   17 and name   HZ) 4.0 1.7 3.5

assign ( resid   51 and name   HG) ( resid   17 and name   HZ) 4.0 1.7 1.0
assign ( resid   51 and name HD1#) ( resid   17 and name   HZ) 3.0 1.2 2.0
assign ( resid   51 and name HD1#) ( resid   17 and name  HD#) 4.0 1.7 3.5
assign ( resid   51 and name HD1#) ( resid   17 and name  HE#) 3.0 1.2 3.0
assign ( resid   51 and name HD2#) ( resid   17 and name   HZ) 3.0 1.2 2.0
assign ( resid   51 and name HD2#) ( resid   17 and name  HE#) 3.0 1.2 3.0

assign ( resid   57 and name  HE3) ( resid   17 and name   HN) 4.0 1.7 1.0
assign ( resid   57 and name  HH2) ( resid   17 and name   HN) 4.0 1.7 1.0
assign ( resid   57 and name  HH2) ( resid   17 and name  HD#) 4.0 1.7 2.0
assign ( resid   57 and name  HH2) ( resid   17 and name  HE#) 3.0 1.2 1.5
assign ( resid   57 and name  HZ3) ( resid   17 and name   HN) 3.0 1.2 0.5

assign ( resid   61 and name HG1#) ( resid   17 and name  HD#) 4.0 1.7 3.5

assign ( resid   17 and name   HN) ( resid   18 and name   HN) 4.0 1.7 1.0
assign ( resid   17 and name   HA) ( resid   18 and name   HN) 2.4 0.6 0.3

assign ( resid   18 and name   HA) ( resid   18 and name   HN) 3.0 1.2 0.5
assign ( resid   18 and name  HB#) ( resid   18 and name   HN) 2.4 0.6 1.3
assign ( resid   18 and name  HD2) ( resid   18 and name   HN) 4.0 1.7 1.0
assign ( resid   18 and name   HA) ( resid   18 and name  HD2) 3.0 1.2 1.0
assign ( resid   18 and name  HB#) ( resid   18 and name  HD2) 2.4 0.6 1.3

assign ( resid   19 and name  HD1) ( resid   18 and name   HA) 2.4 0.6 0.3
assign ( resid   19 and name  HD1) ( resid   18 and name   HN) 4.0 1.7 1.0
assign ( resid   19 and name  HD1) ( resid   18 and name  HD2) 4.0 1.7 1.0
assign ( resid   19 and name  HD2) ( resid   18 and name  HD2) 4.0 1.7 1.0
assign ( resid   19 and name  HD1) ( resid   18 and name  HE1) 4.0 1.7 1.0
assign ( resid   19 and name  HD2) ( resid   18 and name  HE1) 4.0 1.7 1.0
assign ( resid   19 and name  HG#) ( resid   18 and name  HE1) 3.0 1.2 1.5
assign ( resid   19 and name  HD2) ( resid   18 and name   HA) 2.4 0.6 0.8
assign ( resid   19 and name  HD2) ( resid   18 and name   HN) 4.0 1.7 2.0

assign ( resid   20 and name   HA) ( resid   18 and name  HE1) 4.0 1.7 1.0
assign ( resid   20 and name  HB1) ( resid   18 and name  HE1) 3.0 1.2 0.5
assign ( resid   20 and name  HB2) ( resid   18 and name  HE1) 3.0 1.2 0.5
assign ( resid   21 and name  HD#) ( resid   18 and name   HN) 4.0 1.7 2.0
assign ( resid   21 and name  HE#) ( resid   18 and name   HN) 3.0 1.2 1.5

assign ( resid   18 and name  HB#) ( resid   19 and name  HD2) 3.0 1.2 1.5

assign ( resid   19 and name  HB1) ( resid   19 and name   HA) 2.4 0.6 0.3
assign ( resid   19 and name  HB2) ( resid   19 and name   HA) 3.0 1.2 0.5

assign ( resid   22 and name HG2#) ( resid   19 and name   HA) 4.0 1.7 2.5

assign ( resid   61 and name HG1#) ( resid   19 and name  HD2) 4.0 1.7 2.5

assign ( resid   18 and name  HB#) ( resid   20 and name   HN) 4.0 1.7 2.0
assign ( resid   18 and name  HE1) ( resid   20 and name   HN) 3.0 1.2 0.5

assign ( resid   19 and name   HA) ( resid   20 and name   HN) 3.0 1.2 0.5
assign ( resid   19 and name  HB1) ( resid   20 and name   HN) 4.0 1.7 1.0
assign ( resid   19 and name  HB2) ( resid   20 and name   HN) 4.0 1.7 1.0
assign ( resid   19 and name  HD1) ( resid   20 and name   HN) 4.0 1.7 1.0
assign ( resid   19 and name  HD2) ( resid   20 and name   HN) 4.0 1.7 1.0
assign ( resid   19 and name  HG1) ( resid   20 and name   HN) 4.0 1.7 1.0
assign ( resid   19 and name  HG2) ( resid   20 and name   HN) 4.0 1.7 1.0

assign ( resid   20 and name   HA) ( resid   20 and name   HN) 3.0 1.2 0.5
assign ( resid   20 and name  HB1) ( resid   20 and name   HN) 3.0 1.2 0.5
assign ( resid   20 and name  HB2) ( resid   20 and name   HN) 3.0 1.2 0.5
assign ( resid   20 and name  HB1) ( resid   20 and name   HA) 2.4 0.6 0.3
assign ( resid   20 and name  HB2) ( resid   20 and name   HA) 2.4 0.6 0.3

assign ( resid   18 and name  HB#) ( resid   21 and name  HD#) 3.0 1.2 2.5
assign ( resid   19 and name  HA) ( resid   21 and name   HN) 4.0 1.7 1.0

assign ( resid   20 and name   HN) ( resid   21 and name   HN) 3.0 1.2 0.5
assign ( resid   20 and name   HA) ( resid   21 and name   HN) 3.0 1.2 0.5
assign ( resid   20 and name  HB1) ( resid   21 and name   HN) 4.0 1.7 1.0
assign ( resid   20 and name  HB2) ( resid   21 and name   HN) 4.0 1.7 1.0

assign ( resid   21 and name   HA) ( resid   21 and name   HN) 3.0 1.2 0.5
assign ( resid   21 and name  HB2) ( resid   21 and name   HN) 3.0 1.2 0.5
assign ( resid   21 and name  HB1) ( resid   21 and name   HN) 3.0 1.2 0.5
assign ( resid   21 and name  HD#) ( resid   21 and name   HN) 3.0 1.2 1.5
assign ( resid   21 and name  HB2) ( resid   21 and name   HA) 2.4 0.6 0.3
assign ( resid   21 and name  HB1) ( resid   21 and name   HA) 3.0 1.2 0.5
assign ( resid   21 and name   HA) ( resid   21 and name  HD#) 3.0 1.2 1.5
assign ( resid   21 and name  HB1) ( resid   21 and name  HD#) 3.0 1.2 1.5
assign ( resid   21 and name  HB2) ( resid   21 and name  HD#) 3.0 1.2 1.5

assign ( resid   17 and name  HE#) ( resid   22 and name   HN) 4.0 1.7 2.0

assign ( resid   20 and name   HA) ( resid   22 and name   HN) 4.0 1.7 1.0
assign ( resid   21 and name   HA) ( resid   22 and name   HN) 3.0 1.2 0.5

assign ( resid   22 and name   HA) ( resid   22 and name   HN) 3.0 1.2 0.5
assign ( resid   22 and name   HB) ( resid   22 and name   HN) 2.4 0.6 0.3
assign ( resid   22 and name HG2#) ( resid   22 and name   HN) 3.0 1.2 2.0
assign ( resid   22 and name   HB) ( resid   22 and name   HA) 3.0 1.2 0.5
assign ( resid   22 and name HG1#) ( resid   22 and name   HA) 2.4 0.6 1.3
assign ( resid   22 and name HG2#) ( resid   22 and name   HA) 2.4 0.6 1.3

assign ( resid   25 and name   HN#) ( resid   22 and name HG2#) 3.0 1.2 3.5

assign ( resid   43 and name   HG) ( resid   22 and name   HA) 4.0 1.7 1.0
assign ( resid   65 and name  HE#) ( resid   22 and name HG2#) 3.0 1.2 3.0

assign ( resid   22 and name   HN) ( resid   23 and name   HN) 4.0 1.7 1.0
assign ( resid   22 and name   HA) ( resid   23 and name   HN) 2.4 0.6 0.3
assign ( resid   22 and name   HB) ( resid   23 and name   HN) 4.0 1.7 1.0
assign ( resid   22 and name HG2#) ( resid   23 and name   HN) 3.0 1.2 2.0

assign ( resid   23 and name  HB1) ( resid   23 and name   HN) 3.0 1.2 0.5
assign ( resid   23 and name  HB2) ( resid   23 and name   HN) 3.0 1.2 0.5

assign ( resid   24 and name  HB#) ( resid   23 and name   HN) 4.0 1.7 2.0

assign ( resid   42 and name   HN) ( resid   23 and name   HN) 4.0 1.7 1.0
assign ( resid   43 and name   HA) ( resid   23 and name   HN) 3.0 1.2 0.5

assign ( resid   22 and name   HA) ( resid   24 and name   HN) 3.0 1.2 0.5
assign ( resid   22 and name HG2#) ( resid   24 and name   HN) 3.0 1.2 2.0

assign ( resid   23 and name   HN) ( resid   24 and name   HN) 2.4 0.6 0.3
assign ( resid   23 and name  HB#) ( resid   24 and name   HN) 3.0 1.2 1.5

assign ( resid   24 and name  HG#) ( resid   24 and name   HN) 3.0 1.2 1.5
assign ( resid   24 and name  HB1) ( resid   24 and name   HA) 3.0 1.2 0.5
assign ( resid   24 and name  HB2) ( resid   24 and name   HA) 3.0 1.2 0.5
assign ( resid   24 and name  HG#) ( resid   24 and name   HA) 3.0 1.2 1.0

assign ( resid   25 and name   HN#) ( resid   24 and name   HN) 4.0 1.7 2.5
assign ( resid   25 and name   HN#) ( resid   24 and name   HA) 2.4 0.6 1.8

assign ( resid   42 and name  HB1) ( resid   24 and name   HN) 3.0 1.2 0.5
assign ( resid   42 and name  HB2) ( resid   24 and name   HN) 3.0 1.2 0.5

assign ( resid   17 and name   HZ) ( resid   25 and name HD1#) 4.0 1.7 2.5

assign ( resid   22 and name HG2#) ( resid   25 and name   HA) 4.0 1.7 2.5

assign ( resid   25 and name   HN#) ( resid   25 and name   HA) 3.0 1.2 2.0
assign ( resid   25 and name  HB1) ( resid   25 and name   HA) 3.0 1.2 0.5
assign ( resid   25 and name  HB2) ( resid   25 and name   HA) 3.0 1.2 0.5
assign ( resid   25 and name   HG) ( resid   25 and name   HA) 3.0 1.2 0.5
assign ( resid   25 and name   HN#) ( resid   25 and name HB1) 3.0 1.2 2.0
assign ( resid   25 and name   HN#) ( resid   25 and name HB2) 3.0 1.2 2.0

assign ( resid   27 and name HG1#) ( resid   25 and name HD1#) 3.0 1.2 4.5
assign ( resid   27 and name HG2#) ( resid   25 and name HD1#) 3.0 1.2 4.5

assign ( resid   41 and name   HA) ( resid   25 and name   HA) 2.4 0.6 0.3
assign ( resid   41 and name   HB) ( resid   25 and name   HA) 3.0 1.2 0.5
assign ( resid   41 and name HG1#) ( resid   25 and name   HA) 3.0 1.2 3.0
assign ( resid   41 and name HG2#) ( resid   25 and name   HA) 4.0 1.7 2.5

assign ( resid   62 and name   HA) ( resid   25 and name HD1#) 3.0 1.2 2.0
assign ( resid   62 and name   HA) ( resid   25 and name HD2#) 3.0 1.2 2.0
assign ( resid   62 and name HG#) ( resid   25 and name HD1#) 2.4 0.6 3.8
assign ( resid   62 and name HG#) ( resid   25 and name HD2#) 2.4 0.6 3.8

assign ( resid   65 and name  HB2) ( resid   25 and name HD2#) 3.0 1.2 2.0
assign ( resid   65 and name  HB1) ( resid   25 and name HD2#) 3.0 1.2 2.0
assign ( resid   65 and name  HB2) ( resid   25 and name HD1#) 4.0 1.7 2.5
assign ( resid   65 and name  HB1) ( resid   25 and name HD1#) 3.0 1.2 2.0
assign ( resid   65 and name  HE#) ( resid   25 and name HD1#) 3.0 1.2 3.0
assign ( resid   65 and name  HE#) ( resid   25 and name HD2#) 3.0 1.2 3.0
assign ( resid   65 and name  HE#) ( resid   25 and name HB2) 4.0 1.7 2.0

assign ( resid   25 and name   HN#) ( resid   26 and name   HN) 4.0 1.7 2.5
assign ( resid   25 and name   HN#) ( resid   26 and name   HA) 2.4 0.6 1.8
assign ( resid   25 and name   HA) ( resid   26 and name   HN) 2.4 0.6 0.3
assign ( resid   25 and name   HG) ( resid   26 and name   HN) 3.0 1.2 0.5
assign ( resid   25 and name HD#) ( resid   26 and name   HA) 3.0 1.2 2.0

assign ( resid   26 and name  HA) ( resid   26 and name   HN) 3.0 1.2 0.5
assign ( resid   26 and name  HB#) ( resid   26 and name   HN) 3.0 1.2 1.0
assign ( resid   26 and name  HB1) ( resid   26 and name   HA) 2.4 0.6 0.3
assign ( resid   26 and name  HB2) ( resid   26 and name   HA) 2.4 0.6 0.3
assign ( resid   26 and name  HB2) ( resid   26 and name   HE#) 4.0 1.7 2.0
assign ( resid   26 and name  HD#) ( resid   26 and name   HE#) 3.0 1.2 2.5

assign ( resid   41 and name   HA) ( resid   26 and name   HN) 3.0 1.2 0.5
assign  ( resid   41 and name HG1#) ( resid   26 and name   HN) 3.0 1.2 3.0

assign ( resid   26 and name   HA) ( resid   27 and name   HN) 2.4 0.6 0.3
assign ( resid   26 and name  HB1) ( resid   27 and name   HN) 4.0 1.7 1.0
assign ( resid   26 and name  HB2) ( resid   27 and name   HN) 4.0 1.7 1.0

assign ( resid   27 and name   HB) ( resid   27 and name   HN) 3.0 1.2 0.5
assign ( resid   27 and name HG1#) ( resid   27 and name   HN) 3.0 1.2 2.0
assign ( resid   27 and name   HB) ( resid   27 and name   HA) 4.0 1.7 1.0
assign ( resid   27 and name HG1#) ( resid   27 and name   HA) 3.0 1.2 2.0
assign ( resid   27 and name HG2#) ( resid   27 and name   HA) 3.0 1.2 2.0

assign ( resid    8 and name  HG#) ( resid   28 and name HD1#) 3.0 1.2 3.0

assign ( resid   27 and name   HN) ( resid   28 and name   HN) 4.0 1.7 1.0
assign ( resid   27 and name   HA) ( resid   28 and name   HN) 3.0 1.2 0.5

assign ( resid   28 and name   HA) ( resid   28 and name   HN) 3.0 1.2 0.5
assign ( resid   28 and name   HB) ( resid   28 and name   HN) 3.0 1.2 0.5
assign ( resid   28 and name HD1#) ( resid   28 and name   HN) 3.0 1.2 2.0
assign ( resid   28 and name HG1#) ( resid   28 and name   HN) 3.0 1.2 0.5
assign ( resid   28 and name HD1#) ( resid   28 and name   HA) 3.0 1.2 2.0
assign ( resid   28 and name HG2#) ( resid   28 and name   HA) 2.4 0.6 1.4
assign ( resid   28 and name   HB) ( resid   28 and name HD1#) 2.4 0.6 1.8

assign ( resid   38 and name   HN) ( resid   28 and name   HN) 3.0 1.2 0.5
assign ( resid   39 and name   HA) ( resid   28 and name   HN) 3.0 1.2 0.5
assign ( resid   40 and name   HN) ( resid   28 and name   HN) 4.0 1.7 1.0
assign ( resid   40 and name HG1#) ( resid   28 and name   HN) 3.0 1.2 1.5

assign ( resid   28 and name   HA) ( resid   29 and name   HN) 2.4 0.6 0.3
assign ( resid   28 and name HG2#) ( resid   29 and name   HN) 3.0 1.2 2.0

assign ( resid   29 and name  HB1) ( resid   29 and name   HN) 3.0 1.2 0.5
assign ( resid   29 and name  HB2) ( resid   29 and name   HN) 3.0 1.2 0.5
assign ( resid   29 and name  HB1) ( resid   29 and name   HA) 3.0 1.2 0.5
assign ( resid   29 and name  HB2) ( resid   29 and name   HA) 3.0 1.2 0.5

assign ( resid   37 and name HG2#) ( resid   29 and name   HA) 2.4 0.6 1.8

assign ( resid   29 and name   HN) ( resid   30 and name   HN) 4.0 1.7 1.0
assign ( resid   29 and name   HA) ( resid   30 and name   HN) 2.4 0.6 0.3
assign ( resid   29 and name  HB1) ( resid   30 and name   HN) 3.0 1.2 0.5
assign ( resid   29 and name  HB2) ( resid   30 and name   HN) 3.0 1.2 0.5
assign ( resid   29 and name  HG#) ( resid   30 and name   HN) 3.0 1.2 1.5

assign ( resid   30 and name   HA) ( resid   30 and name   HN) 3.0 1.2 0.5
assign ( resid   30 and name  HB2) ( resid   30 and name   HN) 3.0 1.2 0.5
assign ( resid   30 and name  HB1) ( resid   30 and name   HN) 4.0 1.7 1.0
assign ( resid   30 and name  HB1) ( resid   30 and name   HA) 2.4 0.6 0.3
assign ( resid   30 and name  HB2) ( resid   30 and name   HA) 2.4 0.6 0.3

assign ( resid   34 and name  HB1) ( resid   30 and name   HA) 4.0 1.7 1.0
assign ( resid   34 and name  HB2) ( resid   30 and name   HA) 4.0 1.7 1.0

assign ( resid   37 and name HG2#) ( resid   30 and name   HN) 3.0 1.2 2.0

assign ( resid   30 and name   HA) ( resid   31 and name   HN) 2.4 0.6 0.3
assign ( resid   30 and name  HB1) ( resid   31 and name   HN) 3.0 1.2 0.5
assign ( resid   30 and name  HB2) ( resid   31 and name   HN) 3.0 1.2 0.5

assign ( resid   32 and name  HD#) ( resid   31 and name   HN) 4.0 1.7 2.0
assign ( resid   32 and name  HD1) ( resid   31 and name  HA1) 3.0 1.2 0.5
assign ( resid   32 and name  HD1) ( resid   31 and name  HA2) 3.0 1.2 0.5
assign ( resid   32 and name  HD2) ( resid   31 and name  HA1) 3.0 1.2 0.5
assign ( resid   32 and name  HD2) ( resid   31 and name  HA2) 3.0 1.2 0.5

assign ( resid   34 and name   HA) ( resid   31 and name   HN) 4.0 1.7 1.0
assign ( resid   34 and name  HB1) ( resid   31 and name   HN) 4.0 1.7 1.0
assign ( resid   34 and name  HB2) ( resid   31 and name   HN) 4.0 1.7 1.0

assign ( resid   32 and name  HB1) ( resid   32 and name   HA) 2.4 0.6 0.3
assign ( resid   32 and name  HB2) ( resid   32 and name   HA) 3.0 1.2 0.5

assign ( resid    5 and name  HB#) ( resid   33 and name  HD2) 4.0 1.7 2.0

assign ( resid   28 and name HG2#) ( resid   33 and name  HD2) 4.0 1.7 2.5

assign ( resid   31 and name  HA1) ( resid   33 and name  HE1) 3.0 1.2 0.5
assign ( resid   31 and name  HA2) ( resid   33 and name  HE1) 3.0 1.2 0.5

assign ( resid   32 and name   HA) ( resid   33 and name   HN) 3.0 1.2 0.5
assign ( resid   32 and name  HD2) ( resid   33 and name   HN) 4.0 1.7 1.0
assign ( resid   32 and name  HD1) ( resid   33 and name   HN) 4.0 1.7 1.0
assign ( resid   32 and name  HG#) ( resid   33 and name   HN) 2.4 0.6 0.8

assign ( resid   33 and name  HA)  ( resid   33 and name   HD2) 4.0 1.7 1.0
assign ( resid   33 and name  HB1) ( resid   33 and name   HN) 3.0 1.2 1.0
assign ( resid   33 and name  HB2) ( resid   33 and name   HN) 4.0 1.7 1.0
assign ( resid   33 and name  HB2) ( resid   33 and name   HA) 2.4 0.6 0.8
assign ( resid   33 and name  HB1) ( resid   33 and name   HA) 3.0 1.2 1.0
assign ( resid   33 and name  HB1) ( resid   33 and name  HD2) 3.0 1.2 1.0
assign ( resid   33 and name  HB2) ( resid   33 and name  HD2) 3.0 1.2 1.0

assign ( resid   34 and name  HB1) ( resid   33 and name  HD2) 3.0 1.2 0.5

assign ( resid   31 and name   HN) ( resid   34 and name   HN) 3.0 1.2 0.5

assign ( resid   33 and name   HN) ( resid   34 and name   HN) 3.0 1.2 0.5
assign ( resid   33 and name   HA) ( resid   34 and name   HN) 3.0 1.2 0.5
assign ( resid   33 and name  HB#) ( resid   34 and name   HN) 4.0 1.7 2.0

assign ( resid   34 and name   HA) ( resid   34 and name   HN) 2.4 0.6 0.3
assign ( resid   34 and name  HB1) ( resid   34 and name   HN) 3.0 1.2 0.5
assign ( resid   34 and name  HB2) ( resid   34 and name   HN) 3.0 1.2 0.5
assign ( resid   34 and name  HB2) ( resid   34 and name   HA) 2.4 0.6 0.3

assign ( resid   34 and name   HN) ( resid   35 and name   HN) 4.0 1.7 1.0
assign ( resid   34 and name   HA) ( resid   35 and name   HN) 2.4 0.6 0.3
assign ( resid   34 and name  HB1) ( resid   35 and name   HN) 4.0 1.7 1.0
assign ( resid   34 and name  HB2) ( resid   35 and name   HN) 4.0 1.7 1.0

assign ( resid   35 and name   HA) ( resid   35 and name   HN) 3.0 1.2 0.5
assign ( resid   35 and name  HB#) ( resid   35 and name   HN) 2.4 0.6 1.8

assign ( resid   30 and name  HB1) ( resid   36 and name   HA) 4.0 1.7 1.0
assign ( resid   30 and name  HB2) ( resid   36 and name   HA) 4.0 1.7 1.0

assign ( resid   35 and name   HN) ( resid   36 and name   HN) 3.0 1.2 0.5
assign ( resid   35 and name   HA) ( resid   36 and name   HN) 3.0 1.2 0.5
assign ( resid   35 and name  HB#) ( resid   36 and name   HN) 3.0 1.2 2.0

assign ( resid   36 and name   HA) ( resid   36 and name   HN) 3.0 1.2 0.5
assign ( resid   36 and name  HB1) ( resid   36 and name   HN) 3.0 1.2 0.5
assign ( resid   36 and name  HB2) ( resid   36 and name   HN) 3.0 1.2 0.5
assign ( resid   36 and name  HB1) ( resid   36 and name   HA) 3.0 1.2 0.5
assign ( resid   36 and name  HB2) ( resid   36 and name   HA) 3.0 1.2 0.5

assign ( resid   30 and name  HB2) ( resid   37 and name   HN) 4.0 1.7 1.0

assign ( resid   36 and name   HN) ( resid   37 and name   HN) 4.0 1.7 1.0
assign ( resid   36 and name   HA) ( resid   37 and name   HN) 2.4 0.6 0.3
assign ( resid   36 and name  HB1) ( resid   37 and name   HN) 3.0 1.2 0.5
assign ( resid   36 and name  HB2) ( resid   37 and name   HN) 4.0 1.7 1.0

assign ( resid   37 and name   HA) ( resid   37 and name   HN) 3.0 1.2 0.5
assign ( resid   37 and name   HB) ( resid   37 and name   HN) 2.4 0.6 0.8
assign ( resid   37 and name HG2#) ( resid   37 and name   HN) 4.0 1.7 2.5
assign ( resid   37 and name   HB) ( resid   37 and name   HA) 3.0 1.2 0.5
assign ( resid   37 and name HG2#) ( resid   37 and name   HA) 2.4 0.6 1.8

assign ( resid   28 and name   HD1#) ( resid   38 and name   HN) 4.0 1.7 2.5

assign ( resid   37 and name   HA) ( resid   38 and name   HN) 2.4 0.6 0.3
assign ( resid   37 and name   HB) ( resid   38 and name   HN) 4.0 1.7 1.0
assign ( resid   37 and name HG2#) ( resid   38 and name   HN) 3.0 1.2 2.0

assign ( resid   38 and name   HA) ( resid   38 and name   HN) 3.0 1.2 0.5
assign ( resid   38 and name  HB1) ( resid   38 and name   HN) 3.0 1.2 0.5
assign ( resid   38 and name  HB2) ( resid   38 and name   HN) 3.0 1.2 0.5
assign ( resid   38 and name  HB1) ( resid   38 and name   HA) 3.0 1.2 0.5
assign ( resid   38 and name  HB2) ( resid   38 and name   HA) 3.0 1.2 0.5

assign ( resid   27 and name   HA) ( resid   39 and name HD1#) 4.0 1.7 2.5
assign ( resid   27 and name   HA) ( resid   39 and name HG2#) 4.0 1.7 2.5
assign ( resid   27 and name HG1#) ( resid   39 and name   HA) 4.0 1.7 2.5
assign ( resid   27 and name HG2#) ( resid   39 and name   HA) 4.0 1.7 2.5

assign ( resid   38 and name   HA) ( resid   39 and name   HN) 2.4 0.6 0.3
assign ( resid   38 and name   HN) ( resid   39 and name   HN) 4.0 1.7 1.0
assign ( resid   38 and name  HG#) ( resid   39 and name   HN) 4.0 1.7 2.0

assign ( resid   39 and name   HB) ( resid   39 and name   HN) 3.0 1.2 0.5
assign ( resid   39 and name HG12) ( resid   39 and name   HN) 4.0 1.7 1.0
assign ( resid   39 and name HD1#) ( resid   39 and name   HN) 4.0 1.7 2.5
assign ( resid   39 and name HG2#) ( resid   39 and name   HN) 4.0 1.7 2.5
assign ( resid   39 and name   HB) ( resid   39 and name   HA) 3.0 1.2 0.5
assign ( resid   39 and name HG11) ( resid   39 and name   HA) 3.0 1.2 0.5
assign ( resid   39 and name HG12) ( resid   39 and name   HA) 3.0 1.2 0.5
assign ( resid   39 and name HD1#) ( resid   39 and name   HA) 3.0 1.2 2.0
assign ( resid   39 and name HG2#) ( resid   39 and name   HA) 2.4 0.6 1.4
assign ( resid   39 and name   HB) ( resid   39 and name HD1#) 3.0 1.2 2.0

assign ( resid   51 and name   HN) ( resid   39 and name   HN) 4.0 1.7 1.0
assign ( resid   51 and name  HB#) ( resid   39 and name   HN) 3.0 1.2 1.5
assign ( resid   53 and name  HG1) ( resid   39 and name HD1#) 3.0 1.2 2.0
assign ( resid   53 and name  HG2) ( resid   39 and name HD1#) 3.0 1.2 2.0
assign ( resid   59 and name  HB#) ( resid   39 and name HD1#) 3.0 1.2 3.0

assign ( resid    8 and name  HB#) ( resid   40 and name HD1#) 3.0 1.2 3.0
assign ( resid   25 and name   HA) ( resid   40 and name   HN) 4.0 1.7 1.0
assign ( resid   26 and name   HN) ( resid   40 and name   HN) 4.0 1.7 1.0
assign ( resid   26 and name   HA) ( resid   40 and name   HN) 4.0 1.7 1.0
assign ( resid   26 and name  HD#) ( resid   40 and name HD1#) 4.0 1.7 3.5
assign ( resid   26 and name  HD#) ( resid   40 and name HG2#) 4.0 1.7 3.5

assign ( resid   39 and name   HA) ( resid   40 and name   HN) 2.4 0.6 0.3
assign ( resid   39 and name   HB) ( resid   40 and name   HN) 4.0 1.7 1.0
assign ( resid   39 and name HG2#) ( resid   40 and name   HN) 3.0 1.2 2.0

assign ( resid   40 and name   HA) ( resid   40 and name   HN) 3.0 1.2 0.5
assign ( resid   40 and name   HB) ( resid   40 and name   HN) 3.0 1.2 0.5
assign ( resid   40 and name HG11) ( resid   40 and name   HN) 4.0 1.7 1.5
assign ( resid   40 and name HG2#) ( resid   40 and name   HN) 3.0 1.2 2.0
assign ( resid   40 and name   HB) ( resid   40 and name   HA) 3.0 1.2 0.5
assign ( resid   40 and name HG11) ( resid   40 and name   HA) 3.0 1.2 0.5
assign ( resid   40 and name HG12) ( resid   40 and name   HA) 3.0 1.2 0.5
assign ( resid   40 and name HG2#) ( resid   40 and name   HA) 2.4 0.6 1.4
assign ( resid   40 and name   HB) ( resid   40 and name HD1#) 3.0 1.2 2.0

assign ( resid   48 and name  HG2) ( resid   40 and name HG2#) 2.4 0.6 1.8
assign ( resid   50 and name   HA) ( resid   40 and name HG1#) 4.0 1.7 2.0

assign ( resid   25 and name   HA) ( resid   41 and name   HA) 2.4 0.6 0.3
assign ( resid   25 and name   HG) ( resid   41 and name   HA) 4.0 1.7 1.0
assign ( resid   25 and name HD1#) ( resid   41 and name   HA) 3.0 1.2 2.0

assign ( resid   39 and name HG2#) ( resid   41 and name   HN) 4.0 1.7 2.5

assign ( resid   40 and name   HN) ( resid   41 and name   HN) 4.0 1.7 1.0
assign ( resid   40 and name   HA) ( resid   41 and name   HN) 2.4 0.6 0.3
assign ( resid   40 and name   HB) ( resid   41 and name   HN) 4.0 1.7 1.0
assign ( resid   40 and name HG11) ( resid   41 and name   HN) 4.0 1.7 1.0
assign ( resid   40 and name HG12) ( resid   41 and name   HN) 4.0 1.7 1.0
assign ( resid   40 and name HG2#) ( resid   41 and name   HA) 3.0 1.2 2.0
assign ( resid   40 and name HG2#) ( resid   41 and name   HN) 3.0 1.2 2.0

assign ( resid   41 and name   HA) ( resid   41 and name   HN) 3.0 1.2 0.5
assign ( resid   41 and name   HB) ( resid   41 and name   HN) 3.0 1.2 0.5
assign ( resid   41 and name HG1#) ( resid   41 and name   HN) 3.0 1.2 3.0
assign ( resid   41 and name   HB) ( resid   41 and name   HA) 2.4 0.6 0.3
assign ( resid   41 and name HG2#) ( resid   41 and name   HA) 2.4 0.6 2.4

assign ( resid   48 and name   HA) ( resid   41 and name   HN) 4.0 1.7 1.0
assign ( resid   49 and name   HN) ( resid   41 and name   HN) 3.0 1.2 0.5
assign ( resid   50 and name   HA) ( resid   41 and name   HN) 3.0 1.2 0.5
assign ( resid   51 and name   HG) ( resid   41 and name   HN) 4.0 1.7 1.0

assign ( resid   22 and name HG2#) ( resid   42 and name   HN) 4.0 1.7 2.5
assign ( resid   24 and name   HN) ( resid   42 and name   HN) 3.0 1.2 0.5
assign ( resid   25 and name   HA) ( resid   42 and name   HN) 3.0 1.2 0.5
assign ( resid   26 and name   HN) ( resid   42 and name   HN) 4.0 1.7 1.0
assign ( resid   25 and name HD1#) ( resid   42 and name   HN) 4.0 1.7 2.5

assign ( resid   40 and name HG2#) ( resid   42 and name   HN) 4.0 1.7 2.5

assign ( resid   41 and name   HN) ( resid   42 and name   HN) 4.0 1.7 1.0
assign ( resid   41 and name   HA) ( resid   42 and name   HN) 2.4 0.6 0.3
assign ( resid   41 and name   HB) ( resid   42 and name   HN) 3.0 1.2 0.5
assign ( resid   41 and name HG1#) ( resid   42 and name   HN) 3.0 1.2 2.0

assign ( resid   42 and name  HB1) ( resid   42 and name   HN) 3.0 1.2 0.5
assign ( resid   42 and name  HB2) ( resid   42 and name   HN) 3.0 1.2 0.5
assign ( resid   42 and name  HB1) ( resid   42 and name   HA) 3.0 1.2 0.5
assign ( resid   42 and name  HB2) ( resid   42 and name   HA) 3.0 1.2 0.5 
assign ( resid   42 and name  HG#) ( resid   42 and name   HA) 3.0 1.2 1.5

assign ( resid   49 and name   HN) ( resid   42 and name   HN) 4.0 1.7 1.0

assign ( resid   17 and name  HD#) ( resid   43 and name HD1#) 3.0 1.2 3.0
assign ( resid   17 and name  HD#) ( resid   43 and name HD2#) 3.0 1.2 3.0
assign ( resid   17 and name  HE#) ( resid   43 and name HD2#) 3.0 1.2 3.0

assign ( resid   21 and name  HB2) ( resid   43 and name HD1#) 4.0 1.7 2.5
assign ( resid   21 and name  HB1) ( resid   43 and name HD2#) 3.0 1.2 2.0
assign ( resid   21 and name  HB2) ( resid   43 and name HD2#) 3.0 1.2 2.0
assign ( resid   21 and name  HD#) ( resid   43 and name HD1#) 4.0 1.7 3.5
assign ( resid   22 and name   HA) ( resid   43 and name   HA) 3.0 1.2 0.5

assign ( resid   42 and name   HN) ( resid   43 and name   HN) 4.0 1.7 1.0

assign ( resid   43 and name  HB1) ( resid   43 and name   HN) 3.0 1.2 0.5
assign ( resid   43 and name  HB2) ( resid   43 and name   HN) 3.0 1.2 0.5
assign ( resid   43 and name   HG) ( resid   43 and name   HN) 2.4 0.6 0.3
assign ( resid   43 and name HD1#) ( resid   43 and name   HN) 3.0 1.2 2.0
assign ( resid   43 and name  HB1) ( resid   43 and name   HA) 3.0 1.2 0.5
assign ( resid   43 and name  HB2) ( resid   43 and name   HA) 3.0 1.2 0.5 
assign ( resid   43 and name   HA) ( resid   43 and name HD1#) 3.0 1.2 2.0
assign ( resid   43 and name  HB1) ( resid   43 and name HD1#) 3.0 1.2 2.0
assign ( resid   43 and name  HB2) ( resid   43 and name HD1#) 3.0 1.2 2.0
assign ( resid   43 and name   HA) ( resid   43 and name HD2#) 2.4 0.6 1.8
assign ( resid   43 and name  HB2) ( resid   43 and name HD2#) 3.0 1.2 2.0

assign ( resid   47 and name   HN) ( resid   43 and name   HN) 4.0 1.7 1.0
assign ( resid   47 and name  HB#) ( resid   43 and name HD1#) 3.0 1.2 3.0

assign ( resid   48 and name   HA) ( resid   43 and name   HN) 3.0 1.2 0.5

assign ( resid   21 and name  HB1) ( resid   44 and name   HN) 4.0 1.7 1.0
assign ( resid   22 and name   HA) ( resid   44 and name   HN) 3.0 1.2 0.5

assign ( resid   43 and name   HA) ( resid   44 and name   HN) 2.4 0.6 0.3
assign ( resid   43 and name  HB1) ( resid   44 and name   HN) 3.0 1.2 1.0
assign ( resid   43 and name  HB2) ( resid   44 and name   HN) 3.0 1.2 1.0

assign ( resid   44 and name   HA) ( resid   44 and name   HN) 2.4 0.6 0.3
assign ( resid   44 and name  HB#) ( resid   44 and name   HN) 3.0 1.2 1.5

assign ( resid   43 and name   HA) ( resid   45 and name   HN) 4.0 1.7 1.0
assign ( resid   43 and name  HB1) ( resid   45 and name   HN) 3.0 1.2 0.5
assign ( resid   43 and name  HB2) ( resid   45 and name   HN) 3.0 1.2 0.5

assign ( resid   44 and name   HN) ( resid   45 and name   HN) 3.0 1.2 0.5
assign ( resid   44 and name   HA) ( resid   45 and name   HN) 3.0 1.2 0.5
assign ( resid   44 and name  HB#) ( resid   45 and name   HN) 4.0 1.7 2.0

assign ( resid   45 and name   HA) ( resid   45 and name   HN) 2.4 0.6 0.3
assign ( resid   45 and name  HB1) ( resid   45 and name   HN) 3.0 1.2 1.0
assign ( resid   45 and name  HB2) ( resid   45 and name   HA) 2.4 0.6 0.8

assign ( resid   44 and name   HA) ( resid   46 and name   HN) 3.0 1.2 0.5
assign ( resid   44 and name   HN) ( resid   46 and name   HN) 4.0 1.7 1.0

assign ( resid   45 and name   HA) ( resid   46 and name   HN) 4.0 1.7 1.0
assign ( resid   45 and name   HN) ( resid   46 and name   HN) 3.0 1.2 0.5

assign ( resid   43 and name   HA) ( resid   47 and name   HN) 4.0 1.7 1.0
assign ( resid   43 and name  HB1) ( resid   47 and name   HN) 3.0 1.2 0.5
assign ( resid   43 and name  HB2) ( resid   47 and name   HN) 3.0 1.2 0.5
assign ( resid   43 and name HD1#) ( resid   47 and name   HN) 4.0 1.7 2.5

assign ( resid   46 and name   HN) ( resid   47 and name   HN) 3.0 1.2 0.5
assign ( resid   46 and name  HA1) ( resid   47 and name   HN) 3.0 1.2 0.5
assign ( resid   46 and name  HA2) ( resid   47 and name   HN) 3.0 1.2 0.5

assign ( resid   47 and name   HA) ( resid   47 and name   HN) 3.0 1.2 0.5
assign ( resid   47 and name  HB1) ( resid   47 and name   HN) 2.4 0.6 0.3
assign ( resid   47 and name  HB2) ( resid   47 and name   HN) 3.0 1.2 0.5
assign ( resid   47 and name  HD1) ( resid   47 and name   HN) 4.0 1.7 1.0
assign ( resid   47 and name  HD2) ( resid   47 and name   HN) 4.0 1.7 1.0
assign ( resid   47 and name  HB2) ( resid   47 and name   HA) 2.4 0.6 0.3
assign ( resid   47 and name  HG#) ( resid   47 and name   HA) 2.4 0.6 1.3

assign ( resid   40 and name HG2#) ( resid   48 and name   HA) 4.0 1.7 2.5
assign ( resid   42 and name   HA) ( resid   48 and name   HA) 2.4 0.6 0.3
assign ( resid   42 and name   HA) ( resid   48 and name   HN) 4.0 1.7 1.0
assign ( resid   42 and name  HB#) ( resid   48 and name   HA) 4.0 1.7 2.0
assign ( resid   42 and name  HG#) ( resid   48 and name   HA) 3.0 1.2 1.5
assign ( resid   43 and name HD1#) ( resid   48 and name   HA) 4.0 1.7 2.5

assign ( resid   47 and name   HA) ( resid   48 and name   HN) 2.4 0.6 0.3
assign ( resid   47 and name   HB1) ( resid   48 and name   HN) 3.0 1.2 1.0
assign ( resid   47 and name  HG#) ( resid   48 and name   HN) 3.0 1.2 1.5

assign ( resid   48 and name   HA) ( resid   48 and name   HN) 3.0 1.2 0.5
assign ( resid   48 and name  HB1) ( resid   48 and name   HN) 3.0 1.2 0.5
assign ( resid   48 and name  HB1) ( resid   48 and name   HA) 3.0 1.2 0.5
assign ( resid   48 and name  HB2) ( resid   48 and name   HA) 3.0 1.2 0.5


assign ( resid   17 and name  HE#) ( resid   49 and name HD1#) 4.0 1.7 3.5
assign ( resid   40 and name   HA) ( resid   49 and name   HN) 4.0 1.7 1.0
assign ( resid   40 and name HG2#) ( resid   49 and name   HN) 3.0 1.2 2.0
assign ( resid   42 and name   HA) ( resid   49 and name   HN) 3.0 1.2 0.5

assign ( resid   47 and name  HB#) ( resid   49 and name HD1#) 3.0 1.2 3.0
assign ( resid   47 and name  HD2) ( resid   49 and name HD1#) 4.0 1.7 2.5

assign ( resid   48 and name   HA) ( resid   49 and name   HN) 2.4 0.6 0.3
assign ( resid   48 and name   HN) ( resid   49 and name   HN) 4.0 1.7 1.0
assign ( resid   48 and name  HB#) ( resid   49 and name   HN) 3.0 1.2 1.5

assign ( resid   49 and name   HA) ( resid   49 and name   HN) 3.0 1.2 0.5
assign ( resid   49 and name  HB1) ( resid   49 and name   HN) 3.0 1.2 0.5
assign ( resid   49 and name  HB2) ( resid   49 and name   HN) 3.0 1.2 0.5
assign ( resid   49 and name HD1#) ( resid   49 and name   HN) 4.0 1.7 2.5
assign ( resid   49 and name HD2#) ( resid   49 and name   HN) 4.0 1.7 2.5
assign ( resid   49 and name  HB1) ( resid   49 and name   HA) 3.0 1.2 0.5
assign ( resid   49 and name  HB2) ( resid   49 and name   HA) 2.4 0.6 1.3
assign ( resid   49 and name  HB1) ( resid   49 and name HD1#) 3.0 1.2 2.0
assign ( resid   49 and name  HB2) ( resid   49 and name HD1#) 2.4 0.6 1.8
assign ( resid   49 and name  HB1) ( resid   49 and name HD2#) 2.4 0.6 1.8
assign ( resid   49 and name   HA) ( resid   49 and name HD2#) 4.0 1.7 2.5

assign ( resid   12 and name HG2#) ( resid   50 and name  HB2) 3.0 1.2 2.0
assign ( resid   13 and name  HD#) ( resid   50 and name   HN) 4.0 1.7 2.0

assign ( resid   40 and name   HA) ( resid   50 and name   HA) 2.4 0.6 0.3
assign ( resid   40 and name HG11) ( resid   50 and name   HA) 4.0 1.7 1.0
assign ( resid   40 and name HG12) ( resid   50 and name   HA) 4.0 1.7 1.0
assign ( resid   40 and name HG1#)  ( resid   50 and name   HN) 4.0 1.7 2.0
assign ( resid   40 and name HG#)  ( resid   50 and name  HB1) 3.0 1.2 1.5
assign ( resid   40 and name HG2#) ( resid   50 and name   HA) 3.0 1.2 2.0

assign ( resid   49 and name   HA) ( resid   50 and name   HN) 2.4 0.6 0.3
assign ( resid   49 and name  HB1) ( resid   50 and name   HN) 3.0 1.2 0.5
assign ( resid   49 and name HD1#) ( resid   50 and name   HN) 4.0 1.7 2.5
assign ( resid   49 and name HD2#) ( resid   50 and name   HN) 4.0 1.7 2.5

assign ( resid   50 and name   HA) ( resid   50 and name   HN) 3.0 1.2 0.5
assign ( resid   50 and name  HB1) ( resid   50 and name   HN) 3.0 1.2 0.5
assign ( resid   50 and name  HB2) ( resid   50 and name   HN) 3.0 1.2 0.5
assign ( resid   50 and name  HB1) ( resid   50 and name   HA) 3.0 1.2 0.5
assign ( resid   50 and name  HB2) ( resid   50 and name   HA) 2.4 0.6 0.3

assign ( resid   12 and name   HB) ( resid   51 and name   HA) 3.0 1.2 0.5
assign ( resid   13 and name  HB1) ( resid   51 and name   HA) 4.0 1.7 1.0
assign ( resid   13 and name  HB2) ( resid   51 and name   HA) 4.0 1.7 1.0
assign ( resid   13 and name  HD#) ( resid   51 and name HD1#) 3.0 1.2 3.0

assign ( resid   39 and name   HB) ( resid   51 and name   HN) 3.0 1.2 0.5
assign ( resid   39 and name HG2#) ( resid   51 and name   HN) 3.0 1.2 2.0
assign ( resid   40 and name   HA) ( resid   51 and name   HN) 3.0 1.2 0.5

assign ( resid   50 and name   HN) ( resid   51 and name   HN) 4.0 1.7 1.0
assign ( resid   50 and name   HA) ( resid   51 and name   HN) 2.4 0.6 0.3
assign ( resid   50 and name  HB1) ( resid   51 and name   HN) 3.0 1.2 0.5
assign ( resid   50 and name  HB2) ( resid   51 and name   HN) 3.0 1.2 0.5

assign ( resid   51 and name   HA) ( resid   51 and name   HN) 3.0 1.2 0.5
assign ( resid   51 and name  HB1) ( resid   51 and name   HN) 3.0 1.2 0.5
assign ( resid   51 and name  HB2) ( resid   51 and name   HN) 3.0 1.2 0.5
assign ( resid   51 and name HD1#) ( resid   51 and name   HN) 3.0 1.2 2.0
assign ( resid   51 and name HD2#) ( resid   51 and name   HN) 3.0 1.2 2.0
assign ( resid   51 and name  HB2) ( resid   51 and name   HA) 3.0 1.2 0.5
assign ( resid   51 and name   HG) ( resid   51 and name   HA) 3.0 1.2 0.5
assign ( resid   51 and name HD1#) ( resid   51 and name   HA) 2.4 0.6 1.8
assign ( resid   51 and name HD2#) ( resid   51 and name   HA) 3.0 1.2 2.0

assign ( resid   12 and name HG2#) ( resid   52 and name   HA) 3.0 1.2 2.0
assign ( resid   12 and name HG2#) ( resid   52 and name   HN) 3.0 1.2 2.0
assign ( resid   12 and name   HB) ( resid   52 and name   HN) 3.0 1.2 0.5

assign ( resid   51 and name   HA) ( resid   52 and name   HN) 2.4 0.6 0.3
assign ( resid   51 and name  HB1) ( resid   52 and name   HN) 3.0 1.2 0.5
assign ( resid   51 and name  HB2) ( resid   52 and name   HN) 3.0 1.2 0.5

assign ( resid   52 and name  HB1) ( resid   52 and name   HN) 3.0 1.2 0.5
assign ( resid   52 and name  HB2) ( resid   52 and name   HN) 3.0 1.2 0.5
assign ( resid   52 and name  HB2) ( resid   52 and name   HA) 3.0 1.2 0.5

assign ( resid   53 and name  HD1) ( resid   52 and name   HA) 2.4 0.6 0.3
assign ( resid   53 and name  HD2) ( resid   52 and name   HA) 2.4 0.6 0.3

assign ( resid   58 and name HG1#) ( resid   52 and name   HN) 4.0 1.7 2.5
assign ( resid   58 and name HG2#) ( resid   52 and name   HN) 3.0 1.2 2.0

assign ( resid   53 and name  HB1) ( resid   53 and name  HA) 2.4 0.6 0.3
assign ( resid   53 and name  HB2) ( resid   53 and name  HA) 3.0 1.2 0.5

assign ( resid   52 and name  HB2) ( resid   54 and name   HN) 4.0 1.7 1.0

assign ( resid   54 and name   HA) ( resid   54 and name   HN) 2.4 0.6 0.3
assign ( resid   54 and name   HB#) ( resid   54 and name   HN) 3.0 1.2 1.0
assign ( resid   54 and name   HG#) ( resid   54 and name   HN) 3.0 1.2 1.5

assign ( resid   52 and name  HB#) ( resid   55 and name   HN) 4.0 1.7 2.0

assign ( resid   54 and name   HA) ( resid   55 and name   HN) 3.0 1.2 0.5
assign ( resid   54 and name   HN) ( resid   55 and name   HN) 2.4 0.6 0.3
assign ( resid   54 and name  HB1) ( resid   55 and name   HN) 3.0 1.2 0.5
assign ( resid   54 and name  HB2) ( resid   55 and name   HN) 3.0 1.2 0.5
assign ( resid   54 and name  HG#) ( resid   55 and name   HN) 4.0 1.7 2.0

assign ( resid   55 and name   HA) ( resid   55 and name   HN) 3.0 1.2 0.5
assign ( resid   55 and name  HB2) ( resid   55 and name   HN) 3.0 1.2 0.5
assign ( resid   55 and name  HB1) ( resid   55 and name   HN) 3.0 1.2 0.5
assign ( resid   55 and name  HG1) ( resid   55 and name   HN) 3.0 1.2 1.0
assign ( resid   55 and name  HG2) ( resid   55 and name   HN) 3.0 1.2 1.0
assign ( resid   55 and name  HB1) ( resid   55 and name   HA) 3.0 1.2 0.5
assign ( resid   55 and name  HB2) ( resid   55 and name   HA) 3.0 1.2 0.5

assign ( resid   58 and name HG2#) ( resid   55 and name   HN) 4.0 1.7 2.5
assign ( resid   58 and name HG1#) ( resid   55 and name   HN) 4.0 1.7 2.5

assign ( resid   55 and name   HN) ( resid   56 and name   HN) 4.0 1.7 1.0
assign ( resid   55 and name  HB1) ( resid   56 and name   HN) 4.0 1.7 1.0
assign ( resid   55 and name  HB2) ( resid   56 and name   HN) 3.0 1.2 0.5

assign ( resid   56 and name  HB1) ( resid   56 and name   HN) 3.0 1.2 0.5
assign ( resid   56 and name  HB2) ( resid   56 and name   HN) 3.0 1.2 0.5
assign ( resid   56 and name  HB1) ( resid   56 and name   HA) 2.4 0.6 0.3
assign ( resid   56 and name  HB2) ( resid   56 and name   HA) 2.4 0.6 0.3

assign ( resid   14 and name   HA) ( resid   57 and name  HE1) 3.0 1.2 0.5
assign ( resid   14 and name   HA) ( resid   57 and name  HZ2) 3.0 1.2 0.5
assign ( resid   14 and name  HB#) ( resid   57 and name  HZ2) 4.0 1.7 2.0

assign ( resid   16 and name  HB#) ( resid   57 and name  HE3) 3.0 1.2 1.5
assign ( resid   16 and name  HB2) ( resid   57 and name  HE1) 4.0 1.7 1.0
assign ( resid   16 and name  HD1) ( resid   57 and name  HD1) 4.0 1.7 1.0
assign ( resid   16 and name  HD1) ( resid   57 and name  HE1) 4.0 1.7 1.0
assign ( resid   16 and name  HB1) ( resid   57 and name  HD1) 4.0 1.7 1.5
assign ( resid   16 and name  HD1) ( resid   57 and name  HZ2) 4.0 1.7 1.0
assign ( resid   16 and name  HB1) ( resid   57 and name  HD1) 4.0 1.7 1.0
assign ( resid   16 and name  HB2) ( resid   57 and name  HD1) 4.0 1.7 1.0
assign ( resid   16 and name  HA) ( resid   57 and name  HE1) 4.0 1.7 1.0
assign ( resid   16 and name  HA) ( resid   57 and name  HE3) 3.0 1.2 0.5
assign ( resid   16 and name  HA) ( resid   57 and name  HH2) 3.0 1.2 0.5
assign ( resid   16 and name  HA) ( resid   57 and name  HZ2) 3.0 1.2 0.5
assign ( resid   16 and name  HA) ( resid   57 and name  HZ3) 3.0 1.2 0.5

assign ( resid   17 and name  HB2) ( resid   57 and name  HZ3) 4.0 1.7 2.0
assign ( resid   17 and name  HD#) ( resid   57 and name  HZ3) 4.0 1.7 2.0

assign ( resid   51 and name HD1#) ( resid   57 and name  HH2) 3.0 1.2 2.0
assign ( resid   51 and name HD1#) ( resid   57 and name  HZ3) 4.0 1.7 2.5
assign ( resid   51 and name HD2#) ( resid   57 and name  HH2) 3.0 1.2 2.0
assign ( resid   51 and name HD2#) ( resid   57 and name  HZ3) 4.0 1.7 2.5

assign ( resid   55 and name   HN) ( resid   57 and name   HN) 4.0 1.7 1.0
assign ( resid   55 and name  HB2) ( resid   57 and name   HN) 3.0 1.2 0.5
assign ( resid   55 and name  HB1) ( resid   57 and name   HN) 4.0 1.7 1.0
assign ( resid   55 and name  HG1) ( resid   57 and name   HN) 4.0 1.7 1.5
assign ( resid   55 and name  HB2) ( resid   57 and name  HD1) 3.0 1.2 0.5
assign ( resid   55 and name  HB1) ( resid   57 and name  HD1) 2.4 0.6 0.3
assign ( resid   55 and name  HB2) ( resid   57 and name  HE1) 3.0 1.2 0.5
assign ( resid   55 and name  HB1) ( resid   57 and name  HE1) 4.0 1.7 1.0
assign ( resid   55 and name  HG2) ( resid   57 and name  HD1) 3.0 1.2 1.0
assign ( resid   55 and name  HG1) ( resid   57 and name  HD1) 3.0 1.2 1.0
assign ( resid   55 and name  HG1) ( resid   57 and name  HE1) 3.0 1.2 1.0
assign ( resid   55 and name  HG2) ( resid   57 and name  HE1) 4.0 1.7 1.5

assign ( resid   56 and name  HB1) ( resid   57 and name   HN) 3.0 1.2 0.5
assign ( resid   56 and name  HB2) ( resid   57 and name   HN) 3.0 1.2 0.5
assign ( resid   56 and name  HB#) ( resid  57 and name  HD1) 4.0 1.7 2.0

assign ( resid   57 and name   HA) ( resid   57 and name   HN) 2.4 0.6 0.3
assign ( resid   57 and name  HB1) ( resid   57 and name   HN) 3.0 1.2 0.5
assign ( resid   57 and name  HB2) ( resid   57 and name   HN) 3.0 1.2 0.5
assign ( resid   57 and name  HD1) ( resid   57 and name   HN) 3.0 1.2 0.5
assign ( resid   57 and name  HB1) ( resid   57 and name   HA) 2.4 0.6 0.3
assign ( resid   57 and name  HB2) ( resid   57 and name   HA) 2.4 0.6 0.3
assign ( resid   57 and name  HB2) ( resid   57 and name  HD1) 3.0 1.2 0.5
assign ( resid   57 and name  HB1) ( resid   57 and name  HD1) 3.0 1.2 0.5
assign ( resid   57 and name  HB1) ( resid   57 and name  HE1) 4.0 1.7 1.0
assign ( resid   57 and name  HB2) ( resid   57 and name  HE1) 4.0 1.7 1.0
assign ( resid   57 and name   HA) ( resid   57 and name  HE3) 4.0 1.7 1.0
assign ( resid   57 and name  HB1) ( resid   57 and name  HE3) 4.0 1.7 1.0
assign ( resid   57 and name  HB2) ( resid   57 and name  HE3) 3.0 1.2 0.5

assign ( resid   58 and name   HA) ( resid   57 and name  HE3) 3.0 1.2 0.5
assign ( resid   58 and name   HA) ( resid   57 and name  HZ3) 4.0 1.7 1.0
assign ( resid   58 and name   HB) ( resid   57 and name  HZ3) 4.0 1.7 1.5
assign ( resid   58 and name   HN) ( resid   57 and name  HD1) 3.0 1.2 0.5
assign ( resid   58 and name   HN) ( resid   57 and name  HE1) 4.0 1.7 1.0
assign ( resid   58 and name   HN) ( resid   57 and name   HN) 3.0 1.2 0.5
assign ( resid   58 and name HG2#) ( resid   57 and name   HN) 4.0 1.7 2.5
assign ( resid   58 and name HG2#) ( resid   57 and name  HE1) 3.0 1.2 2.0

assign ( resid   61 and name   HB) ( resid   57 and name  HE3) 4.0 1.7 1.0
assign ( resid   61 and name HG1#) ( resid   57 and name  HE3) 3.0 1.2 2.0
assign ( resid   61 and name HG1#) ( resid   57 and name  HZ3) 3.0 1.2 2.0
assign ( resid   61 and name HG2#) ( resid   57 and name  HE3) 2.4 0.6 1.8
assign ( resid   61 and name HG2#) ( resid   57 and name  HH2) 4.0 1.7 2.5
assign ( resid   61 and name HG2#) ( resid   57 and name  HZ3) 3.0 1.2 2.0

assign ( resid   39 and name HD1#) ( resid   58 and name HG2#) 3.0 1.2 3.5

assign ( resid   51 and name   HA) ( resid   58 and name HG1#) 4.0 1.7 2.5
assign ( resid   51 and name  HB#) ( resid   58 and name HG1#) 3.0 1.2 3.0
assign ( resid   51 and name  HB#) ( resid   58 and name HG2#) 3.0 1.2 3.0
assign ( resid   51 and name HD1#) ( resid   58 and name HG2#) 3.0 1.2 3.5
assign ( resid   51 and name HD2#) ( resid   58 and name HG2#) 3.0 1.2 3.5
assign ( resid   51 and name HD2#) ( resid   58 and name HG1#) 3.0 1.2 3.5

assign ( resid   55 and name  HB1) ( resid   58 and name   HN) 3.0 1.2 0.5
assign ( resid   55 and name  HB2) ( resid   58 and name   HN) 3.0 1.2 0.5
assign ( resid   55 and name  HB1) ( resid   58 and name HG2#) 3.0 1.2 2.0
assign ( resid   55 and name  HB2) ( resid   58 and name HG2#) 3.0 1.2 2.0
assign ( resid   55 and name  HG#) ( resid   58 and name   HA) 4.0 1.7 3.5
assign ( resid   55 and name  HG1) ( resid   58 and name HG2#) 4.0 1.7 2.5
assign ( resid   55 and name  HG2) ( resid   58 and name HG2#) 4.0 1.7 2.5
assign ( resid   55 and name  HG#) ( resid   58 and name HG1#) 4.0 1.7 3.5

assign ( resid   56 and name   HN) ( resid   58 and name   HN) 4.0 1.7 1.0

assign ( resid   57 and name   HN) ( resid   58 and name   HN) 4.0 1.7 1.0
assign ( resid   57 and name   HA) ( resid   58 and name   HN) 3.0 1.2 0.5
assign ( resid   57 and name  HB1) ( resid   58 and name   HN) 4.0 1.7 1.0
assign ( resid   57 and name  HB2) ( resid   58 and name   HN) 4.0 1.7 1.0
assign ( resid   57 and name  HD1) ( resid   58 and name   HN) 4.0 1.7 1.0
assign ( resid   57 and name  HE3) ( resid   58 and name   HN) 4.0 1.7 1.0
assign ( resid   57 and name  HD1) ( resid   58 and name HG2#) 4.0 1.7 2.5
assign ( resid   57 and name  HH2) ( resid   58 and name HG2#) 4.0 1.7 2.5
assign ( resid   57 and name  HE3) ( resid   58 and name HG2#) 4.0 1.7 2.5
assign ( resid   57 and name  HE3) ( resid   58 and name   HA) 4.0 1.7 1.0
assign ( resid   57 and name  HZ2) ( resid   58 and name HG2#) 3.0 1.2 2.0
assign ( resid   57 and name  HZ3) ( resid   58 and name HG2#) 4.0 1.7 2.5

assign ( resid   58 and name   HA) ( resid   58 and name   HN) 3.0 1.2 0.5
assign ( resid   58 and name   HB) ( resid   58 and name   HN) 2.4 0.6 0.8
assign ( resid   58 and name   HB) ( resid   58 and name   HA) 3.0 1.2 0.5
assign ( resid   58 and name HG1#) ( resid   58 and name   HN) 3.0 1.2 2.0
assign ( resid   58 and name HG2#) ( resid   58 and name   HN) 2.4 0.6 1.8
assign ( resid   58 and name   HA) ( resid   58 and name HG1#) 3.0 1.2 1.6
assign ( resid   58 and name   HA) ( resid   58 and name HG2#) 2.4 0.6 1.4

assign ( resid   59 and name   HA) ( resid   58 and name HG1#) 4.0 1.7 2.5
assign ( resid   59 and name  HB1) ( resid   58 and name HG1#) 3.0 1.2 2.0
assign ( resid   59 and name  HB2) ( resid   58 and name HG1#) 4.0 1.7 2.5

assign ( resid   62 and name HG2#) ( resid   58 and name HG1#) 3.0 1.2 3.5
assign ( resid   61 and name HG2#) ( resid   58 and name   HA) 4.0 1.7 2.5

assign ( resid   56 and name   HA) ( resid   59 and name   HN) 3.0 1.2 0.5
assign ( resid   57 and name   HN) ( resid   59 and name   HN) 4.0 1.7 1.0

assign ( resid   58 and name   HN) ( resid   59 and name   HN) 2.4 0.6 0.3
assign ( resid   58 and name   HA) ( resid   59 and name   HN) 4.0 1.7 1.0
assign ( resid   58 and name   HB) ( resid   59 and name   HN) 2.4 0.6 0.3
assign ( resid   58 and name HG2#) ( resid   59 and name   HN) 4.0 1.7 2.5
assign ( resid   58 and name HG1#) ( resid   59 and name   HN) 4.0 1.7 2.5

assign ( resid   59 and name   HA) ( resid   59 and name   HN) 3.0 1.2 0.5
assign ( resid   59 and name  HB1) ( resid   59 and name   HN) 3.0 1.2 0.5
assign ( resid   59 and name  HB2) ( resid   59 and name   HN) 3.0 1.2 0.5
assign ( resid   59 and name  HG1) ( resid   59 and name   HN) 3.0 1.2 0.5
assign ( resid   59 and name  HG2) ( resid   59 and name   HN) 3.0 1.2 0.5
assign ( resid   59 and name  HB1) ( resid   59 and name   HA) 3.0 1.2 0.5
assign ( resid   59 and name  HG1) ( resid   59 and name   HA) 3.0 1.2 0.5
assign ( resid   59 and name  HG2) ( resid   59 and name   HA) 3.0 1.2 0.5

assign ( resid   61 and name   HN) ( resid   59 and name   HN) 4.0 1.7 1.0
assign ( resid   61 and name HG2#) ( resid   59 and name   HN) 4.0 1.7 2.5

assign ( resid   57 and name   HA) ( resid   60 and name   HN) 3.0 1.2 0.5
assign ( resid   58 and name   HA) ( resid   60 and name   HN) 4.0 1.7 1.0
assign ( resid   58 and name   HN) ( resid   60 and name   HN) 4.0 1.7 1.0

assign ( resid   59 and name   HA) ( resid   60 and name   HN) 3.0 1.2 0.5
assign ( resid   59 and name   HN) ( resid   60 and name   HN) 3.0 1.2 0.5
assign ( resid   59 and name  HB#) ( resid   60 and name   HN) 3.0 1.2 1.5
assign ( resid   59 and name  HG1) ( resid   60 and name   HN) 4.0 1.7 1.0
assign ( resid   59 and name  HG2) ( resid   60 and name   HN) 4.0 1.7 1.0

assign ( resid   60 and name   HA) ( resid   60 and name   HN) 3.0 1.2 0.5
assign ( resid   60 and name  HB1) ( resid   60 and name   HN) 3.0 1.2 0.5
assign ( resid   60 and name  HB2) ( resid   60 and name   HN) 3.0 1.2 0.5
assign ( resid   60 and name  HB1) ( resid   60 and name   HA) 3.0 1.2 0.5
assign ( resid   60 and name  HB2) ( resid   60 and name   HA) 3.0 1.2 0.5
assign ( resid   60 and name  HD#) ( resid   60 and name   HA) 3.0 1.2 1.5

assign ( resid   61 and name HG1#) ( resid   60 and name   HN) 4.0 1.7 2.5

assign ( resid   57 and name  HB1) ( resid   61 and name   HN) 4.0 1.7 1.5
assign ( resid   57 and name  HB2) ( resid   61 and name   HN) 4.0 1.7 1.5
assign ( resid   58 and name   HA) ( resid   61 and name   HN) 3.0 1.2 0.5

assign ( resid   60 and name   HA) ( resid   61 and name   HN) 4.0 1.7 1.0
assign ( resid   60 and name   HN) ( resid   61 and name   HN) 3.0 1.2 0.5
assign ( resid   60 and name  HB1) ( resid   61 and name   HN) 3.0 1.2 0.5
assign ( resid   60 and name  HB2) ( resid   61 and name   HN) 3.0 1.2 0.5
assign ( resid   60 and name  HG#) ( resid   61 and name   HN) 4.0 1.7 2.0

assign ( resid   61 and name   HA) ( resid   61 and name   HN) 3.0 1.2 0.5
assign ( resid   61 and name   HB) ( resid   61 and name   HN) 2.4 0.6 0.3
assign ( resid   61 and name HG1#) ( resid   61 and name   HN) 4.0 1.7 2.5
assign ( resid   61 and name HG2#) ( resid   61 and name   HN) 3.0 1.2 2.0
assign ( resid   61 and name   HB) ( resid   61 and name   HA) 3.0 1.2 0.5
assign ( resid   61 and name HG1#) ( resid   61 and name   HA) 2.4 0.6 1.4
assign ( resid   61 and name HG2#) ( resid   61 and name   HA) 3.0 1.2 1.6

assign ( resid   64 and name  HB1) ( resid   61 and name   HA) 3.0 1.2 0.5
assign ( resid   64 and name  HB2) ( resid   61 and name   HA) 3.0 1.2 0.5

assign ( resid   25 and name HD1#) ( resid   62 and name   HN) 4.0 1.7 2.5
assign ( resid   25 and name HD2#) ( resid   62 and name   HN) 4.0 1.7 2.5

assign ( resid   58 and name   HA) ( resid   62 and name   HN) 4.0 1.7 1.0
assign ( resid   58 and name HG1#) ( resid   62 and name   HN) 4.0 1.7 2.5

assign ( resid   59 and name   HA) ( resid   62 and name   HN) 3.0 1.2 0.5
assign ( resid   60 and name   HN) ( resid   62 and name   HN) 4.0 1.7 1.0
assign ( resid   60 and name   HA) ( resid   62 and name   HN) 4.0 1.7 1.0
assign ( resid   60 and name  HB#) ( resid   62 and name   HN) 4.0 1.7 2.0

assign ( resid   61 and name   HN) ( resid   62 and name   HN) 2.4 0.6 0.3
assign ( resid   61 and name   HA) ( resid   62 and name   HN) 3.0 1.2 0.5
assign ( resid   61 and name   HB) ( resid   62 and name   HN) 3.0 1.2 0.5
assign ( resid   61 and name HG2#) ( resid   62 and name   HN) 3.0 1.2 2.0

assign ( resid   62 and name   HA) ( resid   62 and name   HN) 3.0 1.2 0.5
assign ( resid   62 and name   HB) ( resid   62 and name   HN) 2.4 0.6 0.3
assign ( resid   62 and name   HB) ( resid   62 and name   HA) 3.0 1.2 0.5

assign ( resid   59 and name   HA) ( resid   63 and name   HN) 4.0 1.7 1.0
assign ( resid   60 and name   HA) ( resid   63 and name   HN) 3.0 1.2 0.5
assign ( resid   61 and name   HA) ( resid   63 and name   HN) 4.0 1.7 1.0

assign ( resid   62 and name   HN) ( resid   63 and name   HN) 3.0 1.2 0.5
assign ( resid   62 and name   HA) ( resid   63 and name   HN) 4.0 1.7 1.0
assign ( resid   62 and name  HG#) ( resid   63 and name   HA) 3.0 1.2 3.5
assign ( resid   62 and name  HG#) ( resid   63 and name   HN) 3.0 1.2 3.5

assign ( resid   63 and name   HA) ( resid   63 and name   HN) 2.4 0.6 0.3
assign ( resid   63 and name  HB1) ( resid   63 and name   HN) 3.0 1.2 0.5
assign ( resid   63 and name  HB2) ( resid   63 and name   HN) 3.0 1.2 0.5
assign ( resid   63 and name  HB1) ( resid   63 and name   HA) 3.0 1.2 0.5
assign ( resid   63 and name  HB2) ( resid   63 and name   HA) 3.0 1.2 0.5
assign ( resid   63 and name  HG1) ( resid   63 and name   HA) 3.0 1.2 0.5
assign ( resid   63 and name  HG2) ( resid   63 and name   HA) 3.0 1.2 0.5

assign ( resid   66 and name  HB#) ( resid   63 and name   HA) 3.0 1.2 1.5
assign ( resid   66 and name  HG#) ( resid   63 and name   HA) 4.0 1.7 2.0

assign ( resid   61 and name   HA) ( resid   64 and name   HN) 3.0 1.2 0.5

assign ( resid   63 and name   HN) ( resid   64 and name   HN) 3.0 1.2 0.5
assign ( resid   63 and name   HA) ( resid   64 and name   HN) 4.0 1.7 1.0
assign ( resid   63 and name  HB1) ( resid   64 and name   HN) 3.0 1.2 0.5
assign ( resid   63 and name  HB2) ( resid   64 and name   HN) 3.0 1.2 0.5

assign ( resid   64 and name   HA) ( resid   64 and name   HN) 2.4 0.6 0.3
assign ( resid   64 and name  HB1) ( resid   64 and name   HN) 3.0 1.2 0.5
assign ( resid   64 and name  HB2) ( resid   64 and name   HN) 3.0 1.2 0.5
assign ( resid   64 and name  HG1) ( resid   64 and name   HN) 4.0 1.7 1.0
assign ( resid   64 and name  HG2) ( resid   64 and name   HN) 4.0 1.7 1.0

assign ( resid   19 and name  HB2) ( resid   65 and name  HD#) 3.0 1.2 1.5
assign ( resid   19 and name  HB2) ( resid   65 and name  HE#) 3.0 1.2 1.5
assign ( resid   19 and name  HG#) ( resid   65 and name  HD#) 3.0 1.2 2.5

assign ( resid   22 and name   HB) ( resid   65 and name  HD#) 3.0 1.2 1.5
assign ( resid   22 and name   HB) ( resid   65 and name  HE#) 3.0 1.2 1.5
assign ( resid   22 and name HG2#) ( resid   65 and name  HD#) 4.0 1.7 3.5
assign ( resid   24 and name   HA) ( resid   65 and name  HE#) 4.0 1.7 2.5
assign ( resid   25 and name   HN#) ( resid   65 and name  HE#) 2.4 0.6 2.8
assign ( resid   25 and name  HB2) ( resid   65 and name  HD#) 4.0 1.7 2.0
assign ( resid   25 and name HD1#) ( resid   65 and name  HD#) 3.0 1.2 4.5
assign ( resid   25 and name HD2#) ( resid   65 and name  HD#) 3.0 1.2 4.5

assign ( resid   61 and name HG1#) ( resid   65 and name  HE#) 4.0 1.2 3.5
assign ( resid   61 and name HG1#) ( resid   65 and name  HD#) 4.0 1.2 3.5
assign ( resid   62 and name   HA) ( resid   65 and name   HN) 3.0 1.2 0.5
assign ( resid   62 and name  HG#) ( resid   65 and name   HN) 3.0 1.2 3.5
assign ( resid   62 and name   HA) ( resid   65 and name  HD#) 4.0 1.7 2.0

assign ( resid   63 and name   HN) ( resid   65 and name   HN) 4.0 1.7 1.0
assign ( resid   64 and name   HN) ( resid   65 and name   HN) 3.0 1.2 0.5

assign ( resid   65 and name  HB1) ( resid   65 and name   HN) 2.4 0.6 0.3
assign ( resid   65 and name  HB2) ( resid   65 and name   HN) 3.0 1.2 0.5
assign ( resid   65 and name  HD#) ( resid   65 and name   HN) 3.0 1.2 1.5
assign ( resid   65 and name  HB1) ( resid   65 and name   HA) 3.0 1.2 0.5
assign ( resid   65 and name  HB2) ( resid   65 and name   HA) 3.0 1.2 0.5
assign ( resid   65 and name   HA) ( resid   65 and name  HD#) 3.0 1.2 1.5
assign ( resid   65 and name  HB1) ( resid   65 and name  HD#) 3.0 1.2 1.5
assign ( resid   65 and name  HB2) ( resid   65 and name  HD#) 3.0 1.2 1.5

assign ( resid   62 and name   HA) ( resid   66 and name   HN) 4.0 1.7 1.0
assign ( resid   63 and name   HA) ( resid   66 and name   HN) 3.0 1.2 0.5
assign ( resid   64 and name   HN) ( resid   66 and name   HN) 4.0 1.7 1.0

assign ( resid   65 and name   HN) ( resid   66 and name   HN) 3.0 1.2 0.5
assign ( resid   65 and name  HB1) ( resid   66 and name   HN) 3.0 1.2 0.5
assign ( resid   65 and name  HB2) ( resid   66 and name   HN) 3.0 1.2 0.5
assign ( resid   65 and name  HD#) ( resid   66 and name   HN) 4.0 1.7 2.0

assign ( resid   66 and name   HA) ( resid   66 and name HD2#) 4.0 1.7 2.5
assign ( resid   66 and name  HB2) ( resid   66 and name HD2#) 3.0 1.2 2.0

assign ( resid   63 and name   HA) ( resid   67 and name   HN) 3.0 1.2 0.5
assign ( resid   64 and name   HA) ( resid   67 and name   HN) 4.0 1.7 1.0

assign ( resid   66 and name   HN) ( resid   67 and name   HN) 2.4 0.6 0.3

assign ( resid   67 and name  HB#) ( resid   67 and name   HN) 2.4 0.6 1.3
assign ( resid   67 and name  HD#) ( resid   67 and name   HA) 2.4 0.6 1.3

assign ( resid   68 and name   HA) ( resid   68 and name   HN) 3.0 1.2 0.5
assign ( resid   68 and name  HB#) ( resid   68 and name   HN) 3.0 1.2 1.5
assign ( resid   68 and name  HG#) ( resid   68 and name   HN) 3.0 1.2 1.5

assign ( resid   68 and name   HN) ( resid   69 and name   HN) 4.0 1.7 1.0
assign ( resid   68 and name   HA) ( resid   69 and name   HN) 2.4 0.6 0.3
assign ( resid   68 and name   HB1) ( resid   69 and name   HN) 3.0 1.2 0.5
assign ( resid   68 and name   HB2) ( resid   69 and name   HN) 3.0 1.2 0.5
assign ( resid   69 and name  HB#) ( resid   69 and name   HN) 2.4 0.6 1.8

assign ( resid   69 and name  HB#) ( resid   70 and name   HN) 4.0 1.7 2.5
assign ( resid   70 and name  HB1) ( resid   70 and name   HN) 4.0 1.7 1.0
assign ( resid   70 and name  HB2) ( resid   70 and name   HN) 4.0 1.7 1.0

assign ( resid   70 and name  HB2) ( resid   71 and name   HN) 2.4 0.6 0.3
assign ( resid   71 and name   HA) ( resid   71 and name   HN) 3.0 1.2 0.5
assign ( resid   71 and name  HB#) ( resid   71 and name   HA) 4.0 1.7 2.0

assign ( resid   71 and name   HA) ( resid   72 and name   HN) 4.0 1.7 1.0
assign ( resid   72 and name  HB#) ( resid   72 and name   HA) 3.0 1.2 1.5
assign ( resid   72 and name  HB#) ( resid   72 and name   HN) 4.0 1.7 2.0

!DIHEDRAL RESTRAINTS
!! PHI RESTRAINTS: MINIMUM DEVIATION = 30 DEGREES

  !!    7 
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -80.0 30.0 2
  !!    9 
 assign (resid   8 and name c )   (resid   9 and name n ) 
        (resid   9 and name ca)   (resid   9 and name c )  1.0 -110.0 30.0 2
  !!    10
 assign (resid   9 and name c )   (resid   10 and name n ) 
        (resid   10 and name ca)   (resid   10 and name c )  1.0 -95.0 30.0 2
  !!    12
 assign (resid   11 and name c )   (resid   12 and name n ) 
        (resid   12 and name ca)   (resid   12 and name c )  1.0 -120.0 30.0 2
  !!    17
 assign (resid   16 and name c )   (resid   17 and name n ) 
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -130.0 40.0 2
  !!    18 
 assign (resid   17 and name c )   (resid   18 and name n ) 
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -80.0 30.0 2
  !!    22
 assign (resid   21 and name c )   (resid   22 and name n ) 
        (resid   22 and name ca)   (resid   22 and name c )  1.0 -80.0 30.0 2
  !!    23 
 assign (resid   22 and name c )   (resid   23 and name n ) 
        (resid   23 and name ca)   (resid   23 and name c )  1.0 -100 30.0 2
  !!    24 
 assign (resid   23 and name c )   (resid   24 and name n ) 
        (resid   24 and name ca)   (resid   24 and name c )  1.0 -165.0 30.0 2
  !!    26 
 assign (resid   25 and name c )   (resid   26 and name n ) 
        (resid   26 and name ca)   (resid   26 and name c )  1.0 -130.0 30.0 2
  !!    27 
 assign (resid   26 and name c )   (resid   27 and name n ) 
        (resid   27 and name ca)   (resid   27 and name c )  1.0 -100.0 30.0 2
  !!    28 
 assign (resid   27 and name c )   (resid   28 and name n ) 
        (resid   28 and name ca)   (resid   28 and name c )  1.0 -110.0 30.0 2
  !!    29
 assign (resid   28 and name c )   (resid   29 and name n ) 
        (resid   29 and name ca)   (resid   29 and name c )  1.0 -80.0 30.0 2
  !!    30
 assign (resid   29 and name c )   (resid   30 and name n ) 
        (resid   30 and name ca)   (resid   30 and name c )  1.0 -80.0 30.0 2
  !!    34 
 assign (resid   33 and name c )   (resid   34 and name n ) 
        (resid   34 and name ca)   (resid   34 and name c )  1.0 -150.0 30.0 2
  !!    35 
 assign (resid   34 and name c )   (resid   35 and name n ) 
        (resid   35 and name ca)   (resid   35 and name c )  1.0 -70.0 30.0 2
  !!    36 
 assign (resid   35 and name c )   (resid   36 and name n ) 
        (resid   36 and name ca)   (resid   36 and name c )  1.0 -120.0 50.0 2
  !!    39 
 assign (resid   38 and name c )   (resid   39 and name n ) 
        (resid   39 and name ca)   (resid   39 and name c )  1.0 -110.0 40.0 2
  !!    40 
 assign (resid   39 and name c )   (resid   40 and name n ) 
        (resid   40 and name ca)   (resid   40 and name c )  1.0 -130.0 40.0 2
  !!    41 
 assign (resid   40 and name c )   (resid   41 and name n ) 
        (resid   41 and name ca)   (resid   41 and name c )  1.0 -110.0 40.0 2
  !!    42 
 assign (resid   41 and name c )   (resid   42 and name n ) 
        (resid   42 and name ca)   (resid   42 and name c )  1.0 -130.0 30.0 2
  !!    44 
 assign (resid   43 and name c )   (resid   44 and name n ) 
        (resid   44 and name ca)   (resid   44 and name c )  1.0 -80.0 30.0 2
  !!    47 
 assign (resid   46 and name c )   (resid   47 and name n ) 
        (resid   47 and name ca)   (resid   47 and name c )  1.0 -75.0 40.0 2
  !!    48
 assign (resid   47 and name c )   (resid   48 and name n ) 
        (resid   48 and name ca)   (resid   48 and name c )  1.0 -130.0 30.0 2
  !!    49 
 assign (resid   48 and name c )   (resid   49 and name n ) 
        (resid   49 and name ca)   (resid   49 and name c )  1.0 -120.0 30.0 2
  !!    50
 assign (resid   49 and name c )   (resid   50 and name n ) 
        (resid   50 and name ca)   (resid   50 and name c )  1.0 -105.0 40.0 2
  !!    51 
 assign (resid   50 and name c )   (resid   51 and name n ) 
        (resid   51 and name ca)   (resid   51 and name c )  1.0 -95.0 30.0 2
  !!    54 
 assign (resid   53 and name c )   (resid   54 and name n ) 
        (resid   54 and name ca)   (resid   54 and name c )  1.0 -80.0 30.0 2
  !!    55 
 assign (resid   54 and name c )   (resid   55 and name n ) 
        (resid   55 and name ca)   (resid   55 and name c )  1.0 -80.0 30.0 2
  !!    56 
 assign (resid   55 and name c )   (resid   56 and name n ) 
        (resid   56 and name ca)   (resid   56 and name c )  1.0 -80.0 30.0 2
  !!    57 
 assign (resid   56 and name c )   (resid   57 and name n ) 
        (resid   57 and name ca)   (resid   57 and name c )  1.0 -70.0 30.0 2
  !!    58 
 assign (resid   57 and name c )   (resid   58 and name n ) 
        (resid   58 and name ca)   (resid   58 and name c )  1.0 -85.0 30.0 2
  !!    59 
 assign (resid   58 and name c )   (resid   59 and name n ) 
        (resid   59 and name ca)   (resid   59 and name c )  1.0 -60.0 40.0 2
  !!    60 
 assign (resid   59 and name c )   (resid   60 and name n ) 
        (resid   60 and name ca)   (resid   60 and name c )  1.0 -70.0 30.0 2
  !!    61 
 assign (resid   60 and name c )   (resid   61 and name n ) 
        (resid   61 and name ca)   (resid   61 and name c )  1.0 -75.0 30.0 2
  !!    62 
 assign (resid   61 and name c )   (resid   62 and name n ) 
        (resid   62 and name ca)   (resid   62 and name c )  1.0 -75.0 30.0 2
  !!    63 
 assign (resid   62 and name c )   (resid   63 and name n ) 
        (resid   63 and name ca)   (resid   63 and name c )  1.0 -85.0 30.0 2
  !!    64 
 assign (resid   63 and name c )   (resid   64 and name n ) 
        (resid   64 and name ca)   (resid   64 and name c )  1.0 -75.0 30.0 2
  !!    65 
 assign (resid   64 and name c )   (resid   65 and name n ) 
        (resid   65 and name ca)   (resid   65 and name c )  1.0 -75.0 30.0 2
  !!    66 
 assign (resid   65 and name c )   (resid   66 and name n ) 
        (resid   66 and name ca)   (resid   66 and name c )  1.0 -75.0 30.0 2

!!chi
 !!7
assign ( resid 7 and name n)    ( resid 7 and name ca)
       ( resid 7 and name cb)   ( resid 7 and name sg) 1.0 -60.0 30.0 2
 !!9
assign ( resid 9 and name n)    ( resid 9 and name ca)
       ( resid 9 and name cb)   ( resid 9 and name sg) 1.0 -60.0 40.0 2
 !!34
assign ( resid 34 and name n)    ( resid 34 and name ca)
       ( resid 34 and name cb)   ( resid 34 and name sg) 1.0 180.0 40.0 2
 !!50
assign ( resid 50 and name n)    ( resid 50 and name ca)
       ( resid 50 and name cb)   ( resid 50 and name sg) 1.0 -60.0 40.0 2
  !!58
assign ( resid 58 and name n)    ( resid 58 and name ca)
       ( resid 58 and name cb)   ( resid 58 and name cg1) 1.0 180.0 30.0 2
  !!27
assign ( resid 27 and name n)    ( resid 27 and name ca)
       ( resid 27 and name cb)   ( resid 27 and name cg1) 1.0 -60.0 30.0 2
  !!61
assign ( resid 61 and name n)    ( resid 61 and name ca)
       ( resid 61 and name cb)   ( resid 61 and name cg1) 1.0 180.0 30.0 2
  !!10
assign ( resid 10 and name n)    ( resid 10 and name ca)
       ( resid 10 and name cb)   ( resid 10 and name cg1) 1.0 -60.0 30.0 2
  !!22
assign ( resid 22 and name n)    ( resid 22 and name ca)
       ( resid 22 and name cb)   ( resid 22 and name cg1) 1.0 -60.0 30.0 2
  !!28
assign ( resid 28 and name n)    ( resid 28 and name ca)
       ( resid 28 and name cb)   ( resid 28 and name cg1) 1.0 -60.0 30.0 2
  !!39
assign ( resid 39 and name n)    ( resid 39 and name ca)
       ( resid 39 and name cb)   ( resid 39 and name cg1) 1.0 -60.0 30.0 2
  !!40
assign ( resid 40 and name n)    ( resid 40 and name ca)
       ( resid 40 and name cb)   ( resid 40 and name cg1) 1.0 -60.0 30.0 2
  !!43
assign ( resid 43 and name n)    ( resid 43 and name ca)
       ( resid 43 and name cb)   ( resid 43 and name cg) 1.0 -60.0 30.0 2
  !!21
assign ( resid 21 and name n)    ( resid 21 and name ca)
       ( resid 21 and name cb)   ( resid 21 and name cg) 1.0 -60.0 30.0 2
  !!57
assign ( resid 57 and name n)    ( resid 57 and name ca)
       ( resid 57 and name cb)   ( resid 57 and name cg) 1.0 60.0 30.0 2
  !!37
assign ( resid 37 and name n)    ( resid 37 and name ca)
       ( resid 37 and name cb)   ( resid 37 and name og1) 1.0 -60.0 40.0 2
  !!12
assign ( resid 12 and name n)    ( resid 12 and name ca)
       ( resid 12 and name cb)   ( resid 12 and name og1) 1.0 60.0 40.0 2
  !!30
assign ( resid 30 and name n)    ( resid 30 and name ca)
       ( resid 30 and name cb)   ( resid 30 and name og) 1.0 60.0 30.0 2
  !!36
assign ( resid 36 and name n)    ( resid 36 and name ca)
       ( resid 36 and name cb)   ( resid 36 and name cg) 1.0 -60.0 30.0 2
  !!55
assign ( resid 55 and name n)    ( resid 55 and name ca)
       ( resid 55 and name cb)   ( resid 55 and name cg) 1.0 -60.0 30.0 2
  !!65
assign ( resid 65 and name n)    ( resid 65 and name ca)
       ( resid 65 and name cb)   ( resid 65 and name cg) 1.0 180.0 30.0 2
!H-BONDS
assign ( resid 39 and name  hn) ( resid 51 and name  o) 2.0 0.3 0.3
assign ( resid 40 and name  hn) ( resid 26 and name  o) 2.0 0.3 0.3
assign ( resid 41 and name  hn) ( resid 49 and name  o) 2.0 0.3 0.3
assign ( resid 42 and name  hn) ( resid 24 and name  o) 2.0 0.3 0.3
assign ( resid 43 and name  hn) ( resid 47 and name  o) 2.0 0.3 0.3
assign ( resid 47 and name  hn) ( resid 43 and name  o) 2.0 0.3 0.3
assign ( resid 49 and name  hn) ( resid 41 and name  o) 2.0 0.3 0.3
assign ( resid 51 and name  hn) ( resid 39 and name  o) 2.0 0.3 0.3
assign ( resid 55 and name  hn) ( resid 52 and name  o) 2.0 0.3 0.3
!
assign ( resid 61 and name  hn) ( resid 57 and name  o) 2.0 0.3 0.3
assign ( resid 62 and name  hn) ( resid 58 and name  o) 2.0 0.3 0.3
assign ( resid 63 and name  hn) ( resid 59 and name  o) 2.0 0.3 0.3
!
assign ( resid 61 and name  n) ( resid 57 and name  o) 3.0 0.5 0.3
assign ( resid 62 and name  n) ( resid 58 and name  o) 3.0 0.5 0.3
assign ( resid 63 and name  n) ( resid 59 and name  o) 3.0 0.5 0.3
!
assign ( resid 39 and name  hn) ( resid 51 and name  o) 3.0 0.5 0.3
assign ( resid 40 and name  hn) ( resid 26 and name  o) 3.0 0.5 0.3
assign ( resid 41 and name  hn) ( resid 49 and name  o) 3.0 0.5 0.3
assign ( resid 42 and name  hn) ( resid 24 and name  o) 3.0 0.5 0.3
assign ( resid 43 and name  hn) ( resid 47 and name  o) 3.0 0.5 0.3
assign ( resid 47 and name  hn) ( resid 43 and name  o) 3.0 0.5 0.3
assign ( resid 49 and name  hn) ( resid 41 and name  o) 3.0 0.5 0.3
assign ( resid 51 and name  hn) ( resid 39 and name  o) 3.0 0.5 0.3
assign ( resid 55 and name  hn) ( resid 52 and name  o) 3.0 0.5 0.3
!

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  595 H/Q atoms
  Start of MODEL    1
    1   1H    GLU   4          1H        GLU   4 -10.497  16.206  -9.435
    2   2H    GLU   4          3H        GLU   4 -11.780  16.566  -8.384
    3   3H    GLU   4          2H        GLU   4 -10.792  17.815  -8.978
    4    HA   GLU   4           HA       GLU   4  -8.934  17.090  -7.731
    5   1HB   GLU   4          2HB       GLU   4 -10.956  18.305  -6.595
    6   2HB   GLU   4          1HB       GLU   4 -11.217  16.756  -5.794
    7   1HG   GLU   4          2HG       GLU   4  -9.156  16.834  -4.683
    8   2HG   GLU   4          1HG       GLU   4  -8.476  18.000  -5.817
    9    H    LEU   5           H        LEU   5 -11.656  14.951  -6.749
   10    HA   LEU   5           HA       LEU   5 -11.707  12.664  -6.279
   11   1HB   LEU   5          2HB       LEU   5 -10.275  12.849  -8.588
   12   2HB   LEU   5          1HB       LEU   5  -9.079  12.097  -7.538
   13    HG   LEU   5           HG       LEU   5 -10.420  10.391  -8.707
   14   1HD1  LEU   5          1HD1      LEU   5  -9.590  10.040  -6.339
   15   2HD1  LEU   5          3HD1      LEU   5 -11.207  10.473  -5.783
   16   3HD1  LEU   5          2HD1      LEU   5 -10.975   9.045  -6.793
   17   1HD2  LEU   5          3HD2      LEU   5 -12.482  11.989  -8.728
   18   2HD2  LEU   5          2HD2      LEU   5 -12.764  10.257  -8.561
   19   3HD2  LEU   5          1HD2      LEU   5 -12.830  11.301  -7.142
   20    NH1  ARG   6           NH1      ARG   6 -14.180  11.099   0.844
   21    NH2  ARG   6           NH2      ARG   6 -15.501  12.917   0.530
   22    H    ARG   6           H        ARG   6 -11.379  13.057  -4.022
   23    HA   ARG   6           HA       ARG   6  -8.790  13.329  -2.806
   24   1HB   ARG   6          2HB       ARG   6  -9.986  12.826  -0.702
   25   2HB   ARG   6          1HB       ARG   6 -10.830  14.036  -1.653
   26   1HG   ARG   6          2HG       ARG   6 -11.830  11.554  -2.540
   27   2HG   ARG   6          1HG       ARG   6 -11.754  11.432  -0.782
   28   1HD   ARG   6          2HD       ARG   6 -12.892  13.725  -0.719
   29   2HD   ARG   6          1HD       ARG   6 -13.214  13.498  -2.438
   30    HE   ARG   6           HE       ARG   6 -14.680  11.647  -1.876
   31   1HH1  ARG   6          2HH1      ARG   6 -13.517  10.439   0.491
   32   2HH1  ARG   6          1HH1      ARG   6 -14.497  11.030   1.791
   33   1HH2  ARG   6          1HH2      ARG   6 -15.846  13.645  -0.064
   34   2HH2  ARG   6          2HH2      ARG   6 -15.820  12.852   1.476
   35    H    CYS   7           H        CYS   7  -8.442  11.514  -0.876
   36    HA   CYS   7           HA       CYS   7  -7.389   9.221  -2.232
   37   1HB   CYS   7          2HB       CYS   7  -7.761  10.010   0.628
   38   2HB   CYS   7          1HB       CYS   7  -7.421   8.322   0.272
   39    H    GLN   8           H        GLN   8  -8.524   7.532  -3.024
   40    HA   GLN   8           HA       GLN   8 -11.306   7.084  -2.298
   41   1HB   GLN   8          2HB       GLN   8 -11.188   5.271  -3.937
   42   2HB   GLN   8          1HB       GLN   8 -10.444   6.720  -4.598
   43   1HG   GLN   8          2HG       GLN   8  -8.313   5.493  -3.347
   44   2HG   GLN   8          1HG       GLN   8  -9.232   4.115  -3.950
   45   1HE2  GLN   8          2HE2      GLN   8  -7.511   6.705  -6.633
   46   2HE2  GLN   8          1HE2      GLN   8  -7.684   7.177  -5.013
   47    H    CYS   9           H        CYS   9  -8.457   6.243  -0.719
   48    HA   CYS   9           HA       CYS   9  -9.713   3.783   0.425
   49   1HB   CYS   9          2HB       CYS   9  -6.893   4.440  -0.334
   50   2HB   CYS   9          1HB       CYS   9  -7.166   3.391   1.051
   51    H    ILE  10           H        ILE  10 -10.648   4.536   2.282
   52    HA   ILE  10           HA       ILE  10  -9.538   6.665   3.899
   53    HB   ILE  10           HB       ILE  10 -11.611   4.547   4.565
   54   1HG1  ILE  10          2HG1      ILE  10 -12.291   7.416   4.117
   55   2HG1  ILE  10          1HG1      ILE  10 -11.857   6.472   2.692
   56   1HG2  ILE  10          1HG2      ILE  10 -10.715   7.046   6.021
   57   2HG2  ILE  10          3HG2      ILE  10 -12.276   6.281   6.322
   58   3HG2  ILE  10          2HG2      ILE  10 -10.785   5.397   6.643
   59   1HD1  ILE  10          3HD1      ILE  10 -13.520   4.705   3.749
   60   2HD1  ILE  10          2HD1      ILE  10 -14.175   6.128   4.559
   61   3HD1  ILE  10          1HD1      ILE  10 -14.140   6.055   2.797
   62    H    LYS  11           H        LYS  11  -9.255   3.151   3.892
   63    HA   LYS  11           HA       LYS  11  -7.306   3.367   6.161
   64   1HB   LYS  11          2HB       LYS  11  -9.314   1.200   5.501
   65   2HB   LYS  11          1HB       LYS  11  -7.932   0.901   6.554
   66   1HG   LYS  11          2HG       LYS  11  -8.736   2.271   8.237
   67   2HG   LYS  11          1HG       LYS  11  -9.625   3.302   7.117
   68   1HD   LYS  11          2HD       LYS  11 -10.922   0.930   6.749
   69   2HD   LYS  11          1HD       LYS  11 -10.468   0.796   8.449
   70   1HE   LYS  11          2HE       LYS  11 -12.471   1.934   8.668
   71   2HE   LYS  11          1HE       LYS  11 -11.364   3.299   8.528
   72   1HZ   LYS  11          1HZ       LYS  11 -11.795   3.225   6.085
   73   2HZ   LYS  11          3HZ       LYS  11 -13.026   2.097   6.385
   74   3HZ   LYS  11          2HZ       LYS  11 -13.138   3.666   7.027
   75    H    THR  12           H        THR  12  -5.565   1.663   6.050
   76    HA   THR  12           HA       THR  12  -5.019   0.840   3.231
   77    HB   THR  12           HB       THR  12  -2.508   1.156   4.273
   78    HG1  THR  12           HG1      THR  12  -2.522   2.648   5.735
   79   1HG2  THR  12          2HG2      THR  12  -3.349   1.834   2.064
   80   2HG2  THR  12          1HG2      THR  12  -4.164   3.212   2.804
   81   3HG2  THR  12          3HG2      THR  12  -2.403   3.115   2.822
   82    OH   TYR  13           OH       TYR  13  -3.069  -8.791   4.477
   83    H    TYR  13           H        TYR  13  -2.724  -0.566   3.574
   84    HA   TYR  13           HA       TYR  13  -3.632  -2.847   5.259
   85   1HB   TYR  13          2HB       TYR  13  -3.339  -2.953   2.660
   86   2HB   TYR  13          1HB       TYR  13  -1.620  -3.031   3.031
   87    HD1  TYR  13           HD2      TYR  13  -4.204  -4.439   5.259
   88    HD2  TYR  13           HD1      TYR  13  -1.309  -5.248   2.196
   89    HE1  TYR  13           HE2      TYR  13  -4.394  -6.873   5.728
   90    HE2  TYR  13           HE1      TYR  13  -1.498  -7.689   2.658
   91    HH   TYR  13           HH       TYR  13  -2.687  -8.965   5.339
   92    H    SER  14           H        SER  14  -2.442  -3.221   7.051
   93    HA   SER  14           HA       SER  14   0.308  -2.103   7.219
   94   1HB   SER  14          2HB       SER  14  -1.604  -1.867   9.041
   95   2HB   SER  14          1HB       SER  14  -1.044  -3.466   9.522
   96    HG   SER  14           HG       SER  14   0.012  -1.211  10.204
   97    H    LYS  15           H        LYS  15  -1.449  -5.154   7.157
   98    HA   LYS  15           HA       LYS  15   0.856  -6.758   7.929
   99   1HB   LYS  15          2HB       LYS  15  -1.242  -8.074   6.330
  100   2HB   LYS  15          1HB       LYS  15  -0.518  -8.571   7.835
  101   1HG   LYS  15          2HG       LYS  15  -2.609  -6.392   7.588
  102   2HG   LYS  15          1HG       LYS  15  -2.931  -8.046   8.095
  103   1HD   LYS  15          2HD       LYS  15  -0.902  -7.425   9.788
  104   2HD   LYS  15          1HD       LYS  15  -1.643  -5.835   9.592
  105   1HE   LYS  15          2HE       LYS  15  -3.632  -6.486  10.569
  106   2HE   LYS  15          1HE       LYS  15  -3.457  -8.163  10.058
  107   1HZ   LYS  15          1HZ       LYS  15  -1.695  -8.435  11.696
  108   2HZ   LYS  15          3HZ       LYS  15  -1.888  -6.826  12.197
  109   3HZ   LYS  15          2HZ       LYS  15  -3.144  -7.945  12.435
  110    HA   PRO  16           HA       PRO  16   2.652  -6.680   3.896
  111   1HB   PRO  16          2HB       PRO  16   4.655  -8.461   4.443
  112   2HB   PRO  16          1HB       PRO  16   4.659  -6.792   4.999
  113   1HG   PRO  16          2HG       PRO  16   4.211  -9.272   6.563
  114   2HG   PRO  16          1HG       PRO  16   4.725  -7.673   7.125
  115   1HD   PRO  16          2HD       PRO  16   2.089  -8.800   7.291
  116   2HD   PRO  16          1HD       PRO  16   2.579  -7.157   7.741
  117    H    PHE  17           H        PHE  17   3.081  -8.119   2.073
  118    HA   PHE  17           HA       PHE  17   2.371 -10.935   2.208
  119   1HB   PHE  17          2HB       PHE  17   0.359 -10.923   0.916
  120   2HB   PHE  17          1HB       PHE  17   0.119  -9.755   2.209
  121    HD1  PHE  17           HD1      PHE  17   0.726  -7.253   1.630
  122    HD2  PHE  17           HD2      PHE  17  -0.034 -10.307  -1.296
  123    HE1  PHE  17           HE1      PHE  17   0.230  -5.511  -0.065
  124    HE2  PHE  17           HE2      PHE  17  -0.525  -8.563  -2.988
  125    HZ   PHE  17           HZ       PHE  17  -0.394  -6.167  -2.371
  126    H    HIS  18           H        HIS  18   2.757 -12.030   0.149
  127    HA   HIS  18           HA       HIS  18   4.994 -10.988  -1.281
  128   1HB   HIS  18          2HB       HIS  18   4.797 -13.325  -1.110
  129   2HB   HIS  18          1HB       HIS  18   3.145 -13.309  -1.709
  130    HD1  HIS  18           HD1      HIS  18   6.710 -13.179  -2.866
  131    HD2  HIS  18           HD2      HIS  18   2.894 -12.966  -4.450
  132    HE1  HIS  18           HE1      HIS  18   6.959 -13.387  -5.388
  133    HA   PRO  19           HA       PRO  19   3.078  -8.262  -4.123
  134   1HB   PRO  19          2HB       PRO  19   5.216  -7.919  -5.795
  135   2HB   PRO  19          1HB       PRO  19   5.084  -7.186  -4.189
  136   1HG   PRO  19          2HG       PRO  19   6.732  -9.511  -5.067
  137   2HG   PRO  19          1HG       PRO  19   7.036  -8.347  -3.768
  138   1HD   PRO  19          2HD       PRO  19   6.051 -10.962  -3.421
  139   2HD   PRO  19          1HD       PRO  19   5.994  -9.672  -2.207
  140    H    LYS  20           H        LYS  20   4.855 -10.958  -5.742
  141    HA   LYS  20           HA       LYS  20   3.816 -10.581  -8.312
  142   1HB   LYS  20          2HB       LYS  20   5.480 -12.403  -7.359
  143   2HB   LYS  20          1HB       LYS  20   4.023 -13.382  -7.426
  144   1HG   LYS  20          2HG       LYS  20   3.791 -13.118  -9.754
  145   2HG   LYS  20          1HG       LYS  20   4.852 -11.708  -9.783
  146   1HD   LYS  20          2HD       LYS  20   6.756 -13.190  -9.112
  147   2HD   LYS  20          1HD       LYS  20   5.678 -14.578  -9.257
  148   1HE   LYS  20          2HE       LYS  20   5.344 -13.140 -11.649
  149   2HE   LYS  20          1HE       LYS  20   7.080 -13.127 -11.344
  150   1HZ   LYS  20          1HZ       LYS  20   6.970 -15.544 -11.018
  151   2HZ   LYS  20          3HZ       LYS  20   5.323 -15.521 -11.426
  152   3HZ   LYS  20          2HZ       LYS  20   6.489 -15.082 -12.581
  153    H    PHE  21           H        PHE  21   2.075 -11.719  -5.505
  154    HA   PHE  21           HA       PHE  21  -0.099 -13.051  -6.793
  155   1HB   PHE  21          2HB       PHE  21  -0.127 -11.376  -4.304
  156   2HB   PHE  21          1HB       PHE  21  -1.384 -12.489  -4.777
  157    HD1  PHE  21           HD1      PHE  21   0.832 -14.538  -5.893
  158    HD2  PHE  21           HD2      PHE  21   0.139 -12.539  -2.153
  159    HE1  PHE  21           HE1      PHE  21   2.017 -16.355  -4.695
  160    HE2  PHE  21           HE2      PHE  21   1.324 -14.356  -0.959
  161    HZ   PHE  21           HZ       PHE  21   2.262 -16.269  -2.231
  162    H    ILE  22           H        ILE  22   0.592  -9.681  -6.062
  163    HA   ILE  22           HA       ILE  22  -1.884  -8.495  -6.817
  164    HB   ILE  22           HB       ILE  22   0.930  -7.372  -7.035
  165   1HG1  ILE  22          2HG1      ILE  22  -0.989  -6.743  -4.816
  166   2HG1  ILE  22          1HG1      ILE  22  -0.087  -8.256  -4.752
  167   1HG2  ILE  22          1HG2      ILE  22  -1.812  -6.156  -7.215
  168   2HG2  ILE  22          3HG2      ILE  22  -0.446  -5.198  -6.647
  169   3HG2  ILE  22          2HG2      ILE  22  -0.419  -5.901  -8.264
  170   1HD1  ILE  22          2HD1      ILE  22   1.915  -6.551  -5.415
  171   2HD1  ILE  22          1HD1      ILE  22   0.885  -5.466  -4.483
  172   3HD1  ILE  22          3HD1      ILE  22   1.497  -6.947  -3.748
  173    H    LYS  23           H        LYS  23  -2.834  -8.573  -8.779
  174    HA   LYS  23           HA       LYS  23  -1.254  -9.185 -11.184
  175   1HB   LYS  23          2HB       LYS  23  -3.737  -9.917 -10.539
  176   2HB   LYS  23          1HB       LYS  23  -4.138  -8.392 -11.332
  177   1HG   LYS  23          2HG       LYS  23  -3.199  -9.079 -13.390
  178   2HG   LYS  23          1HG       LYS  23  -2.287 -10.387 -12.638
  179   1HD   LYS  23          2HD       LYS  23  -4.445 -11.518 -12.086
  180   2HD   LYS  23          1HD       LYS  23  -5.299 -10.249 -12.964
  181   1HE   LYS  23          2HE       LYS  23  -4.046 -10.828 -15.016
  182   2HE   LYS  23          1HE       LYS  23  -3.206 -12.106 -14.138
  183   1HZ   LYS  23          3HZ       LYS  23  -5.375 -13.124 -13.681
  184   2HZ   LYS  23          2HZ       LYS  23  -6.132 -11.926 -14.618
  185   3HZ   LYS  23          1HZ       LYS  23  -5.056 -13.023 -15.343
  186    H    GLU  24           H        GLU  24  -2.664  -6.387  -9.601
  187    HA   GLU  24           HA       GLU  24  -1.442  -4.663 -11.686
  188   1HB   GLU  24          2HB       GLU  24  -4.353  -4.727 -10.930
  189   2HB   GLU  24          1HB       GLU  24  -3.614  -3.203 -11.422
  190   1HG   GLU  24          2HG       GLU  24  -3.381  -5.732 -13.071
  191   2HG   GLU  24          1HG       GLU  24  -4.683  -4.564 -13.297
  192    HA   LEU  25           HA       LEU  25  -0.858  -2.742  -7.643
  193   1HB   LEU  25          2HB       LEU  25   1.142  -3.997  -7.359
  194   2HB   LEU  25          1HB       LEU  25   1.893  -3.276  -8.781
  195    HG   LEU  25           HG       LEU  25   1.108  -1.257  -6.813
  196   1HD1  LEU  25          1HD1      LEU  25   2.362  -3.675  -5.826
  197   2HD1  LEU  25          3HD1      LEU  25   3.419  -2.281  -5.604
  198   3HD1  LEU  25          2HD1      LEU  25   1.789  -2.268  -4.930
  199   1HD2  LEU  25          2HD2      LEU  25   3.063  -1.688  -8.817
  200   2HD2  LEU  25          1HD2      LEU  25   2.838  -0.239  -7.838
  201   3HD2  LEU  25          3HD2      LEU  25   3.947  -1.502  -7.303
  202    NH1  ARG  26           NH2      ARG  26  -7.297   2.253  -9.673
  203    NH2  ARG  26           NH1      ARG  26  -7.091   2.218 -11.930
  204    H    ARG  26           H        ARG  26  -1.820  -0.743  -8.042
  205    HA   ARG  26           HA       ARG  26  -0.078   1.190  -9.487
  206   1HB   ARG  26          2HB       ARG  26  -2.185   2.369 -10.200
  207   2HB   ARG  26          1HB       ARG  26  -2.006   0.756 -10.886
  208   1HG   ARG  26          2HG       ARG  26  -3.422  -0.059  -8.891
  209   2HG   ARG  26          1HG       ARG  26  -3.822   1.640  -8.638
  210   1HD   ARG  26          2HD       ARG  26  -4.091   0.560 -11.407
  211   2HD   ARG  26          1HD       ARG  26  -5.302   0.070 -10.221
  212    HE   ARG  26           HE       ARG  26  -4.714   2.969 -10.628
  213   1HH1  ARG  26          1HH2      ARG  26  -6.879   2.244  -8.764
  214   2HH1  ARG  26          2HH2      ARG  26  -8.292   2.298  -9.763
  215   1HH2  ARG  26          2HH1      ARG  26  -6.514   2.181 -12.747
  216   2HH2  ARG  26          1HH1      ARG  26  -8.086   2.264 -12.024
  217    H    VAL  27           H        VAL  27   0.609   2.812  -8.181
  218    HA   VAL  27           HA       VAL  27  -0.737   3.266  -5.593
  219    HB   VAL  27           HB       VAL  27   1.252   4.739  -5.165
  220   1HG1  VAL  27          3HG1      VAL  27   1.114   2.216  -4.703
  221   2HG1  VAL  27          2HG1      VAL  27   2.131   2.022  -6.130
  222   3HG1  VAL  27          1HG1      VAL  27   2.724   2.933  -4.741
  223   1HG2  VAL  27          3HG2      VAL  27   1.578   5.096  -7.731
  224   2HG2  VAL  27          2HG2      VAL  27   3.009   4.953  -6.712
  225   3HG2  VAL  27          1HG2      VAL  27   2.462   3.571  -7.662
  226    H    ILE  28           H        ILE  28  -1.574   5.323  -4.966
  227    HA   ILE  28           HA       ILE  28  -2.394   7.031  -7.254
  228    HB   ILE  28           HB       ILE  28  -3.232   7.193  -4.339
  229   1HG1  ILE  28          2HG1      ILE  28  -3.906   5.032  -5.220
  230   2HG1  ILE  28          1HG1      ILE  28  -5.328   6.073  -5.167
  231   1HG2  ILE  28          2HG2      ILE  28  -4.201   8.484  -6.895
  232   2HG2  ILE  28          1HG2      ILE  28  -5.232   8.359  -5.470
  233   3HG2  ILE  28          3HG2      ILE  28  -3.722   9.267  -5.389
  234   1HD1  ILE  28          2HD1      ILE  28  -4.725   6.665  -7.623
  235   2HD1  ILE  28          1HD1      ILE  28  -3.708   5.224  -7.566
  236   3HD1  ILE  28          3HD1      ILE  28  -5.448   5.088  -7.306
  237    H    GLU  29           H        GLU  29  -1.598   9.087  -7.551
  238    HA   GLU  29           HA       GLU  29   0.770   9.893  -6.111
  239   1HB   GLU  29          2HB       GLU  29   0.522  12.008  -7.460
  240   2HB   GLU  29          1HB       GLU  29   0.592  10.537  -8.413
  241   1HG   GLU  29          2HG       GLU  29  -1.463  10.915  -9.272
  242   2HG   GLU  29          1HG       GLU  29  -2.148  11.154  -7.665
  243    H    SER  30           H        SER  30   0.908  12.214  -5.232
  244    HA   SER  30           HA       SER  30  -1.413  12.664  -3.401
  245   1HB   SER  30          2HB       SER  30   0.531  14.053  -2.202
  246   2HB   SER  30          1HB       SER  30   0.318  12.331  -1.925
  247    HG   SER  30           HG       SER  30   2.093  11.939  -3.027
  248    H    GLY  31           H        GLY  31  -1.901  14.916  -2.865
  249   1HA   GLY  31          2HA       GLY  31  -0.819  17.180  -4.212
  250   2HA   GLY  31          1HA       GLY  31  -2.190  16.596  -5.147
  251    HA   PRO  32           HA       PRO  32  -4.081  19.325  -1.988
  252   1HB   PRO  32          2HB       PRO  32  -6.015  20.278  -3.705
  253   2HB   PRO  32          1HB       PRO  32  -4.408  21.007  -3.536
  254   1HG   PRO  32          2HG       PRO  32  -5.470  19.278  -5.732
  255   2HG   PRO  32          1HG       PRO  32  -4.232  20.545  -5.799
  256   1HD   PRO  32          2HD       PRO  32  -3.712  17.785  -5.771
  257   2HD   PRO  32          1HD       PRO  32  -2.529  19.054  -5.388
  258    H    HIS  33           H        HIS  33  -5.526  17.179  -4.382
  259    HA   HIS  33           HA       HIS  33  -8.041  16.653  -3.176
  260   1HB   HIS  33          2HB       HIS  33  -7.971  14.534  -4.495
  261   2HB   HIS  33          1HB       HIS  33  -7.492  15.919  -5.467
  262    HD1  HIS  33           HD1      HIS  33  -4.879  16.208  -5.909
  263    HD2  HIS  33           HD2      HIS  33  -5.956  12.593  -4.136
  264    HE1  HIS  33           HE1      HIS  33  -2.825  14.743  -5.985
  265    H    CYS  34           H        CYS  34  -4.831  15.293  -2.573
  266    HA   CYS  34           HA       CYS  34  -5.674  14.325   0.027
  267   1HB   CYS  34          2HB       CYS  34  -6.154  12.487  -1.790
  268   2HB   CYS  34          1HB       CYS  34  -4.406  12.263  -1.755
  269    H    ALA  35           H        ALA  35  -4.041  15.105   1.264
  270    HA   ALA  35           HA       ALA  35  -1.452  15.792   0.218
  271   1HB   ALA  35          3HB       ALA  35  -2.432  15.464   3.065
  272   2HB   ALA  35          2HB       ALA  35  -0.852  16.122   2.635
  273   3HB   ALA  35          1HB       ALA  35  -2.322  16.968   2.151
  274    H    ASN  36           H        ASN  36  -2.592  13.036   2.168
  275    HA   ASN  36           HA       ASN  36   0.074  11.833   2.253
  276   1HB   ASN  36          2HB       ASN  36  -2.650  11.111   3.264
  277   2HB   ASN  36          1HB       ASN  36  -1.449   9.831   3.104
  278   1HD2  ASN  36          2HD2      ASN  36  -0.953  12.713   5.970
  279   2HD2  ASN  36          1HD2      ASN  36  -2.132  12.913   4.765
  280    H    THR  37           H        THR  37   0.838  10.188   0.964
  281    HA   THR  37           HA       THR  37  -0.619   9.631  -1.535
  282    HB   THR  37           HB       THR  37   2.012   8.402  -0.678
  283    HG1  THR  37           HG1      THR  37   2.864  10.301  -0.771
  284   1HG2  THR  37          2HG2      THR  37   0.877   7.587  -2.749
  285   2HG2  THR  37          1HG2      THR  37   0.941   9.230  -3.388
  286   3HG2  THR  37          3HG2      THR  37   2.434   8.347  -3.075
  287    H    GLU  38           H        GLU  38  -1.343   7.499  -2.156
  288    HA   GLU  38           HA       GLU  38  -1.279   5.440   0.011
  289   1HB   GLU  38          2HB       GLU  38  -3.496   6.927  -0.362
  290   2HB   GLU  38          1HB       GLU  38  -3.783   5.690  -1.586
  291   1HG   GLU  38          2HG       GLU  38  -4.742   4.678   0.274
  292   2HG   GLU  38          1HG       GLU  38  -3.100   4.042   0.369
  293    H    ILE  39           H        ILE  39  -1.133   3.313  -0.726
  294    HA   ILE  39           HA       ILE  39  -0.611   3.005  -3.643
  295    HB   ILE  39           HB       ILE  39  -0.055   1.246  -1.231
  296   1HG1  ILE  39          2HG1      ILE  39   2.206   1.872  -2.909
  297   2HG1  ILE  39          1HG1      ILE  39   1.361   3.362  -2.493
  298   1HG2  ILE  39          1HG2      ILE  39   0.393   0.695  -4.179
  299   2HG2  ILE  39          3HG2      ILE  39   1.184  -0.207  -2.887
  300   3HG2  ILE  39          2HG2      ILE  39  -0.570  -0.257  -3.052
  301   1HD1  ILE  39          3HD1      ILE  39   1.509   1.682  -0.161
  302   2HD1  ILE  39          2HD1      ILE  39   3.120   1.857  -0.855
  303   3HD1  ILE  39          1HD1      ILE  39   2.194   3.288  -0.406
  304    H    ILE  40           H        ILE  40  -1.638   1.129  -4.783
  305    HA   ILE  40           HA       ILE  40  -4.011  -0.046  -3.468
  306    HB   ILE  40           HB       ILE  40  -4.260   1.566  -6.029
  307   1HG1  ILE  40          2HG1      ILE  40  -5.510   2.004  -3.296
  308   2HG1  ILE  40          1HG1      ILE  40  -4.126   2.903  -3.913
  309   1HG2  ILE  40          3HG2      ILE  40  -6.240  -0.109  -4.450
  310   2HG2  ILE  40          2HG2      ILE  40  -6.692   0.980  -5.762
  311   3HG2  ILE  40          1HG2      ILE  40  -5.671  -0.420  -6.089
  312   1HD1  ILE  40          2HD1      ILE  40  -5.593   3.508  -5.919
  313   2HD1  ILE  40          1HD1      ILE  40  -6.952   2.877  -4.990
  314   3HD1  ILE  40          3HD1      ILE  40  -6.035   4.257  -4.386
  315    H    VAL  41           H        VAL  41  -3.219  -2.102  -3.752
  316    HA   VAL  41           HA       VAL  41  -2.361  -2.967  -6.442
  317    HB   VAL  41           HB       VAL  41  -1.674  -5.037  -5.296
  318   1HG1  VAL  41          3HG1      VAL  41  -0.792  -2.432  -4.056
  319   2HG1  VAL  41          2HG1      VAL  41  -0.006  -3.969  -3.693
  320   3HG1  VAL  41          1HG1      VAL  41   0.000  -3.343  -5.342
  321   1HG2  VAL  41          1HG2      VAL  41  -3.478  -5.073  -3.598
  322   2HG2  VAL  41          3HG2      VAL  41  -1.886  -5.249  -2.863
  323   3HG2  VAL  41          2HG2      VAL  41  -2.722  -3.702  -2.791
  324    H    LYS  42           H        LYS  42  -3.257  -5.104  -7.200
  325    HA   LYS  42           HA       LYS  42  -6.069  -5.544  -6.321
  326   1HB   LYS  42          2HB       LYS  42  -5.086  -4.691  -8.951
  327   2HB   LYS  42          1HB       LYS  42  -6.065  -6.154  -9.035
  328   1HG   LYS  42          2HG       LYS  42  -7.720  -4.880  -7.489
  329   2HG   LYS  42          1HG       LYS  42  -6.840  -3.435  -7.988
  330   1HD   LYS  42          2HD       LYS  42  -7.657  -5.295 -10.160
  331   2HD   LYS  42          1HD       LYS  42  -8.953  -4.404  -9.365
  332   1HE   LYS  42          2HE       LYS  42  -6.738  -2.627  -9.867
  333   2HE   LYS  42          1HE       LYS  42  -7.181  -3.450 -11.361
  334   1HZ   LYS  42          3HZ       LYS  42  -9.095  -2.058  -9.567
  335   2HZ   LYS  42          2HZ       LYS  42  -8.447  -1.397 -10.991
  336   3HZ   LYS  42          1HZ       LYS  42  -9.452  -2.765 -11.068
  337    H    LEU  43           H        LEU  43  -5.566  -7.453  -5.229
  338    HA   LEU  43           HA       LEU  43  -3.756  -9.460  -5.941
  339   1HB   LEU  43          2HB       LEU  43  -6.357  -9.512  -4.442
  340   2HB   LEU  43          1HB       LEU  43  -5.440 -10.984  -4.691
  341    HG   LEU  43           HG       LEU  43  -4.306  -8.461  -3.450
  342   1HD1  LEU  43          1HD1      LEU  43  -6.044  -9.533  -2.027
  343   2HD1  LEU  43          3HD1      LEU  43  -5.147 -11.049  -2.110
  344   3HD1  LEU  43          2HD1      LEU  43  -4.435  -9.645  -1.315
  345   1HD2  LEU  43          2HD2      LEU  43  -3.234 -11.238  -3.966
  346   2HD2  LEU  43          1HD2      LEU  43  -2.502  -9.685  -4.372
  347   3HD2  LEU  43          3HD2      LEU  43  -2.557 -10.223  -2.694
  348    H    SER  44           H        SER  44  -3.887 -11.361  -7.110
  349    HA   SER  44           HA       SER  44  -5.285 -11.380  -9.556
  350   1HB   SER  44          2HB       SER  44  -3.202 -12.736  -8.814
  351   2HB   SER  44          1HB       SER  44  -4.366 -13.914  -8.215
  352    HG   SER  44           HG       SER  44  -4.885 -14.415 -10.210
  353    H    ASP  45           H        ASP  45  -6.349 -12.453  -6.399
  354    HA   ASP  45           HA       ASP  45  -8.443 -14.188  -7.378
  355   1HB   ASP  45          2HB       ASP  45  -7.889 -12.950  -4.677
  356   2HB   ASP  45          1HB       ASP  45  -9.259 -14.020  -4.978
  357    H    GLY  46           H        GLY  46  -8.196 -10.996  -7.893
  358   1HA   GLY  46          2HA       GLY  46  -9.861  -9.494  -8.636
  359   2HA   GLY  46          1HA       GLY  46 -11.091 -10.618  -8.060
  360    NH1  ARG  47           NH1      ARG  47 -10.990 -10.054   1.308
  361    NH2  ARG  47           NH2      ARG  47 -12.870 -10.332   0.073
  362    H    ARG  47           H        ARG  47  -8.400  -9.462  -6.063
  363    HA   ARG  47           HA       ARG  47 -10.432  -8.108  -4.327
  364   1HB   ARG  47          2HB       ARG  47  -8.956 -10.141  -3.554
  365   2HB   ARG  47          1HB       ARG  47  -7.691  -8.925  -3.409
  366   1HG   ARG  47          2HG       ARG  47  -8.708  -9.001  -1.261
  367   2HG   ARG  47          1HG       ARG  47  -9.391  -7.569  -2.026
  368   1HD   ARG  47          2HD       ARG  47 -11.387  -8.849  -2.679
  369   2HD   ARG  47          1HD       ARG  47 -10.703 -10.304  -1.957
  370    HE   ARG  47           HE       ARG  47 -11.354  -7.877  -0.326
  371   1HH1  ARG  47          2HH1      ARG  47 -10.112  -9.598   1.461
  372   2HH1  ARG  47          1HH1      ARG  47 -11.309 -10.751   1.951
  373   1HH2  ARG  47          1HH2      ARG  47 -13.429 -10.089  -0.720
  374   2HH2  ARG  47          2HH2      ARG  47 -13.190 -11.031   0.715
  375    H    GLU  48           H        GLU  48  -9.655  -6.135  -3.206
  376    HA   GLU  48           HA       GLU  48  -7.404  -4.747  -4.589
  377   1HB   GLU  48          2HB       GLU  48  -9.936  -4.115  -5.249
  378   2HB   GLU  48          1HB       GLU  48  -9.781  -3.120  -3.800
  379   1HG   GLU  48          2HG       GLU  48  -7.473  -2.432  -4.889
  380   2HG   GLU  48          1HG       GLU  48  -8.253  -2.960  -6.379
  381    H    LEU  49           H        LEU  49  -5.952  -4.278  -3.016
  382    HA   LEU  49           HA       LEU  49  -7.019  -3.491  -0.321
  383   1HB   LEU  49          2HB       LEU  49  -5.177  -5.621  -1.054
  384   2HB   LEU  49          1HB       LEU  49  -4.401  -4.461   0.024
  385    HG   LEU  49           HG       LEU  49  -6.582  -4.653   1.432
  386   1HD1  LEU  49          3HD1      LEU  49  -6.694  -7.147  -0.284
  387   2HD1  LEU  49          2HD1      LEU  49  -7.591  -6.950   1.221
  388   3HD1  LEU  49          1HD1      LEU  49  -7.929  -5.894  -0.152
  389   1HD2  LEU  49          2HD2      LEU  49  -4.207  -5.601   1.872
  390   2HD2  LEU  49          1HD2      LEU  49  -5.549  -6.321   2.758
  391   3HD2  LEU  49          3HD2      LEU  49  -4.877  -7.146   1.350
  392    H    CYS  50           H        CYS  50  -6.342  -1.473   0.288
  393    HA   CYS  50           HA       CYS  50  -4.323  -0.096  -1.348
  394   1HB   CYS  50          2HB       CYS  50  -5.148   1.238   1.100
  395   2HB   CYS  50          1HB       CYS  50  -5.172   1.828  -0.545
  396    H    LEU  51           H        LEU  51  -2.185   0.145  -0.707
  397    HA   LEU  51           HA       LEU  51  -1.447  -1.181   1.818
  398   1HB   LEU  51          2HB       LEU  51   0.188  -0.358  -0.569
  399   2HB   LEU  51          1HB       LEU  51   0.880  -1.014   0.891
  400    HG   LEU  51           HG       LEU  51  -0.724  -2.993   0.589
  401   1HD1  LEU  51          3HD1      LEU  51  -1.233  -1.416  -1.857
  402   2HD1  LEU  51          2HD1      LEU  51  -1.013  -3.148  -2.096
  403   3HD1  LEU  51          1HD1      LEU  51  -2.271  -2.560  -1.012
  404   1HD2  LEU  51          3HD2      LEU  51   1.556  -2.410  -1.314
  405   2HD2  LEU  51          2HD2      LEU  51   1.611  -3.332   0.187
  406   3HD2  LEU  51          1HD2      LEU  51   0.779  -3.990  -1.221
  407    H    ASP  52           H        ASP  52   0.103  -0.259   3.173
  408    HA   ASP  52           HA       ASP  52  -0.079   2.708   3.352
  409   1HB   ASP  52          2HB       ASP  52  -0.977   1.148   5.204
  410   2HB   ASP  52          1HB       ASP  52   0.710   0.803   5.564
  411    HA   PRO  53           HA       PRO  53   4.245   2.441   2.224
  412   1HB   PRO  53          2HB       PRO  53   4.619   5.170   2.120
  413   2HB   PRO  53          1HB       PRO  53   3.927   4.208   0.802
  414   1HG   PRO  53          2HG       PRO  53   2.536   5.990   2.764
  415   2HG   PRO  53          1HG       PRO  53   2.104   5.611   1.088
  416   1HD   PRO  53          2HD       PRO  53   0.877   4.488   3.333
  417   2HD   PRO  53          1HD       PRO  53   0.847   3.780   1.703
  418    H    LYS  54           H        LYS  54   2.848   3.582   5.127
  419    HA   LYS  54           HA       LYS  54   5.079   4.755   6.421
  420   1HB   LYS  54          2HB       LYS  54   2.463   4.167   7.122
  421   2HB   LYS  54          1HB       LYS  54   3.408   3.129   8.185
  422   1HG   LYS  54          2HG       LYS  54   4.348   5.939   7.878
  423   2HG   LYS  54          1HG       LYS  54   2.860   5.695   8.792
  424   1HD   LYS  54          2HD       LYS  54   4.257   3.787   9.971
  425   2HD   LYS  54          1HD       LYS  54   5.634   4.731   9.401
  426   1HE   LYS  54          2HE       LYS  54   4.766   6.728  10.528
  427   2HE   LYS  54          1HE       LYS  54   3.341   5.832  11.054
  428   1HZ   LYS  54          3HZ       LYS  54   4.843   4.308  12.246
  429   2HZ   LYS  54          2HZ       LYS  54   6.160   5.294  11.821
  430   3HZ   LYS  54          1HZ       LYS  54   4.931   5.899  12.825
  431    H    GLU  55           H        GLU  55   4.213   1.375   5.810
  432    HA   GLU  55           HA       GLU  55   6.240   0.328   7.635
  433   1HB   GLU  55          2HB       GLU  55   4.498  -0.915   5.501
  434   2HB   GLU  55          1HB       GLU  55   5.708  -1.831   6.376
  435   1HG   GLU  55          2HG       GLU  55   3.848  -2.207   7.703
  436   2HG   GLU  55          1HG       GLU  55   4.538  -0.802   8.494
  437    H    ASN  56           H        ASN  56   7.894  -1.213   6.653
  438    HA   ASN  56           HA       ASN  56   9.299   0.195   4.461
  439   1HB   ASN  56          2HB       ASN  56  10.106  -1.187   6.820
  440   2HB   ASN  56          1HB       ASN  56  10.830  -1.960   5.419
  441   1HD2  ASN  56          2HD2      ASN  56  13.187   0.612   4.985
  442   2HD2  ASN  56          1HD2      ASN  56  12.734  -0.995   4.681
  443    CH2  TRP  57           CH2      TRP  57   1.718  -4.729   2.479
  444    H    TRP  57           H        TRP  57   7.398  -2.615   5.016
  445    HA   TRP  57           HA       TRP  57   8.558  -4.134   2.836
  446   1HB   TRP  57          2HB       TRP  57   6.969  -5.820   3.372
  447   2HB   TRP  57          1HB       TRP  57   7.513  -5.165   4.888
  448    HD1  TRP  57           HD1      TRP  57   5.785  -4.082   6.401
  449    HE1  TRP  57           HE1      TRP  57   3.235  -3.848   6.312
  450    HE3  TRP  57           HE3      TRP  57   4.935  -5.377   1.554
  451    HZ2  TRP  57           HZ2      TRP  57   1.103  -4.101   4.444
  452    HZ3  TRP  57           HZ3      TRP  57   2.638  -5.350   0.640
  453    HH2  TRP  57           HH2      TRP  57   0.716  -4.724   2.073
  454    H    VAL  58           H        VAL  58   5.729  -2.098   3.388
  455    HA   VAL  58           HA       VAL  58   4.458  -2.620   0.854
  456    HB   VAL  58           HB       VAL  58   4.302  -0.465   2.929
  457   1HG1  VAL  58          1HG1      VAL  58   3.212  -0.285   0.121
  458   2HG1  VAL  58          3HG1      VAL  58   2.479   0.591   1.464
  459   3HG1  VAL  58          2HG1      VAL  58   4.149   0.920   1.005
  460   1HG2  VAL  58          2HG2      VAL  58   2.576  -2.613   1.805
  461   2HG2  VAL  58          1HG2      VAL  58   2.849  -2.153   3.485
  462   3HG2  VAL  58          3HG2      VAL  58   1.786  -1.184   2.470
  463    H    GLN  59           H        GLN  59   6.813  -0.174   1.935
  464    HA   GLN  59           HA       GLN  59   6.964   1.113  -0.643
  465   1HB   GLN  59          2HB       GLN  59   8.823   2.354   0.313
  466   2HB   GLN  59          1HB       GLN  59   7.494   2.280   1.466
  467   1HG   GLN  59          2HG       GLN  59   8.577   0.330   2.537
  468   2HG   GLN  59          1HG       GLN  59   9.933   0.502   1.431
  469   1HE2  GLN  59          2HE2      GLN  59  11.486   2.895   3.490
  470   2HE2  GLN  59          1HE2      GLN  59  11.644   1.676   2.321
  471    NH1  ARG  60           NH2      ARG  60  12.340  -4.280   5.021
  472    NH2  ARG  60           NH1      ARG  60  13.462  -5.684   3.641
  473    H    ARG  60           H        ARG  60   8.625  -1.583   0.866
  474    HA   ARG  60           HA       ARG  60  10.756  -1.670  -1.149
  475   1HB   ARG  60          2HB       ARG  60   9.902  -3.388   1.162
  476   2HB   ARG  60          1HB       ARG  60  10.922  -4.098  -0.085
  477   1HG   ARG  60          2HG       ARG  60  12.420  -2.008   0.226
  478   2HG   ARG  60          1HG       ARG  60  11.534  -1.768   1.732
  479   1HD   ARG  60          2HD       ARG  60  13.026  -4.297   0.966
  480   2HD   ARG  60          1HD       ARG  60  13.608  -3.076   2.097
  481    HE   ARG  60           HE       ARG  60  10.982  -4.253   2.748
  482   1HH1  ARG  60          1HH2      ARG  60  11.670  -3.552   5.156
  483   2HH1  ARG  60          2HH2      ARG  60  12.818  -4.671   5.808
  484   1HH2  ARG  60          2HH1      ARG  60  13.651  -6.028   2.721
  485   2HH2  ARG  60          1HH1      ARG  60  13.940  -6.075   4.427
  486    H    VAL  61           H        VAL  61   7.704  -3.341  -0.439
  487    HA   VAL  61           HA       VAL  61   7.807  -5.224  -2.596
  488    HB   VAL  61           HB       VAL  61   5.591  -4.015  -0.940
  489   1HG1  VAL  61          1HG1      VAL  61   5.359  -5.595  -3.452
  490   2HG1  VAL  61          3HG1      VAL  61   4.285  -6.031  -2.123
  491   3HG1  VAL  61          2HG1      VAL  61   4.265  -4.391  -2.773
  492   1HG2  VAL  61          2HG2      VAL  61   7.102  -5.737   0.036
  493   2HG2  VAL  61          1HG2      VAL  61   5.431  -6.291  -0.067
  494   3HG2  VAL  61          3HG2      VAL  61   6.619  -6.851  -1.243
  495    H    VAL  62           H        VAL  62   6.487  -1.924  -2.369
  496    HA   VAL  62           HA       VAL  62   5.420  -1.888  -5.051
  497    HB   VAL  62           HB       VAL  62   6.193   0.325  -3.122
  498   1HG1  VAL  62          2HG1      VAL  62   4.998   0.483  -5.899
  499   2HG1  VAL  62          1HG1      VAL  62   4.807   1.774  -4.712
  500   3HG1  VAL  62          3HG1      VAL  62   6.417   1.330  -5.281
  501   1HG2  VAL  62          2HG2      VAL  62   4.140  -1.313  -2.855
  502   2HG2  VAL  62          1HG2      VAL  62   3.925   0.415  -2.579
  503   3HG2  VAL  62          3HG2      VAL  62   3.426  -0.302  -4.110
  504    H    GLU  63           H        GLU  63   8.584  -1.054  -3.664
  505    HA   GLU  63           HA       GLU  63   9.618   0.111  -6.075
  506   1HB   GLU  63          2HB       GLU  63  10.631  -0.544  -3.410
  507   2HB   GLU  63          1HB       GLU  63  11.826  -0.826  -4.676
  508   1HG   GLU  63          2HG       GLU  63  12.160   1.439  -4.142
  509   2HG   GLU  63          1HG       GLU  63  11.111   1.520  -5.557
  510    H    LYS  64           H        LYS  64   9.913  -3.141  -4.612
  511    HA   LYS  64           HA       LYS  64  11.561  -4.227  -6.673
  512   1HB   LYS  64          2HB       LYS  64  10.671  -5.128  -4.253
  513   2HB   LYS  64          1HB       LYS  64   9.680  -6.083  -5.355
  514   1HG   LYS  64          2HG       LYS  64  11.900  -6.546  -6.617
  515   2HG   LYS  64          1HG       LYS  64  12.686  -5.985  -5.140
  516   1HD   LYS  64          2HD       LYS  64  10.514  -8.062  -4.984
  517   2HD   LYS  64          1HD       LYS  64  12.157  -8.539  -5.409
  518   1HE   LYS  64          2HE       LYS  64  12.529  -8.631  -3.175
  519   2HE   LYS  64          1HE       LYS  64  12.562  -6.869  -3.244
  520   1HZ   LYS  64          1HZ       LYS  64  10.153  -6.875  -2.853
  521   2HZ   LYS  64          3HZ       LYS  64  10.184  -8.564  -2.700
  522   3HZ   LYS  64          2HZ       LYS  64  11.010  -7.595  -1.576
  523    H    PHE  65           H        PHE  65   8.054  -3.908  -6.318
  524    HA   PHE  65           HA       PHE  65   7.432  -5.574  -8.626
  525   1HB   PHE  65          2HB       PHE  65   6.002  -4.893  -6.504
  526   2HB   PHE  65          1HB       PHE  65   5.553  -3.525  -7.512
  527    HD1  PHE  65           HD2      PHE  65   5.770  -7.269  -7.547
  528    HD2  PHE  65           HD1      PHE  65   3.871  -3.755  -9.126
  529    HE1  PHE  65           HE2      PHE  65   4.143  -8.691  -8.766
  530    HE2  PHE  65           HE1      PHE  65   2.244  -5.176 -10.343
  531    HZ   PHE  65           HZ       PHE  65   2.381  -7.646 -10.163
  532    H    LEU  66           H        LEU  66   7.597  -2.065  -7.980
  533    HA   LEU  66           HA       LEU  66   6.760  -1.302 -10.648
  534   1HB   LEU  66          2HB       LEU  66   6.626   0.149  -8.570
  535   2HB   LEU  66          1HB       LEU  66   8.369   0.374  -8.707
  536    HG   LEU  66           HG       LEU  66   7.627   0.946 -11.253
  537   1HD1  LEU  66          3HD1      LEU  66   5.222   1.171  -9.570
  538   2HD1  LEU  66          2HD1      LEU  66   5.587   2.629 -10.490
  539   3HD1  LEU  66          1HD1      LEU  66   5.364   1.092 -11.326
  540   1HD2  LEU  66          2HD2      LEU  66   9.022   2.329  -9.728
  541   2HD2  LEU  66          1HD2      LEU  66   7.852   3.307 -10.616
  542   3HD2  LEU  66          3HD2      LEU  66   7.557   2.895  -8.926
  543    H    LYS  67           H        LYS  67   9.971  -1.575  -9.077
  544    HA   LYS  67           HA       LYS  67  11.456  -0.626 -11.352
  545   1HB   LYS  67          2HB       LYS  67  12.168  -1.057  -8.821
  546   2HB   LYS  67          1HB       LYS  67  12.676  -2.614  -9.472
  547   1HG   LYS  67          2HG       LYS  67  13.452  -0.207 -11.042
  548   2HG   LYS  67          1HG       LYS  67  14.270  -0.434  -9.497
  549   1HD   LYS  67          2HD       LYS  67  14.029  -2.854 -11.204
  550   2HD   LYS  67          1HD       LYS  67  15.110  -1.595 -11.798
  551   1HE   LYS  67          2HE       LYS  67  16.176  -1.566  -9.495
  552   2HE   LYS  67          1HE       LYS  67  15.234  -3.010  -9.124
  553   1HZ   LYS  67          1HZ       LYS  67  16.249  -4.075 -11.082
  554   2HZ   LYS  67          3HZ       LYS  67  17.226  -2.706 -11.306
  555   3HZ   LYS  67          2HZ       LYS  67  17.394  -3.648  -9.903
  556    NH1  ARG  68           NH1      ARG  68  10.918  -8.995 -11.491
  557    NH2  ARG  68           NH2      ARG  68   9.606 -10.266 -12.834
  558    H    ARG  68           H        ARG  68  11.056  -1.644 -13.278
  559    HA   ARG  68           HA       ARG  68  12.151  -4.278 -13.748
  560   1HB   ARG  68          2HB       ARG  68   9.293  -4.054 -13.115
  561   2HB   ARG  68          1HB       ARG  68   9.588  -4.825 -14.669
  562   1HG   ARG  68          2HG       ARG  68  11.465  -6.087 -13.191
  563   2HG   ARG  68          1HG       ARG  68  10.274  -5.760 -11.931
  564   1HD   ARG  68          2HD       ARG  68   8.736  -7.195 -12.826
  565   2HD   ARG  68          1HD       ARG  68   9.183  -6.801 -14.485
  566    HE   ARG  68           HE       ARG  68  11.002  -8.413 -14.328
  567   1HH1  ARG  68          2HH1      ARG  68  11.453  -8.164 -11.338
  568   2HH1  ARG  68          1HH1      ARG  68  10.853  -9.687 -10.771
  569   1HH2  ARG  68          1HH2      ARG  68   9.139 -10.406 -13.707
  570   2HH2  ARG  68          2HH2      ARG  68   9.540 -10.959 -12.115
  571    H    ALA  69           H        ALA  69  10.989  -4.964 -16.113
  572    HA   ALA  69           HA       ALA  69  11.972  -2.969 -17.946
  573   1HB   ALA  69          2HB       ALA  69  10.330  -5.484 -18.310
  574   2HB   ALA  69          1HB       ALA  69  10.772  -4.454 -19.671
  575   3HB   ALA  69          3HB       ALA  69  12.029  -5.227 -18.706
  576    H    GLU  70           H        GLU  70  10.934  -1.065 -18.336
  577    HA   GLU  70           HA       GLU  70   7.959  -0.998 -18.120
  578   1HB   GLU  70          2HB       GLU  70  10.094   1.127 -17.908
  579   2HB   GLU  70          1HB       GLU  70   8.396   1.545 -18.139
  580   1HG   GLU  70          2HG       GLU  70   7.790   0.839 -16.037
  581   2HG   GLU  70          1HG       GLU  70   9.004  -0.440 -16.005
  582    H    ASN  71           H        ASN  71  10.523   0.480 -20.178
  583    HA   ASN  71           HA       ASN  71   8.899  -0.153 -22.566
  584   1HB   ASN  71          2HB       ASN  71   8.373   2.228 -21.475
  585   2HB   ASN  71          1HB       ASN  71   9.828   2.682 -22.364
  586   1HD2  ASN  71          2HD2      ASN  71   8.252   2.519 -25.533
  587   2HD2  ASN  71          1HD2      ASN  71   9.699   2.776 -24.684
  588    H    SER  72           H        SER  72  10.116   0.025 -24.544
  589    HA   SER  72           HA       SER  72  12.038  -0.157 -25.863
  590   1HB   SER  72          2HB       SER  72  13.419   1.471 -23.715
  591   2HB   SER  72          1HB       SER  72  13.882   1.325 -25.406
  592    HG   SER  72           HG       SER  72  11.931   2.867 -24.210
  593   1HC   CH3  25          1H        LEU  25   0.144  -3.820 -11.576
  594   2HC   CH3  25          2H        LEU  25  -0.422  -2.181 -11.253
  595   3HC   CH3  25          3H        LEU  25   1.131  -2.722 -10.614
   
  Start of MODEL           2
 Raw file had  595 H/Q atoms
  Start of MODEL    2
    1   1H    GLU   4          3H        GLU   4  -6.547  14.056 -10.061
    2   2H    GLU   4          2H        GLU   4  -5.734  15.520 -10.351
    3   3H    GLU   4          1H        GLU   4  -5.834  14.900  -8.774
    4    HA   GLU   4           HA       GLU   4  -7.416  16.608  -8.834
    5   1HB   GLU   4          2HB       GLU   4  -7.319  16.452 -11.477
    6   2HB   GLU   4          1HB       GLU   4  -8.757  15.457 -11.260
    7   1HG   GLU   4          2HG       GLU   4 -10.016  17.213 -10.419
    8   2HG   GLU   4          1HG       GLU   4  -8.602  18.064  -9.796
    9    H    LEU   5           H        LEU   5  -7.325  14.242  -7.412
   10    HA   LEU   5           HA       LEU   5 -10.161  13.738  -6.922
   11   1HB   LEU   5          2HB       LEU   5  -9.571  12.163  -8.824
   12   2HB   LEU   5          1HB       LEU   5  -8.435  11.379  -7.726
   13    HG   LEU   5           HG       LEU   5 -10.535  11.279  -6.121
   14   1HD1  LEU   5          3HD1      LEU   5 -11.942  12.617  -7.710
   15   2HD1  LEU   5          2HD1      LEU   5 -11.836  11.285  -8.860
   16   3HD1  LEU   5          1HD1      LEU   5 -12.640  11.048  -7.309
   17   1HD2  LEU   5          3HD2      LEU   5 -10.074   9.490  -8.528
   18   2HD2  LEU   5          2HD2      LEU   5  -9.404   9.289  -6.909
   19   3HD2  LEU   5          1HD2      LEU   5 -11.132   9.065  -7.181
   20    NH1  ARG   6           NH2      ARG   6 -14.169  12.213  -0.322
   21    NH2  ARG   6           NH1      ARG   6 -15.361  12.532  -2.224
   22    H    ARG   6           H        ARG   6 -10.416  13.303  -4.760
   23    HA   ARG   6           HA       ARG   6  -8.190  13.405  -2.972
   24   1HB   ARG   6          2HB       ARG   6  -9.864  12.773  -1.233
   25   2HB   ARG   6          1HB       ARG   6 -10.400  14.105  -2.242
   26   1HG   ARG   6          2HG       ARG   6 -11.176  11.563  -3.407
   27   2HG   ARG   6          1HG       ARG   6 -11.775  11.700  -1.755
   28   1HD   ARG   6          2HD       ARG   6 -12.072  14.090  -3.517
   29   2HD   ARG   6          1HD       ARG   6 -13.127  12.714  -3.835
   30    HE   ARG   6           HE       ARG   6 -13.255  14.470  -1.501
   31   1HH1  ARG   6          1HH2      ARG   6 -13.361  12.404   0.237
   32   2HH1  ARG   6          2HH2      ARG   6 -14.873  11.588   0.016
   33   1HH2  ARG   6          2HH1      ARG   6 -15.465  12.967  -3.119
   34   2HH2  ARG   6          1HH1      ARG   6 -16.066  11.907  -1.888
   35    H    CYS   7           H        CYS   7  -8.178  11.531  -1.137
   36    HA   CYS   7           HA       CYS   7  -7.022   9.228  -2.429
   37   1HB   CYS   7          2HB       CYS   7  -7.667   9.958   0.410
   38   2HB   CYS   7          1HB       CYS   7  -7.211   8.304   0.020
   39    H    GLN   8           H        GLN   8  -8.095   7.500  -3.251
   40    HA   GLN   8           HA       GLN   8 -10.966   7.171  -2.747
   41   1HB   GLN   8          2HB       GLN   8  -9.278   6.561  -4.867
   42   2HB   GLN   8          1HB       GLN   8  -9.635   4.981  -4.169
   43   1HG   GLN   8          2HG       GLN   8 -11.914   6.881  -4.516
   44   2HG   GLN   8          1HG       GLN   8 -11.259   6.120  -5.966
   45   1HE2  GLN   8          2HE2      GLN   8 -13.595   3.952  -3.499
   46   2HE2  GLN   8          1HE2      GLN   8 -13.373   5.623  -3.301
   47    H    CYS   9           H        CYS   9  -8.230   6.215  -1.038
   48    HA   CYS   9           HA       CYS   9  -9.663   3.827   0.053
   49   1HB   CYS   9          2HB       CYS   9  -6.803   4.275  -0.675
   50   2HB   CYS   9          1HB       CYS   9  -7.141   3.297   0.747
   51    H    ILE  10           H        ILE  10 -10.586   4.648   1.892
   52    HA   ILE  10           HA       ILE  10  -9.357   6.694   3.535
   53    HB   ILE  10           HB       ILE  10 -11.564   4.733   4.259
   54   1HG1  ILE  10          2HG1      ILE  10 -12.654   7.265   3.761
   55   2HG1  ILE  10          1HG1      ILE  10 -11.491   7.029   2.456
   56   1HG2  ILE  10          2HG2      ILE  10 -10.780   7.422   5.429
   57   2HG2  ILE  10          1HG2      ILE  10 -12.196   6.483   5.900
   58   3HG2  ILE  10          3HG2      ILE  10 -10.577   5.855   6.211
   59   1HD1  ILE  10          2HD1      ILE  10 -13.127   4.651   3.063
   60   2HD1  ILE  10          1HD1      ILE  10 -14.045   6.027   2.453
   61   3HD1  ILE  10          3HD1      ILE  10 -12.714   5.366   1.504
   62    H    LYS  11           H        LYS  11  -9.327   3.171   3.513
   63    HA   LYS  11           HA       LYS  11  -7.509   3.216   5.897
   64   1HB   LYS  11          2HB       LYS  11  -9.508   1.157   4.942
   65   2HB   LYS  11          1HB       LYS  11  -8.215   0.741   6.065
   66   1HG   LYS  11          2HG       LYS  11  -9.931   3.132   6.649
   67   2HG   LYS  11          1HG       LYS  11 -10.564   1.521   6.986
   68   1HD   LYS  11          2HD       LYS  11  -8.780   1.026   8.493
   69   2HD   LYS  11          1HD       LYS  11  -7.847   2.425   7.961
   70   1HE   LYS  11          2HE       LYS  11  -9.156   3.926   9.145
   71   2HE   LYS  11          1HE       LYS  11 -10.582   2.890   9.088
   72   1HZ   LYS  11          1HZ       LYS  11  -8.142   2.319  10.684
   73   2HZ   LYS  11          3HZ       LYS  11  -9.562   3.006  11.306
   74   3HZ   LYS  11          2HZ       LYS  11  -9.588   1.424  10.687
   75    H    THR  12           H        THR  12  -5.837   1.410   5.822
   76    HA   THR  12           HA       THR  12  -5.112   0.678   3.026
   77    HB   THR  12           HB       THR  12  -2.650   1.069   4.155
   78    HG1  THR  12           HG1      THR  12  -3.201   2.202   5.894
   79   1HG2  THR  12          1HG2      THR  12  -3.401   1.707   1.912
   80   2HG2  THR  12          3HG2      THR  12  -4.315   3.051   2.597
   81   3HG2  THR  12          2HG2      THR  12  -2.554   3.037   2.701
   82    OH   TYR  13           OH       TYR  13  -2.736  -8.885   4.363
   83    H    TYR  13           H        TYR  13  -2.792  -0.655   3.463
   84    HA   TYR  13           HA       TYR  13  -3.695  -2.961   5.109
   85   1HB   TYR  13          2HB       TYR  13  -3.259  -3.062   2.533
   86   2HB   TYR  13          1HB       TYR  13  -1.559  -3.048   2.991
   87    HD1  TYR  13           HD1      TYR  13  -4.003  -4.589   5.234
   88    HD2  TYR  13           HD2      TYR  13  -1.242  -5.261   2.018
   89    HE1  TYR  13           HE1      TYR  13  -4.075  -7.030   5.693
   90    HE2  TYR  13           HE2      TYR  13  -1.311  -7.708   2.471
   91    HH   TYR  13           HH       TYR  13  -3.610  -9.206   4.132
   92    H    SER  14           H        SER  14  -2.521  -3.454   6.890
   93    HA   SER  14           HA       SER  14   0.126  -2.138   7.254
   94   1HB   SER  14          2HB       SER  14  -0.160  -2.759   9.655
   95   2HB   SER  14          1HB       SER  14  -1.472  -1.744   9.065
   96    HG   SER  14           HG       SER  14  -2.819  -3.361   9.289
   97    H    LYS  15           H        LYS  15  -1.457  -5.305   7.163
   98    HA   LYS  15           HA       LYS  15   0.960  -6.756   7.881
   99   1HB   LYS  15          2HB       LYS  15  -1.115  -8.149   6.299
  100   2HB   LYS  15          1HB       LYS  15  -0.297  -8.659   7.755
  101   1HG   LYS  15          2HG       LYS  15  -1.713  -6.647   8.812
  102   2HG   LYS  15          1HG       LYS  15  -2.782  -7.041   7.467
  103   1HD   LYS  15          2HD       LYS  15  -3.617  -8.562   8.959
  104   2HD   LYS  15          1HD       LYS  15  -2.268  -9.537   8.377
  105   1HE   LYS  15          2HE       LYS  15  -1.890  -7.631  10.681
  106   2HE   LYS  15          1HE       LYS  15  -2.563  -9.238  10.951
  107   1HZ   LYS  15          2HZ       LYS  15  -0.570 -10.080   9.667
  108   2HZ   LYS  15          1HZ       LYS  15   0.094  -8.528   9.859
  109   3HZ   LYS  15          3HZ       LYS  15  -0.265  -9.471  11.221
  110    HA   PRO  16           HA       PRO  16   2.709  -6.545   3.837
  111   1HB   PRO  16          2HB       PRO  16   4.794  -8.240   4.335
  112   2HB   PRO  16          1HB       PRO  16   4.723  -6.588   4.933
  113   1HG   PRO  16          2HG       PRO  16   4.399  -9.125   6.438
  114   2HG   PRO  16          1HG       PRO  16   4.846  -7.518   7.036
  115   1HD   PRO  16          2HD       PRO  16   2.264  -8.766   7.186
  116   2HD   PRO  16          1HD       PRO  16   2.683  -7.114   7.677
  117    H    PHE  17           H        PHE  17   3.216  -7.963   1.988
  118    HA   PHE  17           HA       PHE  17   2.604 -10.801   2.104
  119   1HB   PHE  17          2HB       PHE  17   0.591 -10.860   0.818
  120   2HB   PHE  17          1HB       PHE  17   0.310  -9.714   2.119
  121    HD1  PHE  17           HD1      PHE  17   0.853  -7.183   1.543
  122    HD2  PHE  17           HD2      PHE  17   0.114 -10.248  -1.377
  123    HE1  PHE  17           HE1      PHE  17   0.264  -5.451  -0.132
  124    HE2  PHE  17           HE2      PHE  17  -0.469  -8.513  -3.050
  125    HZ   PHE  17           HZ       PHE  17  -0.396  -6.117  -2.424
  126    H    HIS  18           H        HIS  18   2.957 -11.868   0.006
  127    HA   HIS  18           HA       HIS  18   5.165 -10.740  -1.426
  128   1HB   HIS  18          2HB       HIS  18   5.068 -13.086  -1.250
  129   2HB   HIS  18          1HB       HIS  18   3.413 -13.141  -1.844
  130    HD1  HIS  18           HD1      HIS  18   6.967 -12.851  -3.017
  131    HD2  HIS  18           HD2      HIS  18   3.137 -12.802  -4.582
  132    HE1  HIS  18           HE1      HIS  18   7.211 -13.033  -5.542
  133    HA   PRO  19           HA       PRO  19   3.098  -8.111  -4.250
  134   1HB   PRO  19          2HB       PRO  19   5.204  -7.676  -5.945
  135   2HB   PRO  19          1HB       PRO  19   5.044  -6.940  -4.342
  136   1HG   PRO  19          2HG       PRO  19   6.805  -9.184  -5.215
  137   2HG   PRO  19          1HG       PRO  19   7.052  -8.002  -3.919
  138   1HD   PRO  19          2HD       PRO  19   6.201 -10.662  -3.567
  139   2HD   PRO  19          1HD       PRO  19   6.088  -9.374  -2.354
  140    H    LYS  20           H        LYS  20   4.968 -10.729  -5.895
  141    HA   LYS  20           HA       LYS  20   3.893 -10.397  -8.455
  142   1HB   LYS  20          2HB       LYS  20   5.643 -12.131  -7.567
  143   2HB   LYS  20          1HB       LYS  20   4.232 -13.175  -7.515
  144   1HG   LYS  20          2HG       LYS  20   3.758 -12.633  -9.893
  145   2HG   LYS  20          1HG       LYS  20   5.228 -11.659  -9.936
  146   1HD   LYS  20          2HD       LYS  20   6.611 -13.586  -9.511
  147   2HD   LYS  20          1HD       LYS  20   5.201 -14.592  -9.183
  148   1HE   LYS  20          2HE       LYS  20   4.447 -14.283 -11.523
  149   2HE   LYS  20          1HE       LYS  20   5.882 -13.312 -11.848
  150   1HZ   LYS  20          3HZ       LYS  20   5.909 -16.138 -10.925
  151   2HZ   LYS  20          2HZ       LYS  20   6.151 -15.632 -12.529
  152   3HZ   LYS  20          1HZ       LYS  20   7.265 -15.200 -11.322
  153    H    PHE  21           H        PHE  21   2.209 -11.628  -5.645
  154    HA   PHE  21           HA       PHE  21   0.091 -13.037  -6.934
  155   1HB   PHE  21          2HB       PHE  21  -0.026 -11.383  -4.436
  156   2HB   PHE  21          1HB       PHE  21  -1.202 -12.582  -4.910
  157    HD1  PHE  21           HD1      PHE  21   1.173 -14.445  -6.050
  158    HD2  PHE  21           HD2      PHE  21   0.312 -12.554  -2.288
  159    HE1  PHE  21           HE1      PHE  21   2.493 -16.178  -4.868
  160    HE2  PHE  21           HE2      PHE  21   1.632 -14.287  -1.111
  161    HZ   PHE  21           HZ       PHE  21   2.721 -16.104  -2.404
  162    H    ILE  22           H        ILE  22   0.623  -9.638  -6.208
  163    HA   ILE  22           HA       ILE  22  -1.933  -8.599  -6.932
  164    HB   ILE  22           HB       ILE  22   0.793  -7.282  -7.166
  165   1HG1  ILE  22          2HG1      ILE  22  -1.077  -6.778  -4.891
  166   2HG1  ILE  22          1HG1      ILE  22  -0.187  -8.300  -4.883
  167   1HG2  ILE  22          1HG2      ILE  22  -2.035  -6.290  -7.294
  168   2HG2  ILE  22          3HG2      ILE  22  -0.771  -5.238  -6.659
  169   3HG2  ILE  22          2HG2      ILE  22  -0.659  -5.857  -8.306
  170   1HD1  ILE  22          3HD1      ILE  22   1.803  -6.565  -5.554
  171   2HD1  ILE  22          2HD1      ILE  22   0.804  -5.535  -4.530
  172   3HD1  ILE  22          1HD1      ILE  22   1.445  -7.050  -3.897
  173    H    LYS  23           H        LYS  23  -2.890  -8.612  -8.876
  174    HA   LYS  23           HA       LYS  23  -1.321  -9.143 -11.316
  175   1HB   LYS  23          2HB       LYS  23  -3.637 -10.149 -10.762
  176   2HB   LYS  23          1HB       LYS  23  -4.285  -8.564 -11.186
  177   1HG   LYS  23          2HG       LYS  23  -3.184  -8.726 -13.407
  178   2HG   LYS  23          1HG       LYS  23  -2.599 -10.334 -12.983
  179   1HD   LYS  23          2HD       LYS  23  -4.555 -10.840 -14.156
  180   2HD   LYS  23          1HD       LYS  23  -5.131 -10.829 -12.490
  181   1HE   LYS  23          2HE       LYS  23  -6.717  -9.444 -13.443
  182   2HE   LYS  23          1HE       LYS  23  -5.502  -8.240 -13.019
  183   1HZ   LYS  23          1HZ       LYS  23  -5.722  -9.580 -15.662
  184   2HZ   LYS  23          3HZ       LYS  23  -6.277  -8.016 -15.315
  185   3HZ   LYS  23          2HZ       LYS  23  -4.615  -8.360 -15.243
  186    H    GLU  24           H        GLU  24  -2.819  -6.442  -9.659
  187    HA   GLU  24           HA       GLU  24  -1.771  -4.627 -11.766
  188   1HB   GLU  24          2HB       GLU  24  -4.633  -4.952 -10.972
  189   2HB   GLU  24          1HB       GLU  24  -4.052  -3.311 -11.263
  190   1HG   GLU  24          2HG       GLU  24  -3.513  -3.760 -13.505
  191   2HG   GLU  24          1HG       GLU  24  -3.465  -5.504 -13.243
  192    HA   LEU  25           HA       LEU  25  -1.154  -2.697  -7.733
  193   1HB   LEU  25          2HB       LEU  25   0.854  -4.020  -7.558
  194   2HB   LEU  25          1HB       LEU  25   1.628  -3.119  -8.863
  195    HG   LEU  25           HG       LEU  25   0.670  -1.404  -6.673
  196   1HD1  LEU  25          3HD1      LEU  25   1.573  -3.705  -5.679
  197   2HD1  LEU  25          2HD1      LEU  25   3.131  -2.942  -5.992
  198   3HD1  LEU  25          1HD1      LEU  25   1.962  -2.157  -4.930
  199   1HD2  LEU  25          1HD2      LEU  25   2.794  -1.551  -8.649
  200   2HD2  LEU  25          3HD2      LEU  25   2.189  -0.147  -7.770
  201   3HD2  LEU  25          2HD2      LEU  25   3.448  -1.157  -7.060
  202    NH1  ARG  26           NH1      ARG  26  -6.046  -0.642  -9.361
  203    NH2  ARG  26           NH2      ARG  26  -6.433  -1.762 -11.295
  204    H    ARG  26           H        ARG  26  -2.082  -0.673  -8.096
  205    HA   ARG  26           HA       ARG  26  -0.365   1.247  -9.576
  206   1HB   ARG  26          2HB       ARG  26  -3.355   1.244  -9.359
  207   2HB   ARG  26          1HB       ARG  26  -2.417   2.474 -10.185
  208   1HG   ARG  26          2HG       ARG  26  -2.776   1.157 -12.016
  209   2HG   ARG  26          1HG       ARG  26  -1.437   0.217 -11.358
  210   1HD   ARG  26          2HD       ARG  26  -3.119  -1.399 -11.705
  211   2HD   ARG  26          1HD       ARG  26  -3.257  -1.026  -9.988
  212    HE   ARG  26           HE       ARG  26  -4.991   0.564 -11.761
  213   1HH1  ARG  26          2HH1      ARG  26  -5.526   0.038  -8.844
  214   2HH1  ARG  26          1HH1      ARG  26  -6.788  -1.146  -8.918
  215   1HH2  ARG  26          1HH2      ARG  26  -6.209  -1.937 -12.254
  216   2HH2  ARG  26          2HH2      ARG  26  -7.174  -2.269 -10.856
  217    H    VAL  27           H        VAL  27   0.360   2.954  -8.369
  218    HA   VAL  27           HA       VAL  27  -0.863   3.377  -5.693
  219    HB   VAL  27           HB       VAL  27   1.255   4.702  -5.288
  220   1HG1  VAL  27          1HG1      VAL  27   0.891   2.264  -4.683
  221   2HG1  VAL  27          3HG1      VAL  27   1.774   1.854  -6.152
  222   3HG1  VAL  27          2HG1      VAL  27   2.575   2.749  -4.861
  223   1HG2  VAL  27          3HG2      VAL  27   1.622   4.949  -7.855
  224   2HG2  VAL  27          2HG2      VAL  27   3.032   4.675  -6.833
  225   3HG2  VAL  27          1HG2      VAL  27   2.334   3.340  -7.748
  226    H    ILE  28           H        ILE  28  -1.473   5.519  -5.025
  227    HA   ILE  28           HA       ILE  28  -2.075   7.331  -7.319
  228    HB   ILE  28           HB       ILE  28  -3.148   7.364  -4.476
  229   1HG1  ILE  28          2HG1      ILE  28  -4.561   6.543  -7.032
  230   2HG1  ILE  28          1HG1      ILE  28  -3.810   5.385  -5.932
  231   1HG2  ILE  28          3HG2      ILE  28  -3.765   8.986  -6.957
  232   2HG2  ILE  28          2HG2      ILE  28  -4.892   8.868  -5.607
  233   3HG2  ILE  28          1HG2      ILE  28  -3.296   9.577  -5.363
  234   1HD1  ILE  28          3HD1      ILE  28  -5.815   7.412  -4.940
  235   2HD1  ILE  28          2HD1      ILE  28  -6.330   5.865  -5.608
  236   3HD1  ILE  28          1HD1      ILE  28  -5.306   5.908  -4.174
  237    H    GLU  29           H        GLU  29  -1.255   9.433  -7.375
  238    HA   GLU  29           HA       GLU  29   1.096   9.983  -5.753
  239   1HB   GLU  29          2HB       GLU  29  -0.415  11.654  -7.779
  240   2HB   GLU  29          1HB       GLU  29   1.096  12.144  -7.027
  241   1HG   GLU  29          2HG       GLU  29   1.879   9.735  -7.870
  242   2HG   GLU  29          1HG       GLU  29   0.599  10.008  -9.054
  243    H    SER  30           H        SER  30   1.258  12.265  -4.714
  244    HA   SER  30           HA       SER  30  -1.208  12.720  -3.089
  245   1HB   SER  30          2HB       SER  30   0.658  13.962  -1.634
  246   2HB   SER  30          1HB       SER  30   0.357  12.239  -1.473
  247    HG   SER  30           HG       SER  30   2.466  13.609  -2.696
  248    H    GLY  31           H        GLY  31  -1.665  14.958  -2.495
  249   1HA   GLY  31          2HA       GLY  31  -0.355  17.230  -3.608
  250   2HA   GLY  31          1HA       GLY  31  -1.643  16.753  -4.705
  251    HA   PRO  32           HA       PRO  32  -3.747  19.417  -1.638
  252   1HB   PRO  32          2HB       PRO  32  -5.451  20.522  -3.502
  253   2HB   PRO  32          1HB       PRO  32  -3.846  21.174  -3.133
  254   1HG   PRO  32          2HG       PRO  32  -4.732  19.589  -5.507
  255   2HG   PRO  32          1HG       PRO  32  -3.445  20.801  -5.383
  256   1HD   PRO  32          2HD       PRO  32  -3.045  18.019  -5.427
  257   2HD   PRO  32          1HD       PRO  32  -1.858  19.217  -4.870
  258    H    HIS  33           H        HIS  33  -4.972  17.381  -4.239
  259    HA   HIS  33           HA       HIS  33  -7.636  16.941  -3.367
  260   1HB   HIS  33          2HB       HIS  33  -7.444  14.783  -4.653
  261   2HB   HIS  33          1HB       HIS  33  -6.914  16.190  -5.571
  262    HD1  HIS  33           HD1      HIS  33  -4.301  16.497  -5.884
  263    HD2  HIS  33           HD2      HIS  33  -5.403  12.900  -4.087
  264    HE1  HIS  33           HE1      HIS  33  -2.221  15.059  -5.837
  265    H    CYS  34           H        CYS  34  -4.593  15.394  -2.414
  266    HA   CYS  34           HA       CYS  34  -5.846  14.421   0.031
  267   1HB   CYS  34          2HB       CYS  34  -6.044  12.591  -1.789
  268   2HB   CYS  34          1HB       CYS  34  -4.292  12.450  -1.643
  269    H    ALA  35           H        ALA  35  -4.456  15.044   1.605
  270    HA   ALA  35           HA       ALA  35  -1.783  15.936   1.067
  271   1HB   ALA  35          2HB       ALA  35  -3.277  16.619   3.019
  272   2HB   ALA  35          1HB       ALA  35  -2.834  15.086   3.771
  273   3HB   ALA  35          3HB       ALA  35  -1.592  16.288   3.423
  274    H    ASN  36           H        ASN  36  -3.034  12.887   2.416
  275    HA   ASN  36           HA       ASN  36  -0.285  11.817   2.626
  276   1HB   ASN  36          2HB       ASN  36  -2.984  10.990   3.596
  277   2HB   ASN  36          1HB       ASN  36  -1.791   9.721   3.327
  278   1HD2  ASN  36          2HD2      ASN  36  -1.146  12.469   6.313
  279   2HD2  ASN  36          1HD2      ASN  36  -2.266  12.821   5.088
  280    H    THR  37           H        THR  37   0.489  10.098   1.383
  281    HA   THR  37           HA       THR  37  -0.836   9.700  -1.227
  282    HB   THR  37           HB       THR  37   1.675   8.266  -0.392
  283    HG1  THR  37           HG1      THR  37   2.720  10.060  -0.175
  284   1HG2  THR  37          1HG2      THR  37   0.581   9.483  -2.932
  285   2HG2  THR  37          3HG2      THR  37   2.248   8.923  -2.789
  286   3HG2  THR  37          2HG2      THR  37   0.916   7.783  -2.601
  287    H    GLU  38           H        GLU  38  -1.313   7.476  -2.027
  288    HA   GLU  38           HA       GLU  38  -1.497   5.404   0.099
  289   1HB   GLU  38          2HB       GLU  38  -3.683   6.933  -0.394
  290   2HB   GLU  38          1HB       GLU  38  -3.912   5.672  -1.605
  291   1HG   GLU  38          2HG       GLU  38  -4.960   4.704   0.233
  292   2HG   GLU  38          1HG       GLU  38  -3.326   4.059   0.405
  293    H    ILE  39           H        ILE  39  -1.153   3.360  -0.669
  294    HA   ILE  39           HA       ILE  39  -0.598   3.075  -3.573
  295    HB   ILE  39           HB       ILE  39  -0.006   1.374  -1.130
  296   1HG1  ILE  39          2HG1      ILE  39   2.283   1.894  -2.714
  297   2HG1  ILE  39          1HG1      ILE  39   1.395   3.414  -2.621
  298   1HG2  ILE  39          3HG2      ILE  39   0.280   0.704  -4.061
  299   2HG2  ILE  39          2HG2      ILE  39   1.322  -0.032  -2.845
  300   3HG2  ILE  39          1HG2      ILE  39  -0.422  -0.277  -2.775
  301   1HD1  ILE  39          2HD1      ILE  39   1.538   1.969  -0.060
  302   2HD1  ILE  39          1HD1      ILE  39   3.108   2.477  -0.681
  303   3HD1  ILE  39          3HD1      ILE  39   1.839   3.670  -0.411
  304    H    ILE  40           H        ILE  40  -1.523   1.156  -4.712
  305    HA   ILE  40           HA       ILE  40  -3.899  -0.077  -3.446
  306    HB   ILE  40           HB       ILE  40  -4.108   1.265  -6.160
  307   1HG1  ILE  40          2HG1      ILE  40  -5.374   2.141  -3.545
  308   2HG1  ILE  40          1HG1      ILE  40  -3.925   2.881  -4.220
  309   1HG2  ILE  40          3HG2      ILE  40  -5.999  -0.258  -4.360
  310   2HG2  ILE  40          2HG2      ILE  40  -6.594   0.830  -5.615
  311   3HG2  ILE  40          1HG2      ILE  40  -5.612  -0.568  -6.052
  312   1HD1  ILE  40          3HD1      ILE  40  -6.440   2.618  -5.861
  313   2HD1  ILE  40          2HD1      ILE  40  -6.202   3.984  -4.773
  314   3HD1  ILE  40          1HD1      ILE  40  -5.079   3.713  -6.105
  315    H    VAL  41           H        VAL  41  -4.157  -2.168  -4.137
  316    HA   VAL  41           HA       VAL  41  -2.692  -3.069  -6.543
  317    HB   VAL  41           HB       VAL  41  -1.968  -5.067  -5.239
  318   1HG1  VAL  41          3HG1      VAL  41  -0.498  -3.073  -5.638
  319   2HG1  VAL  41          2HG1      VAL  41  -0.979  -2.474  -4.051
  320   3HG1  VAL  41          1HG1      VAL  41  -0.082  -3.985  -4.189
  321   1HG2  VAL  41          1HG2      VAL  41  -3.783  -4.407  -3.392
  322   2HG2  VAL  41          3HG2      VAL  41  -2.335  -5.325  -2.982
  323   3HG2  VAL  41          2HG2      VAL  41  -2.387  -3.586  -2.694
  324    H    LYS  42           H        LYS  42  -3.489  -5.244  -7.252
  325    HA   LYS  42           HA       LYS  42  -6.259  -5.815  -6.309
  326   1HB   LYS  42          2HB       LYS  42  -5.596  -4.724  -8.804
  327   2HB   LYS  42          1HB       LYS  42  -5.847  -6.439  -9.132
  328   1HG   LYS  42          2HG       LYS  42  -7.999  -6.202  -7.724
  329   2HG   LYS  42          1HG       LYS  42  -7.781  -4.463  -7.922
  330   1HD   LYS  42          2HD       LYS  42  -7.797  -4.710 -10.361
  331   2HD   LYS  42          1HD       LYS  42  -7.940  -6.462 -10.200
  332   1HE   LYS  42          2HE       LYS  42 -10.170  -5.874 -10.494
  333   2HE   LYS  42          1HE       LYS  42 -10.053  -5.845  -8.734
  334   1HZ   LYS  42          2HZ       LYS  42  -9.642  -3.462  -8.840
  335   2HZ   LYS  42          1HZ       LYS  42  -9.778  -3.495 -10.534
  336   3HZ   LYS  42          3HZ       LYS  42 -11.125  -3.853  -9.569
  337    H    LEU  43           H        LEU  43  -5.677  -7.662  -5.147
  338    HA   LEU  43           HA       LEU  43  -3.776  -9.612  -5.829
  339   1HB   LEU  43          2HB       LEU  43  -6.336  -9.742  -4.257
  340   2HB   LEU  43          1HB       LEU  43  -5.333 -11.163  -4.470
  341    HG   LEU  43           HG       LEU  43  -4.297  -8.533  -3.381
  342   1HD1  LEU  43          1HD1      LEU  43  -5.393 -10.980  -1.991
  343   2HD1  LEU  43          3HD1      LEU  43  -4.245  -9.903  -1.195
  344   3HD1  LEU  43          2HD1      LEU  43  -5.812  -9.288  -1.722
  345   1HD2  LEU  43          3HD2      LEU  43  -3.162 -11.305  -3.746
  346   2HD2  LEU  43          2HD2      LEU  43  -2.462  -9.756  -4.215
  347   3HD2  LEU  43          1HD2      LEU  43  -2.511 -10.223  -2.516
  348    H    SER  44           H        SER  44  -3.853 -11.526  -6.977
  349    HA   SER  44           HA       SER  44  -5.383 -11.671  -9.343
  350   1HB   SER  44          2HB       SER  44  -3.669 -13.611  -7.838
  351   2HB   SER  44          1HB       SER  44  -4.636 -14.196  -9.190
  352    HG   SER  44           HG       SER  44  -3.172 -13.358 -10.430
  353    H    ASP  45           H        ASP  45  -6.180 -12.739  -6.112
  354    HA   ASP  45           HA       ASP  45  -8.213 -14.628  -6.896
  355   1HB   ASP  45          2HB       ASP  45  -7.685 -13.204  -4.280
  356   2HB   ASP  45          1HB       ASP  45  -8.898 -14.466  -4.486
  357    H    GLY  46           H        GLY  46  -8.168 -11.378  -7.417
  358   1HA   GLY  46          2HA       GLY  46  -9.978 -10.045  -8.186
  359   2HA   GLY  46          1HA       GLY  46 -11.101 -11.223  -7.507
  360    NH1  ARG  47           NH2      ARG  47 -11.875  -8.625   1.432
  361    NH2  ARG  47           NH1      ARG  47 -12.623 -10.596   0.598
  362    H    ARG  47           H        ARG  47  -8.390  -9.808  -5.721
  363    HA   ARG  47           HA       ARG  47 -10.399  -8.542  -3.895
  364   1HB   ARG  47          2HB       ARG  47  -8.735 -10.438  -3.161
  365   2HB   ARG  47          1HB       ARG  47  -7.552  -9.134  -3.140
  366   1HG   ARG  47          2HG       ARG  47  -8.384  -9.152  -0.934
  367   2HG   ARG  47          1HG       ARG  47  -9.302  -7.859  -1.701
  368   1HD   ARG  47          2HD       ARG  47 -11.265  -9.063  -1.707
  369   2HD   ARG  47          1HD       ARG  47 -10.437 -10.610  -1.876
  370    HE   ARG  47           HE       ARG  47  -9.744 -10.149   0.615
  371   1HH1  ARG  47          1HH2      ARG  47 -11.151  -7.940   1.519
  372   2HH1  ARG  47          2HH2      ARG  47 -12.750  -8.488   1.896
  373   1HH2  ARG  47          1HH1      ARG  47 -13.499 -10.461   1.063
  374   2HH2  ARG  47          2HH1      ARG  47 -12.471 -11.417   0.048
  375    H    GLU  48           H        GLU  48  -9.698  -6.485  -2.884
  376    HA   GLU  48           HA       GLU  48  -7.665  -4.980  -4.471
  377   1HB   GLU  48          2HB       GLU  48 -10.359  -4.548  -4.786
  378   2HB   GLU  48          1HB       GLU  48  -9.974  -3.404  -3.500
  379   1HG   GLU  48          2HG       GLU  48  -8.068  -2.563  -4.910
  380   2HG   GLU  48          1HG       GLU  48  -8.642  -3.599  -6.218
  381    H    LEU  49           H        LEU  49  -6.103  -4.482  -3.007
  382    HA   LEU  49           HA       LEU  49  -6.983  -3.618  -0.271
  383   1HB   LEU  49          2HB       LEU  49  -5.169  -5.760  -1.062
  384   2HB   LEU  49          1HB       LEU  49  -4.373  -4.582  -0.018
  385    HG   LEU  49           HG       LEU  49  -6.516  -4.781   1.452
  386   1HD1  LEU  49          1HD1      LEU  49  -6.675  -7.220  -0.328
  387   2HD1  LEU  49          3HD1      LEU  49  -7.396  -7.189   1.282
  388   3HD1  LEU  49          2HD1      LEU  49  -7.949  -6.059   0.046
  389   1HD2  LEU  49          3HD2      LEU  49  -4.118  -5.677   1.847
  390   2HD2  LEU  49          2HD2      LEU  49  -5.423  -6.421   2.768
  391   3HD2  LEU  49          1HD2      LEU  49  -4.763  -7.241   1.353
  392    H    CYS  50           H        CYS  50  -6.324  -1.579   0.200
  393    HA   CYS  50           HA       CYS  50  -4.307  -0.268  -1.505
  394   1HB   CYS  50          2HB       CYS  50  -5.196   1.201   0.842
  395   2HB   CYS  50          1HB       CYS  50  -5.192   1.693  -0.834
  396    H    LEU  51           H        LEU  51  -2.185  -0.022  -0.842
  397    HA   LEU  51           HA       LEU  51  -1.478  -1.254   1.723
  398   1HB   LEU  51          2HB       LEU  51   0.337  -0.258  -0.459
  399   2HB   LEU  51          1HB       LEU  51   0.785  -1.266   0.896
  400    HG   LEU  51           HG       LEU  51  -0.781  -2.000  -1.552
  401   1HD1  LEU  51          1HD1      LEU  51   1.678  -2.493  -1.193
  402   2HD1  LEU  51          3HD1      LEU  51   1.193  -3.565   0.120
  403   3HD1  LEU  51          2HD1      LEU  51   0.678  -3.906  -1.531
  404   1HD2  LEU  51          3HD2      LEU  51  -1.110  -3.193   1.211
  405   2HD2  LEU  51          2HD2      LEU  51  -2.370  -2.703   0.079
  406   3HD2  LEU  51          1HD2      LEU  51  -1.407  -4.142  -0.245
  407    H    ASP  52           H        ASP  52  -0.052  -0.303   3.180
  408    HA   ASP  52           HA       ASP  52  -0.314   2.652   3.368
  409   1HB   ASP  52          2HB       ASP  52  -1.044   0.907   5.208
  410   2HB   ASP  52          1HB       ASP  52   0.674   0.888   5.590
  411    HA   PRO  53           HA       PRO  53   4.011   2.656   2.216
  412   1HB   PRO  53          2HB       PRO  53   4.245   5.405   2.230
  413   2HB   PRO  53          1HB       PRO  53   3.594   4.467   0.876
  414   1HG   PRO  53          2HG       PRO  53   2.130   6.095   2.914
  415   2HG   PRO  53          1HG       PRO  53   1.700   5.754   1.229
  416   1HD   PRO  53          2HD       PRO  53   0.562   4.488   3.447
  417   2HD   PRO  53          1HD       PRO  53   0.540   3.847   1.790
  418    H    LYS  54           H        LYS  54   2.584   3.636   5.168
  419    HA   LYS  54           HA       LYS  54   4.765   4.844   6.510
  420   1HB   LYS  54          2HB       LYS  54   2.276   3.431   7.324
  421   2HB   LYS  54          1HB       LYS  54   3.542   3.578   8.540
  422   1HG   LYS  54          2HG       LYS  54   3.629   6.046   8.054
  423   2HG   LYS  54          1HG       LYS  54   2.230   5.837   6.999
  424   1HD   LYS  54          2HD       LYS  54   0.802   5.306   8.776
  425   2HD   LYS  54          1HD       LYS  54   2.131   4.828   9.832
  426   1HE   LYS  54          2HE       LYS  54   1.508   6.923  10.697
  427   2HE   LYS  54          1HE       LYS  54   2.868   7.321   9.649
  428   1HZ   LYS  54          2HZ       LYS  54   0.018   7.451   8.820
  429   2HZ   LYS  54          1HZ       LYS  54   0.928   8.788   9.341
  430   3HZ   LYS  54          3HZ       LYS  54   1.364   7.970   7.922
  431    H    GLU  55           H        GLU  55   4.059   1.461   5.756
  432    HA   GLU  55           HA       GLU  55   6.125   0.439   7.560
  433   1HB   GLU  55          2HB       GLU  55   4.512  -0.856   5.350
  434   2HB   GLU  55          1HB       GLU  55   5.657  -1.714   6.365
  435   1HG   GLU  55          2HG       GLU  55   3.816  -2.094   7.652
  436   2HG   GLU  55          1HG       GLU  55   4.191  -0.498   8.270
  437    H    ASN  56           H        ASN  56   7.869  -0.938   6.615
  438    HA   ASN  56           HA       ASN  56   9.184   0.488   4.386
  439   1HB   ASN  56          2HB       ASN  56  10.067  -0.885   6.728
  440   2HB   ASN  56          1HB       ASN  56  10.798  -1.622   5.311
  441   1HD2  ASN  56          2HD2      ASN  56  12.614   1.355   4.404
  442   2HD2  ASN  56          1HD2      ASN  56  11.901  -0.040   3.750
  443    CH2  TRP  57           CH2      TRP  57   1.700  -4.590   2.422
  444    H    TRP  57           H        TRP  57   7.371  -2.372   4.982
  445    HA   TRP  57           HA       TRP  57   8.518  -3.879   2.795
  446   1HB   TRP  57          2HB       TRP  57   6.969  -5.583   3.361
  447   2HB   TRP  57          1HB       TRP  57   7.491  -4.896   4.869
  448    HD1  TRP  57           HD1      TRP  57   5.722  -3.862   6.373
  449    HE1  TRP  57           HE1      TRP  57   3.167  -3.696   6.265
  450    HE3  TRP  57           HE3      TRP  57   4.938  -5.155   1.511
  451    HZ2  TRP  57           HZ2      TRP  57   1.058  -3.988   4.388
  452    HZ3  TRP  57           HZ3      TRP  57   2.646  -5.179   0.586
  453    HH2  TRP  57           HH2      TRP  57   0.702  -4.605   2.009
  454    H    VAL  58           H        VAL  58   5.644  -1.882   3.338
  455    HA   VAL  58           HA       VAL  58   4.393  -2.458   0.809
  456    HB   VAL  58           HB       VAL  58   4.207  -0.199   2.783
  457   1HG1  VAL  58          3HG1      VAL  58   3.061  -0.275  -0.006
  458   2HG1  VAL  58          2HG1      VAL  58   2.292   0.650   1.283
  459   3HG1  VAL  58          1HG1      VAL  58   3.936   1.039   0.779
  460   1HG2  VAL  58          2HG2      VAL  58   2.454  -2.417   1.793
  461   2HG2  VAL  58          1HG2      VAL  58   2.892  -2.002   3.449
  462   3HG2  VAL  58          3HG2      VAL  58   1.739  -1.005   2.564
  463    H    GLN  59           H        GLN  59   6.727   0.051   1.829
  464    HA   GLN  59           HA       GLN  59   6.863   1.268  -0.779
  465   1HB   GLN  59          2HB       GLN  59   8.760   2.508   0.105
  466   2HB   GLN  59          1HB       GLN  59   7.439   2.505   1.268
  467   1HG   GLN  59          2HG       GLN  59   8.493   0.623   2.442
  468   2HG   GLN  59          1HG       GLN  59   9.821   0.653   1.292
  469   1HE2  GLN  59          2HE2      GLN  59   9.649   3.485   4.242
  470   2HE2  GLN  59          1HE2      GLN  59   8.332   2.445   3.984
  471    NH1  ARG  60           NH1      ARG  60  15.116  -4.541  -0.952
  472    NH2  ARG  60           NH2      ARG  60  16.124  -2.953   0.318
  473    H    ARG  60           H        ARG  60   8.556  -1.385   0.781
  474    HA   ARG  60           HA       ARG  60  10.653  -1.538  -1.258
  475   1HB   ARG  60          2HB       ARG  60  10.620  -2.478   1.227
  476   2HB   ARG  60          1HB       ARG  60   9.889  -3.881   0.455
  477   1HG   ARG  60          2HG       ARG  60  12.112  -4.456   0.229
  478   2HG   ARG  60          1HG       ARG  60  11.905  -3.532  -1.259
  479   1HD   ARG  60          2HD       ARG  60  12.549  -1.489   0.300
  480   2HD   ARG  60          1HD       ARG  60  13.297  -2.753   1.277
  481    HE   ARG  60           HE       ARG  60  14.134  -1.944  -1.443
  482   1HH1  ARG  60          2HH1      ARG  60  14.349  -4.835  -1.523
  483   2HH1  ARG  60          1HH1      ARG  60  15.879  -5.165  -0.780
  484   1HH2  ARG  60          1HH2      ARG  60  16.127  -2.035   0.717
  485   2HH2  ARG  60          2HH2      ARG  60  16.890  -3.574   0.492
  486    H    VAL  61           H        VAL  61   7.613  -3.195  -0.497
  487    HA   VAL  61           HA       VAL  61   7.659  -5.115  -2.608
  488    HB   VAL  61           HB       VAL  61   5.478  -3.795  -0.994
  489   1HG1  VAL  61          1HG1      VAL  61   5.189  -5.346  -3.507
  490   2HG1  VAL  61          3HG1      VAL  61   4.139  -5.822  -2.173
  491   3HG1  VAL  61          2HG1      VAL  61   4.101  -4.165  -2.776
  492   1HG2  VAL  61          3HG2      VAL  61   6.642  -6.579  -1.211
  493   2HG2  VAL  61          2HG2      VAL  61   6.719  -5.484   0.168
  494   3HG2  VAL  61          1HG2      VAL  61   5.183  -6.217  -0.289
  495    H    VAL  62           H        VAL  62   6.473  -1.764  -2.497
  496    HA   VAL  62           HA       VAL  62   5.386  -1.751  -5.166
  497    HB   VAL  62           HB       VAL  62   6.339   0.480  -3.343
  498   1HG1  VAL  62          2HG1      VAL  62   5.030   0.603  -6.072
  499   2HG1  VAL  62          1HG1      VAL  62   5.009   1.952  -4.937
  500   3HG1  VAL  62          3HG1      VAL  62   6.544   1.356  -5.568
  501   1HG2  VAL  62          1HG2      VAL  62   4.184  -1.064  -3.010
  502   2HG2  VAL  62          3HG2      VAL  62   4.133   0.666  -2.671
  503   3HG2  VAL  62          2HG2      VAL  62   3.504   0.048  -4.197
  504    H    GLU  63           H        GLU  63   8.592  -0.889  -3.844
  505    HA   GLU  63           HA       GLU  63   9.662   0.028  -6.339
  506   1HB   GLU  63          2HB       GLU  63  10.706  -0.578  -3.647
  507   2HB   GLU  63          1HB       GLU  63  11.864  -0.833  -4.952
  508   1HG   GLU  63          2HG       GLU  63  12.209   1.422  -4.522
  509   2HG   GLU  63          1HG       GLU  63  10.974   1.522  -5.775
  510    H    LYS  64           H        LYS  64   9.792  -3.131  -4.664
  511    HA   LYS  64           HA       LYS  64  11.407  -4.437  -6.614
  512   1HB   LYS  64          2HB       LYS  64  10.661  -5.193  -4.206
  513   2HB   LYS  64          1HB       LYS  64   9.305  -5.919  -5.067
  514   1HG   LYS  64          2HG       LYS  64  11.002  -7.609  -4.928
  515   2HG   LYS  64          1HG       LYS  64  11.012  -7.027  -6.593
  516   1HD   LYS  64          2HD       LYS  64  13.012  -5.857  -6.316
  517   2HD   LYS  64          1HD       LYS  64  12.808  -5.722  -4.570
  518   1HE   LYS  64          2HE       LYS  64  13.356  -8.036  -4.240
  519   2HE   LYS  64          1HE       LYS  64  13.274  -8.366  -5.971
  520   1HZ   LYS  64          2HZ       LYS  64  15.231  -6.551  -4.662
  521   2HZ   LYS  64          1HZ       LYS  64  15.560  -8.131  -5.191
  522   3HZ   LYS  64          3HZ       LYS  64  15.168  -6.927  -6.318
  523    H    PHE  65           H        PHE  65   7.909  -3.921  -6.368
  524    HA   PHE  65           HA       PHE  65   7.249  -5.656  -8.607
  525   1HB   PHE  65          2HB       PHE  65   5.782  -4.775  -6.600
  526   2HB   PHE  65          1HB       PHE  65   5.501  -3.406  -7.668
  527    HD1  PHE  65           HD2      PHE  65   5.505  -7.165  -7.731
  528    HD2  PHE  65           HD1      PHE  65   3.757  -3.530  -9.207
  529    HE1  PHE  65           HE2      PHE  65   3.814  -8.481  -8.978
  530    HE2  PHE  65           HE1      PHE  65   2.066  -4.845 -10.453
  531    HZ   PHE  65           HZ       PHE  65   2.094  -7.323 -10.340
  532    H    LEU  66           H        LEU  66   7.571  -2.125  -8.155
  533    HA   LEU  66           HA       LEU  66   6.905  -1.415 -10.858
  534   1HB   LEU  66          2HB       LEU  66   6.982   0.134  -8.835
  535   2HB   LEU  66          1HB       LEU  66   8.735   0.145  -9.018
  536    HG   LEU  66           HG       LEU  66   7.213   0.666 -11.505
  537   1HD1  LEU  66          2HD1      LEU  66   5.924   1.867  -9.657
  538   2HD1  LEU  66          1HD1      LEU  66   7.381   2.825  -9.388
  539   3HD1  LEU  66          3HD1      LEU  66   6.552   2.898 -10.943
  540   1HD2  LEU  66          2HD2      LEU  66   9.671   1.699 -10.094
  541   2HD2  LEU  66          1HD2      LEU  66   9.546   0.927 -11.675
  542   3HD2  LEU  66          3HD2      LEU  66   8.987   2.585 -11.457
  543    H    LYS  67           H        LYS  67  10.062  -1.942  -9.248
  544    HA   LYS  67           HA       LYS  67  11.736  -1.310 -11.452
  545   1HB   LYS  67          2HB       LYS  67  12.037  -3.139  -9.081
  546   2HB   LYS  67          1HB       LYS  67  13.279  -3.114 -10.333
  547   1HG   LYS  67          2HG       LYS  67  12.298  -0.516  -9.183
  548   2HG   LYS  67          1HG       LYS  67  13.467  -1.478  -8.278
  549   1HD   LYS  67          2HD       LYS  67  14.739  -1.574 -10.582
  550   2HD   LYS  67          1HD       LYS  67  13.779  -0.141 -10.949
  551   1HE   LYS  67          2HE       LYS  67  14.623   0.955  -8.906
  552   2HE   LYS  67          1HE       LYS  67  15.578  -0.478  -8.528
  553   1HZ   LYS  67          3HZ       LYS  67  16.739  -0.179 -10.655
  554   2HZ   LYS  67          2HZ       LYS  67  15.867   1.255 -10.924
  555   3HZ   LYS  67          1HZ       LYS  67  16.948   1.147  -9.618
  556    NH1  ARG  68           NH1      ARG  68  13.697  -0.120 -14.690
  557    NH2  ARG  68           NH2      ARG  68  12.718   1.157 -16.290
  558    H    ARG  68           H        ARG  68  11.943  -2.271 -13.413
  559    HA   ARG  68           HA       ARG  68  10.854  -5.031 -13.755
  560   1HB   ARG  68          2HB       ARG  68  10.739  -4.481 -16.168
  561   2HB   ARG  68          1HB       ARG  68   9.820  -3.341 -15.199
  562   1HG   ARG  68          2HG       ARG  68  12.538  -2.412 -15.428
  563   2HG   ARG  68          1HG       ARG  68  11.903  -2.761 -17.034
  564   1HD   ARG  68          2HD       ARG  68  10.775  -0.815 -16.967
  565   2HD   ARG  68          1HD       ARG  68   9.819  -1.457 -15.630
  566    HE   ARG  68           HE       ARG  68  11.013  -0.014 -14.212
  567   1HH1  ARG  68          2HH1      ARG  68  13.625  -0.806 -13.967
  568   2HH1  ARG  68          1HH1      ARG  68  14.586   0.278 -14.916
  569   1HH2  ARG  68          1HH2      ARG  68  11.900   1.446 -16.788
  570   2HH2  ARG  68          2HH2      ARG  68  13.608   1.555 -16.518
  571    H    ALA  69           H        ALA  69  12.064  -6.045 -15.852
  572    HA   ALA  69           HA       ALA  69  14.975  -5.607 -15.796
  573   1HB   ALA  69          2HB       ALA  69  14.583  -7.110 -13.850
  574   2HB   ALA  69          1HB       ALA  69  13.796  -8.267 -14.922
  575   3HB   ALA  69          3HB       ALA  69  15.513  -7.908 -15.120
  576    H    GLU  70           H        GLU  70  13.311  -5.204 -17.933
  577    HA   GLU  70           HA       GLU  70  13.927  -7.542 -19.699
  578   1HB   GLU  70          2HB       GLU  70  11.452  -5.789 -19.697
  579   2HB   GLU  70          1HB       GLU  70  11.854  -6.913 -20.996
  580   1HG   GLU  70          2HG       GLU  70  11.441  -8.782 -19.695
  581   2HG   GLU  70          1HG       GLU  70  11.842  -7.955 -18.190
  582    H    ASN  71           H        ASN  71  12.838  -4.128 -20.027
  583    HA   ASN  71           HA       ASN  71  15.282  -3.322 -21.365
  584   1HB   ASN  71          2HB       ASN  71  14.171  -2.828 -23.581
  585   2HB   ASN  71          1HB       ASN  71  14.396  -4.545 -23.251
  586   1HD2  ASN  71          2HD2      ASN  71  10.917  -5.245 -23.086
  587   2HD2  ASN  71          1HD2      ASN  71  12.482  -5.843 -22.819
  588    H    SER  72           H        SER  72  15.193  -1.027 -22.014
  589    HA   SER  72           HA       SER  72  14.583   1.207 -21.671
  590   1HB   SER  72          2HB       SER  72  12.371   0.057 -22.683
  591   2HB   SER  72          1HB       SER  72  11.742   0.508 -21.100
  592    HG   SER  72           HG       SER  72  12.023   2.054 -23.176
  593   1HC   CH3  25          1H        LEU  25  -0.871  -2.080 -11.314
  594   2HC   CH3  25          2H        LEU  25   0.735  -2.601 -10.804
  595   3HC   CH3  25          3H        LEU  25  -0.293  -3.694 -11.725
   
  Start of MODEL           3
 Raw file had  595 H/Q atoms
  Start of MODEL    3
    1   1H    GLU   4          1H        GLU   4 -15.549  15.641  -4.007
    2   2H    GLU   4          3H        GLU   4 -16.241  15.311  -5.520
    3   3H    GLU   4          2H        GLU   4 -15.190  14.187  -4.806
    4    HA   GLU   4           HA       GLU   4 -14.033  15.353  -6.547
    5   1HB   GLU   4          2HB       GLU   4 -15.110  17.732  -5.045
    6   2HB   GLU   4          1HB       GLU   4 -13.637  17.882  -6.005
    7   1HG   GLU   4          2HG       GLU   4 -15.071  16.698  -7.869
    8   2HG   GLU   4          1HG       GLU   4 -16.436  17.281  -6.917
    9    H    LEU   5           H        LEU   5 -11.789  15.592  -6.297
   10    HA   LEU   5           HA       LEU   5  -9.812  14.981  -5.166
   11   1HB   LEU   5          2HB       LEU   5  -8.943  16.842  -3.906
   12   2HB   LEU   5          1HB       LEU   5  -9.920  17.483  -5.221
   13    HG   LEU   5           HG       LEU   5 -11.538  17.030  -2.843
   14   1HD1  LEU   5          1HD1      LEU   5  -9.109  18.818  -2.591
   15   2HD1  LEU   5          3HD1      LEU   5 -10.507  18.897  -1.518
   16   3HD1  LEU   5          2HD1      LEU   5  -9.523  17.436  -1.577
   17   1HD2  LEU   5          2HD2      LEU   5 -11.085  19.030  -4.940
   18   2HD2  LEU   5          1HD2      LEU   5 -12.576  18.599  -4.101
   19   3HD2  LEU   5          3HD2      LEU   5 -11.454  19.747  -3.370
   20    NH1  ARG   6           NH1      ARG   6 -17.736  12.256  -4.915
   21    NH2  ARG   6           NH2      ARG   6 -17.621  10.395  -3.621
   22    H    ARG   6           H        ARG   6 -11.506  13.191  -4.141
   23    HA   ARG   6           HA       ARG   6 -11.157  13.414  -1.185
   24   1HB   ARG   6          2HB       ARG   6 -12.881  11.314  -1.490
   25   2HB   ARG   6          1HB       ARG   6 -13.366  12.969  -1.151
   26   1HG   ARG   6          2HG       ARG   6 -13.486  13.344  -3.655
   27   2HG   ARG   6          1HG       ARG   6 -13.241  11.609  -3.854
   28   1HD   ARG   6          2HD       ARG   6 -15.229  11.473  -2.104
   29   2HD   ARG   6          1HD       ARG   6 -15.591  13.080  -2.732
   30    HE   ARG   6           HE       ARG   6 -15.166  11.219  -4.897
   31   1HH1  ARG   6          2HH1      ARG   6 -17.283  13.016  -5.381
   32   2HH1  ARG   6          1HH1      ARG   6 -18.730  12.158  -4.972
   33   1HH2  ARG   6          1HH2      ARG   6 -17.078   9.735  -3.100
   34   2HH2  ARG   6          2HH2      ARG   6 -18.613  10.291  -3.675
   35    H    CYS   7           H        CYS   7 -10.170  11.760  -0.091
   36    HA   CYS   7           HA       CYS   7  -8.223  10.169  -1.448
   37   1HB   CYS   7          2HB       CYS   7  -9.410   9.677   1.299
   38   2HB   CYS   7          1HB       CYS   7  -7.855   9.108   0.706
   39    H    GLN   8           H        GLN   8  -8.720   8.556  -2.828
   40    HA   GLN   8           HA       GLN   8 -11.205   7.176  -2.948
   41   1HB   GLN   8          2HB       GLN   8  -9.353   7.333  -4.735
   42   2HB   GLN   8          1HB       GLN   8  -8.584   5.995  -3.881
   43   1HG   GLN   8          2HG       GLN   8  -9.868   4.777  -5.356
   44   2HG   GLN   8          1HG       GLN   8 -11.051   4.966  -4.062
   45   1HE2  GLN   8          2HE2      GLN   8 -11.882   6.515  -7.659
   46   2HE2  GLN   8          1HE2      GLN   8 -10.628   5.404  -7.389
   47    H    CYS   9           H        CYS   9  -8.330   6.580  -1.008
   48    HA   CYS   9           HA       CYS   9  -9.722   4.206   0.160
   49   1HB   CYS   9          2HB       CYS   9  -6.911   4.539  -0.773
   50   2HB   CYS   9          1HB       CYS   9  -7.167   3.612   0.697
   51    H    ILE  10           H        ILE  10 -10.555   5.309   1.951
   52    HA   ILE  10           HA       ILE  10  -9.030   7.193   3.531
   53    HB   ILE  10           HB       ILE  10 -11.484   5.551   4.262
   54   1HG1  ILE  10          2HG1      ILE  10 -11.774   8.437   3.805
   55   2HG1  ILE  10          1HG1      ILE  10 -11.227   7.571   2.370
   56   1HG2  ILE  10          2HG2      ILE  10 -10.060   7.843   5.624
   57   2HG2  ILE  10          1HG2      ILE  10 -11.769   7.520   5.911
   58   3HG2  ILE  10          3HG2      ILE  10 -10.561   6.300   6.315
   59   1HD1  ILE  10          3HD1      ILE  10 -13.122   5.869   3.007
   60   2HD1  ILE  10          2HD1      ILE  10 -13.771   7.225   3.932
   61   3HD1  ILE  10          1HD1      ILE  10 -13.548   7.371   2.189
   62    H    LYS  11           H        LYS  11  -9.419   3.702   3.548
   63    HA   LYS  11           HA       LYS  11  -7.600   3.525   5.918
   64   1HB   LYS  11          2HB       LYS  11 -10.027   2.493   5.926
   65   2HB   LYS  11          1HB       LYS  11  -9.284   1.229   4.946
   66   1HG   LYS  11          2HG       LYS  11  -7.982   0.458   6.675
   67   2HG   LYS  11          1HG       LYS  11  -7.825   2.054   7.407
   68   1HD   LYS  11          2HD       LYS  11  -9.232   0.940   8.919
   69   2HD   LYS  11          1HD       LYS  11 -10.377   1.814   7.901
   70   1HE   LYS  11          2HE       LYS  11 -10.324  -0.372   6.443
   71   2HE   LYS  11          1HE       LYS  11  -9.719  -1.119   7.921
   72   1HZ   LYS  11          2HZ       LYS  11 -12.222   0.468   7.715
   73   2HZ   LYS  11          1HZ       LYS  11 -12.143  -1.229   7.739
   74   3HZ   LYS  11          3HZ       LYS  11 -11.654  -0.340   9.098
   75    H    THR  12           H        THR  12  -5.798   2.083   5.722
   76    HA   THR  12           HA       THR  12  -5.311   1.104   2.938
   77    HB   THR  12           HB       THR  12  -2.791   1.432   3.944
   78    HG1  THR  12           HG1      THR  12  -3.101   2.660   5.642
   79   1HG2  THR  12          3HG2      THR  12  -4.531   3.338   2.381
   80   2HG2  THR  12          2HG2      THR  12  -2.777   3.468   2.501
   81   3HG2  THR  12          1HG2      THR  12  -3.506   2.056   1.737
   82    OH   TYR  13           OH       TYR  13  -3.068  -8.511   4.468
   83    H    TYR  13           H        TYR  13  -3.089  -0.333   3.214
   84    HA   TYR  13           HA       TYR  13  -3.927  -2.541   5.024
   85   1HB   TYR  13          2HB       TYR  13  -3.749  -2.784   2.456
   86   2HB   TYR  13          1HB       TYR  13  -2.007  -2.747   2.706
   87    HD1  TYR  13           HD1      TYR  13  -4.506  -4.212   5.030
   88    HD2  TYR  13           HD2      TYR  13  -1.476  -4.956   2.085
   89    HE1  TYR  13           HE1      TYR  13  -4.558  -6.636   5.594
   90    HE2  TYR  13           HE2      TYR  13  -1.520  -7.381   2.645
   91    HH   TYR  13           HH       TYR  13  -2.236  -8.737   4.889
   92    H    SER  14           H        SER  14  -2.697  -2.812   6.804
   93    HA   SER  14           HA       SER  14   0.046  -1.663   6.886
   94   1HB   SER  14          2HB       SER  14  -0.150  -2.196   9.357
   95   2HB   SER  14          1HB       SER  14  -1.323  -1.024   8.764
   96    HG   SER  14           HG       SER  14  -1.687  -3.552   9.763
   97    H    LYS  15           H        LYS  15  -1.665  -4.758   7.161
   98    HA   LYS  15           HA       LYS  15   0.672  -6.266   7.928
   99   1HB   LYS  15          2HB       LYS  15  -1.416  -7.639   6.340
  100   2HB   LYS  15          1HB       LYS  15  -0.644  -8.135   7.827
  101   1HG   LYS  15          2HG       LYS  15  -1.983  -6.100   8.853
  102   2HG   LYS  15          1HG       LYS  15  -3.018  -6.352   7.448
  103   1HD   LYS  15          2HD       LYS  15  -2.614  -8.927   8.392
  104   2HD   LYS  15          1HD       LYS  15  -2.740  -7.974   9.872
  105   1HE   LYS  15          2HE       LYS  15  -4.855  -6.992   9.069
  106   2HE   LYS  15          1HE       LYS  15  -4.730  -7.928   7.580
  107   1HZ   LYS  15          1HZ       LYS  15  -4.883  -9.087  10.311
  108   2HZ   LYS  15          3HZ       LYS  15  -6.181  -8.979   9.225
  109   3HZ   LYS  15          2HZ       LYS  15  -4.842  -9.954   8.850
  110    HA   PRO  16           HA       PRO  16   2.569  -6.305   3.954
  111   1HB   PRO  16          2HB       PRO  16   4.567  -8.049   4.601
  112   2HB   PRO  16          1HB       PRO  16   4.536  -6.373   5.127
  113   1HG   PRO  16          2HG       PRO  16   4.059  -8.828   6.722
  114   2HG   PRO  16          1HG       PRO  16   4.548  -7.215   7.269
  115   1HD   PRO  16          2HD       PRO  16   1.912  -8.355   7.373
  116   2HD   PRO  16          1HD       PRO  16   2.380  -6.702   7.811
  117    H    PHE  17           H        PHE  17   3.046  -7.795   2.183
  118    HA   PHE  17           HA       PHE  17   2.344 -10.609   2.386
  119   1HB   PHE  17          2HB       PHE  17   0.362 -10.646   1.040
  120   2HB   PHE  17          1HB       PHE  17   0.085  -9.460   2.309
  121    HD1  PHE  17           HD1      PHE  17   0.732  -6.958   1.689
  122    HD2  PHE  17           HD2      PHE  17  -0.047 -10.067  -1.172
  123    HE1  PHE  17           HE1      PHE  17   0.248  -5.247  -0.042
  124    HE2  PHE  17           HE2      PHE  17  -0.528  -8.357  -2.899
  125    HZ   PHE  17           HZ       PHE  17  -0.381  -5.950  -2.334
  126    H    HIS  18           H        HIS  18   2.657 -11.743   0.298
  127    HA   HIS  18           HA       HIS  18   4.959 -10.754  -1.103
  128   1HB   HIS  18          2HB       HIS  18   4.783 -13.081  -0.854
  129   2HB   HIS  18          1HB       HIS  18   3.128 -13.101  -1.448
  130    HD1  HIS  18           HD1      HIS  18   6.687 -13.044  -2.619
  131    HD2  HIS  18           HD2      HIS  18   2.870 -12.844  -4.206
  132    HE1  HIS  18           HE1      HIS  18   6.928 -13.368  -5.128
  133    HA   PRO  19           HA       PRO  19   3.095  -8.160  -4.099
  134   1HB   PRO  19          2HB       PRO  19   5.242  -7.938  -5.781
  135   2HB   PRO  19          1HB       PRO  19   5.107  -7.110  -4.224
  136   1HG   PRO  19          2HG       PRO  19   6.746  -9.492  -4.952
  137   2HG   PRO  19          1HG       PRO  19   7.041  -8.264  -3.709
  138   1HD   PRO  19          2HD       PRO  19   6.031 -10.854  -3.253
  139   2HD   PRO  19          1HD       PRO  19   5.984  -9.509  -2.100
  140    H    LYS  20           H        LYS  20   4.869 -10.918  -5.611
  141    HA   LYS  20           HA       LYS  20   3.852 -10.648  -8.192
  142   1HB   LYS  20          2HB       LYS  20   5.475 -12.447  -7.158
  143   2HB   LYS  20          1HB       LYS  20   4.003 -13.404  -7.167
  144   1HG   LYS  20          2HG       LYS  20   4.436 -13.845  -9.336
  145   2HG   LYS  20          1HG       LYS  20   3.983 -12.171  -9.656
  146   1HD   LYS  20          2HD       LYS  20   6.222 -11.432  -9.637
  147   2HD   LYS  20          1HD       LYS  20   6.783 -12.870  -8.783
  148   1HE   LYS  20          2HE       LYS  20   6.240 -14.245 -10.779
  149   2HE   LYS  20          1HE       LYS  20   5.747 -12.783 -11.633
  150   1HZ   LYS  20          3HZ       LYS  20   8.452 -13.268 -10.501
  151   2HZ   LYS  20          2HZ       LYS  20   8.035 -13.431 -12.140
  152   3HZ   LYS  20          1HZ       LYS  20   7.967 -11.908 -11.393
  153    H    PHE  21           H        PHE  21   2.053 -11.695  -5.372
  154    HA   PHE  21           HA       PHE  21  -0.114 -13.018  -6.676
  155   1HB   PHE  21          2HB       PHE  21  -0.217 -11.295  -4.223
  156   2HB   PHE  21          1HB       PHE  21  -1.419 -12.467  -4.695
  157    HD1  PHE  21           HD2      PHE  21   0.841 -14.493  -5.697
  158    HD2  PHE  21           HD1      PHE  21   0.096 -12.357  -2.043
  159    HE1  PHE  21           HE2      PHE  21   2.061 -16.235  -4.421
  160    HE2  PHE  21           HE1      PHE  21   1.312 -14.100  -0.772
  161    HZ   PHE  21           HZ       PHE  21   2.293 -16.043  -1.962
  162    H    ILE  22           H        ILE  22   0.587  -9.640  -5.980
  163    HA   ILE  22           HA       ILE  22  -1.872  -8.460  -6.785
  164    HB   ILE  22           HB       ILE  22   0.943  -7.339  -6.981
  165   1HG1  ILE  22          2HG1      ILE  22  -0.992  -6.686  -4.786
  166   2HG1  ILE  22          1HG1      ILE  22  -0.123  -8.217  -4.707
  167   1HG2  ILE  22          1HG2      ILE  22  -1.797  -6.081  -7.095
  168   2HG2  ILE  22          3HG2      ILE  22  -0.358  -5.151  -6.682
  169   3HG2  ILE  22          2HG2      ILE  22  -0.484  -5.929  -8.259
  170   1HD1  ILE  22          1HD1      ILE  22   1.918  -6.543  -5.349
  171   2HD1  ILE  22          3HD1      ILE  22   0.899  -5.452  -4.411
  172   3HD1  ILE  22          2HD1      ILE  22   1.482  -6.951  -3.691
  173    H    LYS  23           H        LYS  23  -2.766  -8.201  -8.748
  174    HA   LYS  23           HA       LYS  23  -1.141  -8.850 -11.160
  175   1HB   LYS  23          2HB       LYS  23  -3.481  -9.920 -10.529
  176   2HB   LYS  23          1HB       LYS  23  -4.111  -8.433 -11.242
  177   1HG   LYS  23          2HG       LYS  23  -3.078  -8.886 -13.345
  178   2HG   LYS  23          1HG       LYS  23  -2.079 -10.168 -12.661
  179   1HD   LYS  23          2HD       LYS  23  -4.165 -11.462 -12.166
  180   2HD   LYS  23          1HD       LYS  23  -5.092 -10.216 -13.001
  181   1HE   LYS  23          2HE       LYS  23  -3.954 -10.662 -15.083
  182   2HE   LYS  23          1HE       LYS  23  -2.808 -11.739 -14.284
  183   1HZ   LYS  23          3HZ       LYS  23  -5.739 -12.190 -14.463
  184   2HZ   LYS  23          2HZ       LYS  23  -4.571 -12.952 -15.432
  185   3HZ   LYS  23          1HZ       LYS  23  -4.608 -13.238 -13.757
  186    H    GLU  24           H        GLU  24  -2.535  -6.190  -9.457
  187    HA   GLU  24           HA       GLU  24  -1.754  -4.381 -11.651
  188   1HB   GLU  24          2HB       GLU  24  -4.362  -5.124 -11.562
  189   2HB   GLU  24          1HB       GLU  24  -4.397  -3.751 -10.454
  190   1HG   GLU  24          2HG       GLU  24  -2.882  -2.703 -12.432
  191   2HG   GLU  24          1HG       GLU  24  -3.878  -3.815 -13.372
  192    HA   LEU  25           HA       LEU  25  -1.071  -2.344  -7.659
  193   1HB   LEU  25          2HB       LEU  25   0.833  -3.724  -7.239
  194   2HB   LEU  25          1HB       LEU  25   1.680  -3.126  -8.665
  195    HG   LEU  25           HG       LEU  25   0.950  -0.954  -6.851
  196   1HD1  LEU  25          2HD1      LEU  25   2.107  -3.390  -5.706
  197   2HD1  LEU  25          1HD1      LEU  25   3.075  -1.946  -5.409
  198   3HD1  LEU  25          3HD1      LEU  25   1.389  -1.995  -4.902
  199   1HD2  LEU  25          1HD2      LEU  25   2.983  -1.641  -8.709
  200   2HD2  LEU  25          3HD2      LEU  25   2.792  -0.116  -7.842
  201   3HD2  LEU  25          2HD2      LEU  25   3.785  -1.403  -7.157
  202    NH1  ARG  26           NH1      ARG  26  -7.654   2.179 -10.902
  203    NH2  ARG  26           NH2      ARG  26  -7.194   3.468  -9.094
  204    H    ARG  26           H        ARG  26  -1.926  -0.365  -8.339
  205    HA   ARG  26           HA       ARG  26   0.003   1.358  -9.800
  206   1HB   ARG  26          2HB       ARG  26  -2.086   2.664 -10.538
  207   2HB   ARG  26          1HB       ARG  26  -1.850   1.079 -11.272
  208   1HG   ARG  26          2HG       ARG  26  -3.677   0.184 -10.239
  209   2HG   ARG  26          1HG       ARG  26  -3.396   1.074  -8.745
  210   1HD   ARG  26          2HD       ARG  26  -4.232   3.141  -9.845
  211   2HD   ARG  26          1HD       ARG  26  -4.578   2.202 -11.299
  212    HE   ARG  26           HE       ARG  26  -5.878   0.952  -9.087
  213   1HH1  ARG  26          2HH1      ARG  26  -7.420   1.413 -11.502
  214   2HH1  ARG  26          1HH1      ARG  26  -8.475   2.722 -11.084
  215   1HH2  ARG  26          1HH2      ARG  26  -6.609   3.688  -8.313
  216   2HH2  ARG  26          2HH2      ARG  26  -8.014   4.014  -9.271
  217    H    VAL  27           H        VAL  27   0.923   2.655  -8.315
  218    HA   VAL  27           HA       VAL  27  -0.478   3.478  -5.896
  219    HB   VAL  27           HB       VAL  27   1.613   4.542  -5.301
  220   1HG1  VAL  27          3HG1      VAL  27   1.411   1.968  -5.411
  221   2HG1  VAL  27          2HG1      VAL  27   2.447   2.086  -6.832
  222   3HG1  VAL  27          1HG1      VAL  27   3.028   2.654  -5.266
  223   1HG2  VAL  27          2HG2      VAL  27   2.214   4.247  -8.240
  224   2HG2  VAL  27          1HG2      VAL  27   2.319   5.693  -7.238
  225   3HG2  VAL  27          3HG2      VAL  27   3.516   4.409  -7.061
  226    H    ILE  28           H        ILE  28  -1.516   5.422  -5.570
  227    HA   ILE  28           HA       ILE  28  -1.642   7.284  -7.888
  228    HB   ILE  28           HB       ILE  28  -3.338   7.115  -5.370
  229   1HG1  ILE  28          2HG1      ILE  28  -3.995   6.498  -8.273
  230   2HG1  ILE  28          1HG1      ILE  28  -3.660   5.280  -7.044
  231   1HG2  ILE  28          2HG2      ILE  28  -3.528   8.926  -7.801
  232   2HG2  ILE  28          1HG2      ILE  28  -4.787   8.772  -6.575
  233   3HG2  ILE  28          3HG2      ILE  28  -3.209   9.429  -6.143
  234   1HD1  ILE  28          1HD1      ILE  28  -5.559   6.251  -5.687
  235   2HD1  ILE  28          3HD1      ILE  28  -5.956   7.256  -7.081
  236   3HD1  ILE  28          2HD1      ILE  28  -6.057   5.500  -7.204
  237    H    GLU  29           H        GLU  29  -0.805   9.353  -7.765
  238    HA   GLU  29           HA       GLU  29   1.150   9.954  -5.760
  239   1HB   GLU  29          2HB       GLU  29   1.127  12.247  -6.827
  240   2HB   GLU  29          1HB       GLU  29   1.426  10.919  -7.934
  241   1HG   GLU  29          2HG       GLU  29  -0.538  11.243  -9.052
  242   2HG   GLU  29          1HG       GLU  29  -1.425  11.623  -7.575
  243    H    SER  30           H        SER  30   1.043  12.218  -4.631
  244    HA   SER  30           HA       SER  30  -1.533  12.315  -3.129
  245   1HB   SER  30          2HB       SER  30   0.084  13.745  -1.564
  246   2HB   SER  30          1HB       SER  30   0.056  11.989  -1.486
  247    HG   SER  30           HG       SER  30   2.125  12.262  -1.862
  248    H    GLY  31           H        GLY  31  -2.184  14.525  -2.371
  249   1HA   GLY  31          2HA       GLY  31  -1.185  16.907  -3.641
  250   2HA   GLY  31          1HA       GLY  31  -2.616  16.326  -4.483
  251    HA   PRO  32           HA       PRO  32  -4.293  18.857  -1.048
  252   1HB   PRO  32          2HB       PRO  32  -6.389  19.833  -2.554
  253   2HB   PRO  32          1HB       PRO  32  -4.793  20.602  -2.482
  254   1HG   PRO  32          2HG       PRO  32  -5.986  18.942  -4.665
  255   2HG   PRO  32          1HG       PRO  32  -4.795  20.251  -4.772
  256   1HD   PRO  32          2HD       PRO  32  -4.193  17.514  -4.924
  257   2HD   PRO  32          1HD       PRO  32  -3.021  18.802  -4.568
  258    H    HIS  33           H        HIS  33  -5.824  16.739  -3.403
  259    HA   HIS  33           HA       HIS  33  -8.235  16.099  -2.037
  260   1HB   HIS  33          2HB       HIS  33  -8.214  14.038  -3.454
  261   2HB   HIS  33          1HB       HIS  33  -7.879  15.490  -4.392
  262    HD1  HIS  33           HD1      HIS  33  -5.308  15.900  -5.053
  263    HD2  HIS  33           HD2      HIS  33  -6.147  12.165  -3.418
  264    HE1  HIS  33           HE1      HIS  33  -3.241  14.491  -5.418
  265    H    CYS  34           H        CYS  34  -4.952  14.828  -1.743
  266    HA   CYS  34           HA       CYS  34  -5.499  13.732   0.866
  267   1HB   CYS  34          2HB       CYS  34  -6.127  12.022  -1.177
  268   2HB   CYS  34          1HB       CYS  34  -4.440  11.602  -0.884
  269    H    ALA  35           H        ALA  35  -3.691  14.496   1.862
  270    HA   ALA  35           HA       ALA  35  -1.241  15.089   0.486
  271   1HB   ALA  35          2HB       ALA  35  -2.117  16.105   2.674
  272   2HB   ALA  35          1HB       ALA  35  -1.479  14.665   3.465
  273   3HB   ALA  35          3HB       ALA  35  -0.391  15.751   2.600
  274    H    ASN  36           H        ASN  36  -2.332  12.231   2.256
  275    HA   ASN  36           HA       ASN  36   0.351  11.038   2.279
  276   1HB   ASN  36          2HB       ASN  36  -2.367  10.248   3.244
  277   2HB   ASN  36          1HB       ASN  36  -1.191   8.968   2.950
  278   1HD2  ASN  36          2HD2      ASN  36   0.755   9.753   5.801
  279   2HD2  ASN  36          1HD2      ASN  36   0.567   8.751   4.444
  280    H    THR  37           H        THR  37   1.137   9.549   0.827
  281    HA   THR  37           HA       THR  37  -0.332   9.192  -1.696
  282    HB   THR  37           HB       THR  37   2.259   7.794  -1.060
  283    HG1  THR  37           HG1      THR  37   3.116   9.651  -0.632
  284   1HG2  THR  37          2HG2      THR  37   1.078   9.126  -3.511
  285   2HG2  THR  37          1HG2      THR  37   2.687   8.407  -3.449
  286   3HG2  THR  37          3HG2      THR  37   1.259   7.393  -3.237
  287    H    GLU  38           H        GLU  38  -0.982   7.108  -2.533
  288    HA   GLU  38           HA       GLU  38  -1.064   4.914  -0.495
  289   1HB   GLU  38          2HB       GLU  38  -3.256   6.427  -1.355
  290   2HB   GLU  38          1HB       GLU  38  -3.371   4.928  -2.274
  291   1HG   GLU  38          2HG       GLU  38  -4.478   4.294  -0.341
  292   2HG   GLU  38          1HG       GLU  38  -2.831   3.837   0.088
  293    H    ILE  39           H        ILE  39  -0.871   2.809  -1.308
  294    HA   ILE  39           HA       ILE  39  -0.151   2.618  -4.223
  295    HB   ILE  39           HB       ILE  39   0.712   1.040  -1.786
  296   1HG1  ILE  39          2HG1      ILE  39   2.903   1.642  -3.383
  297   2HG1  ILE  39          1HG1      ILE  39   1.879   3.069  -3.539
  298   1HG2  ILE  39          3HG2      ILE  39   0.977   0.313  -4.710
  299   2HG2  ILE  39          2HG2      ILE  39   2.016  -0.367  -3.459
  300   3HG2  ILE  39          1HG2      ILE  39   0.280  -0.660  -3.416
  301   1HD1  ILE  39          2HD1      ILE  39   2.657   1.813  -0.892
  302   2HD1  ILE  39          1HD1      ILE  39   3.471   3.203  -1.607
  303   3HD1  ILE  39          3HD1      ILE  39   1.780   3.324  -1.123
  304    H    ILE  40           H        ILE  40  -2.116   2.035  -5.229
  305    HA   ILE  40           HA       ILE  40  -3.872   0.112  -3.832
  306    HB   ILE  40           HB       ILE  40  -4.302   1.449  -6.519
  307   1HG1  ILE  40          2HG1      ILE  40  -5.472   2.216  -3.825
  308   2HG1  ILE  40          1HG1      ILE  40  -4.044   2.999  -4.499
  309   1HG2  ILE  40          3HG2      ILE  40  -5.636  -0.610  -6.102
  310   2HG2  ILE  40          2HG2      ILE  40  -6.211   0.087  -4.587
  311   3HG2  ILE  40          1HG2      ILE  40  -6.654   0.831  -6.123
  312   1HD1  ILE  40          1HD1      ILE  40  -5.368   3.575  -6.538
  313   2HD1  ILE  40          3HD1      ILE  40  -6.798   2.890  -5.764
  314   3HD1  ILE  40          2HD1      ILE  40  -6.016   4.311  -5.073
  315    H    VAL  41           H        VAL  41  -3.525  -1.987  -4.073
  316    HA   VAL  41           HA       VAL  41  -2.375  -3.006  -6.613
  317    HB   VAL  41           HB       VAL  41  -1.630  -4.915  -5.307
  318   1HG1  VAL  41          3HG1      VAL  41  -0.372  -2.671  -5.290
  319   2HG1  VAL  41          2HG1      VAL  41  -0.974  -2.497  -3.642
  320   3HG1  VAL  41          1HG1      VAL  41   0.072  -3.852  -4.060
  321   1HG2  VAL  41          1HG2      VAL  41  -3.620  -4.909  -3.749
  322   2HG2  VAL  41          3HG2      VAL  41  -2.070  -5.157  -2.947
  323   3HG2  VAL  41          2HG2      VAL  41  -2.850  -3.578  -2.886
  324    H    LYS  42           H        LYS  42  -3.274  -5.079  -7.373
  325    HA   LYS  42           HA       LYS  42  -6.088  -5.540  -6.489
  326   1HB   LYS  42          2HB       LYS  42  -5.333  -4.479  -8.945
  327   2HB   LYS  42          1HB       LYS  42  -5.562  -6.191  -9.300
  328   1HG   LYS  42          2HG       LYS  42  -7.793  -6.084  -8.187
  329   2HG   LYS  42          1HG       LYS  42  -7.566  -4.348  -7.969
  330   1HD   LYS  42          2HD       LYS  42  -7.296  -4.116 -10.444
  331   2HD   LYS  42          1HD       LYS  42  -7.667  -5.833 -10.611
  332   1HE   LYS  42          2HE       LYS  42  -9.794  -4.989 -10.880
  333   2HE   LYS  42          1HE       LYS  42  -9.780  -5.124  -9.122
  334   1HZ   LYS  42          2HZ       LYS  42  -9.058  -2.810  -9.000
  335   2HZ   LYS  42          1HZ       LYS  42  -9.123  -2.688 -10.694
  336   3HZ   LYS  42          3HZ       LYS  42 -10.546  -2.951  -9.807
  337    H    LEU  43           H        LEU  43  -5.468  -7.342  -5.230
  338    HA   LEU  43           HA       LEU  43  -3.706  -9.410  -5.820
  339   1HB   LEU  43          2HB       LEU  43  -6.322  -9.375  -4.341
  340   2HB   LEU  43          1HB       LEU  43  -5.371 -10.840  -4.463
  341    HG   LEU  43           HG       LEU  43  -4.228  -8.220  -3.466
  342   1HD1  LEU  43          2HD1      LEU  43  -5.371 -10.542  -1.882
  343   2HD1  LEU  43          1HD1      LEU  43  -4.449  -9.208  -1.190
  344   3HD1  LEU  43          3HD1      LEU  43  -6.014  -8.901  -1.942
  345   1HD2  LEU  43          1HD2      LEU  43  -2.960 -10.500  -4.330
  346   2HD2  LEU  43          3HD2      LEU  43  -2.282  -9.365  -3.164
  347   3HD2  LEU  43          2HD2      LEU  43  -3.112 -10.815  -2.602
  348    H    SER  44           H        SER  44  -3.806 -11.333  -6.926
  349    HA   SER  44           HA       SER  44  -5.297 -11.509  -9.321
  350   1HB   SER  44          2HB       SER  44  -3.106 -12.729  -8.577
  351   2HB   SER  44          1HB       SER  44  -4.208 -13.960  -7.971
  352    HG   SER  44           HG       SER  44  -4.270 -14.612  -9.964
  353    H    ASP  45           H        ASP  45  -6.196 -12.439  -6.086
  354    HA   ASP  45           HA       ASP  45  -8.194 -14.373  -6.881
  355   1HB   ASP  45          2HB       ASP  45  -7.472 -12.994  -4.310
  356   2HB   ASP  45          1HB       ASP  45  -8.967 -13.920  -4.429
  357    H    GLY  46           H        GLY  46  -8.183 -11.243  -7.659
  358   1HA   GLY  46          2HA       GLY  46  -9.961  -9.893  -8.420
  359   2HA   GLY  46          1HA       GLY  46 -11.096 -11.052  -7.727
  360    NH1  ARG  47           NH1      ARG  47 -11.465  -5.883  -0.556
  361    NH2  ARG  47           NH2      ARG  47 -13.149  -7.294   0.004
  362    H    ARG  47           H        ARG  47  -8.421  -9.604  -5.914
  363    HA   ARG  47           HA       ARG  47 -10.474  -8.201  -4.232
  364   1HB   ARG  47          2HB       ARG  47  -9.144 -10.149  -3.222
  365   2HB   ARG  47          1HB       ARG  47  -7.731  -9.104  -3.329
  366   1HG   ARG  47          2HG       ARG  47  -8.605  -8.818  -1.119
  367   2HG   ARG  47          1HG       ARG  47  -9.061  -7.372  -2.016
  368   1HD   ARG  47          2HD       ARG  47 -11.298  -8.296  -2.417
  369   2HD   ARG  47          1HD       ARG  47 -10.847  -9.783  -1.584
  370    HE   ARG  47           HE       ARG  47 -10.678  -8.448   0.507
  371   1HH1  ARG  47          2HH1      ARG  47 -10.502  -5.730  -0.782
  372   2HH1  ARG  47          1HH1      ARG  47 -12.101  -5.112  -0.531
  373   1HH2  ARG  47          1HH2      ARG  47 -13.473  -8.220   0.204
  374   2HH2  ARG  47          2HH2      ARG  47 -13.788  -6.525   0.030
  375    H    GLU  48           H        GLU  48  -9.828  -6.121  -3.343
  376    HA   GLU  48           HA       GLU  48  -7.522  -4.832  -4.745
  377   1HB   GLU  48          2HB       GLU  48  -9.861  -4.189  -5.643
  378   2HB   GLU  48          1HB       GLU  48 -10.088  -3.365  -4.098
  379   1HG   GLU  48          2HG       GLU  48  -8.074  -2.014  -4.498
  380   2HG   GLU  48          1HG       GLU  48  -7.791  -2.861  -6.018
  381    H    LEU  49           H        LEU  49  -6.072  -4.280  -3.182
  382    HA   LEU  49           HA       LEU  49  -7.173  -3.393  -0.528
  383   1HB   LEU  49          2HB       LEU  49  -5.213  -5.452  -1.200
  384   2HB   LEU  49          1HB       LEU  49  -4.550  -4.249  -0.094
  385    HG   LEU  49           HG       LEU  49  -6.761  -4.563   1.235
  386   1HD1  LEU  49          3HD1      LEU  49  -6.751  -6.941  -0.627
  387   2HD1  LEU  49          2HD1      LEU  49  -7.531  -7.012   0.953
  388   3HD1  LEU  49          1HD1      LEU  49  -8.084  -5.849  -0.251
  389   1HD2  LEU  49          3HD2      LEU  49  -4.318  -5.466   1.661
  390   2HD2  LEU  49          2HD2      LEU  49  -5.661  -6.095   2.614
  391   3HD2  LEU  49          1HD2      LEU  49  -5.034  -7.025   1.253
  392    H    CYS  50           H        CYS  50  -6.599  -1.326   0.010
  393    HA   CYS  50           HA       CYS  50  -4.706   0.163  -1.629
  394   1HB   CYS  50          2HB       CYS  50  -5.453   1.260   0.999
  395   2HB   CYS  50          1HB       CYS  50  -5.443   2.033  -0.572
  396    H    LEU  51           H        LEU  51  -2.629   1.045  -0.730
  397    HA   LEU  51           HA       LEU  51  -1.598  -0.733   1.431
  398   1HB   LEU  51          2HB       LEU  51  -0.414   0.110  -1.134
  399   2HB   LEU  51          1HB       LEU  51   0.662  -0.077   0.218
  400    HG   LEU  51           HG       LEU  51   0.492  -2.165  -1.081
  401   1HD1  LEU  51          2HD1      LEU  51  -0.148  -1.863   1.743
  402   2HD1  LEU  51          1HD1      LEU  51  -0.772  -3.374   1.079
  403   3HD1  LEU  51          3HD1      LEU  51   0.943  -2.997   0.949
  404   1HD2  LEU  51          2HD2      LEU  51  -2.076  -1.558  -1.554
  405   2HD2  LEU  51          1HD2      LEU  51  -1.492  -3.220  -1.589
  406   3HD2  LEU  51          3HD2      LEU  51  -2.308  -2.604  -0.154
  407    H    ASP  52           H        ASP  52  -0.015   0.100   2.740
  408    HA   ASP  52           HA       ASP  52  -0.134   3.058   3.111
  409   1HB   ASP  52          2HB       ASP  52  -1.093   1.405   4.872
  410   2HB   ASP  52          1HB       ASP  52   0.590   1.056   5.251
  411    HA   PRO  53           HA       PRO  53   4.210   2.632   2.033
  412   1HB   PRO  53          2HB       PRO  53   4.625   5.350   1.815
  413   2HB   PRO  53          1HB       PRO  53   3.960   4.339   0.520
  414   1HG   PRO  53          2HG       PRO  53   2.539   6.230   2.351
  415   2HG   PRO  53          1HG       PRO  53   2.147   5.774   0.684
  416   1HD   PRO  53          2HD       PRO  53   0.848   4.783   2.954
  417   2HD   PRO  53          1HD       PRO  53   0.836   4.004   1.357
  418    H    LYS  54           H        LYS  54   2.719   3.864   4.830
  419    HA   LYS  54           HA       LYS  54   4.866   5.126   6.174
  420   1HB   LYS  54          2HB       LYS  54   2.309   3.839   6.959
  421   2HB   LYS  54          1HB       LYS  54   3.523   3.997   8.225
  422   1HG   LYS  54          2HG       LYS  54   2.946   6.367   6.479
  423   2HG   LYS  54          1HG       LYS  54   1.803   5.960   7.758
  424   1HD   LYS  54          2HD       LYS  54   3.386   6.298   9.460
  425   2HD   LYS  54          1HD       LYS  54   4.751   6.124   8.356
  426   1HE   LYS  54          2HE       LYS  54   2.817   8.365   7.889
  427   2HE   LYS  54          1HE       LYS  54   3.988   8.524   9.197
  428   1HZ   LYS  54          2HZ       LYS  54   5.759   8.053   7.613
  429   2HZ   LYS  54          1HZ       LYS  54   4.623   7.936   6.355
  430   3HZ   LYS  54          3HZ       LYS  54   4.865   9.418   7.143
  431    H    GLU  55           H        GLU  55   4.141   1.707   5.597
  432    HA   GLU  55           HA       GLU  55   6.152   0.805   7.546
  433   1HB   GLU  55          2HB       GLU  55   4.337  -0.552   5.574
  434   2HB   GLU  55          1HB       GLU  55   5.691  -1.428   6.246
  435   1HG   GLU  55          2HG       GLU  55   4.403  -0.082   8.391
  436   2HG   GLU  55          1HG       GLU  55   3.161  -0.919   7.469
  437    H    ASN  56           H        ASN  56   7.839  -0.776   6.633
  438    HA   ASN  56           HA       ASN  56   9.243   0.581   4.400
  439   1HB   ASN  56          2HB       ASN  56  10.067  -0.690   6.818
  440   2HB   ASN  56          1HB       ASN  56  10.819  -1.503   5.450
  441   1HD2  ASN  56          2HD2      ASN  56  12.047   2.222   6.473
  442   2HD2  ASN  56          1HD2      ASN  56  10.855   1.408   7.366
  443    CH2  TRP  57           CH2      TRP  57   1.802  -4.479   2.445
  444    H    TRP  57           H        TRP  57   7.401  -2.235   5.050
  445    HA   TRP  57           HA       TRP  57   8.613  -3.855   2.987
  446   1HB   TRP  57          2HB       TRP  57   6.994  -5.499   3.573
  447   2HB   TRP  57          1HB       TRP  57   7.499  -4.754   5.061
  448    HD1  TRP  57           HD1      TRP  57   5.728  -3.539   6.444
  449    HE1  TRP  57           HE1      TRP  57   3.177  -3.315   6.256
  450    HE3  TRP  57           HE3      TRP  57   5.046  -5.181   1.683
  451    HZ2  TRP  57           HZ2      TRP  57   1.114  -3.717   4.336
  452    HZ3  TRP  57           HZ3      TRP  57   2.787  -5.222   0.686
  453    HH2  TRP  57           HH2      TRP  57   0.818  -4.509   2.004
  454    H    VAL  58           H        VAL  58   5.794  -1.752   3.299
  455    HA   VAL  58           HA       VAL  58   4.597  -2.453   0.769
  456    HB   VAL  58           HB       VAL  58   4.394  -0.151   2.672
  457   1HG1  VAL  58          3HG1      VAL  58   3.388  -0.165  -0.177
  458   2HG1  VAL  58          2HG1      VAL  58   2.635   0.820   1.077
  459   3HG1  VAL  58          1HG1      VAL  58   4.322   1.089   0.641
  460   1HG2  VAL  58          3HG2      VAL  58   2.705  -2.380   1.673
  461   2HG2  VAL  58          2HG2      VAL  58   2.888  -1.751   3.311
  462   3HG2  VAL  58          1HG2      VAL  58   1.882  -0.894   2.144
  463    H    GLN  59           H        GLN  59   6.951   0.054   1.730
  464    HA   GLN  59           HA       GLN  59   7.187   1.135  -0.930
  465   1HB   GLN  59          2HB       GLN  59   9.074   2.394  -0.036
  466   2HB   GLN  59          1HB       GLN  59   7.715   2.458   1.080
  467   1HG   GLN  59          2HG       GLN  59   8.704   0.592   2.353
  468   2HG   GLN  59          1HG       GLN  59  10.085   0.601   1.264
  469   1HE2  GLN  59          2HE2      GLN  59  11.599   3.437   2.774
  470   2HE2  GLN  59          1HE2      GLN  59  11.654   2.328   1.490
  471    NH1  ARG  60           NH1      ARG  60  14.921  -6.520  -0.774
  472    NH2  ARG  60           NH2      ARG  60  13.234  -7.344  -2.045
  473    H    ARG  60           H        ARG  60   8.775  -1.476   0.791
  474    HA   ARG  60           HA       ARG  60  10.923  -1.734  -1.195
  475   1HB   ARG  60          2HB       ARG  60  10.836  -2.516   1.357
  476   2HB   ARG  60          1HB       ARG  60  10.162  -3.978   0.642
  477   1HG   ARG  60          2HG       ARG  60  12.691  -2.738  -0.442
  478   2HG   ARG  60          1HG       ARG  60  12.737  -3.854   0.923
  479   1HD   ARG  60          2HD       ARG  60  11.043  -4.990  -1.083
  480   2HD   ARG  60          1HD       ARG  60  12.543  -4.482  -1.860
  481    HE   ARG  60           HE       ARG  60  12.590  -6.204   0.585
  482   1HH1  ARG  60          2HH1      ARG  60  15.234  -5.951  -0.014
  483   2HH1  ARG  60          1HH1      ARG  60  15.584  -7.033  -1.321
  484   1HH2  ARG  60          1HH2      ARG  60  12.258  -7.404  -2.256
  485   2HH2  ARG  60          2HH2      ARG  60  13.895  -7.857  -2.593
  486    H    VAL  61           H        VAL  61   7.863  -3.336  -0.364
  487    HA   VAL  61           HA       VAL  61   7.959  -5.380  -2.361
  488    HB   VAL  61           HB       VAL  61   5.708  -4.005  -0.879
  489   1HG1  VAL  61          3HG1      VAL  61   5.465  -6.267  -2.873
  490   2HG1  VAL  61          2HG1      VAL  61   4.172  -5.681  -1.829
  491   3HG1  VAL  61          1HG1      VAL  61   4.830  -4.637  -3.089
  492   1HG2  VAL  61          1HG2      VAL  61   7.155  -5.599   0.348
  493   2HG2  VAL  61          3HG2      VAL  61   5.510  -6.215   0.188
  494   3HG2  VAL  61          2HG2      VAL  61   6.792  -6.840  -0.850
  495    H    VAL  62           H        VAL  62   6.648  -2.061  -2.427
  496    HA   VAL  62           HA       VAL  62   5.640  -2.198  -5.118
  497    HB   VAL  62           HB       VAL  62   6.539   0.155  -3.423
  498   1HG1  VAL  62          3HG1      VAL  62   5.254   0.040  -6.159
  499   2HG1  VAL  62          2HG1      VAL  62   5.112   1.456  -5.116
  500   3HG1  VAL  62          1HG1      VAL  62   6.699   0.926  -5.672
  501   1HG2  VAL  62          3HG2      VAL  62   4.443  -1.396  -2.929
  502   2HG2  VAL  62          2HG2      VAL  62   4.315   0.356  -2.776
  503   3HG2  VAL  62          1HG2      VAL  62   3.714  -0.449  -4.225
  504    H    GLU  63           H        GLU  63   8.802  -1.287  -3.755
  505    HA   GLU  63           HA       GLU  63   9.960  -0.378  -6.194
  506   1HB   GLU  63          2HB       GLU  63  10.846  -0.900  -3.485
  507   2HB   GLU  63          1HB       GLU  63  12.032  -1.496  -4.645
  508   1HG   GLU  63          2HG       GLU  63  12.404   0.619  -5.559
  509   2HG   GLU  63          1HG       GLU  63  10.835   1.233  -5.036
  510    H    LYS  64           H        LYS  64  10.076  -3.579  -4.582
  511    HA   LYS  64           HA       LYS  64  11.630  -4.836  -6.621
  512   1HB   LYS  64          2HB       LYS  64  10.816  -5.589  -4.148
  513   2HB   LYS  64          1HB       LYS  64   9.680  -6.507  -5.134
  514   1HG   LYS  64          2HG       LYS  64  12.369  -6.650  -6.233
  515   2HG   LYS  64          1HG       LYS  64  12.335  -7.203  -4.558
  516   1HD   LYS  64          2HD       LYS  64  10.305  -8.616  -5.211
  517   2HD   LYS  64          1HD       LYS  64  10.712  -8.247  -6.887
  518   1HE   LYS  64          2HE       LYS  64  11.904 -10.215  -6.606
  519   2HE   LYS  64          1HE       LYS  64  13.128  -9.041  -6.124
  520   1HZ   LYS  64          1HZ       LYS  64  11.298 -10.485  -4.280
  521   2HZ   LYS  64          3HZ       LYS  64  12.939 -10.841  -4.519
  522   3HZ   LYS  64          2HZ       LYS  64  12.487  -9.361  -3.819
  523    H    PHE  65           H        PHE  65   8.204  -4.151  -6.327
  524    HA   PHE  65           HA       PHE  65   7.374  -5.980  -8.441
  525   1HB   PHE  65          2HB       PHE  65   6.019  -4.942  -6.428
  526   2HB   PHE  65          1HB       PHE  65   5.770  -3.608  -7.544
  527    HD1  PHE  65           HD1      PHE  65   5.685  -7.374  -7.599
  528    HD2  PHE  65           HD2      PHE  65   3.872  -3.692  -8.872
  529    HE1  PHE  65           HE1      PHE  65   3.889  -8.649  -8.742
  530    HE2  PHE  65           HE2      PHE  65   2.080  -4.968 -10.015
  531    HZ   PHE  65           HZ       PHE  65   2.088  -7.446  -9.950
  532    H    LEU  66           H        LEU  66   7.859  -2.444  -8.166
  533    HA   LEU  66           HA       LEU  66   7.190  -1.971 -10.963
  534   1HB   LEU  66          2HB       LEU  66   7.029  -0.333  -8.942
  535   2HB   LEU  66          1HB       LEU  66   8.743  -0.046  -9.242
  536    HG   LEU  66           HG       LEU  66   8.013   0.313 -11.719
  537   1HD1  LEU  66          3HD1      LEU  66   5.648  -0.543 -11.117
  538   2HD1  LEU  66          2HD1      LEU  66   5.399   1.045 -10.393
  539   3HD1  LEU  66          1HD1      LEU  66   5.755   0.907 -12.115
  540   1HD2  LEU  66          2HD2      LEU  66   7.308   2.272  -9.508
  541   2HD2  LEU  66          1HD2      LEU  66   8.868   2.118 -10.316
  542   3HD2  LEU  66          3HD2      LEU  66   7.466   2.704 -11.211
  543    H    LYS  67           H        LYS  67  10.284  -1.721  -9.139
  544    HA   LYS  67           HA       LYS  67  11.846  -1.418 -11.566
  545   1HB   LYS  67          2HB       LYS  67  12.522  -1.913  -8.671
  546   2HB   LYS  67          1HB       LYS  67  13.773  -1.998  -9.911
  547   1HG   LYS  67          2HG       LYS  67  11.923   0.380  -9.733
  548   2HG   LYS  67          1HG       LYS  67  13.384   0.287  -8.749
  549   1HD   LYS  67          2HD       LYS  67  14.722  -0.066 -10.822
  550   2HD   LYS  67          1HD       LYS  67  13.252   0.137 -11.775
  551   1HE   LYS  67          2HE       LYS  67  13.151   2.368 -10.207
  552   2HE   LYS  67          1HE       LYS  67  14.894   2.169 -10.386
  553   1HZ   LYS  67          2HZ       LYS  67  14.568   2.028 -12.795
  554   2HZ   LYS  67          1HZ       LYS  67  12.905   2.310 -12.587
  555   3HZ   LYS  67          3HZ       LYS  67  14.027   3.511 -12.168
  556    NH1  ARG  68           NH2      ARG  68   8.742  -2.515 -15.422
  557    NH2  ARG  68           NH1      ARG  68   7.040  -3.409 -14.219
  558    H    ARG  68           H        ARG  68  12.575  -2.999 -12.899
  559    HA   ARG  68           HA       ARG  68  13.188  -5.686 -11.913
  560   1HB   ARG  68          2HB       ARG  68  11.590  -6.831 -13.451
  561   2HB   ARG  68          1HB       ARG  68  10.771  -5.917 -12.189
  562   1HG   ARG  68          2HG       ARG  68  10.570  -4.000 -13.826
  563   2HG   ARG  68          1HG       ARG  68  11.180  -5.088 -15.074
  564   1HD   ARG  68          2HD       ARG  68   9.304  -6.614 -14.704
  565   2HD   ARG  68          1HD       ARG  68   8.710  -5.601 -13.388
  566    HE   ARG  68           HE       ARG  68   8.298  -5.114 -16.212
  567   1HH1  ARG  68          1HH2      ARG  68   9.544  -2.632 -16.008
  568   2HH1  ARG  68          2HH2      ARG  68   8.440  -1.595 -15.169
  569   1HH2  ARG  68          2HH1      ARG  68   6.542  -4.210 -13.887
  570   2HH2  ARG  68          1HH1      ARG  68   6.736  -2.491 -13.965
  571    H    ALA  69           H        ALA  69  13.513  -7.120 -14.111
  572    HA   ALA  69           HA       ALA  69  14.736  -5.457 -16.240
  573   1HB   ALA  69          1HB       ALA  69  16.261  -7.580 -14.694
  574   2HB   ALA  69          3HB       ALA  69  16.853  -6.747 -16.131
  575   3HB   ALA  69          2HB       ALA  69  16.570  -5.845 -14.643
  576    H    GLU  70           H        GLU  70  12.743  -6.429 -17.233
  577    HA   GLU  70           HA       GLU  70  13.439  -8.978 -18.562
  578   1HB   GLU  70          2HB       GLU  70  11.151  -9.909 -18.090
  579   2HB   GLU  70          1HB       GLU  70  12.170  -9.778 -16.657
  580   1HG   GLU  70          2HG       GLU  70  11.051  -7.428 -16.380
  581   2HG   GLU  70          1HG       GLU  70   9.820  -8.075 -17.462
  582    H    ASN  71           H        ASN  71  11.826  -9.441 -20.366
  583    HA   ASN  71           HA       ASN  71  11.269  -6.929 -21.792
  584   1HB   ASN  71          2HB       ASN  71  11.008  -9.850 -22.562
  585   2HB   ASN  71          1HB       ASN  71  10.541  -8.528 -23.633
  586   1HD2  ASN  71          2HD2      ASN  71  14.477  -9.418 -23.139
  587   2HD2  ASN  71          1HD2      ASN  71  13.277 -10.276 -22.300
  588    H    SER  72           H        SER  72   9.332  -9.823 -20.897
  589    HA   SER  72           HA       SER  72   7.047 -10.067 -20.476
  590   1HB   SER  72          2HB       SER  72   7.257  -7.130 -19.740
  591   2HB   SER  72          1HB       SER  72   5.939  -8.211 -19.297
  592    HG   SER  72           HG       SER  72   7.246  -9.266 -17.936
  593   1HC   CH3  25          1H        LEU  25  -0.046  -3.747 -11.494
  594   2HC   CH3  25          2H        LEU  25  -0.517  -2.059 -11.288
  595   3HC   CH3  25          3H        LEU  25   0.987  -2.649 -10.582
   
  Start of MODEL           4
 Raw file had  595 H/Q atoms
  Start of MODEL    4
    1   1H    GLU   4          1H        GLU   4  -8.281  13.940 -10.469
    2   2H    GLU   4          3H        GLU   4  -7.394  15.380 -10.340
    3   3H    GLU   4          2H        GLU   4  -7.206  14.161  -9.171
    4    HA   GLU   4           HA       GLU   4  -8.554  15.887  -8.243
    5   1HB   GLU   4          2HB       GLU   4 -10.002  15.559 -10.863
    6   2HB   GLU   4          1HB       GLU   4 -10.872  16.162  -9.453
    7   1HG   GLU   4          2HG       GLU   4  -9.293  17.994  -9.197
    8   2HG   GLU   4          1HG       GLU   4  -8.288  17.354 -10.496
    9    H    LEU   5           H        LEU   5  -8.275  13.681  -7.092
   10    HA   LEU   5           HA       LEU   5 -10.958  12.618  -6.533
   11   1HB   LEU   5          2HB       LEU   5  -9.669  11.304  -8.495
   12   2HB   LEU   5          1HB       LEU   5  -8.938  10.499  -7.107
   13    HG   LEU   5           HG       LEU   5 -11.876  10.857  -6.956
   14   1HD1  LEU   5          1HD1      LEU   5 -10.545   9.076  -9.012
   15   2HD1  LEU   5          3HD1      LEU   5 -12.187   8.803  -8.427
   16   3HD1  LEU   5          2HD1      LEU   5 -11.793  10.292  -9.287
   17   1HD2  LEU   5          3HD2      LEU   5  -9.815   9.251  -5.807
   18   2HD2  LEU   5          2HD2      LEU   5 -11.532   9.259  -5.404
   19   3HD2  LEU   5          1HD2      LEU   5 -10.923   8.165  -6.646
   20    NH1  ARG   6           NH1      ARG   6 -12.644  11.517   1.825
   21    NH2  ARG   6           NH2      ARG   6 -14.089   9.783   1.598
   22    H    ARG   6           H        ARG   6 -11.060  12.406  -4.353
   23    HA   ARG   6           HA       ARG   6  -8.784  12.734  -2.651
   24   1HB   ARG   6          2HB       ARG   6 -10.375  12.042  -0.830
   25   2HB   ARG   6          1HB       ARG   6 -10.955  13.362  -1.829
   26   1HG   ARG   6          2HG       ARG   6 -12.811  12.157  -2.257
   27   2HG   ARG   6          1HG       ARG   6 -11.807  10.979  -3.101
   28   1HD   ARG   6          2HD       ARG   6 -12.464   9.512  -1.510
   29   2HD   ARG   6          1HD       ARG   6 -11.356  10.369  -0.438
   30    HE   ARG   6           HE       ARG   6 -14.159  11.349  -0.656
   31   1HH1  ARG   6          2HH1      ARG   6 -12.099  12.250   1.415
   32   2HH1  ARG   6          1HH1      ARG   6 -12.632  11.382   2.815
   33   1HH2  ARG   6          1HH2      ARG   6 -14.646   9.190   1.017
   34   2HH2  ARG   6          2HH2      ARG   6 -14.079   9.644   2.589
   35    H    CYS   7           H        CYS   7  -8.458  11.026  -0.779
   36    HA   CYS   7           HA       CYS   7  -7.283   8.689  -1.964
   37   1HB   CYS   7          2HB       CYS   7  -7.758   9.646   0.830
   38   2HB   CYS   7          1HB       CYS   7  -7.340   7.955   0.587
   39    H    GLN   8           H        GLN   8  -8.331   6.886  -2.641
   40    HA   GLN   8           HA       GLN   8 -11.132   6.443  -2.035
   41   1HB   GLN   8          2HB       GLN   8 -10.900   4.479  -3.455
   42   2HB   GLN   8          1HB       GLN   8 -10.086   5.840  -4.213
   43   1HG   GLN   8          2HG       GLN   8  -8.153   4.688  -4.241
   44   2HG   GLN   8          1HG       GLN   8  -8.215   4.511  -2.488
   45   1HE2  GLN   8          2HE2      GLN   8  -8.980   1.311  -4.801
   46   2HE2  GLN   8          1HE2      GLN   8  -8.373   2.766  -5.427
   47    H    CYS   9           H        CYS   9  -8.346   5.774  -0.227
   48    HA   CYS   9           HA       CYS   9  -9.760   3.534   1.170
   49   1HB   CYS   9          2HB       CYS   9  -6.993   3.738   0.183
   50   2HB   CYS   9          1HB       CYS   9  -7.119   3.203   1.857
   51    H    ILE  10           H        ILE  10 -10.583   4.449   2.988
   52    HA   ILE  10           HA       ILE  10  -9.376   6.699   4.358
   53    HB   ILE  10           HB       ILE  10 -11.407   4.669   5.364
   54   1HG1  ILE  10          2HG1      ILE  10 -12.631   7.149   4.874
   55   2HG1  ILE  10          1HG1      ILE  10 -11.575   6.893   3.486
   56   1HG2  ILE  10          3HG2      ILE  10 -10.414   7.314   6.433
   57   2HG2  ILE  10          2HG2      ILE  10 -11.997   6.675   6.877
   58   3HG2  ILE  10          1HG2      ILE  10 -10.537   5.769   7.276
   59   1HD1  ILE  10          2HD1      ILE  10 -13.055   4.485   4.305
   60   2HD1  ILE  10          1HD1      ILE  10 -14.090   5.808   3.767
   61   3HD1  ILE  10          3HD1      ILE  10 -12.836   5.179   2.699
   62    H    LYS  11           H        LYS  11  -9.202   3.198   4.639
   63    HA   LYS  11           HA       LYS  11  -7.019   3.502   6.661
   64   1HB   LYS  11          2HB       LYS  11  -9.074   1.272   6.431
   65   2HB   LYS  11          1HB       LYS  11  -7.708   1.274   7.547
   66   1HG   LYS  11          2HG       LYS  11  -8.561   3.215   8.703
   67   2HG   LYS  11          1HG       LYS  11  -9.823   3.444   7.493
   68   1HD   LYS  11          2HD       LYS  11 -11.049   2.325   9.096
   69   2HD   LYS  11          1HD       LYS  11 -10.436   0.940   8.193
   70   1HE   LYS  11          2HE       LYS  11  -8.548   1.864  10.229
   71   2HE   LYS  11          1HE       LYS  11 -10.097   1.381  10.918
   72   1HZ   LYS  11          2HZ       LYS  11  -8.480  -0.259   9.043
   73   2HZ   LYS  11          1HZ       LYS  11  -8.546  -0.480  10.726
   74   3HZ   LYS  11          3HZ       LYS  11  -9.935  -0.725   9.786
   75    H    THR  12           H        THR  12  -5.094   2.727   5.879
   76    HA   THR  12           HA       THR  12  -5.125   1.276   3.309
   77    HB   THR  12           HB       THR  12  -2.479   1.475   3.986
   78    HG1  THR  12           HG1      THR  12  -2.749   2.689   5.785
   79   1HG2  THR  12          1HG2      THR  12  -4.282   3.442   2.572
   80   2HG2  THR  12          3HG2      THR  12  -2.521   3.485   2.496
   81   3HG2  THR  12          2HG2      THR  12  -3.397   2.095   1.854
   82    OH   TYR  13           OH       TYR  13  -3.105  -8.469   4.440
   83    H    TYR  13           H        TYR  13  -3.087  -0.337   3.232
   84    HA   TYR  13           HA       TYR  13  -3.821  -2.501   5.097
   85   1HB   TYR  13          2HB       TYR  13  -3.606  -2.686   2.512
   86   2HB   TYR  13          1HB       TYR  13  -1.873  -2.712   2.810
   87    HD1  TYR  13           HD1      TYR  13  -4.340  -4.133   5.158
   88    HD2  TYR  13           HD2      TYR  13  -1.514  -4.930   2.028
   89    HE1  TYR  13           HE1      TYR  13  -4.452  -6.562   5.685
   90    HE2  TYR  13           HE2      TYR  13  -1.619  -7.363   2.551
   91    HH   TYR  13           HH       TYR  13  -2.396  -8.676   5.053
   92    H    SER  14           H        SER  14  -2.684  -2.465   6.981
   93    HA   SER  14           HA       SER  14   0.107  -1.506   7.042
   94   1HB   SER  14          2HB       SER  14  -1.734  -2.542   9.220
   95   2HB   SER  14          1HB       SER  14  -0.092  -1.970   9.502
   96    HG   SER  14           HG       SER  14  -0.709   0.042   9.092
   97    H    LYS  15           H        LYS  15  -1.658  -4.552   7.091
   98    HA   LYS  15           HA       LYS  15   0.637  -6.132   7.940
   99   1HB   LYS  15          2HB       LYS  15  -1.405  -7.531   6.353
  100   2HB   LYS  15          1HB       LYS  15  -0.747  -7.931   7.919
  101   1HG   LYS  15          2HG       LYS  15  -2.835  -5.783   7.449
  102   2HG   LYS  15          1HG       LYS  15  -3.181  -7.411   8.018
  103   1HD   LYS  15          2HD       LYS  15  -1.196  -6.628   9.754
  104   2HD   LYS  15          1HD       LYS  15  -2.067  -5.116   9.488
  105   1HE   LYS  15          2HE       LYS  15  -3.360  -5.976  11.193
  106   2HE   LYS  15          1HE       LYS  15  -4.184  -6.720   9.824
  107   1HZ   LYS  15          3HZ       LYS  15  -2.014  -7.982  11.416
  108   2HZ   LYS  15          2HZ       LYS  15  -3.671  -8.332  11.559
  109   3HZ   LYS  15          1HZ       LYS  15  -2.844  -8.699  10.121
  110    HA   PRO  16           HA       PRO  16   2.490  -6.162   3.930
  111   1HB   PRO  16          2HB       PRO  16   4.499  -7.907   4.560
  112   2HB   PRO  16          1HB       PRO  16   4.484  -6.221   5.058
  113   1HG   PRO  16          2HG       PRO  16   4.034  -8.649   6.703
  114   2HG   PRO  16          1HG       PRO  16   4.534  -7.029   7.214
  115   1HD   PRO  16          2HD       PRO  16   1.906  -8.162   7.399
  116   2HD   PRO  16          1HD       PRO  16   2.378  -6.498   7.786
  117    H    PHE  17           H        PHE  17   2.926  -7.667   2.155
  118    HA   PHE  17           HA       PHE  17   2.204 -10.476   2.412
  119   1HB   PHE  17          2HB       PHE  17   0.211 -10.511   1.089
  120   2HB   PHE  17          1HB       PHE  17  -0.037  -9.294   2.333
  121    HD1  PHE  17           HD1      PHE  17   0.614  -6.818   1.659
  122    HD2  PHE  17           HD2      PHE  17  -0.192  -9.975  -1.143
  123    HE1  PHE  17           HE1      PHE  17   0.135  -5.137  -0.101
  124    HE2  PHE  17           HE2      PHE  17  -0.667  -8.293  -2.900
  125    HZ   PHE  17           HZ       PHE  17  -0.504  -5.876  -2.379
  126    H    HIS  18           H        HIS  18   2.508 -11.663   0.372
  127    HA   HIS  18           HA       HIS  18   4.798 -10.723  -1.085
  128   1HB   HIS  18          2HB       HIS  18   4.624 -13.042  -0.738
  129   2HB   HIS  18          1HB       HIS  18   2.969 -13.087  -1.330
  130    HD1  HIS  18           HD1      HIS  18   6.525 -13.065  -2.497
  131    HD2  HIS  18           HD2      HIS  18   2.710 -12.917  -4.104
  132    HE1  HIS  18           HE1      HIS  18   6.773 -13.460  -4.996
  133    HA   PRO  19           HA       PRO  19   2.884  -8.264  -4.162
  134   1HB   PRO  19          2HB       PRO  19   5.013  -8.086  -5.872
  135   2HB   PRO  19          1HB       PRO  19   4.880  -7.196  -4.347
  136   1HG   PRO  19          2HG       PRO  19   6.538  -9.588  -4.993
  137   2HG   PRO  19          1HG       PRO  19   6.834  -8.304  -3.810
  138   1HD   PRO  19          2HD       PRO  19   5.864 -10.880  -3.219
  139   2HD   PRO  19          1HD       PRO  19   5.799  -9.480  -2.133
  140    H    LYS  20           H        LYS  20   4.670 -11.060  -5.599
  141    HA   LYS  20           HA       LYS  20   3.678 -10.911  -8.180
  142   1HB   LYS  20          2HB       LYS  20   5.251 -12.682  -7.132
  143   2HB   LYS  20          1HB       LYS  20   3.765 -13.599  -6.948
  144   1HG   LYS  20          2HG       LYS  20   3.298 -13.333  -9.364
  145   2HG   LYS  20          1HG       LYS  20   4.816 -12.450  -9.542
  146   1HD   LYS  20          2HD       LYS  20   5.977 -14.498  -8.562
  147   2HD   LYS  20          1HD       LYS  20   4.445 -15.351  -8.760
  148   1HE   LYS  20          2HE       LYS  20   4.502 -14.620 -11.205
  149   2HE   LYS  20          1HE       LYS  20   6.167 -14.114 -10.920
  150   1HZ   LYS  20          2HZ       LYS  20   5.091 -16.851 -10.487
  151   2HZ   LYS  20          1HZ       LYS  20   6.065 -16.363 -11.792
  152   3HZ   LYS  20          3HZ       LYS  20   6.697 -16.363 -10.218
  153    H    PHE  21           H        PHE  21   1.792 -11.852  -5.361
  154    HA   PHE  21           HA       PHE  21  -0.396 -13.102  -6.709
  155   1HB   PHE  21          2HB       PHE  21  -0.582 -11.359  -4.282
  156   2HB   PHE  21          1HB       PHE  21  -1.703 -12.608  -4.756
  157    HD1  PHE  21           HD1      PHE  21   0.535 -14.628  -5.613
  158    HD2  PHE  21           HD2      PHE  21  -0.122 -12.250  -2.094
  159    HE1  PHE  21           HE1      PHE  21   1.806 -16.270  -4.256
  160    HE2  PHE  21           HE2      PHE  21   1.148 -13.890  -0.744
  161    HZ   PHE  21           HZ       PHE  21   2.112 -15.905  -1.826
  162    H    ILE  22           H        ILE  22   0.427  -9.750  -6.043
  163    HA   ILE  22           HA       ILE  22  -1.990  -8.488  -6.884
  164    HB   ILE  22           HB       ILE  22   0.864  -7.466  -7.023
  165   1HG1  ILE  22          2HG1      ILE  22  -1.094  -6.724  -4.880
  166   2HG1  ILE  22          1HG1      ILE  22  -0.280  -8.285  -4.768
  167   1HG2  ILE  22          1HG2      ILE  22  -1.826  -6.133  -7.249
  168   2HG2  ILE  22          3HG2      ILE  22  -0.397  -5.234  -6.743
  169   3HG2  ILE  22          2HG2      ILE  22  -0.445  -5.996  -8.334
  170   1HD1  ILE  22          2HD1      ILE  22   1.816  -6.647  -5.403
  171   2HD1  ILE  22          1HD1      ILE  22   0.818  -5.562  -4.436
  172   3HD1  ILE  22          3HD1      ILE  22   1.374  -7.090  -3.755
  173    H    LYS  23           H        LYS  23  -2.861  -8.357  -8.867
  174    HA   LYS  23           HA       LYS  23  -1.224  -9.075 -11.233
  175   1HB   LYS  23          2HB       LYS  23  -3.661  -9.919 -10.672
  176   2HB   LYS  23          1HB       LYS  23  -4.143  -8.369 -11.363
  177   1HG   LYS  23          2HG       LYS  23  -4.150  -9.849 -13.211
  178   2HG   LYS  23          1HG       LYS  23  -2.616  -8.992 -13.351
  179   1HD   LYS  23          2HD       LYS  23  -1.881 -11.077 -11.752
  180   2HD   LYS  23          1HD       LYS  23  -3.137 -11.839 -12.728
  181   1HE   LYS  23          2HE       LYS  23  -1.982 -11.489 -14.730
  182   2HE   LYS  23          1HE       LYS  23  -1.036 -10.156 -14.067
  183   1HZ   LYS  23          1HZ       LYS  23  -0.764 -12.999 -13.247
  184   2HZ   LYS  23          3HZ       LYS  23   0.263 -12.205 -14.339
  185   3HZ   LYS  23          2HZ       LYS  23   0.195 -11.698 -12.719
  186    H    GLU  24           H        GLU  24  -2.634  -6.295  -9.651
  187    HA   GLU  24           HA       GLU  24  -1.520  -4.564 -11.799
  188   1HB   GLU  24          2HB       GLU  24  -4.377  -4.633 -10.857
  189   2HB   GLU  24          1HB       GLU  24  -3.674  -3.119 -11.425
  190   1HG   GLU  24          2HG       GLU  24  -3.210  -4.032 -13.586
  191   2HG   GLU  24          1HG       GLU  24  -3.538  -5.675 -13.036
  192    HA   LEU  25           HA       LEU  25  -0.761  -2.600  -7.803
  193   1HB   LEU  25          2HB       LEU  25   1.197  -3.947  -7.590
  194   2HB   LEU  25          1HB       LEU  25   1.958  -3.197  -8.992
  195    HG   LEU  25           HG       LEU  25   1.223  -1.227  -6.956
  196   1HD1  LEU  25          2HD1      LEU  25   2.115  -3.638  -5.893
  197   2HD1  LEU  25          1HD1      LEU  25   3.572  -2.650  -5.985
  198   3HD1  LEU  25          3HD1      LEU  25   2.166  -2.065  -5.096
  199   1HD2  LEU  25          3HD2      LEU  25   3.147  -1.623  -8.990
  200   2HD2  LEU  25          2HD2      LEU  25   2.973  -0.210  -7.949
  201   3HD2  LEU  25          1HD2      LEU  25   4.054  -1.522  -7.483
  202    NH1  ARG  26           NH1      ARG  26  -7.154   3.124 -10.029
  203    NH2  ARG  26           NH2      ARG  26  -5.620   4.696 -10.595
  204    H    ARG  26           H        ARG  26  -1.676  -0.575  -8.218
  205    HA   ARG  26           HA       ARG  26   0.125   1.314  -9.652
  206   1HB   ARG  26          2HB       ARG  26  -2.024   2.549 -10.310
  207   2HB   ARG  26          1HB       ARG  26  -1.730   1.013 -11.121
  208   1HG   ARG  26          2HG       ARG  26  -3.348  -0.120  -9.818
  209   2HG   ARG  26          1HG       ARG  26  -3.386   1.155  -8.601
  210   1HD   ARG  26          2HD       ARG  26  -4.082   1.999 -11.356
  211   2HD   ARG  26          1HD       ARG  26  -5.239   0.921 -10.575
  212    HE   ARG  26           HE       ARG  26  -4.584   2.958  -8.710
  213   1HH1  ARG  26          2HH1      ARG  26  -7.374   2.232  -9.631
  214   2HH1  ARG  26          1HH1      ARG  26  -7.886   3.702 -10.394
  215   1HH2  ARG  26          1HH2      ARG  26  -4.669   5.007 -10.630
  216   2HH2  ARG  26          2HH2      ARG  26  -6.347   5.279 -10.961
  217    H    VAL  27           H        VAL  27   0.720   3.061  -8.442
  218    HA   VAL  27           HA       VAL  27  -0.682   3.531  -5.861
  219    HB   VAL  27           HB       VAL  27   1.386   4.875  -5.339
  220   1HG1  VAL  27          1HG1      VAL  27   1.030   2.406  -4.800
  221   2HG1  VAL  27          3HG1      VAL  27   2.060   2.059  -6.186
  222   3HG1  VAL  27          2HG1      VAL  27   2.702   2.961  -4.813
  223   1HG2  VAL  27          1HG2      VAL  27   1.909   5.175  -7.857
  224   2HG2  VAL  27          3HG2      VAL  27   3.266   4.854  -6.776
  225   3HG2  VAL  27          2HG2      VAL  27   2.600   3.554  -7.764
  226    H    ILE  28           H        ILE  28  -1.371   5.673  -5.279
  227    HA   ILE  28           HA       ILE  28  -1.770   7.468  -7.637
  228    HB   ILE  28           HB       ILE  28  -3.199   7.384  -4.957
  229   1HG1  ILE  28          2HG1      ILE  28  -4.170   6.703  -7.754
  230   2HG1  ILE  28          1HG1      ILE  28  -3.723   5.513  -6.532
  231   1HG2  ILE  28          2HG2      ILE  28  -3.526   9.169  -7.386
  232   2HG2  ILE  28          1HG2      ILE  28  -4.763   9.006  -6.139
  233   3HG2  ILE  28          3HG2      ILE  28  -3.180   9.665  -5.730
  234   1HD1  ILE  28          2HD1      ILE  28  -5.913   7.593  -6.238
  235   2HD1  ILE  28          1HD1      ILE  28  -6.167   5.877  -6.561
  236   3HD1  ILE  28          3HD1      ILE  28  -5.467   6.392  -5.026
  237    H    GLU  29           H        GLU  29  -1.037   9.604  -7.568
  238    HA   GLU  29           HA       GLU  29   1.139  10.192  -5.744
  239   1HB   GLU  29          2HB       GLU  29  -0.298  11.841  -7.839
  240   2HB   GLU  29          1HB       GLU  29   1.080  12.433  -6.920
  241   1HG   GLU  29          2HG       GLU  29   2.295  10.295  -7.716
  242   2HG   GLU  29          1HG       GLU  29   0.994  10.160  -8.901
  243    H    SER  30           H        SER  30   1.108  12.488  -4.659
  244    HA   SER  30           HA       SER  30  -1.423  12.681  -3.086
  245   1HB   SER  30          2HB       SER  30   0.266  14.169  -1.643
  246   2HB   SER  30          1HB       SER  30   0.192  12.421  -1.466
  247    HG   SER  30           HG       SER  30   2.112  12.275  -2.331
  248    H    GLY  31           H        GLY  31  -2.146  14.866  -2.509
  249   1HA   GLY  31          2HA       GLY  31  -1.130  17.250  -3.713
  250   2HA   GLY  31          1HA       GLY  31  -2.406  16.603  -4.736
  251    HA   PRO  32           HA       PRO  32  -4.654  19.105  -1.635
  252   1HB   PRO  32          2HB       PRO  32  -6.568  19.938  -3.436
  253   2HB   PRO  32          1HB       PRO  32  -5.034  20.785  -3.173
  254   1HG   PRO  32          2HG       PRO  32  -5.846  19.027  -5.448
  255   2HG   PRO  32          1HG       PRO  32  -4.704  20.381  -5.428
  256   1HD   PRO  32          2HD       PRO  32  -3.989  17.662  -5.414
  257   2HD   PRO  32          1HD       PRO  32  -2.920  19.006  -4.958
  258    H    HIS  33           H        HIS  33  -5.790  16.874  -4.114
  259    HA   HIS  33           HA       HIS  33  -8.325  16.157  -3.059
  260   1HB   HIS  33          2HB       HIS  33  -8.008  14.039  -4.358
  261   2HB   HIS  33          1HB       HIS  33  -7.632  15.473  -5.307
  262    HD1  HIS  33           HD1      HIS  33  -5.047  16.009  -5.677
  263    HD2  HIS  33           HD2      HIS  33  -5.822  12.302  -3.934
  264    HE1  HIS  33           HE1      HIS  33  -2.859  14.742  -5.703
  265    H    CYS  34           H        CYS  34  -5.069  14.994  -2.291
  266    HA   CYS  34           HA       CYS  34  -6.008  13.958   0.257
  267   1HB   CYS  34          2HB       CYS  34  -6.180  12.073  -1.558
  268   2HB   CYS  34          1HB       CYS  34  -4.420  12.047  -1.443
  269    H    ALA  35           H        ALA  35  -4.550  14.820   1.646
  270    HA   ALA  35           HA       ALA  35  -2.032  15.901   0.845
  271   1HB   ALA  35          1HB       ALA  35  -3.448  16.423   2.949
  272   2HB   ALA  35          3HB       ALA  35  -2.631  15.035   3.667
  273   3HB   ALA  35          2HB       ALA  35  -1.692  16.423   3.120
  274    H    ASN  36           H        ASN  36  -2.854  12.787   2.362
  275    HA   ASN  36           HA       ASN  36  -0.010  11.987   2.352
  276   1HB   ASN  36          2HB       ASN  36  -2.546  10.883   3.498
  277   2HB   ASN  36          1HB       ASN  36  -1.208   9.775   3.205
  278   1HD2  ASN  36          2HD2      ASN  36   0.855  11.170   5.769
  279   2HD2  ASN  36          1HD2      ASN  36   0.858  10.217   4.366
  280    H    THR  37           H        THR  37   0.819  10.302   1.074
  281    HA   THR  37           HA       THR  37  -0.563   9.843  -1.474
  282    HB   THR  37           HB       THR  37   1.933   8.361  -0.700
  283    HG1  THR  37           HG1      THR  37   2.886  10.157  -0.240
  284   1HG2  THR  37          3HG2      THR  37   0.794   9.650  -3.179
  285   2HG2  THR  37          2HG2      THR  37   2.486   9.163  -3.086
  286   3HG2  THR  37          1HG2      THR  37   1.211   7.957  -2.917
  287    H    GLU  38           H        GLU  38  -1.035   7.612  -2.286
  288    HA   GLU  38           HA       GLU  38  -1.268   5.550  -0.149
  289   1HB   GLU  38          2HB       GLU  38  -3.419   7.102  -0.662
  290   2HB   GLU  38          1HB       GLU  38  -3.648   5.872  -1.904
  291   1HG   GLU  38          2HG       GLU  38  -4.028   4.199  -0.373
  292   2HG   GLU  38          1HG       GLU  38  -2.939   4.904   0.822
  293    H    ILE  39           H        ILE  39  -1.027   3.469  -0.904
  294    HA   ILE  39           HA       ILE  39  -0.404   3.159  -3.802
  295    HB   ILE  39           HB       ILE  39   0.063   1.412  -1.363
  296   1HG1  ILE  39          2HG1      ILE  39   2.448   1.847  -2.746
  297   2HG1  ILE  39          1HG1      ILE  39   1.610   3.394  -2.851
  298   1HG2  ILE  39          2HG2      ILE  39   0.547   0.815  -4.292
  299   2HG2  ILE  39          1HG2      ILE  39   1.364  -0.048  -2.990
  300   3HG2  ILE  39          3HG2      ILE  39  -0.390  -0.134  -3.141
  301   1HD1  ILE  39          2HD1      ILE  39   1.530   2.088  -0.194
  302   2HD1  ILE  39          1HD1      ILE  39   3.120   2.642  -0.716
  303   3HD1  ILE  39          3HD1      ILE  39   1.779   3.784  -0.609
  304    H    ILE  40           H        ILE  40  -1.397   1.211  -4.935
  305    HA   ILE  40           HA       ILE  40  -3.846   0.134  -3.675
  306    HB   ILE  40           HB       ILE  40  -3.990   1.609  -6.324
  307   1HG1  ILE  40          2HG1      ILE  40  -5.291   2.337  -3.683
  308   2HG1  ILE  40          1HG1      ILE  40  -3.788   3.060  -4.250
  309   1HG2  ILE  40          2HG2      ILE  40  -5.471  -0.370  -6.128
  310   2HG2  ILE  40          1HG2      ILE  40  -6.122   0.276  -4.621
  311   3HG2  ILE  40          3HG2      ILE  40  -6.401   1.128  -6.139
  312   1HD1  ILE  40          1HD1      ILE  40  -6.336   3.066  -5.883
  313   2HD1  ILE  40          3HD1      ILE  40  -5.885   4.380  -4.798
  314   3HD1  ILE  40          2HD1      ILE  40  -4.866   3.991  -6.182
  315    H    VAL  41           H        VAL  41  -3.179  -1.975  -3.891
  316    HA   VAL  41           HA       VAL  41  -2.258  -2.905  -6.547
  317    HB   VAL  41           HB       VAL  41  -1.624  -4.960  -5.370
  318   1HG1  VAL  41          2HG1      VAL  41  -0.709  -2.354  -4.167
  319   2HG1  VAL  41          1HG1      VAL  41   0.029  -3.895  -3.732
  320   3HG1  VAL  41          3HG1      VAL  41   0.094  -3.326  -5.399
  321   1HG2  VAL  41          1HG2      VAL  41  -3.475  -3.984  -3.419
  322   2HG2  VAL  41          3HG2      VAL  41  -2.652  -5.542  -3.458
  323   3HG2  VAL  41          2HG2      VAL  41  -1.901  -4.170  -2.650
  324    H    LYS  42           H        LYS  42  -3.198  -5.026  -7.281
  325    HA   LYS  42           HA       LYS  42  -5.994  -5.468  -6.380
  326   1HB   LYS  42          2HB       LYS  42  -5.149  -4.361  -8.938
  327   2HB   LYS  42          1HB       LYS  42  -6.031  -5.871  -9.162
  328   1HG   LYS  42          2HG       LYS  42  -7.728  -4.869  -7.461
  329   2HG   LYS  42          1HG       LYS  42  -6.963  -3.327  -7.847
  330   1HD   LYS  42          2HD       LYS  42  -7.918  -5.171 -10.034
  331   2HD   LYS  42          1HD       LYS  42  -9.026  -4.044  -9.251
  332   1HE   LYS  42          2HE       LYS  42  -6.389  -3.025 -10.258
  333   2HE   LYS  42          1HE       LYS  42  -7.694  -3.304 -11.409
  334   1HZ   LYS  42          3HZ       LYS  42  -9.128  -1.892 -10.041
  335   2HZ   LYS  42          2HZ       LYS  42  -7.831  -1.587  -8.986
  336   3HZ   LYS  42          1HZ       LYS  42  -7.764  -1.049 -10.596
  337    H    LEU  43           H        LEU  43  -5.413  -7.452  -5.441
  338    HA   LEU  43           HA       LEU  43  -3.663  -9.400  -6.415
  339   1HB   LEU  43          2HB       LEU  43  -6.228  -9.694  -4.851
  340   2HB   LEU  43          1HB       LEU  43  -5.124 -11.021  -5.139
  341    HG   LEU  43           HG       LEU  43  -4.358  -8.412  -3.799
  342   1HD1  LEU  43          2HD1      LEU  43  -5.934 -10.064  -2.552
  343   2HD1  LEU  43          1HD1      LEU  43  -4.514 -11.105  -2.452
  344   3HD1  LEU  43          3HD1      LEU  43  -4.486  -9.502  -1.718
  345   1HD2  LEU  43          2HD2      LEU  43  -2.880 -10.940  -4.509
  346   2HD2  LEU  43          1HD2      LEU  43  -2.385  -9.265  -4.748
  347   3HD2  LEU  43          3HD2      LEU  43  -2.363  -9.968  -3.131
  348    H    SER  44           H        SER  44  -3.837 -11.122  -7.810
  349    HA   SER  44           HA       SER  44  -5.509 -10.910 -10.077
  350   1HB   SER  44          2HB       SER  44  -4.706 -13.272 -10.563
  351   2HB   SER  44          1HB       SER  44  -3.439 -12.077 -10.307
  352    HG   SER  44           HG       SER  44  -2.849 -13.671  -8.981
  353    H    ASP  45           H        ASP  45  -6.070 -12.528  -7.011
  354    HA   ASP  45           HA       ASP  45  -8.123 -14.306  -7.909
  355   1HB   ASP  45          2HB       ASP  45  -8.586 -14.708  -5.624
  356   2HB   ASP  45          1HB       ASP  45  -6.869 -14.316  -5.649
  357    H    GLY  46           H        GLY  46  -8.059 -10.905  -7.644
  358   1HA   GLY  46          2HA       GLY  46  -9.917  -9.613  -8.575
  359   2HA   GLY  46          1HA       GLY  46 -11.025 -10.809  -7.902
  360    NH1  ARG  47           NH2      ARG  47 -11.947  -7.435   0.362
  361    NH2  ARG  47           NH1      ARG  47 -12.669  -9.580   0.213
  362    H    ARG  47           H        ARG  47  -8.250  -9.481  -6.133
  363    HA   ARG  47           HA       ARG  47 -10.212  -8.226  -4.244
  364   1HB   ARG  47          2HB       ARG  47  -8.659 -10.197  -3.537
  365   2HB   ARG  47          1HB       ARG  47  -7.384  -8.983  -3.544
  366   1HG   ARG  47          2HG       ARG  47  -8.126  -8.885  -1.328
  367   2HG   ARG  47          1HG       ARG  47  -9.064  -7.596  -2.078
  368   1HD   ARG  47          2HD       ARG  47 -11.000  -9.020  -2.284
  369   2HD   ARG  47          1HD       ARG  47 -10.073 -10.436  -1.789
  370    HE   ARG  47           HE       ARG  47  -9.807  -9.169   0.453
  371   1HH1  ARG  47          1HH2      ARG  47 -11.212  -6.762   0.287
  372   2HH1  ARG  47          2HH2      ARG  47 -12.867  -7.142   0.627
  373   1HH2  ARG  47          2HH1      ARG  47 -12.484 -10.546   0.025
  374   2HH2  ARG  47          1HH1      ARG  47 -13.590  -9.291   0.477
  375    H    GLU  48           H        GLU  48  -9.516  -6.201  -3.229
  376    HA   GLU  48           HA       GLU  48  -7.339  -4.744  -4.660
  377   1HB   GLU  48          2HB       GLU  48  -9.677  -4.150  -5.549
  378   2HB   GLU  48          1HB       GLU  48  -9.985  -3.441  -3.962
  379   1HG   GLU  48          2HG       GLU  48  -8.150  -1.892  -4.217
  380   2HG   GLU  48          1HG       GLU  48  -7.607  -2.697  -5.688
  381    H    LEU  49           H        LEU  49  -5.925  -4.075  -3.144
  382    HA   LEU  49           HA       LEU  49  -6.987  -3.200  -0.483
  383   1HB   LEU  49          2HB       LEU  49  -5.213  -5.449  -1.068
  384   2HB   LEU  49          1HB       LEU  49  -4.466  -4.278   0.017
  385    HG   LEU  49           HG       LEU  49  -6.720  -4.369   1.311
  386   1HD1  LEU  49          1HD1      LEU  49  -6.961  -6.592  -0.653
  387   2HD1  LEU  49          3HD1      LEU  49  -7.454  -6.945   1.003
  388   3HD1  LEU  49          2HD1      LEU  49  -8.223  -5.629   0.116
  389   1HD2  LEU  49          2HD2      LEU  49  -4.356  -5.449   1.799
  390   2HD2  LEU  49          1HD2      LEU  49  -5.755  -5.916   2.764
  391   3HD2  LEU  49          3HD2      LEU  49  -5.203  -6.956   1.451
  392    H    CYS  50           H        CYS  50  -6.275  -1.141  -0.111
  393    HA   CYS  50           HA       CYS  50  -4.092  -0.026  -1.704
  394   1HB   CYS  50          2HB       CYS  50  -5.300   1.331   0.640
  395   2HB   CYS  50          1HB       CYS  50  -4.651   2.045  -0.811
  396    H    LEU  51           H        LEU  51  -2.023   0.433  -0.891
  397    HA   LEU  51           HA       LEU  51  -1.390  -0.932   1.644
  398   1HB   LEU  51          2HB       LEU  51   0.350  -0.085  -0.654
  399   2HB   LEU  51          1HB       LEU  51   0.973  -0.751   0.831
  400    HG   LEU  51           HG       LEU  51  -0.552  -2.750   0.453
  401   1HD1  LEU  51          1HD1      LEU  51  -1.192  -1.118  -1.896
  402   2HD1  LEU  51          3HD1      LEU  51  -0.812  -2.795  -2.270
  403   3HD1  LEU  51          2HD1      LEU  51  -2.106  -2.421  -1.138
  404   1HD2  LEU  51          1HD2      LEU  51   1.640  -2.128  -1.548
  405   2HD2  LEU  51          3HD2      LEU  51   1.838  -2.915   0.018
  406   3HD2  LEU  51          2HD2      LEU  51   0.972  -3.739  -1.278
  407    H    ASP  52           H        ASP  52   0.110  -0.009   3.069
  408    HA   ASP  52           HA       ASP  52  -0.166   2.945   3.302
  409   1HB   ASP  52          2HB       ASP  52  -0.986   1.300   5.121
  410   2HB   ASP  52          1HB       ASP  52   0.718   1.032   5.473
  411    HA   PRO  53           HA       PRO  53   4.171   2.923   2.193
  412   1HB   PRO  53          2HB       PRO  53   4.415   5.670   2.181
  413   2HB   PRO  53          1HB       PRO  53   3.782   4.719   0.826
  414   1HG   PRO  53          2HG       PRO  53   2.291   6.370   2.828
  415   2HG   PRO  53          1HG       PRO  53   1.890   6.022   1.136
  416   1HD   PRO  53          2HD       PRO  53   0.702   4.774   3.336
  417   2HD   PRO  53          1HD       PRO  53   0.718   4.117   1.686
  418    H    LYS  54           H        LYS  54   2.712   3.859   5.130
  419    HA   LYS  54           HA       LYS  54   4.859   5.123   6.480
  420   1HB   LYS  54          2HB       LYS  54   2.403   3.658   7.285
  421   2HB   LYS  54          1HB       LYS  54   3.662   3.823   8.504
  422   1HG   LYS  54          2HG       LYS  54   3.073   6.288   6.978
  423   2HG   LYS  54          1HG       LYS  54   1.763   5.723   8.015
  424   1HD   LYS  54          2HD       LYS  54   4.529   5.769   9.152
  425   2HD   LYS  54          1HD       LYS  54   3.683   7.305   8.966
  426   1HE   LYS  54          2HE       LYS  54   1.733   6.309  10.200
  427   2HE   LYS  54          1HE       LYS  54   2.717   4.877  10.502
  428   1HZ   LYS  54          3HZ       LYS  54   4.346   6.293  11.612
  429   2HZ   LYS  54          2HZ       LYS  54   3.357   7.650  11.356
  430   3HZ   LYS  54          1HZ       LYS  54   2.829   6.388  12.363
  431    H    GLU  55           H        GLU  55   4.215   1.721   5.734
  432    HA   GLU  55           HA       GLU  55   6.389   0.796   7.491
  433   1HB   GLU  55          2HB       GLU  55   4.477  -0.547   5.590
  434   2HB   GLU  55          1HB       GLU  55   5.863  -1.406   6.219
  435   1HG   GLU  55          2HG       GLU  55   3.728  -0.099   7.901
  436   2HG   GLU  55          1HG       GLU  55   3.863  -1.821   7.591
  437    H    ASN  56           H        ASN  56   8.023  -0.700   6.408
  438    HA   ASN  56           HA       ASN  56   9.162   0.688   4.047
  439   1HB   ASN  56          2HB       ASN  56  10.272  -0.534   6.367
  440   2HB   ASN  56          1HB       ASN  56  10.880  -1.362   4.939
  441   1HD2  ASN  56          2HD2      ASN  56  11.826   2.597   5.495
  442   2HD2  ASN  56          1HD2      ASN  56  10.518   1.928   6.344
  443    CH2  TRP  57           CH2      TRP  57   1.672  -4.273   2.410
  444    H    TRP  57           H        TRP  57   7.477  -2.176   4.923
  445    HA   TRP  57           HA       TRP  57   8.477  -3.843   2.811
  446   1HB   TRP  57          2HB       TRP  57   6.877  -5.434   3.533
  447   2HB   TRP  57          1HB       TRP  57   7.413  -4.628   4.980
  448    HD1  TRP  57           HD1      TRP  57   5.654  -3.460   6.387
  449    HE1  TRP  57           HE1      TRP  57   3.114  -3.190   6.226
  450    HE3  TRP  57           HE3      TRP  57   4.897  -5.025   1.608
  451    HZ2  TRP  57           HZ2      TRP  57   1.019  -3.524   4.319
  452    HZ3  TRP  57           HZ3      TRP  57   2.628  -5.011   0.633
  453    HH2  TRP  57           HH2      TRP  57   0.683  -4.273   1.978
  454    H    VAL  58           H        VAL  58   5.705  -1.679   3.207
  455    HA   VAL  58           HA       VAL  58   4.383  -2.403   0.756
  456    HB   VAL  58           HB       VAL  58   4.368   0.036   2.515
  457   1HG1  VAL  58          1HG1      VAL  58   3.098  -0.250  -0.209
  458   2HG1  VAL  58          3HG1      VAL  58   2.462   0.855   1.009
  459   3HG1  VAL  58          2HG1      VAL  58   4.100   1.072   0.391
  460   1HG2  VAL  58          2HG2      VAL  58   2.461  -2.159   1.787
  461   2HG2  VAL  58          1HG2      VAL  58   3.011  -1.656   3.384
  462   3HG2  VAL  58          3HG2      VAL  58   1.871  -0.655   2.488
  463    H    GLN  59           H        GLN  59   6.811   0.107   1.500
  464    HA   GLN  59           HA       GLN  59   6.971   1.009  -1.240
  465   1HB   GLN  59          2HB       GLN  59   8.796   2.394  -0.483
  466   2HB   GLN  59          1HB       GLN  59   7.503   2.455   0.711
  467   1HG   GLN  59          2HG       GLN  59   8.650   0.697   2.005
  468   2HG   GLN  59          1HG       GLN  59   9.967   0.715   0.837
  469   1HE2  GLN  59          2HE2      GLN  59  11.412   3.709   2.101
  470   2HE2  GLN  59          1HE2      GLN  59  11.432   2.561   0.851
  471    NH1  ARG  60           NH2      ARG  60  11.037  -5.578   3.138
  472    NH2  ARG  60           NH1      ARG  60  13.214  -5.805   3.733
  473    H    ARG  60           H        ARG  60   8.518  -1.522   0.600
  474    HA   ARG  60           HA       ARG  60  10.702  -1.862  -1.342
  475   1HB   ARG  60          2HB       ARG  60   9.851  -3.192   1.203
  476   2HB   ARG  60          1HB       ARG  60  10.829  -4.125   0.073
  477   1HG   ARG  60          2HG       ARG  60  12.605  -2.524   0.134
  478   2HG   ARG  60          1HG       ARG  60  11.599  -1.341   0.969
  479   1HD   ARG  60          2HD       ARG  60  13.127  -2.400   2.565
  480   2HD   ARG  60          1HD       ARG  60  11.466  -2.864   2.928
  481    HE   ARG  60           HE       ARG  60  13.138  -4.689   1.269
  482   1HH1  ARG  60          1HH2      ARG  60  10.336  -5.160   2.558
  483   2HH1  ARG  60          2HH2      ARG  60  10.774  -6.241   3.840
  484   1HH2  ARG  60          2HH1      ARG  60  14.177  -5.561   3.609
  485   2HH2  ARG  60          1HH1      ARG  60  12.955  -6.467   4.436
  486    H    VAL  61           H        VAL  61   7.614  -3.379  -0.484
  487    HA   VAL  61           HA       VAL  61   7.796  -5.541  -2.382
  488    HB   VAL  61           HB       VAL  61   5.479  -4.204  -0.957
  489   1HG1  VAL  61          1HG1      VAL  61   5.437  -6.612  -2.792
  490   2HG1  VAL  61          3HG1      VAL  61   4.107  -6.127  -1.742
  491   3HG1  VAL  61          2HG1      VAL  61   4.614  -5.074  -3.063
  492   1HG2  VAL  61          2HG2      VAL  61   7.116  -5.605   0.342
  493   2HG2  VAL  61          1HG2      VAL  61   5.471  -6.237   0.367
  494   3HG2  VAL  61          3HG2      VAL  61   6.682  -6.974  -0.680
  495    H    VAL  62           H        VAL  62   6.457  -2.247  -2.516
  496    HA   VAL  62           HA       VAL  62   5.359  -2.494  -5.176
  497    HB   VAL  62           HB       VAL  62   6.192  -0.098  -3.510
  498   1HG1  VAL  62          3HG1      VAL  62   4.938  -0.204  -6.268
  499   2HG1  VAL  62          2HG1      VAL  62   4.881   1.224  -5.234
  500   3HG1  VAL  62          1HG1      VAL  62   6.433   0.607  -5.801
  501   1HG2  VAL  62          2HG2      VAL  62   4.052  -1.722  -3.202
  502   2HG2  VAL  62          1HG2      VAL  62   3.992   0.006  -2.856
  503   3HG2  VAL  62          3HG2      VAL  62   3.396  -0.606  -4.399
  504    H    GLU  63           H        GLU  63   8.479  -1.294  -3.907
  505    HA   GLU  63           HA       GLU  63   9.578  -0.554  -6.427
  506   1HB   GLU  63          2HB       GLU  63  10.711  -1.177  -3.719
  507   2HB   GLU  63          1HB       GLU  63  11.803  -1.012  -5.092
  508   1HG   GLU  63          2HG       GLU  63  10.943   1.224  -5.561
  509   2HG   GLU  63          1HG       GLU  63   9.749   1.062  -4.273
  510    H    LYS  64           H        LYS  64   9.835  -3.580  -4.526
  511    HA   LYS  64           HA       LYS  64  11.521  -4.955  -6.362
  512   1HB   LYS  64          2HB       LYS  64  10.723  -5.561  -3.911
  513   2HB   LYS  64          1HB       LYS  64   9.456  -6.433  -4.772
  514   1HG   LYS  64          2HG       LYS  64  10.885  -8.055  -5.443
  515   2HG   LYS  64          1HG       LYS  64  12.120  -6.887  -5.910
  516   1HD   LYS  64          2HD       LYS  64  13.117  -8.062  -4.123
  517   2HD   LYS  64          1HD       LYS  64  12.512  -6.588  -3.366
  518   1HE   LYS  64          2HE       LYS  64  11.653  -8.146  -1.890
  519   2HE   LYS  64          1HE       LYS  64  10.324  -8.080  -3.045
  520   1HZ   LYS  64          3HZ       LYS  64  11.366  -9.968  -4.217
  521   2HZ   LYS  64          2HZ       LYS  64  12.527 -10.071  -2.980
  522   3HZ   LYS  64          1HZ       LYS  64  10.887 -10.353  -2.636
  523    H    PHE  65           H        PHE  65   8.054  -4.397  -6.282
  524    HA   PHE  65           HA       PHE  65   7.298  -6.385  -8.227
  525   1HB   PHE  65          2HB       PHE  65   5.827  -5.042  -6.553
  526   2HB   PHE  65          1HB       PHE  65   5.842  -3.782  -7.780
  527    HD1  PHE  65           HD1      PHE  65   5.245  -4.557 -10.225
  528    HD2  PHE  65           HD2      PHE  65   4.216  -6.738  -6.674
  529    HE1  PHE  65           HE1      PHE  65   3.462  -5.741 -11.472
  530    HE2  PHE  65           HE2      PHE  65   2.433  -7.923  -7.923
  531    HZ   PHE  65           HZ       PHE  65   2.054  -7.426 -10.321
  532    H    LEU  66           H        LEU  66   7.809  -2.833  -8.504
  533    HA   LEU  66           HA       LEU  66   7.705  -3.031 -11.444
  534   1HB   LEU  66          2HB       LEU  66   7.916  -0.778  -9.463
  535   2HB   LEU  66          1HB       LEU  66   8.326  -0.495 -11.156
  536    HG   LEU  66           HG       LEU  66   5.750  -1.881 -10.452
  537   1HD1  LEU  66          1HD1      LEU  66   5.881   0.230  -9.111
  538   2HD1  LEU  66          3HD1      LEU  66   6.131   1.125 -10.611
  539   3HD1  LEU  66          2HD1      LEU  66   4.613   0.270 -10.336
  540   1HD2  LEU  66          1HD2      LEU  66   6.727  -0.131 -12.730
  541   2HD2  LEU  66          3HD2      LEU  66   6.386  -1.860 -12.792
  542   3HD2  LEU  66          2HD2      LEU  66   5.068  -0.709 -12.581
  543    H    LYS  67           H        LYS  67  10.109  -1.570  -9.207
  544    HA   LYS  67           HA       LYS  67  12.223  -1.773 -11.191
  545   1HB   LYS  67          2HB       LYS  67  12.034  -0.900  -8.333
  546   2HB   LYS  67          1HB       LYS  67  13.627  -1.282  -8.985
  547   1HG   LYS  67          2HG       LYS  67  11.759   0.514 -10.519
  548   2HG   LYS  67          1HG       LYS  67  12.732   1.167  -9.201
  549   1HD   LYS  67          2HD       LYS  67  14.689  -0.125 -10.441
  550   2HD   LYS  67          1HD       LYS  67  13.618   0.039 -11.833
  551   1HE   LYS  67          2HE       LYS  67  13.445   2.532 -11.151
  552   2HE   LYS  67          1HE       LYS  67  14.873   2.217 -10.165
  553   1HZ   LYS  67          2HZ       LYS  67  15.979   1.369 -12.175
  554   2HZ   LYS  67          1HZ       LYS  67  14.621   1.813 -13.097
  555   3HZ   LYS  67          3HZ       LYS  67  15.540   3.004 -12.315
  556    NH1  ARG  68           NH2      ARG  68  14.523  -5.966 -15.765
  557    NH2  ARG  68           NH1      ARG  68  14.620  -8.184 -15.303
  558    H    ARG  68           H        ARG  68  14.316  -2.953 -10.647
  559    HA   ARG  68           HA       ARG  68  13.659  -5.744  -9.930
  560   1HB   ARG  68          2HB       ARG  68  16.227  -4.503 -10.973
  561   2HB   ARG  68          1HB       ARG  68  15.948  -6.231 -10.757
  562   1HG   ARG  68          2HG       ARG  68  14.043  -4.602 -12.424
  563   2HG   ARG  68          1HG       ARG  68  15.562  -5.165 -13.120
  564   1HD   ARG  68          2HD       ARG  68  14.990  -7.484 -12.547
  565   2HD   ARG  68          1HD       ARG  68  13.491  -6.941 -11.794
  566    HE   ARG  68           HE       ARG  68  12.555  -6.659 -13.955
  567   1HH1  ARG  68          1HH2      ARG  68  14.220  -5.044 -15.525
  568   2HH1  ARG  68          2HH2      ARG  68  15.056  -6.114 -16.599
  569   1HH2  ARG  68          2HH1      ARG  68  14.391  -8.956 -14.710
  570   2HH2  ARG  68          1HH1      ARG  68  15.153  -8.337 -16.136
  571    H    ALA  69           H        ALA  69  15.443  -6.907  -8.579
  572    HA   ALA  69           HA       ALA  69  15.881  -5.284  -6.122
  573   1HB   ALA  69          1HB       ALA  69  16.052  -8.276  -6.597
  574   2HB   ALA  69          3HB       ALA  69  16.306  -7.485  -5.041
  575   3HB   ALA  69          2HB       ALA  69  14.722  -7.423  -5.815
  576    H    GLU  70           H        GLU  70  17.888  -4.474  -5.757
  577    HA   GLU  70           HA       GLU  70  20.278  -6.039  -6.469
  578   1HB   GLU  70          2HB       GLU  70  21.288  -4.186  -7.787
  579   2HB   GLU  70          1HB       GLU  70  19.860  -4.860  -8.571
  580   1HG   GLU  70          2HG       GLU  70  18.866  -2.835  -6.896
  581   2HG   GLU  70          1HG       GLU  70  20.323  -2.150  -7.617
  582    H    ASN  71           H        ASN  71  22.232  -5.141  -5.494
  583    HA   ASN  71           HA       ASN  71  21.607  -3.438  -3.129
  584   1HB   ASN  71          2HB       ASN  71  22.778  -5.807  -3.056
  585   2HB   ASN  71          1HB       ASN  71  24.216  -4.882  -3.487
  586   1HD2  ASN  71          2HD2      ASN  71  24.684  -3.949  -0.127
  587   2HD2  ASN  71          1HD2      ASN  71  25.376  -4.411  -1.606
  588    H    SER  72           H        SER  72  21.749  -1.362  -4.081
  589    HA   SER  72           HA       SER  72  24.250  -0.662  -5.521
  590   1HB   SER  72          2HB       SER  72  21.621   0.776  -5.108
  591   2HB   SER  72          1HB       SER  72  23.025   1.567  -5.818
  592    HG   SER  72           HG       SER  72  22.627   0.545  -7.605
  593   1HC   CH3  25          1H        LEU  25   1.069  -2.606 -10.913
  594   2HC   CH3  25          2H        LEU  25  -0.035  -3.645 -11.808
  595   3HC   CH3  25          3H        LEU  25  -0.525  -2.009 -11.372
   
  Start of MODEL           5
 Raw file had  595 H/Q atoms
  Start of MODEL    5
    1   1H    GLU   4          2H        GLU   4  -5.696  13.596  -7.056
    2   2H    GLU   4          1H        GLU   4  -5.954  12.621  -8.423
    3   3H    GLU   4          3H        GLU   4  -5.345  14.194  -8.606
    4    HA   GLU   4           HA       GLU   4  -7.392  15.163  -7.881
    5   1HB   GLU   4          2HB       GLU   4  -7.017  13.873 -10.269
    6   2HB   GLU   4          1HB       GLU   4  -8.508  13.119  -9.700
    7   1HG   GLU   4          2HG       GLU   4  -9.385  15.462  -9.243
    8   2HG   GLU   4          1HG       GLU   4  -7.976  16.071 -10.111
    9    H    LEU   5           H        LEU   5  -9.446  14.933  -6.896
   10    HA   LEU   5           HA       LEU   5 -11.114  13.960  -5.572
   11   1HB   LEU   5          2HB       LEU   5 -10.915  12.140  -7.461
   12   2HB   LEU   5          1HB       LEU   5 -10.102  11.202  -6.208
   13    HG   LEU   5           HG       LEU   5 -12.205  12.010  -4.767
   14   1HD1  LEU   5          1HD1      LEU   5 -13.111  12.093  -7.652
   15   2HD1  LEU   5          3HD1      LEU   5 -14.230  11.842  -6.312
   16   3HD1  LEU   5          2HD1      LEU   5 -13.304  13.340  -6.420
   17   1HD2  LEU   5          2HD2      LEU   5 -12.125   9.728  -6.762
   18   2HD2  LEU   5          1HD2      LEU   5 -11.635   9.682  -5.068
   19   3HD2  LEU   5          3HD2      LEU   5 -13.338   9.866  -5.489
   20    NH1  ARG   6           NH1      ARG   6 -10.578  18.048  -2.465
   21    NH2  ARG   6           NH2      ARG   6 -12.008  16.778  -3.684
   22    H    ARG   6           H        ARG   6 -11.296  13.107  -3.423
   23    HA   ARG   6           HA       ARG   6  -8.933  13.342  -1.822
   24   1HB   ARG   6          2HB       ARG   6 -11.775  12.643  -1.363
   25   2HB   ARG   6          1HB       ARG   6 -10.641  12.025  -0.168
   26   1HG   ARG   6          2HG       ARG   6 -11.093  14.120   0.725
   27   2HG   ARG   6          1HG       ARG   6  -9.679  14.488  -0.262
   28   1HD   ARG   6          2HD       ARG   6 -12.353  14.654  -1.582
   29   2HD   ARG   6          1HD       ARG   6 -11.930  15.928  -0.438
   30    HE   ARG   6           HE       ARG   6  -9.791  15.430  -2.340
   31   1HH1  ARG   6          2HH1      ARG   6  -9.874  18.124  -1.758
   32   2HH1  ARG   6          1HH1      ARG   6 -10.894  18.867  -2.944
   33   1HH2  ARG   6          1HH2      ARG   6 -12.394  15.883  -3.908
   34   2HH2  ARG   6          2HH2      ARG   6 -12.327  17.595  -4.164
   35    H    CYS   7           H        CYS   7  -8.719  11.368  -0.062
   36    HA   CYS   7           HA       CYS   7  -7.346   9.270  -1.472
   37   1HB   CYS   7          2HB       CYS   7  -8.251   9.008   1.390
   38   2HB   CYS   7          1HB       CYS   7  -6.763   8.441   0.642
   39    H    GLN   8           H        GLN   8  -8.380   7.735  -2.613
   40    HA   GLN   8           HA       GLN   8 -11.134   7.029  -2.291
   41   1HB   GLN   8          2HB       GLN   8  -8.800   5.907  -3.789
   42   2HB   GLN   8          1HB       GLN   8 -10.226   4.890  -3.598
   43   1HG   GLN   8          2HG       GLN   8 -11.349   6.065  -5.156
   44   2HG   GLN   8          1HG       GLN   8 -11.009   7.581  -4.323
   45   1HE2  GLN   8          2HE2      GLN   8  -9.056   6.799  -7.720
   46   2HE2  GLN   8          1HE2      GLN   8 -10.451   5.968  -7.222
   47    H    CYS   9           H        CYS   9  -8.189   5.826  -0.791
   48    HA   CYS   9           HA       CYS   9  -9.828   3.769   0.641
   49   1HB   CYS   9          2HB       CYS   9  -7.093   3.721  -0.452
   50   2HB   CYS   9          1HB       CYS   9  -7.213   3.113   1.195
   51    H    ILE  10           H        ILE  10 -10.553   4.960   2.385
   52    HA   ILE  10           HA       ILE  10  -8.941   6.858   3.845
   53    HB   ILE  10           HB       ILE  10 -11.412   5.307   4.703
   54   1HG1  ILE  10          2HG1      ILE  10 -11.908   6.729   2.801
   55   2HG1  ILE  10          1HG1      ILE  10 -12.541   7.518   4.243
   56   1HG2  ILE  10          3HG2      ILE  10  -9.869   7.564   5.982
   57   2HG2  ILE  10          2HG2      ILE  10 -11.586   7.330   6.312
   58   3HG2  ILE  10          1HG2      ILE  10 -10.429   6.060   6.715
   59   1HD1  ILE  10          1HD1      ILE  10 -10.194   8.700   4.295
   60   2HD1  ILE  10          3HD1      ILE  10 -10.137   8.247   2.592
   61   3HD1  ILE  10          2HD1      ILE  10 -11.434   9.284   3.185
   62    H    LYS  11           H        LYS  11  -9.409   3.383   4.019
   63    HA   LYS  11           HA       LYS  11  -7.459   3.266   6.287
   64   1HB   LYS  11          2HB       LYS  11  -9.641   1.295   5.520
   65   2HB   LYS  11          1HB       LYS  11  -8.471   1.053   6.817
   66   1HG   LYS  11          2HG       LYS  11 -10.019   3.602   6.854
   67   2HG   LYS  11          1HG       LYS  11 -10.896   2.128   7.260
   68   1HD   LYS  11          2HD       LYS  11  -8.260   2.312   8.548
   69   2HD   LYS  11          1HD       LYS  11  -9.369   3.596   9.027
   70   1HE   LYS  11          2HE       LYS  11 -10.555   2.168  10.301
   71   2HE   LYS  11          1HE       LYS  11 -10.774   1.073   8.936
   72   1HZ   LYS  11          3HZ       LYS  11  -8.523   0.207   9.382
   73   2HZ   LYS  11          2HZ       LYS  11  -8.444   1.179  10.773
   74   3HZ   LYS  11          1HZ       LYS  11  -9.602  -0.060  10.665
   75    H    THR  12           H        THR  12  -5.493   2.749   5.417
   76    HA   THR  12           HA       THR  12  -5.388   1.214   2.905
   77    HB   THR  12           HB       THR  12  -2.774   1.575   3.633
   78    HG1  THR  12           HG1      THR  12  -2.698   3.720   4.424
   79   1HG2  THR  12          2HG2      THR  12  -4.618   3.465   2.164
   80   2HG2  THR  12          1HG2      THR  12  -2.858   3.471   2.047
   81   3HG2  THR  12          3HG2      THR  12  -3.775   2.079   1.471
   82    OH   TYR  13           OH       TYR  13  -3.245  -8.371   4.322
   83    H    TYR  13           H        TYR  13  -3.162  -0.254   3.029
   84    HA   TYR  13           HA       TYR  13  -3.950  -2.421   4.876
   85   1HB   TYR  13          2HB       TYR  13  -3.524  -2.600   2.295
   86   2HB   TYR  13          1HB       TYR  13  -1.828  -2.635   2.762
   87    HD1  TYR  13           HD1      TYR  13  -4.474  -4.017   4.922
   88    HD2  TYR  13           HD2      TYR  13  -1.465  -4.875   1.984
   89    HE1  TYR  13           HE1      TYR  13  -4.644  -6.438   5.465
   90    HE2  TYR  13           HE2      TYR  13  -1.628  -7.301   2.524
   91    HH   TYR  13           HH       TYR  13  -2.729  -8.542   5.113
   92    H    SER  14           H        SER  14  -2.820  -2.782   6.698
   93    HA   SER  14           HA       SER  14  -0.123  -1.557   6.997
   94   1HB   SER  14          2HB       SER  14  -0.456  -2.112   9.435
   95   2HB   SER  14          1HB       SER  14  -1.645  -0.985   8.791
   96    HG   SER  14           HG       SER  14  -2.337  -2.956  10.082
   97    H    LYS  15           H        LYS  15  -1.805  -4.658   6.963
   98    HA   LYS  15           HA       LYS  15   0.513  -6.180   7.851
   99   1HB   LYS  15          2HB       LYS  15  -1.462  -7.621   6.224
  100   2HB   LYS  15          1HB       LYS  15  -0.843  -8.000   7.811
  101   1HG   LYS  15          2HG       LYS  15  -2.307  -6.098   8.696
  102   2HG   LYS  15          1HG       LYS  15  -3.091  -6.109   7.116
  103   1HD   LYS  15          2HD       LYS  15  -3.414  -8.640   7.494
  104   2HD   LYS  15          1HD       LYS  15  -3.015  -8.310   9.180
  105   1HE   LYS  15          2HE       LYS  15  -4.825  -6.501   9.103
  106   2HE   LYS  15          1HE       LYS  15  -5.328  -7.214   7.571
  107   1HZ   LYS  15          1HZ       LYS  15  -5.133  -8.658  10.160
  108   2HZ   LYS  15          3HZ       LYS  15  -6.571  -8.119   9.441
  109   3HZ   LYS  15          2HZ       LYS  15  -5.645  -9.325   8.683
  110    HA   PRO  16           HA       PRO  16   2.441  -6.168   3.879
  111   1HB   PRO  16          2HB       PRO  16   4.482  -7.857   4.550
  112   2HB   PRO  16          1HB       PRO  16   4.411  -6.172   5.044
  113   1HG   PRO  16          2HG       PRO  16   3.999  -8.608   6.684
  114   2HG   PRO  16          1HG       PRO  16   4.442  -6.974   7.203
  115   1HD   PRO  16          2HD       PRO  16   1.842  -8.185   7.333
  116   2HD   PRO  16          1HD       PRO  16   2.260  -6.511   7.737
  117    H    PHE  17           H        PHE  17   2.912  -7.628   2.108
  118    HA   PHE  17           HA       PHE  17   2.309 -10.470   2.337
  119   1HB   PHE  17          2HB       PHE  17   0.339 -10.573   0.988
  120   2HB   PHE  17          1HB       PHE  17   0.023  -9.368   2.228
  121    HD1  PHE  17           HD2      PHE  17   0.546  -6.868   1.571
  122    HD2  PHE  17           HD1      PHE  17  -0.005 -10.057  -1.258
  123    HE1  PHE  17           HE2      PHE  17   0.028  -5.213  -0.204
  124    HE2  PHE  17           HE1      PHE  17  -0.527  -8.400  -3.024
  125    HZ   PHE  17           HZ       PHE  17  -0.511  -5.979  -2.497
  126    H    HIS  18           H        HIS  18   2.732 -11.629   0.303
  127    HA   HIS  18           HA       HIS  18   4.999 -10.578  -1.093
  128   1HB   HIS  18          2HB       HIS  18   4.886 -12.911  -0.827
  129   2HB   HIS  18          1HB       HIS  18   3.246 -12.983  -1.456
  130    HD1  HIS  18           HD1      HIS  18   6.827 -12.796  -2.555
  131    HD2  HIS  18           HD2      HIS  18   3.038 -12.760  -4.215
  132    HE1  HIS  18           HE1      HIS  18   7.130 -13.110  -5.060
  133    HA   PRO  19           HA       PRO  19   3.085  -8.055  -4.114
  134   1HB   PRO  19          2HB       PRO  19   5.248  -7.747  -5.764
  135   2HB   PRO  19          1HB       PRO  19   5.056  -6.926  -4.206
  136   1HG   PRO  19          2HG       PRO  19   6.796  -9.249  -4.904
  137   2HG   PRO  19          1HG       PRO  19   7.029  -8.004  -3.665
  138   1HD   PRO  19          2HD       PRO  19   6.114 -10.624  -3.197
  139   2HD   PRO  19          1HD       PRO  19   5.985  -9.269  -2.061
  140    H    LYS  20           H        LYS  20   4.972 -10.766  -5.571
  141    HA   LYS  20           HA       LYS  20   3.928 -10.547  -8.163
  142   1HB   LYS  20          2HB       LYS  20   5.677 -12.242  -7.119
  143   2HB   LYS  20          1HB       LYS  20   4.271 -13.294  -7.175
  144   1HG   LYS  20          2HG       LYS  20   3.965 -12.534  -9.596
  145   2HG   LYS  20          1HG       LYS  20   5.584 -11.846  -9.470
  146   1HD   LYS  20          2HD       LYS  20   6.371 -13.884 -10.034
  147   2HD   LYS  20          1HD       LYS  20   5.866 -14.422  -8.432
  148   1HE   LYS  20          2HE       LYS  20   3.873 -15.349  -9.223
  149   2HE   LYS  20          1HE       LYS  20   3.849 -14.325 -10.658
  150   1HZ   LYS  20          3HZ       LYS  20   5.738 -15.556 -11.526
  151   2HZ   LYS  20          2HZ       LYS  20   5.759 -16.543 -10.143
  152   3HZ   LYS  20          1HZ       LYS  20   4.438 -16.597 -11.210
  153    H    PHE  21           H        PHE  21   2.219 -11.589  -5.318
  154    HA   PHE  21           HA       PHE  21   0.134 -13.125  -6.526
  155   1HB   PHE  21          2HB       PHE  21   0.048 -11.304  -4.143
  156   2HB   PHE  21          1HB       PHE  21  -1.204 -12.448  -4.557
  157    HD1  PHE  21           HD2      PHE  21   1.080 -14.508  -5.574
  158    HD2  PHE  21           HD1      PHE  21   0.267 -12.386  -1.927
  159    HE1  PHE  21           HE2      PHE  21   2.279 -16.251  -4.284
  160    HE2  PHE  21           HE1      PHE  21   1.460 -14.132  -0.641
  161    HZ   PHE  21           HZ       PHE  21   2.466 -16.070  -1.821
  162    H    ILE  22           H        ILE  22   0.663  -9.683  -6.050
  163    HA   ILE  22           HA       ILE  22  -1.879  -8.691  -6.887
  164    HB   ILE  22           HB       ILE  22   0.863  -7.410  -7.142
  165   1HG1  ILE  22          2HG1      ILE  22  -1.062  -6.735  -4.959
  166   2HG1  ILE  22          1HG1      ILE  22  -0.186  -8.258  -4.823
  167   1HG2  ILE  22          1HG2      ILE  22  -1.947  -6.401  -7.412
  168   2HG2  ILE  22          3HG2      ILE  22  -0.686  -5.321  -6.819
  169   3HG2  ILE  22          2HG2      ILE  22  -0.542  -6.053  -8.417
  170   1HD1  ILE  22          2HD1      ILE  22   1.817  -6.537  -5.579
  171   2HD1  ILE  22          1HD1      ILE  22   0.807  -5.496  -4.575
  172   3HD1  ILE  22          3HD1      ILE  22   1.464  -6.991  -3.912
  173    H    LYS  23           H        LYS  23  -2.796  -8.861  -8.844
  174    HA   LYS  23           HA       LYS  23  -1.220  -9.615 -11.203
  175   1HB   LYS  23          2HB       LYS  23  -3.978  -9.745 -10.404
  176   2HB   LYS  23          1HB       LYS  23  -3.877  -8.859 -11.927
  177   1HG   LYS  23          2HG       LYS  23  -2.730 -10.668 -13.005
  178   2HG   LYS  23          1HG       LYS  23  -2.472 -11.503 -11.473
  179   1HD   LYS  23          2HD       LYS  23  -4.883 -11.858 -11.225
  180   2HD   LYS  23          1HD       LYS  23  -5.187 -10.959 -12.711
  181   1HE   LYS  23          2HE       LYS  23  -5.191 -13.115 -13.554
  182   2HE   LYS  23          1HE       LYS  23  -3.478 -12.732 -13.722
  183   1HZ   LYS  23          3HZ       LYS  23  -4.703 -14.137 -11.407
  184   2HZ   LYS  23          2HZ       LYS  23  -3.832 -14.884 -12.660
  185   3HZ   LYS  23          1HZ       LYS  23  -3.052 -13.801 -11.608
  186    H    GLU  24           H        GLU  24  -2.579  -6.704  -9.793
  187    HA   GLU  24           HA       GLU  24  -1.277  -5.100 -11.922
  188   1HB   GLU  24          2HB       GLU  24  -4.223  -5.008 -11.241
  189   2HB   GLU  24          1HB       GLU  24  -3.396  -3.632 -11.971
  190   1HG   GLU  24          2HG       GLU  24  -2.540  -5.407 -13.706
  191   2HG   GLU  24          1HG       GLU  24  -3.909  -6.359 -13.131
  192    HA   LEU  25           HA       LEU  25  -0.943  -2.876  -8.023
  193   1HB   LEU  25          2HB       LEU  25   1.010  -4.206  -7.629
  194   2HB   LEU  25          1HB       LEU  25   1.882  -3.438  -8.955
  195    HG   LEU  25           HG       LEU  25   0.895  -1.514  -6.967
  196   1HD1  LEU  25          3HD1      LEU  25   1.686  -3.818  -5.789
  197   2HD1  LEU  25          2HD1      LEU  25   3.246  -3.014  -5.966
  198   3HD1  LEU  25          1HD1      LEU  25   1.943  -2.227  -5.075
  199   1HD2  LEU  25          2HD2      LEU  25   3.071  -1.886  -8.822
  200   2HD2  LEU  25          1HD2      LEU  25   2.568  -0.411  -7.996
  201   3HD2  LEU  25          3HD2      LEU  25   3.724  -1.500  -7.230
  202    NH1  ARG  26           NH1      ARG  26  -2.337   2.555 -15.884
  203    NH2  ARG  26           NH2      ARG  26  -3.594   4.101 -14.799
  204    H    ARG  26           H        ARG  26  -1.748  -0.821  -8.425
  205    HA   ARG  26           HA       ARG  26   0.083   1.006  -9.894
  206   1HB   ARG  26          2HB       ARG  26  -2.599   0.328 -10.506
  207   2HB   ARG  26          1HB       ARG  26  -2.568   2.012 -10.000
  208   1HG   ARG  26          2HG       ARG  26  -0.679   2.402 -11.598
  209   2HG   ARG  26          1HG       ARG  26  -0.880   0.747 -12.172
  210   1HD   ARG  26          2HD       ARG  26  -2.937   1.194 -13.163
  211   2HD   ARG  26          1HD       ARG  26  -3.272   2.555 -12.094
  212    HE   ARG  26           HE       ARG  26  -1.102   3.439 -13.540
  213   1HH1  ARG  26          2HH1      ARG  26  -1.601   1.878 -15.877
  214   2HH1  ARG  26          1HH1      ARG  26  -2.850   2.726 -16.726
  215   1HH2  ARG  26          1HH2      ARG  26  -3.818   4.604 -13.963
  216   2HH2  ARG  26          2HH2      ARG  26  -4.108   4.275 -15.639
  217    H    VAL  27           H        VAL  27   0.741   2.755  -8.689
  218    HA   VAL  27           HA       VAL  27  -0.699   3.306  -6.146
  219    HB   VAL  27           HB       VAL  27   1.395   4.538  -5.547
  220   1HG1  VAL  27          3HG1      VAL  27   0.942   2.054  -5.093
  221   2HG1  VAL  27          2HG1      VAL  27   2.039   1.728  -6.434
  222   3HG1  VAL  27          1HG1      VAL  27   2.622   2.579  -5.003
  223   1HG2  VAL  27          2HG2      VAL  27   2.006   4.883  -8.036
  224   2HG2  VAL  27          1HG2      VAL  27   3.319   4.492  -6.926
  225   3HG2  VAL  27          3HG2      VAL  27   2.642   3.240  -7.967
  226    H    ILE  28           H        ILE  28  -1.280   5.496  -5.612
  227    HA   ILE  28           HA       ILE  28  -1.597   7.246  -8.014
  228    HB   ILE  28           HB       ILE  28  -3.006   7.359  -5.322
  229   1HG1  ILE  28          2HG1      ILE  28  -4.082   6.482  -8.022
  230   2HG1  ILE  28          1HG1      ILE  28  -3.536   5.357  -6.777
  231   1HG2  ILE  28          1HG2      ILE  28  -3.333   8.918  -7.901
  232   2HG2  ILE  28          3HG2      ILE  28  -4.568   8.877  -6.642
  233   3HG2  ILE  28          2HG2      ILE  28  -2.979   9.557  -6.296
  234   1HD1  ILE  28          3HD1      ILE  28  -5.670   7.457  -6.307
  235   2HD1  ILE  28          2HD1      ILE  28  -6.028   5.794  -6.770
  236   3HD1  ILE  28          1HD1      ILE  28  -5.224   6.129  -5.235
  237    H    GLU  29           H        GLU  29  -1.001   9.478  -7.877
  238    HA   GLU  29           HA       GLU  29   1.336  10.014  -6.252
  239   1HB   GLU  29          2HB       GLU  29  -0.353  11.797  -8.030
  240   2HB   GLU  29          1HB       GLU  29   1.158  12.293  -7.279
  241   1HG   GLU  29          2HG       GLU  29   1.978   9.988  -8.425
  242   2HG   GLU  29          1HG       GLU  29   0.701  10.439  -9.555
  243    H    SER  30           H        SER  30   1.386  12.198  -4.986
  244    HA   SER  30           HA       SER  30  -0.999  12.251  -3.191
  245   1HB   SER  30          2HB       SER  30   0.826  13.570  -1.751
  246   2HB   SER  30          1HB       SER  30   0.734  11.814  -1.741
  247    HG   SER  30           HG       SER  30   2.551  11.718  -2.829
  248    H    GLY  31           H        GLY  31  -1.567  14.403  -2.289
  249   1HA   GLY  31          2HA       GLY  31  -0.630  16.851  -3.483
  250   2HA   GLY  31          1HA       GLY  31  -2.127  16.335  -4.251
  251    HA   PRO  32           HA       PRO  32  -3.444  18.672  -0.515
  252   1HB   PRO  32          2HB       PRO  32  -5.462  20.009  -1.832
  253   2HB   PRO  32          1HB       PRO  32  -3.798  20.611  -1.723
  254   1HG   PRO  32          2HG       PRO  32  -5.192  19.343  -4.044
  255   2HG   PRO  32          1HG       PRO  32  -3.879  20.532  -4.037
  256   1HD   PRO  32          2HD       PRO  32  -3.562  17.782  -4.516
  257   2HD   PRO  32          1HD       PRO  32  -2.258  18.901  -4.067
  258    H    HIS  33           H        HIS  33  -5.250  17.051  -3.069
  259    HA   HIS  33           HA       HIS  33  -7.673  16.460  -1.713
  260   1HB   HIS  33          2HB       HIS  33  -7.876  14.610  -3.381
  261   2HB   HIS  33          1HB       HIS  33  -7.418  16.134  -4.136
  262    HD1  HIS  33           HD1      HIS  33  -4.881  16.381  -4.877
  263    HD2  HIS  33           HD2      HIS  33  -5.928  12.564  -3.571
  264    HE1  HIS  33           HE1      HIS  33  -2.937  14.873  -5.461
  265    H    CYS  34           H        CYS  34  -4.529  14.841  -1.696
  266    HA   CYS  34           HA       CYS  34  -5.309  13.340   0.692
  267   1HB   CYS  34          2HB       CYS  34  -5.695  11.945  -1.479
  268   2HB   CYS  34          1HB       CYS  34  -3.936  11.861  -1.546
  269    H    ALA  35           H        ALA  35  -3.775  14.187   2.037
  270    HA   ALA  35           HA       ALA  35  -1.267  15.240   1.308
  271   1HB   ALA  35          2HB       ALA  35  -2.145  14.007   3.929
  272   2HB   ALA  35          1HB       ALA  35  -0.656  14.929   3.722
  273   3HB   ALA  35          3HB       ALA  35  -2.219  15.711   3.483
  274    H    ASN  36           H        ASN  36  -1.847  12.016   2.762
  275    HA   ASN  36           HA       ASN  36   0.897  11.191   2.160
  276   1HB   ASN  36          2HB       ASN  36  -1.473   9.961   3.513
  277   2HB   ASN  36          1HB       ASN  36  -0.211   8.891   2.906
  278   1HD2  ASN  36          2HD2      ASN  36   0.674  11.459   5.992
  279   2HD2  ASN  36          1HD2      ASN  36  -0.676  11.773   5.013
  280    H    THR  37           H        THR  37   1.437   9.393   0.766
  281    HA   THR  37           HA       THR  37   0.031   9.429  -1.774
  282    HB   THR  37           HB       THR  37   2.053   7.326  -1.001
  283    HG1  THR  37           HG1      THR  37   3.448   8.822  -0.622
  284   1HG2  THR  37          2HG2      THR  37   1.347   8.846  -3.517
  285   2HG2  THR  37          1HG2      THR  37   2.791   7.842  -3.378
  286   3HG2  THR  37          3HG2      THR  37   1.191   7.114  -3.224
  287    H    GLU  38           H        GLU  38  -1.109   7.603  -2.746
  288    HA   GLU  38           HA       GLU  38  -2.120   5.634  -0.730
  289   1HB   GLU  38          2HB       GLU  38  -3.516   7.316  -2.764
  290   2HB   GLU  38          1HB       GLU  38  -4.127   5.686  -2.507
  291   1HG   GLU  38          2HG       GLU  38  -3.722   7.783  -0.351
  292   2HG   GLU  38          1HG       GLU  38  -5.275   7.290  -1.027
  293    H    ILE  39           H        ILE  39  -1.257   3.648  -1.233
  294    HA   ILE  39           HA       ILE  39  -0.543   3.055  -4.043
  295    HB   ILE  39           HB       ILE  39  -0.187   1.588  -1.414
  296   1HG1  ILE  39          2HG1      ILE  39   2.206   1.903  -2.925
  297   2HG1  ILE  39          1HG1      ILE  39   1.359   3.449  -2.970
  298   1HG2  ILE  39          1HG2      ILE  39   0.290   0.617  -4.235
  299   2HG2  ILE  39          3HG2      ILE  39   1.200  -0.027  -2.869
  300   3HG2  ILE  39          2HG2      ILE  39  -0.553  -0.207  -2.923
  301   1HD1  ILE  39          2HD1      ILE  39   1.400   2.125  -0.323
  302   2HD1  ILE  39          1HD1      ILE  39   2.972   2.661  -0.916
  303   3HD1  ILE  39          3HD1      ILE  39   1.653   3.819  -0.740
  304    H    ILE  40           H        ILE  40  -1.439   1.114  -5.129
  305    HA   ILE  40           HA       ILE  40  -3.918  -0.009  -3.964
  306    HB   ILE  40           HB       ILE  40  -3.948   1.224  -6.735
  307   1HG1  ILE  40          2HG1      ILE  40  -5.325   2.251  -4.233
  308   2HG1  ILE  40          1HG1      ILE  40  -3.814   2.915  -4.851
  309   1HG2  ILE  40          3HG2      ILE  40  -5.436  -0.748  -6.286
  310   2HG2  ILE  40          2HG2      ILE  40  -6.185   0.165  -4.977
  311   3HG2  ILE  40          1HG2      ILE  40  -6.332   0.729  -6.641
  312   1HD1  ILE  40          2HD1      ILE  40  -6.257   2.674  -6.607
  313   2HD1  ILE  40          1HD1      ILE  40  -5.996   4.083  -5.579
  314   3HD1  ILE  40          3HD1      ILE  40  -4.833   3.688  -6.843
  315    H    VAL  41           H        VAL  41  -4.111  -2.129  -4.511
  316    HA   VAL  41           HA       VAL  41  -2.591  -3.155  -6.835
  317    HB   VAL  41           HB       VAL  41  -1.908  -5.079  -5.434
  318   1HG1  VAL  41          3HG1      VAL  41  -0.427  -3.099  -5.803
  319   2HG1  VAL  41          2HG1      VAL  41  -1.016  -2.434  -4.281
  320   3HG1  VAL  41          1HG1      VAL  41  -0.099  -3.939  -4.288
  321   1HG2  VAL  41          1HG2      VAL  41  -3.827  -4.355  -3.694
  322   2HG2  VAL  41          3HG2      VAL  41  -2.425  -5.309  -3.211
  323   3HG2  VAL  41          2HG2      VAL  41  -2.443  -3.567  -2.936
  324    H    LYS  42           H        LYS  42  -3.381  -5.370  -7.443
  325    HA   LYS  42           HA       LYS  42  -6.186  -5.874  -6.569
  326   1HB   LYS  42          2HB       LYS  42  -5.283  -5.067  -9.193
  327   2HB   LYS  42          1HB       LYS  42  -5.960  -6.693  -9.278
  328   1HG   LYS  42          2HG       LYS  42  -7.873  -5.658  -7.789
  329   2HG   LYS  42          1HG       LYS  42  -7.289  -4.131  -8.452
  330   1HD   LYS  42          2HD       LYS  42  -7.424  -5.379 -10.752
  331   2HD   LYS  42          1HD       LYS  42  -8.508  -6.473  -9.893
  332   1HE   LYS  42          2HE       LYS  42 -10.025  -4.898 -10.685
  333   2HE   LYS  42          1HE       LYS  42  -9.650  -4.227  -9.098
  334   1HZ   LYS  42          2HZ       LYS  42  -8.326  -3.456 -11.645
  335   2HZ   LYS  42          1HZ       LYS  42  -9.523  -2.552 -10.847
  336   3HZ   LYS  42          3HZ       LYS  42  -8.011  -2.788 -10.114
  337    H    LEU  43           H        LEU  43  -5.663  -7.673  -5.329
  338    HA   LEU  43           HA       LEU  43  -3.757  -9.663  -5.876
  339   1HB   LEU  43          2HB       LEU  43  -6.368  -9.725  -4.380
  340   2HB   LEU  43          1HB       LEU  43  -5.334 -11.135  -4.478
  341    HG   LEU  43           HG       LEU  43  -4.347  -8.435  -3.529
  342   1HD1  LEU  43          3HD1      LEU  43  -5.474 -10.775  -1.975
  343   2HD1  LEU  43          2HD1      LEU  43  -4.437  -9.553  -1.238
  344   3HD1  LEU  43          1HD1      LEU  43  -5.994  -9.090  -1.923
  345   1HD2  LEU  43          2HD2      LEU  43  -3.043 -10.842  -4.267
  346   2HD2  LEU  43          1HD2      LEU  43  -2.327  -9.439  -3.475
  347   3HD2  LEU  43          3HD2      LEU  43  -2.972 -10.763  -2.507
  348    H    SER  44           H        SER  44  -3.814 -11.613  -6.947
  349    HA   SER  44           HA       SER  44  -5.272 -11.859  -9.343
  350   1HB   SER  44          2HB       SER  44  -4.447 -14.209  -9.369
  351   2HB   SER  44          1HB       SER  44  -3.177 -13.050  -8.990
  352    HG   SER  44           HG       SER  44  -2.959 -14.505  -7.414
  353    H    ASP  45           H        ASP  45  -6.159 -12.820  -6.093
  354    HA   ASP  45           HA       ASP  45  -8.196 -14.705  -6.834
  355   1HB   ASP  45          2HB       ASP  45  -7.863 -13.087  -4.295
  356   2HB   ASP  45          1HB       ASP  45  -8.950 -14.461  -4.490
  357    H    GLY  46           H        GLY  46  -8.067 -11.399  -7.365
  358   1HA   GLY  46          2HA       GLY  46  -9.829 -10.129  -8.371
  359   2HA   GLY  46          1HA       GLY  46 -11.001 -11.258  -7.689
  360    NH1  ARG  47           NH1      ARG  47  -9.529  -9.016   1.648
  361    NH2  ARG  47           NH2      ARG  47 -11.193 -10.540   1.419
  362    H    ARG  47           H        ARG  47  -8.356  -9.772  -5.863
  363    HA   ARG  47           HA       ARG  47 -10.429  -8.414  -4.178
  364   1HB   ARG  47          2HB       ARG  47  -8.818 -10.261  -3.268
  365   2HB   ARG  47          1HB       ARG  47  -7.604  -8.987  -3.314
  366   1HG   ARG  47          2HG       ARG  47  -8.414  -8.679  -1.168
  367   2HG   ARG  47          1HG       ARG  47  -9.504  -7.613  -2.049
  368   1HD   ARG  47          2HD       ARG  47 -11.173  -9.421  -2.193
  369   2HD   ARG  47          1HD       ARG  47 -10.082 -10.499  -1.321
  370    HE   ARG  47           HE       ARG  47 -11.501  -8.164  -0.146
  371   1HH1  ARG  47          2HH1      ARG  47  -9.031  -8.220   1.306
  372   2HH1  ARG  47          1HH1      ARG  47  -9.254  -9.444   2.511
  373   1HH2  ARG  47          1HH2      ARG  47 -11.964 -10.908   0.899
  374   2HH2  ARG  47          2HH2      ARG  47 -10.920 -10.971   2.279
  375    H    GLU  48           H        GLU  48  -9.811  -6.300  -3.282
  376    HA   GLU  48           HA       GLU  48  -7.720  -4.866  -4.861
  377   1HB   GLU  48          2HB       GLU  48 -10.607  -4.314  -4.650
  378   2HB   GLU  48          1HB       GLU  48  -9.594  -2.921  -4.275
  379   1HG   GLU  48          2HG       GLU  48  -8.340  -3.323  -6.409
  380   2HG   GLU  48          1HG       GLU  48  -9.491  -4.602  -6.797
  381    H    LEU  49           H        LEU  49  -6.190  -4.306  -3.383
  382    HA   LEU  49           HA       LEU  49  -7.130  -3.326  -0.707
  383   1HB   LEU  49          2HB       LEU  49  -5.366  -5.553  -1.348
  384   2HB   LEU  49          1HB       LEU  49  -4.554  -4.349  -0.348
  385    HG   LEU  49           HG       LEU  49  -6.754  -4.421   1.072
  386   1HD1  LEU  49          2HD1      LEU  49  -7.702  -6.028  -0.806
  387   2HD1  LEU  49          1HD1      LEU  49  -6.837  -7.261   0.111
  388   3HD1  LEU  49          3HD1      LEU  49  -8.100  -6.308   0.889
  389   1HD2  LEU  49          1HD2      LEU  49  -4.391  -5.261   1.633
  390   2HD2  LEU  49          3HD2      LEU  49  -5.719  -6.019   2.511
  391   3HD2  LEU  49          2HD2      LEU  49  -4.963  -6.859   1.157
  392    H    CYS  50           H        CYS  50  -6.448  -1.265  -0.353
  393    HA   CYS  50           HA       CYS  50  -4.300  -0.138  -2.015
  394   1HB   CYS  50          2HB       CYS  50  -5.651   1.273   0.218
  395   2HB   CYS  50          1HB       CYS  50  -4.928   1.959  -1.207
  396    H    LEU  51           H        LEU  51  -2.265   0.306  -1.203
  397    HA   LEU  51           HA       LEU  51  -1.667  -0.861   1.429
  398   1HB   LEU  51          2HB       LEU  51   0.217   0.009  -0.751
  399   2HB   LEU  51          1HB       LEU  51   0.643  -0.876   0.692
  400    HG   LEU  51           HG       LEU  51  -0.789  -1.839  -1.750
  401   1HD1  LEU  51          2HD1      LEU  51   1.651  -2.277  -1.156
  402   2HD1  LEU  51          1HD1      LEU  51   1.052  -3.277   0.167
  403   3HD1  LEU  51          3HD1      LEU  51   0.679  -3.708  -1.502
  404   1HD2  LEU  51          2HD2      LEU  51  -1.315  -2.771   1.077
  405   2HD2  LEU  51          1HD2      LEU  51  -2.485  -2.423  -0.194
  406   3HD2  LEU  51          3HD2      LEU  51  -1.483  -3.869  -0.291
  407    H    ASP  52           H        ASP  52  -0.267   0.166   2.866
  408    HA   ASP  52           HA       ASP  52  -0.514   3.129   2.883
  409   1HB   ASP  52          2HB       ASP  52  -1.434   1.714   4.795
  410   2HB   ASP  52          1HB       ASP  52   0.231   1.290   5.177
  411    HA   PRO  53           HA       PRO  53   3.835   2.942   1.840
  412   1HB   PRO  53          2HB       PRO  53   4.122   5.673   1.593
  413   2HB   PRO  53          1HB       PRO  53   3.486   4.617   0.322
  414   1HG   PRO  53          2HG       PRO  53   2.005   6.463   2.151
  415   2HG   PRO  53          1HG       PRO  53   1.608   5.962   0.498
  416   1HD   PRO  53          2HD       PRO  53   0.400   4.944   2.807
  417   2HD   PRO  53          1HD       PRO  53   0.393   4.146   1.219
  418    H    LYS  54           H        LYS  54   2.385   4.076   4.686
  419    HA   LYS  54           HA       LYS  54   4.568   5.427   5.918
  420   1HB   LYS  54          2HB       LYS  54   1.936   4.733   6.626
  421   2HB   LYS  54          1HB       LYS  54   2.968   3.962   7.829
  422   1HG   LYS  54          2HG       LYS  54   4.057   6.081   8.322
  423   2HG   LYS  54          1HG       LYS  54   3.165   6.879   7.025
  424   1HD   LYS  54          2HD       LYS  54   1.209   6.954   8.228
  425   2HD   LYS  54          1HD       LYS  54   1.550   5.446   9.077
  426   1HE   LYS  54          2HE       LYS  54   3.517   7.452   9.775
  427   2HE   LYS  54          1HE       LYS  54   1.890   8.063  10.070
  428   1HZ   LYS  54          1HZ       LYS  54   2.867   5.419  11.004
  429   2HZ   LYS  54          3HZ       LYS  54   2.862   6.819  11.960
  430   3HZ   LYS  54          2HZ       LYS  54   1.395   6.169  11.405
  431    H    GLU  55           H        GLU  55   3.824   2.002   5.449
  432    HA   GLU  55           HA       GLU  55   5.821   1.130   7.404
  433   1HB   GLU  55          2HB       GLU  55   4.164  -0.303   5.323
  434   2HB   GLU  55          1HB       GLU  55   5.380  -1.120   6.285
  435   1HG   GLU  55          2HG       GLU  55   3.468  -1.467   7.561
  436   2HG   GLU  55          1HG       GLU  55   4.141  -0.030   8.313
  437    H    ASN  56           H        ASN  56   7.557  -0.391   6.576
  438    HA   ASN  56           HA       ASN  56   8.962   0.903   4.317
  439   1HB   ASN  56          2HB       ASN  56   9.768  -0.310   6.764
  440   2HB   ASN  56          1HB       ASN  56  10.518  -1.170   5.429
  441   1HD2  ASN  56          2HD2      ASN  56  11.777   2.570   6.346
  442   2HD2  ASN  56          1HD2      ASN  56  10.569   1.796   7.254
  443    CH2  TRP  57           CH2      TRP  57   1.577  -4.298   2.412
  444    H    TRP  57           H        TRP  57   7.136  -1.930   5.022
  445    HA   TRP  57           HA       TRP  57   8.362  -3.537   2.947
  446   1HB   TRP  57          2HB       TRP  57   6.822  -5.232   3.564
  447   2HB   TRP  57          1HB       TRP  57   7.293  -4.458   5.048
  448    HD1  TRP  57           HD1      TRP  57   5.480  -3.385   6.443
  449    HE1  TRP  57           HE1      TRP  57   2.928  -3.217   6.256
  450    HE3  TRP  57           HE3      TRP  57   4.840  -4.904   1.632
  451    HZ2  TRP  57           HZ2      TRP  57   0.876  -3.603   4.325
  452    HZ3  TRP  57           HZ3      TRP  57   2.579  -4.973   0.635
  453    HH2  TRP  57           HH2      TRP  57   0.593  -4.334   1.971
  454    H    VAL  58           H        VAL  58   5.490  -1.520   3.324
  455    HA   VAL  58           HA       VAL  58   4.258  -2.229   0.817
  456    HB   VAL  58           HB       VAL  58   4.056   0.060   2.734
  457   1HG1  VAL  58          1HG1      VAL  58   3.100   0.083  -0.121
  458   2HG1  VAL  58          3HG1      VAL  58   2.232   0.973   1.130
  459   3HG1  VAL  58          2HG1      VAL  58   3.916   1.363   0.779
  460   1HG2  VAL  58          1HG2      VAL  58   2.309  -2.117   1.671
  461   2HG2  VAL  58          3HG2      VAL  58   2.612  -1.640   3.340
  462   3HG2  VAL  58          2HG2      VAL  58   1.558  -0.662   2.324
  463    H    GLN  59           H        GLN  59   6.585   0.316   1.733
  464    HA   GLN  59           HA       GLN  59   6.757   1.406  -0.931
  465   1HB   GLN  59          2HB       GLN  59   8.580   2.739  -0.070
  466   2HB   GLN  59          1HB       GLN  59   7.282   2.707   1.119
  467   1HG   GLN  59          2HG       GLN  59   8.440   0.827   2.257
  468   2HG   GLN  59          1HG       GLN  59   9.773   1.005   1.126
  469   1HE2  GLN  59          2HE2      GLN  59  11.178   3.767   2.833
  470   2HE2  GLN  59          1HE2      GLN  59  11.314   2.670   1.545
  471    NH1  ARG  60           NH1      ARG  60  14.553  -3.293   2.729
  472    NH2  ARG  60           NH2      ARG  60  15.417  -1.273   2.168
  473    H    ARG  60           H        ARG  60   8.433  -1.153   0.790
  474    HA   ARG  60           HA       ARG  60  10.557  -1.392  -1.220
  475   1HB   ARG  60          2HB       ARG  60  10.449  -2.184   1.352
  476   2HB   ARG  60          1HB       ARG  60   9.891  -3.673   0.590
  477   1HG   ARG  60          2HG       ARG  60  12.204  -3.988   0.594
  478   2HG   ARG  60          1HG       ARG  60  11.946  -3.292  -1.006
  479   1HD   ARG  60          2HD       ARG  60  12.825  -1.227  -0.404
  480   2HD   ARG  60          1HD       ARG  60  12.438  -1.444   1.303
  481    HE   ARG  60           HE       ARG  60  14.699  -2.848  -0.067
  482   1HH1  ARG  60          2HH1      ARG  60  14.020  -4.105   2.486
  483   2HH1  ARG  60          1HH1      ARG  60  14.960  -3.216   3.639
  484   1HH2  ARG  60          1HH2      ARG  60  15.544  -0.541   1.498
  485   2HH2  ARG  60          2HH2      ARG  60  15.825  -1.193   3.078
  486    H    VAL  61           H        VAL  61   7.526  -3.038  -0.376
  487    HA   VAL  61           HA       VAL  61   7.639  -5.093  -2.363
  488    HB   VAL  61           HB       VAL  61   5.415  -3.740  -0.835
  489   1HG1  VAL  61          2HG1      VAL  61   5.195  -5.580  -3.181
  490   2HG1  VAL  61          1HG1      VAL  61   4.059  -5.776  -1.846
  491   3HG1  VAL  61          3HG1      VAL  61   4.152  -4.239  -2.707
  492   1HG2  VAL  61          2HG2      VAL  61   6.523  -6.561  -0.901
  493   2HG2  VAL  61          1HG2      VAL  61   6.826  -5.357   0.350
  494   3HG2  VAL  61          3HG2      VAL  61   5.205  -6.016   0.134
  495    H    VAL  62           H        VAL  62   6.388  -1.768  -2.432
  496    HA   VAL  62           HA       VAL  62   5.313  -1.930  -5.107
  497    HB   VAL  62           HB       VAL  62   6.125   0.389  -3.334
  498   1HG1  VAL  62          2HG1      VAL  62   5.034   0.415  -6.157
  499   2HG1  VAL  62          1HG1      VAL  62   4.861   1.787  -5.061
  500   3HG1  VAL  62          3HG1      VAL  62   6.467   1.240  -5.542
  501   1HG2  VAL  62          3HG2      VAL  62   4.000  -1.150  -3.041
  502   2HG2  VAL  62          2HG2      VAL  62   3.845   0.600  -2.882
  503   3HG2  VAL  62          1HG2      VAL  62   3.371  -0.194  -4.384
  504    H    GLU  63           H        GLU  63   8.497  -1.038  -3.789
  505    HA   GLU  63           HA       GLU  63   9.578  -0.151  -6.303
  506   1HB   GLU  63          2HB       GLU  63  10.633  -0.725  -3.586
  507   2HB   GLU  63          1HB       GLU  63  11.791  -0.858  -4.910
  508   1HG   GLU  63          2HG       GLU  63  11.464   1.399  -5.570
  509   2HG   GLU  63          1HG       GLU  63   9.988   1.549  -4.616
  510    H    LYS  64           H        LYS  64   9.749  -3.248  -4.521
  511    HA   LYS  64           HA       LYS  64  11.407  -4.580  -6.414
  512   1HB   LYS  64          2HB       LYS  64  10.637  -5.277  -3.996
  513   2HB   LYS  64          1HB       LYS  64   9.312  -6.060  -4.859
  514   1HG   LYS  64          2HG       LYS  64  10.775  -7.483  -6.052
  515   2HG   LYS  64          1HG       LYS  64  12.183  -6.487  -5.682
  516   1HD   LYS  64          2HD       LYS  64  11.716  -7.056  -3.212
  517   2HD   LYS  64          1HD       LYS  64  10.657  -8.323  -3.834
  518   1HE   LYS  64          2HE       LYS  64  12.439  -9.462  -4.886
  519   2HE   LYS  64          1HE       LYS  64  13.500  -8.055  -4.806
  520   1HZ   LYS  64          3HZ       LYS  64  12.527  -9.618  -2.473
  521   2HZ   LYS  64          2HZ       LYS  64  14.086  -9.709  -3.143
  522   3HZ   LYS  64          1HZ       LYS  64  13.558  -8.273  -2.404
  523    H    PHE  65           H        PHE  65   7.961  -3.902  -6.362
  524    HA   PHE  65           HA       PHE  65   7.390  -5.768  -8.571
  525   1HB   PHE  65          2HB       PHE  65   5.866  -5.084  -6.539
  526   2HB   PHE  65          1HB       PHE  65   5.480  -3.690  -7.541
  527    HD1  PHE  65           HD2      PHE  65   5.596  -7.428  -7.576
  528    HD2  PHE  65           HD1      PHE  65   3.914  -3.868  -9.290
  529    HE1  PHE  65           HE2      PHE  65   4.005  -8.809  -8.881
  530    HE2  PHE  65           HE1      PHE  65   2.321  -5.248 -10.595
  531    HZ   PHE  65           HZ       PHE  65   2.366  -7.720 -10.393
  532    H    LEU  66           H        LEU  66   7.346  -2.229  -8.023
  533    HA   LEU  66           HA       LEU  66   6.841  -1.678 -10.856
  534   1HB   LEU  66          2HB       LEU  66   6.207  -0.300  -8.665
  535   2HB   LEU  66          1HB       LEU  66   7.768   0.455  -8.980
  536    HG   LEU  66           HG       LEU  66   6.960   0.785 -11.390
  537   1HD1  LEU  66          1HD1      LEU  66   4.418  -0.121 -10.032
  538   2HD1  LEU  66          3HD1      LEU  66   4.376   0.930 -11.447
  539   3HD1  LEU  66          2HD1      LEU  66   5.101  -0.673 -11.561
  540   1HD2  LEU  66          2HD2      LEU  66   5.579   2.172  -9.072
  541   2HD2  LEU  66          1HD2      LEU  66   7.081   2.660  -9.857
  542   3HD2  LEU  66          3HD2      LEU  66   5.553   2.771 -10.730
  543    H    LYS  67           H        LYS  67   9.652  -2.454  -9.126
  544    HA   LYS  67           HA       LYS  67  11.706  -0.799  -9.935
  545   1HB   LYS  67          2HB       LYS  67  11.616  -3.285  -8.836
  546   2HB   LYS  67          1HB       LYS  67  12.251  -3.670 -10.432
  547   1HG   LYS  67          2HG       LYS  67  14.267  -3.100  -9.573
  548   2HG   LYS  67          1HG       LYS  67  13.715  -1.434  -9.756
  549   1HD   LYS  67          2HD       LYS  67  12.960  -1.342  -7.480
  550   2HD   LYS  67          1HD       LYS  67  13.166  -3.082  -7.276
  551   1HE   LYS  67          2HE       LYS  67  15.525  -2.926  -7.286
  552   2HE   LYS  67          1HE       LYS  67  15.502  -1.312  -7.996
  553   1HZ   LYS  67          3HZ       LYS  67  14.440  -1.955  -5.299
  554   2HZ   LYS  67          2HZ       LYS  67  15.998  -1.342  -5.587
  555   3HZ   LYS  67          1HZ       LYS  67  14.630  -0.414  -5.982
  556    NH1  ARG  68           NH1      ARG  68   9.598  -9.253 -15.743
  557    NH2  ARG  68           NH2      ARG  68   8.580  -9.292 -13.718
  558    H    ARG  68           H        ARG  68  10.121  -3.240 -12.027
  559    HA   ARG  68           HA       ARG  68  11.880  -2.977 -14.260
  560   1HB   ARG  68          2HB       ARG  68   8.946  -3.717 -14.141
  561   2HB   ARG  68          1HB       ARG  68   9.925  -3.839 -15.599
  562   1HG   ARG  68          2HG       ARG  68  11.404  -5.440 -14.566
  563   2HG   ARG  68          1HG       ARG  68  10.646  -5.203 -12.992
  564   1HD   ARG  68          2HD       ARG  68   8.602  -6.220 -13.724
  565   2HD   ARG  68          1HD       ARG  68   9.122  -6.204 -15.409
  566    HE   ARG  68           HE       ARG  68  10.973  -7.737 -13.826
  567   1HH1  ARG  68          2HH1      ARG  68  10.237  -8.828 -16.384
  568   2HH1  ARG  68          1HH1      ARG  68   9.097 -10.077 -16.013
  569   1HH2  ARG  68          1HH2      ARG  68   8.442  -8.896 -12.810
  570   2HH2  ARG  68          2HH2      ARG  68   8.078 -10.115 -13.985
  571    H    ALA  69           H        ALA  69  11.126  -2.042 -16.426
  572    HA   ALA  69           HA       ALA  69   9.529   0.446 -16.158
  573   1HB   ALA  69          1HB       ALA  69  12.379   0.390 -17.201
  574   2HB   ALA  69          3HB       ALA  69  11.302   1.785 -17.261
  575   3HB   ALA  69          2HB       ALA  69  11.841   1.153 -15.706
  576    H    GLU  70           H        GLU  70  11.663  -1.229 -18.513
  577    HA   GLU  70           HA       GLU  70  11.255  -1.989 -20.680
  578   1HB   GLU  70          2HB       GLU  70   8.571  -2.000 -19.449
  579   2HB   GLU  70          1HB       GLU  70   8.565  -1.857 -21.206
  580   1HG   GLU  70          2HG       GLU  70  10.198  -3.818 -21.239
  581   2HG   GLU  70          1HG       GLU  70   9.820  -4.038 -19.530
  582    H    ASN  71           H        ASN  71   8.537   0.332 -20.439
  583    HA   ASN  71           HA       ASN  71  10.060   2.275 -22.077
  584   1HB   ASN  71          2HB       ASN  71   8.163   2.460 -23.704
  585   2HB   ASN  71          1HB       ASN  71   8.984   0.901 -23.775
  586   1HD2  ASN  71          2HD2      ASN  71   6.166  -0.941 -22.614
  587   2HD2  ASN  71          1HD2      ASN  71   7.833  -0.992 -22.924
  588    H    SER  72           H        SER  72   9.060   4.410 -22.074
  589    HA   SER  72           HA       SER  72   7.978   6.198 -21.026
  590   1HB   SER  72          2HB       SER  72   5.871   4.107 -20.395
  591   2HB   SER  72          1HB       SER  72   5.643   5.852 -20.359
  592    HG   SER  72           HG       SER  72   5.704   5.917 -22.507
  593   1HC   CH3  25          1H        LEU  25   1.111  -2.933 -11.004
  594   2HC   CH3  25          2H        LEU  25   0.072  -4.004 -11.940
  595   3HC   CH3  25          3H        LEU  25  -0.467  -2.370 -11.557
   
  Start of MODEL           6
 Raw file had  595 H/Q atoms
  Start of MODEL    6
    1   1H    GLU   4          3H        GLU   4 -15.067  17.220  -4.922
    2   2H    GLU   4          2H        GLU   4 -14.817  17.391  -3.249
    3   3H    GLU   4          1H        GLU   4 -15.132  18.757  -4.208
    4    HA   GLU   4           HA       GLU   4 -13.048  18.551  -5.334
    5   1HB   GLU   4          2HB       GLU   4 -13.308  18.878  -2.455
    6   2HB   GLU   4          1HB       GLU   4 -11.717  18.247  -2.879
    7   1HG   GLU   4          2HG       GLU   4 -11.283  20.490  -3.167
    8   2HG   GLU   4          1HG       GLU   4 -11.907  20.133  -4.777
    9    H    LEU   5           H        LEU   5 -10.902  17.422  -5.362
   10    HA   LEU   5           HA       LEU   5 -11.296  14.519  -5.487
   11   1HB   LEU   5          2HB       LEU   5  -9.824  16.183  -6.999
   12   2HB   LEU   5          1HB       LEU   5  -8.588  15.726  -5.830
   13    HG   LEU   5           HG       LEU   5 -10.226  13.496  -6.899
   14   1HD1  LEU   5          3HD1      LEU   5  -9.898  14.877  -8.922
   15   2HD1  LEU   5          2HD1      LEU   5  -8.165  14.934  -8.600
   16   3HD1  LEU   5          1HD1      LEU   5  -8.938  13.400  -9.000
   17   1HD2  LEU   5          1HD2      LEU   5  -8.151  13.461  -5.324
   18   2HD2  LEU   5          3HD2      LEU   5  -8.208  12.296  -6.647
   19   3HD2  LEU   5          2HD2      LEU   5  -7.220  13.748  -6.794
   20    NH1  ARG   6           NH1      ARG   6 -10.939  10.931   2.554
   21    NH2  ARG   6           NH2      ARG   6  -9.905  12.228   4.098
   22    H    ARG   6           H        ARG   6 -10.236  12.978  -4.171
   23    HA   ARG   6           HA       ARG   6  -8.416  13.872  -2.042
   24   1HB   ARG   6          2HB       ARG   6 -11.203  13.713  -1.534
   25   2HB   ARG   6          1HB       ARG   6 -10.471  12.319  -0.748
   26   1HG   ARG   6          2HG       ARG   6  -8.685  14.114   0.040
   27   2HG   ARG   6          1HG       ARG   6 -10.017  15.236  -0.240
   28   1HD   ARG   6          2HD       ARG   6 -10.360  14.635   1.992
   29   2HD   ARG   6          1HD       ARG   6 -11.415  13.504   1.145
   30    HE   ARG   6           HE       ARG   6  -8.730  12.443   1.561
   31   1HH1  ARG   6          2HH1      ARG   6 -11.132  10.708   1.598
   32   2HH1  ARG   6          1HH1      ARG   6 -11.345  10.383   3.285
   33   1HH2  ARG   6          1HH2      ARG   6  -9.308  12.998   4.323
   34   2HH2  ARG   6          2HH2      ARG   6 -10.311  11.681   4.830
   35    H    CYS   7           H        CYS   7  -8.593  11.582  -0.416
   36    HA   CYS   7           HA       CYS   7  -7.221   9.622  -2.087
   37   1HB   CYS   7          2HB       CYS   7  -7.911   9.828   0.836
   38   2HB   CYS   7          1HB       CYS   7  -7.315   8.315   0.168
   39    H    GLN   8           H        GLN   8  -8.183   7.978  -3.142
   40    HA   GLN   8           HA       GLN   8 -11.044   7.509  -2.899
   41   1HB   GLN   8          2HB       GLN   8  -9.316   7.185  -4.938
   42   2HB   GLN   8          1HB       GLN   8  -9.317   5.536  -4.314
   43   1HG   GLN   8          2HG       GLN   8 -11.083   5.563  -5.894
   44   2HG   GLN   8          1HG       GLN   8 -11.891   5.722  -4.335
   45   1HE2  GLN   8          2HE2      GLN   8 -13.482   8.652  -5.470
   46   2HE2  GLN   8          1HE2      GLN   8 -13.614   7.161  -4.671
   47    H    CYS   9           H        CYS   9  -8.341   6.331  -1.148
   48    HA   CYS   9           HA       CYS   9  -9.951   3.958  -0.262
   49   1HB   CYS   9          2HB       CYS   9  -7.093   4.251  -0.955
   50   2HB   CYS   9          1HB       CYS   9  -7.406   3.373   0.541
   51    H    ILE  10           H        ILE  10 -10.854   4.452   1.645
   52    HA   ILE  10           HA       ILE  10  -9.697   6.419   3.471
   53    HB   ILE  10           HB       ILE  10 -11.998   4.481   3.907
   54   1HG1  ILE  10          2HG1      ILE  10 -12.545   5.905   2.031
   55   2HG1  ILE  10          1HG1      ILE  10 -13.403   6.533   3.435
   56   1HG2  ILE  10          2HG2      ILE  10 -10.950   6.858   5.438
   57   2HG2  ILE  10          1HG2      ILE  10 -12.642   6.375   5.560
   58   3HG2  ILE  10          3HG2      ILE  10 -11.369   5.254   6.040
   59   1HD1  ILE  10          1HD1      ILE  10 -11.179   7.984   3.694
   60   2HD1  ILE  10          3HD1      ILE  10 -11.079   7.694   1.957
   61   3HD1  ILE  10          2HD1      ILE  10 -12.493   8.500   2.637
   62    H    LYS  11           H        LYS  11  -9.677   2.923   3.133
   63    HA   LYS  11           HA       LYS  11  -8.169   2.702   5.712
   64   1HB   LYS  11          2HB       LYS  11  -9.941   0.785   4.204
   65   2HB   LYS  11          1HB       LYS  11  -8.731   0.178   5.333
   66   1HG   LYS  11          2HG       LYS  11 -10.515   0.421   6.782
   67   2HG   LYS  11          1HG       LYS  11  -9.804   2.029   6.924
   68   1HD   LYS  11          2HD       LYS  11 -11.381   2.949   5.352
   69   2HD   LYS  11          1HD       LYS  11 -11.977   1.345   4.928
   70   1HE   LYS  11          2HE       LYS  11 -12.275   1.442   7.694
   71   2HE   LYS  11          1HE       LYS  11 -12.721   3.066   7.170
   72   1HZ   LYS  11          2HZ       LYS  11 -13.819   0.536   6.064
   73   2HZ   LYS  11          1HZ       LYS  11 -14.618   1.564   7.155
   74   3HZ   LYS  11          3HZ       LYS  11 -14.262   2.105   5.587
   75    H    THR  12           H        THR  12  -6.281   1.248   5.688
   76    HA   THR  12           HA       THR  12  -5.165   0.790   2.957
   77    HB   THR  12           HB       THR  12  -2.913   1.273   4.427
   78    HG1  THR  12           HG1      THR  12  -4.714   3.339   5.111
   79   1HG2  THR  12          2HG2      THR  12  -3.661   2.040   2.127
   80   2HG2  THR  12          1HG2      THR  12  -4.432   3.406   2.936
   81   3HG2  THR  12          3HG2      THR  12  -2.685   3.188   3.045
   82    OH   TYR  13           OH       TYR  13  -2.891  -8.675   4.294
   83    H    TYR  13           H        TYR  13  -2.797  -0.389   3.600
   84    HA   TYR  13           HA       TYR  13  -3.668  -2.814   5.099
   85   1HB   TYR  13          2HB       TYR  13  -3.276  -2.830   2.499
   86   2HB   TYR  13          1HB       TYR  13  -1.573  -2.864   2.949
   87    HD1  TYR  13           HD1      TYR  13  -4.255  -4.368   4.984
   88    HD2  TYR  13           HD2      TYR  13  -1.115  -5.051   2.145
   89    HE1  TYR  13           HE1      TYR  13  -4.381  -6.816   5.446
   90    HE2  TYR  13           HE2      TYR  13  -1.234  -7.504   2.598
   91    HH   TYR  13           HH       TYR  13  -2.701  -8.822   5.223
   92    H    SER  14           H        SER  14  -2.327  -3.597   6.653
   93    HA   SER  14           HA       SER  14   0.295  -2.210   7.055
   94   1HB   SER  14          2HB       SER  14  -0.003  -2.901   9.477
   95   2HB   SER  14          1HB       SER  14  -1.159  -1.703   8.904
   96    HG   SER  14           HG       SER  14  -1.513  -4.397   9.552
   97    H    LYS  15           H        LYS  15  -1.384  -5.326   7.019
   98    HA   LYS  15           HA       LYS  15   0.945  -6.872   7.791
   99   1HB   LYS  15          2HB       LYS  15  -1.055  -8.222   6.106
  100   2HB   LYS  15          1HB       LYS  15  -0.398  -8.704   7.647
  101   1HG   LYS  15          2HG       LYS  15  -1.823  -6.823   8.672
  102   2HG   LYS  15          1HG       LYS  15  -2.671  -6.794   7.127
  103   1HD   LYS  15          2HD       LYS  15  -3.662  -8.834   7.473
  104   2HD   LYS  15          1HD       LYS  15  -2.288  -9.466   8.380
  105   1HE   LYS  15          2HE       LYS  15  -3.230  -8.892  10.346
  106   2HE   LYS  15          1HE       LYS  15  -3.512  -7.244   9.789
  107   1HZ   LYS  15          3HZ       LYS  15  -5.500  -8.020   8.638
  108   2HZ   LYS  15          2HZ       LYS  15  -5.238  -9.596   9.221
  109   3HZ   LYS  15          1HZ       LYS  15  -5.590  -8.332  10.301
  110    HA   PRO  16           HA       PRO  16   2.888  -6.684   3.834
  111   1HB   PRO  16          2HB       PRO  16   4.927  -8.398   4.437
  112   2HB   PRO  16          1HB       PRO  16   4.849  -6.737   5.004
  113   1HG   PRO  16          2HG       PRO  16   4.427  -9.245   6.533
  114   2HG   PRO  16          1HG       PRO  16   4.875  -7.637   7.126
  115   1HD   PRO  16          2HD       PRO  16   2.271  -8.841   7.199
  116   2HD   PRO  16          1HD       PRO  16   2.692  -7.185   7.665
  117    H    PHE  17           H        PHE  17   3.296  -8.015   1.984
  118    HA   PHE  17           HA       PHE  17   2.737 -10.874   2.038
  119   1HB   PHE  17          2HB       PHE  17   0.709 -10.931   0.791
  120   2HB   PHE  17          1HB       PHE  17   0.436  -9.780   2.091
  121    HD1  PHE  17           HD2      PHE  17   1.225  -7.242   1.404
  122    HD2  PHE  17           HD1      PHE  17  -0.058 -10.322  -1.308
  123    HE1  PHE  17           HE2      PHE  17   0.619  -5.519  -0.276
  124    HE2  PHE  17           HE1      PHE  17  -0.669  -8.593  -2.977
  125    HZ   PHE  17           HZ       PHE  17  -0.329  -6.194  -2.459
  126    H    HIS  18           H        HIS  18   3.136 -11.895  -0.046
  127    HA   HIS  18           HA       HIS  18   5.317 -10.734  -1.474
  128   1HB   HIS  18          2HB       HIS  18   5.235 -13.077  -1.358
  129   2HB   HIS  18          1HB       HIS  18   3.564 -13.129  -1.902
  130    HD1  HIS  18           HD1      HIS  18   7.080 -12.876  -3.170
  131    HD2  HIS  18           HD2      HIS  18   3.212 -12.732  -4.633
  132    HE1  HIS  18           HE1      HIS  18   7.256 -13.052  -5.701
  133    HA   PRO  19           HA       PRO  19   3.289  -8.041  -4.264
  134   1HB   PRO  19          2HB       PRO  19   5.377  -7.650  -5.990
  135   2HB   PRO  19          1HB       PRO  19   5.266  -6.922  -4.381
  136   1HG   PRO  19          2HG       PRO  19   6.950  -9.209  -5.297
  137   2HG   PRO  19          1HG       PRO  19   7.253  -8.042  -3.999
  138   1HD   PRO  19          2HD       PRO  19   6.336 -10.679  -3.644
  139   2HD   PRO  19          1HD       PRO  19   6.276  -9.396  -2.424
  140    H    LYS  20           H        LYS  20   5.121 -10.638  -5.976
  141    HA   LYS  20           HA       LYS  20   3.951 -10.280  -8.492
  142   1HB   LYS  20          2HB       LYS  20   5.753 -12.035  -7.605
  143   2HB   LYS  20          1HB       LYS  20   4.348 -13.084  -7.730
  144   1HG   LYS  20          2HG       LYS  20   4.143 -12.792 -10.028
  145   2HG   LYS  20          1HG       LYS  20   4.974 -11.235  -9.999
  146   1HD   LYS  20          2HD       LYS  20   7.097 -12.422  -9.432
  147   2HD   LYS  20          1HD       LYS  20   6.246 -13.958  -9.599
  148   1HE   LYS  20          2HE       LYS  20   7.130 -13.735 -11.736
  149   2HE   LYS  20          1HE       LYS  20   5.561 -12.960 -11.955
  150   1HZ   LYS  20          3HZ       LYS  20   8.003 -11.462 -11.189
  151   2HZ   LYS  20          2HZ       LYS  20   7.533 -11.692 -12.804
  152   3HZ   LYS  20          1HZ       LYS  20   6.526 -10.833 -11.739
  153    H    PHE  21           H        PHE  21   2.378 -11.511  -5.645
  154    HA   PHE  21           HA       PHE  21   0.278 -13.021  -6.849
  155   1HB   PHE  21          2HB       PHE  21   0.255 -11.326  -4.374
  156   2HB   PHE  21          1HB       PHE  21  -1.002 -12.459  -4.802
  157    HD1  PHE  21           HD2      PHE  21   1.286 -14.419  -6.015
  158    HD2  PHE  21           HD1      PHE  21   0.538 -12.540  -2.223
  159    HE1  PHE  21           HE2      PHE  21   2.543 -16.220  -4.867
  160    HE2  PHE  21           HE1      PHE  21   1.790 -14.344  -1.079
  161    HZ   PHE  21           HZ       PHE  21   2.792 -16.187  -2.402
  162    H    ILE  22           H        ILE  22   0.714  -9.596  -6.160
  163    HA   ILE  22           HA       ILE  22  -1.873  -8.653  -6.904
  164    HB   ILE  22           HB       ILE  22   0.816  -7.254  -7.080
  165   1HG1  ILE  22          2HG1      ILE  22  -1.084  -6.667  -4.881
  166   2HG1  ILE  22          1HG1      ILE  22  -0.336  -8.263  -4.823
  167   1HG2  ILE  22          3HG2      ILE  22  -2.008  -6.374  -7.447
  168   2HG2  ILE  22          2HG2      ILE  22  -0.918  -5.279  -6.599
  169   3HG2  ILE  22          1HG2      ILE  22  -0.542  -5.803  -8.239
  170   1HD1  ILE  22          1HD1      ILE  22   1.763  -6.543  -5.499
  171   2HD1  ILE  22          3HD1      ILE  22   0.847  -5.658  -4.280
  172   3HD1  ILE  22          2HD1      ILE  22   1.474  -7.265  -3.917
  173    H    LYS  23           H        LYS  23  -2.801  -8.694  -8.866
  174    HA   LYS  23           HA       LYS  23  -1.162  -9.140 -11.280
  175   1HB   LYS  23          2HB       LYS  23  -4.044  -9.341 -10.567
  176   2HB   LYS  23          1HB       LYS  23  -3.690  -8.868 -12.229
  177   1HG   LYS  23          2HG       LYS  23  -2.339 -11.236 -10.923
  178   2HG   LYS  23          1HG       LYS  23  -3.879 -11.390 -11.770
  179   1HD   LYS  23          2HD       LYS  23  -2.795 -10.326 -13.781
  180   2HD   LYS  23          1HD       LYS  23  -1.253 -10.416 -12.929
  181   1HE   LYS  23          2HE       LYS  23  -1.067 -12.475 -13.862
  182   2HE   LYS  23          1HE       LYS  23  -2.230 -12.978 -12.638
  183   1HZ   LYS  23          1HZ       LYS  23  -4.019 -12.484 -14.189
  184   2HZ   LYS  23          3HZ       LYS  23  -2.895 -12.012 -15.368
  185   3HZ   LYS  23          2HZ       LYS  23  -2.949 -13.628 -14.844
  186    H    GLU  24           H        GLU  24  -2.802  -6.543  -9.615
  187    HA   GLU  24           HA       GLU  24  -1.852  -4.657 -11.709
  188   1HB   GLU  24          2HB       GLU  24  -4.679  -4.934 -10.688
  189   2HB   GLU  24          1HB       GLU  24  -4.086  -3.392 -11.302
  190   1HG   GLU  24          2HG       GLU  24  -3.872  -5.968 -12.878
  191   2HG   GLU  24          1HG       GLU  24  -5.252  -4.880 -13.012
  192    HA   LEU  25           HA       LEU  25  -1.213  -2.735  -7.683
  193   1HB   LEU  25          2HB       LEU  25   0.790  -4.071  -7.513
  194   2HB   LEU  25          1HB       LEU  25   1.570  -3.162  -8.809
  195    HG   LEU  25           HG       LEU  25   0.614  -1.444  -6.629
  196   1HD1  LEU  25          1HD1      LEU  25   1.471  -3.775  -5.633
  197   2HD1  LEU  25          3HD1      LEU  25   3.036  -2.999  -5.876
  198   3HD1  LEU  25          2HD1      LEU  25   1.821  -2.233  -4.851
  199   1HD2  LEU  25          2HD2      LEU  25   2.791  -1.646  -8.550
  200   2HD2  LEU  25          1HD2      LEU  25   2.176  -0.223  -7.710
  201   3HD2  LEU  25          3HD2      LEU  25   3.398  -1.238  -6.946
  202    NH1  ARG  26           NH2      ARG  26  -3.018   1.693 -15.615
  203    NH2  ARG  26           NH1      ARG  26  -4.622   3.022 -14.723
  204    H    ARG  26           H        ARG  26  -2.159  -0.721  -8.104
  205    HA   ARG  26           HA       ARG  26  -0.398   1.198  -9.526
  206   1HB   ARG  26          2HB       ARG  26  -3.150   0.526  -9.971
  207   2HB   ARG  26          1HB       ARG  26  -3.002   2.233  -9.573
  208   1HG   ARG  26          2HG       ARG  26  -1.469   2.618 -11.361
  209   2HG   ARG  26          1HG       ARG  26  -1.239   0.889 -11.625
  210   1HD   ARG  26          2HD       ARG  26  -3.295   0.635 -12.679
  211   2HD   ARG  26          1HD       ARG  26  -4.004   2.027 -11.860
  212    HE   ARG  26           HE       ARG  26  -2.038   3.145 -13.457
  213   1HH1  ARG  26          1HH2      ARG  26  -2.140   1.222 -15.534
  214   2HH1  ARG  26          2HH2      ARG  26  -3.550   1.616 -16.459
  215   1HH2  ARG  26          2HH1      ARG  26  -4.971   3.568 -13.960
  216   2HH2  ARG  26          1HH1      ARG  26  -5.155   2.947 -15.566
  217    H    VAL  27           H        VAL  27   0.282   2.901  -8.311
  218    HA   VAL  27           HA       VAL  27  -1.015   3.344  -5.675
  219    HB   VAL  27           HB       VAL  27   1.091   4.684  -5.235
  220   1HG1  VAL  27          3HG1      VAL  27   0.803   2.351  -4.475
  221   2HG1  VAL  27          2HG1      VAL  27   1.454   1.780  -6.010
  222   3HG1  VAL  27          1HG1      VAL  27   2.480   2.687  -4.899
  223   1HG2  VAL  27          2HG2      VAL  27   1.506   4.861  -7.814
  224   2HG2  VAL  27          1HG2      VAL  27   2.889   4.664  -6.739
  225   3HG2  VAL  27          3HG2      VAL  27   2.256   3.276  -7.624
  226    H    ILE  28           H        ILE  28  -1.686   5.453  -5.042
  227    HA   ILE  28           HA       ILE  28  -2.314   7.247  -7.324
  228    HB   ILE  28           HB       ILE  28  -3.210   7.376  -4.423
  229   1HG1  ILE  28          2HG1      ILE  28  -4.795   6.500  -6.856
  230   2HG1  ILE  28          1HG1      ILE  28  -3.972   5.363  -5.789
  231   1HG2  ILE  28          2HG2      ILE  28  -3.939   8.939  -6.908
  232   2HG2  ILE  28          1HG2      ILE  28  -5.011   8.859  -5.510
  233   3HG2  ILE  28          3HG2      ILE  28  -3.402   9.561  -5.349
  234   1HD1  ILE  28          1HD1      ILE  28  -5.822   7.419  -4.613
  235   2HD1  ILE  28          3HD1      ILE  28  -6.492   5.959  -5.341
  236   3HD1  ILE  28          2HD1      ILE  28  -5.375   5.834  -3.982
  237    H    GLU  29           H        GLU  29  -1.410   9.292  -7.529
  238    HA   GLU  29           HA       GLU  29   1.021   9.866  -6.066
  239   1HB   GLU  29          2HB       GLU  29  -0.612  11.617  -7.927
  240   2HB   GLU  29          1HB       GLU  29   1.021  11.959  -7.377
  241   1HG   GLU  29          2HG       GLU  29   1.711   9.724  -8.373
  242   2HG   GLU  29          1HG       GLU  29   0.119   9.667  -9.128
  243    H    SER  30           H        SER  30   1.312  12.066  -4.978
  244    HA   SER  30           HA       SER  30  -1.053  12.609  -3.236
  245   1HB   SER  30          2HB       SER  30   0.923  13.773  -1.871
  246   2HB   SER  30          1HB       SER  30   0.584  12.057  -1.714
  247    HG   SER  30           HG       SER  30   2.796  12.449  -2.113
  248    H    GLY  31           H        GLY  31  -1.370  14.868  -2.587
  249   1HA   GLY  31          2HA       GLY  31  -0.053  17.084  -3.808
  250   2HA   GLY  31          1HA       GLY  31  -1.459  16.672  -4.780
  251    HA   PRO  32           HA       PRO  32  -3.134  19.422  -1.526
  252   1HB   PRO  32          2HB       PRO  32  -4.934  20.634  -3.228
  253   2HB   PRO  32          1HB       PRO  32  -3.268  21.196  -2.999
  254   1HG   PRO  32          2HG       PRO  32  -4.444  19.681  -5.293
  255   2HG   PRO  32          1HG       PRO  32  -3.087  20.820  -5.278
  256   1HD   PRO  32          2HD       PRO  32  -2.848  18.021  -5.367
  257   2HD   PRO  32          1HD       PRO  32  -1.551  19.147  -4.915
  258    H    HIS  33           H        HIS  33  -4.702  17.488  -4.020
  259    HA   HIS  33           HA       HIS  33  -7.293  17.188  -2.905
  260   1HB   HIS  33          2HB       HIS  33  -7.377  15.070  -4.244
  261   2HB   HIS  33          1HB       HIS  33  -6.789  16.438  -5.184
  262    HD1  HIS  33           HD1      HIS  33  -4.158  16.535  -5.618
  263    HD2  HIS  33           HD2      HIS  33  -5.517  12.975  -3.925
  264    HE1  HIS  33           HE1      HIS  33  -2.226  14.907  -5.741
  265    H    CYS  34           H        CYS  34  -4.284  15.411  -2.310
  266    HA   CYS  34           HA       CYS  34  -5.228  14.563   0.295
  267   1HB   CYS  34          2HB       CYS  34  -5.828  12.841  -1.744
  268   2HB   CYS  34          1HB       CYS  34  -4.238  12.253  -1.264
  269    H    ALA  35           H        ALA  35  -3.457  15.347   1.368
  270    HA   ALA  35           HA       ALA  35  -0.826  15.541   0.301
  271   1HB   ALA  35          3HB       ALA  35  -1.814  16.732   2.352
  272   2HB   ALA  35          2HB       ALA  35  -1.427  15.263   3.246
  273   3HB   ALA  35          1HB       ALA  35  -0.140  16.193   2.478
  274    H    ASN  36           H        ASN  36  -2.293  13.029   2.356
  275    HA   ASN  36           HA       ASN  36   0.167  11.476   2.500
  276   1HB   ASN  36          2HB       ASN  36  -2.675  11.093   3.373
  277   2HB   ASN  36          1HB       ASN  36  -1.622   9.684   3.278
  278   1HD2  ASN  36          2HD2      ASN  36   0.467  10.740   5.995
  279   2HD2  ASN  36          1HD2      ASN  36   0.423   9.765   4.606
  280    H    THR  37           H        THR  37   0.802   9.818   1.173
  281    HA   THR  37           HA       THR  37  -0.562   9.491  -1.394
  282    HB   THR  37           HB       THR  37   1.676   7.712  -0.436
  283    HG1  THR  37           HG1      THR  37   1.942  10.376  -1.382
  284   1HG2  THR  37          2HG2      THR  37   0.949   8.977  -3.093
  285   2HG2  THR  37          1HG2      THR  37   2.360   7.956  -2.819
  286   3HG2  THR  37          3HG2      THR  37   0.739   7.283  -2.648
  287    H    GLU  38           H        GLU  38  -1.540   7.522  -2.151
  288    HA   GLU  38           HA       GLU  38  -2.133   5.499  -0.029
  289   1HB   GLU  38          2HB       GLU  38  -3.999   7.297  -0.873
  290   2HB   GLU  38          1HB       GLU  38  -4.256   6.000  -2.039
  291   1HG   GLU  38          2HG       GLU  38  -5.663   5.358  -0.282
  292   2HG   GLU  38          1HG       GLU  38  -4.197   4.445   0.071
  293    H    ILE  39           H        ILE  39  -1.510   3.504  -0.699
  294    HA   ILE  39           HA       ILE  39  -0.909   3.073  -3.561
  295    HB   ILE  39           HB       ILE  39  -0.470   1.407  -1.063
  296   1HG1  ILE  39          2HG1      ILE  39   1.811   2.218  -2.731
  297   2HG1  ILE  39          1HG1      ILE  39   0.918   3.583  -2.061
  298   1HG2  ILE  39          3HG2      ILE  39   0.038   0.783  -3.971
  299   2HG2  ILE  39          2HG2      ILE  39   1.027   0.063  -2.701
  300   3HG2  ILE  39          1HG2      ILE  39  -0.711  -0.236  -2.742
  301   1HD1  ILE  39          1HD1      ILE  39   1.174   1.626   0.000
  302   2HD1  ILE  39          3HD1      ILE  39   2.765   1.847  -0.729
  303   3HD1  ILE  39          2HD1      ILE  39   1.897   3.233  -0.068
  304    H    ILE  40           H        ILE  40  -1.787   1.145  -4.690
  305    HA   ILE  40           HA       ILE  40  -4.207  -0.080  -3.513
  306    HB   ILE  40           HB       ILE  40  -4.348   1.268  -6.229
  307   1HG1  ILE  40          2HG1      ILE  40  -5.699   2.149  -3.659
  308   2HG1  ILE  40          1HG1      ILE  40  -4.205   2.869  -4.255
  309   1HG2  ILE  40          3HG2      ILE  40  -6.397  -0.081  -4.439
  310   2HG2  ILE  40          2HG2      ILE  40  -6.789   0.788  -5.923
  311   3HG2  ILE  40          1HG2      ILE  40  -5.807  -0.675  -5.991
  312   1HD1  ILE  40          1HD1      ILE  40  -6.599   2.660  -6.065
  313   2HD1  ILE  40          3HD1      ILE  40  -6.480   3.981  -4.903
  314   3HD1  ILE  40          2HD1      ILE  40  -5.244   3.785  -6.146
  315    H    VAL  41           H        VAL  41  -4.264  -2.197  -4.080
  316    HA   VAL  41           HA       VAL  41  -2.805  -3.074  -6.511
  317    HB   VAL  41           HB       VAL  41  -2.066  -5.058  -5.158
  318   1HG1  VAL  41          1HG1      VAL  41  -0.590  -3.111  -5.655
  319   2HG1  VAL  41          3HG1      VAL  41  -1.088  -2.393  -4.124
  320   3HG1  VAL  41          2HG1      VAL  41  -0.186  -3.908  -4.135
  321   1HG2  VAL  41          1HG2      VAL  41  -3.846  -4.498  -3.336
  322   2HG2  VAL  41          3HG2      VAL  41  -2.281  -5.133  -2.828
  323   3HG2  VAL  41          2HG2      VAL  41  -2.609  -3.405  -2.714
  324    H    LYS  42           H        LYS  42  -3.478  -5.356  -7.102
  325    HA   LYS  42           HA       LYS  42  -6.243  -6.004  -6.201
  326   1HB   LYS  42          2HB       LYS  42  -5.435  -5.092  -8.828
  327   2HB   LYS  42          1HB       LYS  42  -6.047  -6.742  -8.933
  328   1HG   LYS  42          2HG       LYS  42  -8.173  -6.142  -8.322
  329   2HG   LYS  42          1HG       LYS  42  -7.613  -4.868  -7.238
  330   1HD   LYS  42          2HD       LYS  42  -8.639  -3.711  -9.040
  331   2HD   LYS  42          1HD       LYS  42  -6.909  -3.602  -9.369
  332   1HE   LYS  42          2HE       LYS  42  -7.279  -5.803 -10.728
  333   2HE   LYS  42          1HE       LYS  42  -8.978  -5.335 -10.705
  334   1HZ   LYS  42          3HZ       LYS  42  -6.747  -3.629 -11.676
  335   2HZ   LYS  42          2HZ       LYS  42  -7.816  -4.501 -12.668
  336   3HZ   LYS  42          1HZ       LYS  42  -8.395  -3.229 -11.702
  337    H    LEU  43           H        LEU  43  -5.747  -7.879  -5.100
  338    HA   LEU  43           HA       LEU  43  -3.660  -9.692  -5.741
  339   1HB   LEU  43          2HB       LEU  43  -6.215  -9.982  -4.180
  340   2HB   LEU  43          1HB       LEU  43  -5.120 -11.333  -4.392
  341    HG   LEU  43           HG       LEU  43  -4.193  -8.654  -3.341
  342   1HD1  LEU  43          3HD1      LEU  43  -5.347 -11.034  -1.892
  343   2HD1  LEU  43          2HD1      LEU  43  -4.187  -9.964  -1.101
  344   3HD1  LEU  43          1HD1      LEU  43  -5.727  -9.325  -1.679
  345   1HD2  LEU  43          2HD2      LEU  43  -3.040 -11.444  -3.498
  346   2HD2  LEU  43          1HD2      LEU  43  -2.349  -9.940  -4.109
  347   3HD2  LEU  43          3HD2      LEU  43  -2.402 -10.246  -2.373
  348    H    SER  44           H        SER  44  -3.656 -11.674  -6.821
  349    HA   SER  44           HA       SER  44  -5.039 -11.881  -9.254
  350   1HB   SER  44          2HB       SER  44  -4.235 -14.264  -9.262
  351   2HB   SER  44          1HB       SER  44  -2.977 -13.078  -8.935
  352    HG   SER  44           HG       SER  44  -2.962 -14.868  -7.471
  353    H    ASP  45           H        ASP  45  -6.045 -12.994  -6.067
  354    HA   ASP  45           HA       ASP  45  -8.070 -14.796  -7.052
  355   1HB   ASP  45          2HB       ASP  45  -8.763 -15.030  -4.776
  356   2HB   ASP  45          1HB       ASP  45  -7.009 -14.874  -4.740
  357    H    GLY  46           H        GLY  46  -7.893 -11.495  -7.316
  358   1HA   GLY  46          2HA       GLY  46  -9.613 -10.108  -8.219
  359   2HA   GLY  46          1HA       GLY  46 -10.815 -11.264  -7.647
  360    NH1  ARG  47           NH1      ARG  47 -10.832  -9.231   1.716
  361    NH2  ARG  47           NH2      ARG  47 -12.076 -10.930   0.868
  362    H    ARG  47           H        ARG  47  -8.171  -9.980  -5.673
  363    HA   ARG  47           HA       ARG  47 -10.228  -8.825  -3.845
  364   1HB   ARG  47          2HB       ARG  47  -8.339 -10.572  -3.212
  365   2HB   ARG  47          1HB       ARG  47  -7.335  -9.130  -3.132
  366   1HG   ARG  47          2HG       ARG  47  -8.136  -9.287  -0.938
  367   2HG   ARG  47          1HG       ARG  47  -9.290  -8.172  -1.666
  368   1HD   ARG  47          2HD       ARG  47 -11.002  -9.669  -1.557
  369   2HD   ARG  47          1HD       ARG  47  -9.966 -11.032  -1.979
  370    HE   ARG  47           HE       ARG  47  -9.209 -11.036   0.413
  371   1HH1  ARG  47          1HH1      ARG  47 -11.579  -8.991   2.337
  372   2HH1  ARG  47          2HH1      ARG  47  -9.983  -8.702   1.728
  373   1HH2  ARG  47          1HH2      ARG  47 -12.175 -11.697   0.234
  374   2HH2  ARG  47          2HH2      ARG  47 -12.825 -10.694   1.487
  375    H    GLU  48           H        GLU  48  -9.634  -6.739  -2.791
  376    HA   GLU  48           HA       GLU  48  -7.805  -5.044  -4.428
  377   1HB   GLU  48          2HB       GLU  48 -10.706  -4.767  -4.074
  378   2HB   GLU  48          1HB       GLU  48  -9.826  -3.318  -3.590
  379   1HG   GLU  48          2HG       GLU  48  -8.750  -3.162  -5.742
  380   2HG   GLU  48          1HG       GLU  48  -9.377  -4.738  -6.228
  381    H    LEU  49           H        LEU  49  -6.248  -4.397  -3.010
  382    HA   LEU  49           HA       LEU  49  -7.109  -3.655  -0.231
  383   1HB   LEU  49          2HB       LEU  49  -5.174  -5.657  -1.115
  384   2HB   LEU  49          1HB       LEU  49  -4.456  -4.461  -0.038
  385    HG   LEU  49           HG       LEU  49  -6.531  -4.865   1.463
  386   1HD1  LEU  49          3HD1      LEU  49  -7.347  -6.416  -0.639
  387   2HD1  LEU  49          2HD1      LEU  49  -6.605  -7.625   0.409
  388   3HD1  LEU  49          1HD1      LEU  49  -7.917  -6.617   1.018
  389   1HD2  LEU  49          2HD2      LEU  49  -4.102  -5.651   1.785
  390   2HD2  LEU  49          1HD2      LEU  49  -5.345  -6.552   2.652
  391   3HD2  LEU  49          3HD2      LEU  49  -4.645  -7.212   1.173
  392    H    CYS  50           H        CYS  50  -6.603  -1.549   0.177
  393    HA   CYS  50           HA       CYS  50  -4.606  -0.160  -1.486
  394   1HB   CYS  50          2HB       CYS  50  -5.592   1.268   0.851
  395   2HB   CYS  50          1HB       CYS  50  -5.560   1.772  -0.821
  396    H    LEU  51           H        LEU  51  -2.505   0.216  -0.751
  397    HA   LEU  51           HA       LEU  51  -1.872  -0.973   1.864
  398   1HB   LEU  51          2HB       LEU  51  -0.201  -0.375  -0.548
  399   2HB   LEU  51          1HB       LEU  51   0.480  -0.905   0.979
  400    HG   LEU  51           HG       LEU  51  -1.790  -2.550   0.274
  401   1HD1  LEU  51          1HD1      LEU  51   0.461  -2.358  -1.730
  402   2HD1  LEU  51          3HD1      LEU  51  -0.691  -3.690  -1.654
  403   3HD1  LEU  51          2HD1      LEU  51  -1.252  -2.060  -2.026
  404   1HD2  LEU  51          3HD2      LEU  51   0.078  -3.035   1.883
  405   2HD2  LEU  51          2HD2      LEU  51  -0.220  -4.324   0.719
  406   3HD2  LEU  51          1HD2      LEU  51   1.149  -3.235   0.495
  407    H    ASP  52           H        ASP  52  -0.146  -0.044   3.101
  408    HA   ASP  52           HA       ASP  52  -0.325   2.933   3.197
  409   1HB   ASP  52          2HB       ASP  52  -1.191   1.280   5.087
  410   2HB   ASP  52          1HB       ASP  52   0.512   1.254   5.537
  411    HA   PRO  53           HA       PRO  53   4.038   2.609   2.230
  412   1HB   PRO  53          2HB       PRO  53   4.458   5.334   2.150
  413   2HB   PRO  53          1HB       PRO  53   3.804   4.388   0.801
  414   1HG   PRO  53          2HG       PRO  53   2.367   6.192   2.708
  415   2HG   PRO  53          1HG       PRO  53   1.990   5.814   1.018
  416   1HD   PRO  53          2HD       PRO  53   0.668   4.715   3.226
  417   2HD   PRO  53          1HD       PRO  53   0.675   4.012   1.593
  418    H    LYS  54           H        LYS  54   2.535   3.638   5.085
  419    HA   LYS  54           HA       LYS  54   4.626   4.868   6.530
  420   1HB   LYS  54          2HB       LYS  54   2.149   3.365   7.228
  421   2HB   LYS  54          1HB       LYS  54   3.356   3.568   8.496
  422   1HG   LYS  54          2HG       LYS  54   3.350   6.009   8.114
  423   2HG   LYS  54          1HG       LYS  54   2.133   5.806   6.855
  424   1HD   LYS  54          2HD       LYS  54   0.452   5.558   8.356
  425   2HD   LYS  54          1HD       LYS  54   1.418   4.513   9.398
  426   1HE   LYS  54          2HE       LYS  54   1.259   6.361  10.775
  427   2HE   LYS  54          1HE       LYS  54   2.708   6.802   9.876
  428   1HZ   LYS  54          3HZ       LYS  54   1.291   8.038   8.323
  429   2HZ   LYS  54          2HZ       LYS  54  -0.070   7.665   9.269
  430   3HZ   LYS  54          1HZ       LYS  54   1.171   8.634   9.906
  431    H    GLU  55           H        GLU  55   4.012   1.469   5.733
  432    HA   GLU  55           HA       GLU  55   6.082   0.524   7.588
  433   1HB   GLU  55          2HB       GLU  55   4.510  -0.870   5.407
  434   2HB   GLU  55          1HB       GLU  55   5.666  -1.669   6.453
  435   1HG   GLU  55          2HG       GLU  55   3.703  -2.075   7.614
  436   2HG   GLU  55          1HG       GLU  55   4.237  -0.589   8.376
  437    H    ASN  56           H        ASN  56   7.895  -0.782   6.681
  438    HA   ASN  56           HA       ASN  56   9.140   0.658   4.421
  439   1HB   ASN  56          2HB       ASN  56  10.085  -0.648   6.784
  440   2HB   ASN  56          1HB       ASN  56  10.864  -1.343   5.369
  441   1HD2  ASN  56          2HD2      ASN  56  13.013   1.420   5.039
  442   2HD2  ASN  56          1HD2      ASN  56  12.746  -0.238   4.797
  443    CH2  TRP  57           CH2      TRP  57   1.974  -4.861   2.509
  444    H    TRP  57           H        TRP  57   7.469  -2.276   5.052
  445    HA   TRP  57           HA       TRP  57   8.704  -3.740   2.878
  446   1HB   TRP  57          2HB       TRP  57   7.279  -5.533   3.482
  447   2HB   TRP  57          1HB       TRP  57   7.755  -4.789   4.979
  448    HD1  TRP  57           HD1      TRP  57   5.915  -3.885   6.477
  449    HE1  TRP  57           HE1      TRP  57   3.354  -3.866   6.356
  450    HE3  TRP  57           HE3      TRP  57   5.239  -5.230   1.622
  451    HZ2  TRP  57           HZ2      TRP  57   1.284  -4.294   4.465
  452    HZ3  TRP  57           HZ3      TRP  57   2.963  -5.394   0.678
  453    HH2  TRP  57           HH2      TRP  57   0.983  -4.944   2.093
  454    H    VAL  58           H        VAL  58   5.727  -1.907   3.429
  455    HA   VAL  58           HA       VAL  58   4.486  -2.576   0.917
  456    HB   VAL  58           HB       VAL  58   4.181  -0.342   2.898
  457   1HG1  VAL  58          3HG1      VAL  58   3.036  -0.427   0.106
  458   2HG1  VAL  58          2HG1      VAL  58   2.242   0.455   1.411
  459   3HG1  VAL  58          1HG1      VAL  58   3.868   0.910   0.903
  460   1HG2  VAL  58          2HG2      VAL  58   2.582  -2.659   1.898
  461   2HG2  VAL  58          1HG2      VAL  58   2.926  -2.172   3.556
  462   3HG2  VAL  58          3HG2      VAL  58   1.742  -1.280   2.605
  463    H    GLN  59           H        GLN  59   6.687   0.059   1.892
  464    HA   GLN  59           HA       GLN  59   6.700   1.276  -0.722
  465   1HB   GLN  59          2HB       GLN  59   8.524   2.642   0.139
  466   2HB   GLN  59          1HB       GLN  59   7.226   2.547   1.325
  467   1HG   GLN  59          2HG       GLN  59   8.420   0.725   2.464
  468   2HG   GLN  59          1HG       GLN  59   9.728   0.862   1.299
  469   1HE2  GLN  59          2HE2      GLN  59  11.161   3.713   2.847
  470   2HE2  GLN  59          1HE2      GLN  59  11.224   2.635   1.538
  471    NH1  ARG  60           NH1      ARG  60  14.749  -5.148  -1.427
  472    NH2  ARG  60           NH2      ARG  60  15.606  -5.281   0.670
  473    H    ARG  60           H        ARG  60   8.602  -1.246   0.816
  474    HA   ARG  60           HA       ARG  60  10.641  -1.251  -1.294
  475   1HB   ARG  60          2HB       ARG  60  10.736  -2.142   1.235
  476   2HB   ARG  60          1HB       ARG  60  10.211  -3.635   0.463
  477   1HG   ARG  60          2HG       ARG  60  12.114  -3.539  -1.081
  478   2HG   ARG  60          1HG       ARG  60  12.623  -2.002  -0.382
  479   1HD   ARG  60          2HD       ARG  60  13.793  -3.110   1.186
  480   2HD   ARG  60          1HD       ARG  60  12.301  -3.848   1.769
  481    HE   ARG  60           HE       ARG  60  12.765  -5.780   0.390
  482   1HH1  ARG  60          2HH1      ARG  60  13.961  -5.046  -2.036
  483   2HH1  ARG  60          1HH1      ARG  60  15.667  -5.252  -1.811
  484   1HH2  ARG  60          1HH2      ARG  60  15.473  -5.279   1.662
  485   2HH2  ARG  60          2HH2      ARG  60  16.526  -5.384   0.291
  486    H    VAL  61           H        VAL  61   7.762  -3.115  -0.394
  487    HA   VAL  61           HA       VAL  61   7.936  -5.079  -2.476
  488    HB   VAL  61           HB       VAL  61   5.689  -3.980  -0.782
  489   1HG1  VAL  61          2HG1      VAL  61   5.510  -5.752  -3.184
  490   2HG1  VAL  61          1HG1      VAL  61   4.464  -6.090  -1.807
  491   3HG1  VAL  61          3HG1      VAL  61   4.382  -4.523  -2.613
  492   1HG2  VAL  61          1HG2      VAL  61   7.027  -6.694  -1.014
  493   2HG2  VAL  61          3HG2      VAL  61   7.294  -5.511   0.267
  494   3HG2  VAL  61          2HG2      VAL  61   5.725  -6.296   0.106
  495    H    VAL  62           H        VAL  62   6.336  -1.895  -2.324
  496    HA   VAL  62           HA       VAL  62   5.171  -2.040  -4.954
  497    HB   VAL  62           HB       VAL  62   5.886   0.301  -3.159
  498   1HG1  VAL  62          2HG1      VAL  62   4.495   0.257  -5.851
  499   2HG1  VAL  62          1HG1      VAL  62   4.334   1.592  -4.711
  500   3HG1  VAL  62          3HG1      VAL  62   5.914   1.196  -5.386
  501   1HG2  VAL  62          3HG2      VAL  62   3.989  -1.448  -2.672
  502   2HG2  VAL  62          2HG2      VAL  62   3.635   0.272  -2.510
  503   3HG2  VAL  62          1HG2      VAL  62   3.125  -0.601  -3.956
  504    H    GLU  63           H        GLU  63   8.295  -0.821  -3.742
  505    HA   GLU  63           HA       GLU  63   9.168   0.260  -6.243
  506   1HB   GLU  63          2HB       GLU  63  10.472  -0.454  -3.650
  507   2HB   GLU  63          1HB       GLU  63  11.507  -0.217  -5.057
  508   1HG   GLU  63          2HG       GLU  63  10.645   2.015  -5.404
  509   2HG   GLU  63          1HG       GLU  63   9.415   1.784  -4.160
  510    H    LYS  64           H        LYS  64   9.718  -2.910  -4.666
  511    HA   LYS  64           HA       LYS  64  11.399  -3.954  -6.719
  512   1HB   LYS  64          2HB       LYS  64  10.693  -4.842  -4.273
  513   2HB   LYS  64          1HB       LYS  64   9.623  -5.837  -5.260
  514   1HG   LYS  64          2HG       LYS  64  11.404  -6.869  -6.385
  515   2HG   LYS  64          1HG       LYS  64  12.534  -5.577  -5.979
  516   1HD   LYS  64          2HD       LYS  64  13.171  -7.300  -4.514
  517   2HD   LYS  64          1HD       LYS  64  12.117  -6.304  -3.510
  518   1HE   LYS  64          2HE       LYS  64  10.436  -7.870  -3.475
  519   2HE   LYS  64          1HE       LYS  64  10.802  -8.452  -5.098
  520   1HZ   LYS  64          2HZ       LYS  64  12.449  -8.977  -2.681
  521   2HZ   LYS  64          1HZ       LYS  64  11.365 -10.080  -3.384
  522   3HZ   LYS  64          3HZ       LYS  64  12.740  -9.582  -4.243
  523    H    PHE  65           H        PHE  65   7.885  -3.838  -6.329
  524    HA   PHE  65           HA       PHE  65   7.289  -5.625  -8.529
  525   1HB   PHE  65          2HB       PHE  65   5.788  -4.853  -6.540
  526   2HB   PHE  65          1HB       PHE  65   5.450  -3.453  -7.548
  527    HD1  PHE  65           HD1      PHE  65   5.638  -7.197  -7.849
  528    HD2  PHE  65           HD2      PHE  65   3.643  -3.573  -9.001
  529    HE1  PHE  65           HE1      PHE  65   3.986  -8.515  -9.145
  530    HE2  PHE  65           HE2      PHE  65   1.991  -4.891 -10.297
  531    HZ   PHE  65           HZ       PHE  65   2.164  -7.365 -10.371
  532    H    LEU  66           H        LEU  66   7.312  -2.063  -8.171
  533    HA   LEU  66           HA       LEU  66   6.634  -1.527 -10.922
  534   1HB   LEU  66          2HB       LEU  66   6.531   0.063  -8.874
  535   2HB   LEU  66          1HB       LEU  66   8.243   0.344  -9.185
  536    HG   LEU  66           HG       LEU  66   7.256   0.639 -11.697
  537   1HD1  LEU  66          2HD1      LEU  66   5.095   1.580  -9.787
  538   2HD1  LEU  66          1HD1      LEU  66   5.180   2.017 -11.494
  539   3HD1  LEU  66          3HD1      LEU  66   4.931   0.335 -11.025
  540   1HD2  LEU  66          2HD2      LEU  66   7.541   2.647  -9.452
  541   2HD2  LEU  66          1HD2      LEU  66   8.692   2.283 -10.737
  542   3HD2  LEU  66          3HD2      LEU  66   7.198   3.142 -11.108
  543    H    LYS  67           H        LYS  67   9.777  -1.563  -9.192
  544    HA   LYS  67           HA       LYS  67  11.296  -1.059 -11.630
  545   1HB   LYS  67          2HB       LYS  67  12.072  -1.944  -8.840
  546   2HB   LYS  67          1HB       LYS  67  13.254  -1.782 -10.138
  547   1HG   LYS  67          2HG       LYS  67  11.405   0.517  -9.736
  548   2HG   LYS  67          1HG       LYS  67  12.625   0.259  -8.489
  549   1HD   LYS  67          2HD       LYS  67  13.605   0.051 -11.278
  550   2HD   LYS  67          1HD       LYS  67  13.086   1.661 -10.778
  551   1HE   LYS  67          2HE       LYS  67  14.695   1.804  -9.090
  552   2HE   LYS  67          1HE       LYS  67  14.866   0.053  -8.967
  553   1HZ   LYS  67          1HZ       LYS  67  15.756   1.712 -11.266
  554   2HZ   LYS  67          3HZ       LYS  67  16.769   1.071 -10.066
  555   3HZ   LYS  67          2HZ       LYS  67  15.942   0.029 -11.122
  556    NH1  ARG  68           NH1      ARG  68  16.786  -4.924  -8.754
  557    NH2  ARG  68           NH2      ARG  68  16.699  -6.896  -7.634
  558    H    ARG  68           H        ARG  68  12.980  -2.682 -12.385
  559    HA   ARG  68           HA       ARG  68  13.562  -4.778 -13.243
  560   1HB   ARG  68          2HB       ARG  68  11.812  -5.891 -11.026
  561   2HB   ARG  68          1HB       ARG  68  13.023  -6.777 -11.950
  562   1HG   ARG  68          2HG       ARG  68  14.744  -5.121 -11.106
  563   2HG   ARG  68          1HG       ARG  68  13.501  -4.487 -10.025
  564   1HD   ARG  68          2HD       ARG  68  13.209  -6.965  -9.280
  565   2HD   ARG  68          1HD       ARG  68  14.793  -7.208 -10.018
  566    HE   ARG  68           HE       ARG  68  14.238  -5.538  -7.627
  567   1HH1  ARG  68          2HH1      ARG  68  16.320  -4.172  -9.221
  568   2HH1  ARG  68          1HH1      ARG  68  17.784  -4.921  -8.675
  569   1HH2  ARG  68          1HH2      ARG  68  16.167  -7.648  -7.247
  570   2HH2  ARG  68          2HH2      ARG  68  17.696  -6.896  -7.554
  571    H    ALA  69           H        ALA  69  12.520  -6.775 -14.297
  572    HA   ALA  69           HA       ALA  69   9.928  -5.925 -15.503
  573   1HB   ALA  69          3HB       ALA  69  12.075  -6.490 -16.874
  574   2HB   ALA  69          2HB       ALA  69  11.651  -8.168 -16.537
  575   3HB   ALA  69          1HB       ALA  69  10.529  -7.136 -17.423
  576    H    GLU  70           H        GLU  70   8.376  -7.724 -16.035
  577    HA   GLU  70           HA       GLU  70   8.547 -10.060 -14.203
  578   1HB   GLU  70          2HB       GLU  70   6.119  -9.679 -13.580
  579   2HB   GLU  70          1HB       GLU  70   7.248  -8.510 -12.899
  580   1HG   GLU  70          2HG       GLU  70   6.601  -6.818 -14.415
  581   2HG   GLU  70          1HG       GLU  70   5.855  -7.971 -15.521
  582    H    ASN  71           H        ASN  71   6.934 -11.754 -14.791
  583    HA   ASN  71           HA       ASN  71   6.605 -11.863 -17.731
  584   1HB   ASN  71          2HB       ASN  71   6.093 -13.986 -15.619
  585   2HB   ASN  71          1HB       ASN  71   6.094 -14.243 -17.364
  586   1HD2  ASN  71          2HD2      ASN  71   9.698 -13.888 -17.618
  587   2HD2  ASN  71          1HD2      ASN  71   8.274 -13.532 -18.472
  588    H    SER  72           H        SER  72   4.544 -12.588 -14.875
  589    HA   SER  72           HA       SER  72   2.159 -11.944 -16.552
  590   1HB   SER  72          2HB       SER  72   0.907 -13.081 -14.652
  591   2HB   SER  72          1HB       SER  72   1.976 -14.128 -15.578
  592    HG   SER  72           HG       SER  72   3.216 -14.351 -13.879
  593   1HC   CH3  25          1H        LEU  25  -0.941  -2.123 -11.271
  594   2HC   CH3  25          2H        LEU  25   0.668  -2.630 -10.757
  595   3HC   CH3  25          3H        LEU  25  -0.352  -3.736 -11.675
   
  Start of MODEL           7
 Raw file had  595 H/Q atoms
  Start of MODEL    7
    1   1H    GLU   4          2H        GLU   4  -9.796  15.509 -10.874
    2   2H    GLU   4          1H        GLU   4 -10.848  16.427  -9.903
    3   3H    GLU   4          3H        GLU   4  -9.387  17.100 -10.442
    4    HA   GLU   4           HA       GLU   4  -8.115  15.565  -9.111
    5   1HB   GLU   4          2HB       GLU   4 -10.287  17.191  -7.811
    6   2HB   GLU   4          1HB       GLU   4  -9.193  16.235  -6.812
    7   1HG   GLU   4          2HG       GLU   4  -7.824  18.043  -6.923
    8   2HG   GLU   4          1HG       GLU   4  -7.441  17.461  -8.542
    9    H    LEU   5           H        LEU   5  -8.234  13.949  -7.298
   10    HA   LEU   5           HA       LEU   5 -10.702  12.267  -7.413
   11   1HB   LEU   5          2HB       LEU   5  -9.236  10.237  -7.369
   12   2HB   LEU   5          1HB       LEU   5  -9.079  11.168  -8.855
   13    HG   LEU   5           HG       LEU   5  -7.184  12.275  -7.091
   14   1HD1  LEU   5          1HD1      LEU   5  -7.687   9.990  -5.877
   15   2HD1  LEU   5          3HD1      LEU   5  -6.694   9.313  -7.167
   16   3HD1  LEU   5          2HD1      LEU   5  -6.020  10.527  -6.081
   17   1HD2  LEU   5          1HD2      LEU   5  -6.930  10.300  -9.380
   18   2HD2  LEU   5          3HD2      LEU   5  -6.873  12.059  -9.489
   19   3HD2  LEU   5          2HD2      LEU   5  -5.571  11.183  -8.685
   20    NH1  ARG   6           NH1      ARG   6 -12.428  16.450  -1.664
   21    NH2  ARG   6           NH2      ARG   6 -12.999  15.620   0.369
   22    H    ARG   6           H        ARG   6 -11.484  11.974  -5.382
   23    HA   ARG   6           HA       ARG   6 -10.094  12.863  -3.038
   24   1HB   ARG   6          2HB       ARG   6 -12.571  11.200  -3.482
   25   2HB   ARG   6          1HB       ARG   6 -11.960  11.518  -1.865
   26   1HG   ARG   6          2HG       ARG   6 -11.893  14.029  -2.812
   27   2HG   ARG   6          1HG       ARG   6 -13.195  13.394  -3.819
   28   1HD   ARG   6          2HD       ARG   6 -14.520  12.814  -1.930
   29   2HD   ARG   6          1HD       ARG   6 -13.159  12.994  -0.824
   30    HE   ARG   6           HE       ARG   6 -14.864  15.146  -1.793
   31   1HH1  ARG   6          2HH1      ARG   6 -12.537  16.454  -2.659
   32   2HH1  ARG   6          1HH1      ARG   6 -11.777  17.073  -1.230
   33   1HH2  ARG   6          1HH2      ARG   6 -13.542  14.992   0.927
   34   2HH2  ARG   6          2HH2      ARG   6 -12.349  16.241   0.808
   35    H    CYS   7           H        CYS   7  -9.952  11.216  -1.080
   36    HA   CYS   7           HA       CYS   7  -7.905   9.288  -1.751
   37   1HB   CYS   7          2HB       CYS   7  -9.442   9.438   0.853
   38   2HB   CYS   7          1HB       CYS   7  -7.805   8.847   0.594
   39    H    GLN   8           H        GLN   8  -8.472   7.479  -2.866
   40    HA   GLN   8           HA       GLN   8 -11.067   6.280  -2.853
   41   1HB   GLN   8          2HB       GLN   8  -8.372   5.128  -3.633
   42   2HB   GLN   8          1HB       GLN   8  -9.927   4.391  -4.003
   43   1HG   GLN   8          2HG       GLN   8  -9.552   7.245  -4.788
   44   2HG   GLN   8          1HG       GLN   8  -8.700   6.026  -5.734
   45   1HE2  GLN   8          2HE2      GLN   8 -11.626   4.863  -7.343
   46   2HE2  GLN   8          1HE2      GLN   8  -9.946   4.706  -7.165
   47    H    CYS   9           H        CYS   9  -8.334   5.920  -0.691
   48    HA   CYS   9           HA       CYS   9  -9.804   3.711   0.695
   49   1HB   CYS   9          2HB       CYS   9  -6.997   3.892  -0.174
   50   2HB   CYS   9          1HB       CYS   9  -7.194   3.412   1.510
   51    H    ILE  10           H        ILE  10 -10.655   4.561   2.522
   52    HA   ILE  10           HA       ILE  10  -9.607   6.915   3.843
   53    HB   ILE  10           HB       ILE  10 -11.491   4.777   4.909
   54   1HG1  ILE  10          2HG1      ILE  10 -12.572   7.405   4.141
   55   2HG1  ILE  10          1HG1      ILE  10 -11.907   6.499   2.781
   56   1HG2  ILE  10          1HG2      ILE  10 -10.941   7.615   5.833
   57   2HG2  ILE  10          3HG2      ILE  10 -12.201   6.563   6.479
   58   3HG2  ILE  10          2HG2      ILE  10 -10.503   6.142   6.699
   59   1HD1  ILE  10          1HD1      ILE  10 -13.689   5.086   4.738
   60   2HD1  ILE  10          3HD1      ILE  10 -14.415   6.127   3.513
   61   3HD1  ILE  10          2HD1      ILE  10 -13.424   4.751   3.026
   62    H    LYS  11           H        LYS  11  -9.136   3.447   4.170
   63    HA   LYS  11           HA       LYS  11  -6.987   3.960   6.188
   64   1HB   LYS  11          2HB       LYS  11  -9.132   1.838   6.144
   65   2HB   LYS  11          1HB       LYS  11  -7.588   1.525   6.938
   66   1HG   LYS  11          2HG       LYS  11  -7.918   3.219   8.532
   67   2HG   LYS  11          1HG       LYS  11  -9.124   4.044   7.542
   68   1HD   LYS  11          2HD       LYS  11 -10.607   2.007   7.838
   69   2HD   LYS  11          1HD       LYS  11  -9.447   1.429   9.034
   70   1HE   LYS  11          2HE       LYS  11 -10.470   4.228   9.307
   71   2HE   LYS  11          1HE       LYS  11 -11.546   2.904   9.752
   72   1HZ   LYS  11          1HZ       LYS  11  -8.796   3.320  10.798
   73   2HZ   LYS  11          3HZ       LYS  11 -10.231   3.656  11.637
   74   3HZ   LYS  11          2HZ       LYS  11  -9.841   2.052  11.232
   75    H    THR  12           H        THR  12  -5.100   2.610   5.898
   76    HA   THR  12           HA       THR  12  -4.992   1.362   3.190
   77    HB   THR  12           HB       THR  12  -2.379   1.554   3.973
   78    HG1  THR  12           HG1      THR  12  -2.138   3.559   4.925
   79   1HG2  THR  12          3HG2      THR  12  -4.125   3.538   2.512
   80   2HG2  THR  12          2HG2      THR  12  -2.361   3.554   2.478
   81   3HG2  THR  12          1HG2      THR  12  -3.244   2.179   1.813
   82    OH   TYR  13           OH       TYR  13  -3.343  -8.357   4.401
   83    H    TYR  13           H        TYR  13  -2.879  -0.223   3.272
   84    HA   TYR  13           HA       TYR  13  -3.749  -2.403   5.072
   85   1HB   TYR  13          2HB       TYR  13  -3.370  -2.540   2.477
   86   2HB   TYR  13          1HB       TYR  13  -1.672  -2.667   2.922
   87    HD1  TYR  13           HD1      TYR  13  -4.465  -3.969   4.967
   88    HD2  TYR  13           HD2      TYR  13  -1.310  -4.902   2.212
   89    HE1  TYR  13           HE1      TYR  13  -4.748  -6.389   5.475
   90    HE2  TYR  13           HE2      TYR  13  -1.587  -7.326   2.714
   91    HH   TYR  13           HH       TYR  13  -3.993  -8.712   3.789
   92    H    SER  14           H        SER  14  -2.552  -2.982   6.803
   93    HA   SER  14           HA       SER  14   0.186  -1.822   7.096
   94   1HB   SER  14          2HB       SER  14  -1.749  -2.935   9.152
   95   2HB   SER  14          1HB       SER  14  -0.114  -2.397   9.523
   96    HG   SER  14           HG       SER  14  -2.386  -0.938   8.830
   97    H    LYS  15           H        LYS  15  -1.630  -4.855   7.068
   98    HA   LYS  15           HA       LYS  15   0.634  -6.495   7.868
   99   1HB   LYS  15          2HB       LYS  15  -1.440  -7.770   6.202
  100   2HB   LYS  15          1HB       LYS  15  -0.791  -8.271   7.746
  101   1HG   LYS  15          2HG       LYS  15  -2.131  -6.304   8.751
  102   2HG   LYS  15          1HG       LYS  15  -2.996  -6.287   7.214
  103   1HD   LYS  15          2HD       LYS  15  -3.438  -8.763   7.553
  104   2HD   LYS  15          1HD       LYS  15  -2.804  -8.575   9.188
  105   1HE   LYS  15          2HE       LYS  15  -4.982  -6.747   8.194
  106   2HE   LYS  15          1HE       LYS  15  -5.381  -8.354   8.800
  107   1HZ   LYS  15          2HZ       LYS  15  -3.852  -6.283  10.285
  108   2HZ   LYS  15          1HZ       LYS  15  -5.481  -6.686  10.549
  109   3HZ   LYS  15          3HZ       LYS  15  -4.264  -7.824  10.869
  110    HA   PRO  16           HA       PRO  16   2.530  -6.457   3.880
  111   1HB   PRO  16          2HB       PRO  16   4.465  -8.296   4.456
  112   2HB   PRO  16          1HB       PRO  16   4.503  -6.636   5.032
  113   1HG   PRO  16          2HG       PRO  16   3.951  -9.121   6.556
  114   2HG   PRO  16          1HG       PRO  16   4.496  -7.544   7.149
  115   1HD   PRO  16          2HD       PRO  16   1.827  -8.600   7.237
  116   2HD   PRO  16          1HD       PRO  16   2.349  -6.978   7.727
  117    H    PHE  17           H        PHE  17   2.946  -7.915   2.055
  118    HA   PHE  17           HA       PHE  17   2.133 -10.702   2.193
  119   1HB   PHE  17          2HB       PHE  17   0.148 -10.629   0.859
  120   2HB   PHE  17          1HB       PHE  17  -0.076  -9.473   2.161
  121    HD1  PHE  17           HD2      PHE  17   0.551  -6.980   1.630
  122    HD2  PHE  17           HD1      PHE  17  -0.169  -9.980  -1.360
  123    HE1  PHE  17           HE2      PHE  17   0.094  -5.209  -0.044
  124    HE2  PHE  17           HE1      PHE  17  -0.631  -8.207  -3.028
  125    HZ   PHE  17           HZ       PHE  17  -0.499  -5.821  -2.369
  126    H    HIS  18           H        HIS  18   2.468 -11.831   0.159
  127    HA   HIS  18           HA       HIS  18   4.763 -10.899  -1.274
  128   1HB   HIS  18          2HB       HIS  18   4.520 -13.221  -1.015
  129   2HB   HIS  18          1HB       HIS  18   2.868 -13.198  -1.615
  130    HD1  HIS  18           HD1      HIS  18   6.432 -13.214  -2.766
  131    HD2  HIS  18           HD2      HIS  18   2.629 -12.936  -4.376
  132    HE1  HIS  18           HE1      HIS  18   6.684 -13.504  -5.280
  133    HA   PRO  19           HA       PRO  19   2.924  -8.256  -4.233
  134   1HB   PRO  19          2HB       PRO  19   5.074  -8.025  -5.907
  135   2HB   PRO  19          1HB       PRO  19   4.948  -7.228  -4.332
  136   1HG   PRO  19          2HG       PRO  19   6.561  -9.613  -5.106
  137   2HG   PRO  19          1HG       PRO  19   6.872  -8.412  -3.844
  138   1HD   PRO  19          2HD       PRO  19   5.828 -10.997  -3.431
  139   2HD   PRO  19          1HD       PRO  19   5.803  -9.672  -2.252
  140    H    LYS  20           H        LYS  20   4.605 -11.075  -5.745
  141    HA   LYS  20           HA       LYS  20   3.650 -10.744  -8.343
  142   1HB   LYS  20          2HB       LYS  20   5.193 -12.598  -7.396
  143   2HB   LYS  20          1HB       LYS  20   3.691 -13.493  -7.246
  144   1HG   LYS  20          2HG       LYS  20   4.457 -14.076  -9.399
  145   2HG   LYS  20          1HG       LYS  20   3.258 -12.818  -9.705
  146   1HD   LYS  20          2HD       LYS  20   4.993 -11.137  -9.932
  147   2HD   LYS  20          1HD       LYS  20   6.232 -12.292  -9.443
  148   1HE   LYS  20          2HE       LYS  20   4.523 -13.077 -11.749
  149   2HE   LYS  20          1HE       LYS  20   5.680 -11.777 -12.031
  150   1HZ   LYS  20          3HZ       LYS  20   7.433 -13.211 -11.170
  151   2HZ   LYS  20          2HZ       LYS  20   6.311 -14.466 -10.930
  152   3HZ   LYS  20          1HZ       LYS  20   6.662 -13.924 -12.502
  153    H    PHE  21           H        PHE  21   1.750 -11.774  -5.569
  154    HA   PHE  21           HA       PHE  21  -0.453 -12.939  -6.957
  155   1HB   PHE  21          2HB       PHE  21  -0.616 -11.275  -4.474
  156   2HB   PHE  21          1HB       PHE  21  -1.763 -12.482  -4.996
  157    HD1  PHE  21           HD1      PHE  21   0.536 -14.452  -5.939
  158    HD2  PHE  21           HD2      PHE  21  -0.285 -12.319  -2.301
  159    HE1  PHE  21           HE1      PHE  21   1.771 -16.170  -4.647
  160    HE2  PHE  21           HE2      PHE  21   0.950 -14.034  -1.012
  161    HZ   PHE  21           HZ       PHE  21   1.978 -15.963  -2.186
  162    H    ILE  22           H        ILE  22   0.369  -9.619  -6.118
  163    HA   ILE  22           HA       ILE  22  -2.006  -8.300  -6.934
  164    HB   ILE  22           HB       ILE  22   0.864  -7.316  -7.119
  165   1HG1  ILE  22          2HG1      ILE  22  -1.022  -6.606  -4.900
  166   2HG1  ILE  22          1HG1      ILE  22  -0.224  -8.178  -4.851
  167   1HG2  ILE  22          2HG2      ILE  22  -1.813  -6.010  -7.394
  168   2HG2  ILE  22          1HG2      ILE  22  -0.505  -5.101  -6.639
  169   3HG2  ILE  22          3HG2      ILE  22  -0.324  -5.705  -8.286
  170   1HD1  ILE  22          3HD1      ILE  22   1.926  -6.726  -5.422
  171   2HD1  ILE  22          2HD1      ILE  22   0.973  -5.442  -4.679
  172   3HD1  ILE  22          1HD1      ILE  22   1.364  -6.894  -3.758
  173    H    LYS  23           H        LYS  23  -2.935  -8.496  -8.905
  174    HA   LYS  23           HA       LYS  23  -1.386  -9.155 -11.292
  175   1HB   LYS  23          2HB       LYS  23  -4.299  -8.511 -10.780
  176   2HB   LYS  23          1HB       LYS  23  -3.668  -8.784 -12.399
  177   1HG   LYS  23          2HG       LYS  23  -3.248 -10.766 -10.157
  178   2HG   LYS  23          1HG       LYS  23  -4.658 -10.828 -11.213
  179   1HD   LYS  23          2HD       LYS  23  -1.900 -10.692 -12.407
  180   2HD   LYS  23          1HD       LYS  23  -2.537 -12.234 -11.838
  181   1HE   LYS  23          2HE       LYS  23  -4.643 -11.633 -13.240
  182   2HE   LYS  23          1HE       LYS  23  -3.594 -10.458 -14.033
  183   1HZ   LYS  23          3HZ       LYS  23  -2.022 -12.322 -14.450
  184   2HZ   LYS  23          2HZ       LYS  23  -3.206 -13.396 -13.874
  185   3HZ   LYS  23          1HZ       LYS  23  -3.500 -12.468 -15.266
  186    H    GLU  24           H        GLU  24  -2.721  -6.271  -9.781
  187    HA   GLU  24           HA       GLU  24  -1.337  -4.614 -11.825
  188   1HB   GLU  24          2HB       GLU  24  -4.269  -4.485 -11.118
  189   2HB   GLU  24          1HB       GLU  24  -3.417  -3.063 -11.718
  190   1HG   GLU  24          2HG       GLU  24  -2.929  -4.086 -13.796
  191   2HG   GLU  24          1HG       GLU  24  -3.289  -5.700 -13.181
  192    HA   LEU  25           HA       LEU  25  -0.904  -2.549  -7.855
  193   1HB   LEU  25          2HB       LEU  25   1.015  -3.918  -7.466
  194   2HB   LEU  25          1HB       LEU  25   1.900  -3.192  -8.807
  195    HG   LEU  25           HG       LEU  25   1.007  -1.219  -6.820
  196   1HD1  LEU  25          2HD1      LEU  25   1.753  -3.551  -5.646
  197   2HD1  LEU  25          1HD1      LEU  25   3.320  -2.763  -5.823
  198   3HD1  LEU  25          3HD1      LEU  25   2.026  -1.962  -4.933
  199   1HD2  LEU  25          3HD2      LEU  25   3.204  -1.722  -8.655
  200   2HD2  LEU  25          2HD2      LEU  25   2.679  -0.198  -7.939
  201   3HD2  LEU  25          1HD2      LEU  25   3.808  -1.235  -7.070
  202    NH1  ARG  26           NH2      ARG  26  -3.698   3.939 -11.914
  203    NH2  ARG  26           NH1      ARG  26  -4.567   2.417 -13.355
  204    H    ARG  26           H        ARG  26  -1.730  -0.499  -8.348
  205    HA   ARG  26           HA       ARG  26   0.175   1.306  -9.760
  206   1HB   ARG  26          2HB       ARG  26  -1.776   2.620 -10.529
  207   2HB   ARG  26          1HB       ARG  26  -1.876   0.949 -11.077
  208   1HG   ARG  26          2HG       ARG  26  -3.206   0.703  -8.745
  209   2HG   ARG  26          1HG       ARG  26  -3.557   2.397  -9.087
  210   1HD   ARG  26          2HD       ARG  26  -3.853   0.457 -11.337
  211   2HD   ARG  26          1HD       ARG  26  -5.074   0.416 -10.065
  212    HE   ARG  26           HE       ARG  26  -5.822   2.564 -10.764
  213   1HH1  ARG  26          1HH2      ARG  26  -3.581   4.280 -10.980
  214   2HH1  ARG  26          2HH2      ARG  26  -3.267   4.422 -12.678
  215   1HH2  ARG  26          2HH1      ARG  26  -5.114   1.596 -13.523
  216   2HH2  ARG  26          1HH1      ARG  26  -4.138   2.896 -14.123
  217    H    VAL  27           H        VAL  27   0.828   3.110  -8.659
  218    HA   VAL  27           HA       VAL  27  -0.318   3.552  -5.956
  219    HB   VAL  27           HB       VAL  27   1.733   5.151  -5.824
  220   1HG1  VAL  27          2HG1      VAL  27   1.510   2.982  -4.653
  221   2HG1  VAL  27          1HG1      VAL  27   2.140   2.160  -6.079
  222   3HG1  VAL  27          3HG1      VAL  27   3.167   3.274  -5.176
  223   1HG2  VAL  27          1HG2      VAL  27   2.062   4.894  -8.395
  224   2HG2  VAL  27          3HG2      VAL  27   3.490   4.843  -7.362
  225   3HG2  VAL  27          2HG2      VAL  27   2.801   3.346  -7.989
  226    H    ILE  28           H        ILE  28  -0.949   5.688  -5.268
  227    HA   ILE  28           HA       ILE  28  -1.867   7.404  -7.536
  228    HB   ILE  28           HB       ILE  28  -2.717   7.526  -4.626
  229   1HG1  ILE  28          2HG1      ILE  28  -3.294   5.322  -5.496
  230   2HG1  ILE  28          1HG1      ILE  28  -4.756   6.301  -5.398
  231   1HG2  ILE  28          1HG2      ILE  28  -3.689   8.772  -7.192
  232   2HG2  ILE  28          3HG2      ILE  28  -4.779   8.564  -5.822
  233   3HG2  ILE  28          2HG2      ILE  28  -3.329   9.553  -5.653
  234   1HD1  ILE  28          1HD1      ILE  28  -3.899   6.898  -7.927
  235   2HD1  ILE  28          3HD1      ILE  28  -3.368   5.223  -7.774
  236   3HD1  ILE  28          2HD1      ILE  28  -5.068   5.632  -7.552
  237    H    GLU  29           H        GLU  29  -1.685   9.784  -7.218
  238    HA   GLU  29           HA       GLU  29   0.911  10.468  -5.973
  239   1HB   GLU  29          2HB       GLU  29  -0.917  11.790  -7.963
  240   2HB   GLU  29          1HB       GLU  29   0.300  12.741  -7.123
  241   1HG   GLU  29          2HG       GLU  29   1.004  10.160  -8.521
  242   2HG   GLU  29          1HG       GLU  29   0.986  11.702  -9.379
  243    H    SER  30           H        SER  30   0.775  12.918  -5.062
  244    HA   SER  30           HA       SER  30  -1.411  12.885  -3.027
  245   1HB   SER  30          2HB       SER  30   0.346  14.577  -1.937
  246   2HB   SER  30          1HB       SER  30   0.490  12.839  -1.726
  247    HG   SER  30           HG       SER  30   2.074  14.602  -3.107
  248    H    GLY  31           H        GLY  31  -2.170  15.059  -2.321
  249   1HA   GLY  31          2HA       GLY  31  -1.662  17.482  -3.707
  250   2HA   GLY  31          1HA       GLY  31  -2.997  16.681  -4.527
  251    HA   PRO  32           HA       PRO  32  -4.905  19.012  -1.034
  252   1HB   PRO  32          2HB       PRO  32  -6.980  19.995  -2.558
  253   2HB   PRO  32          1HB       PRO  32  -5.426  20.826  -2.367
  254   1HG   PRO  32          2HG       PRO  32  -6.455  19.272  -4.706
  255   2HG   PRO  32          1HG       PRO  32  -5.323  20.634  -4.674
  256   1HD   PRO  32          2HD       PRO  32  -4.593  17.939  -4.980
  257   2HD   PRO  32          1HD       PRO  32  -3.493  19.249  -4.499
  258    H    HIS  33           H        HIS  33  -6.276  17.037  -3.612
  259    HA   HIS  33           HA       HIS  33  -8.695  16.178  -2.406
  260   1HB   HIS  33          2HB       HIS  33  -8.466  14.195  -3.925
  261   2HB   HIS  33          1HB       HIS  33  -8.211  15.722  -4.762
  262    HD1  HIS  33           HD1      HIS  33  -5.718  16.335  -5.399
  263    HD2  HIS  33           HD2      HIS  33  -6.178  12.520  -3.785
  264    HE1  HIS  33           HE1      HIS  33  -3.512  15.145  -5.745
  265    H    CYS  34           H        CYS  34  -5.370  15.057  -2.021
  266    HA   CYS  34           HA       CYS  34  -6.051  13.705   0.458
  267   1HB   CYS  34          2HB       CYS  34  -6.202  12.136  -1.759
  268   2HB   CYS  34          1HB       CYS  34  -4.492  11.965  -1.369
  269    H    ALA  35           H        ALA  35  -4.580  14.936   1.595
  270    HA   ALA  35           HA       ALA  35  -2.075  15.872   0.657
  271   1HB   ALA  35          3HB       ALA  35  -3.176  15.364   3.414
  272   2HB   ALA  35          2HB       ALA  35  -1.529  15.954   3.190
  273   3HB   ALA  35          1HB       ALA  35  -2.896  16.908   2.610
  274    H    ASN  36           H        ASN  36  -2.860  12.865   2.395
  275    HA   ASN  36           HA       ASN  36  -0.034  12.028   2.352
  276   1HB   ASN  36          2HB       ASN  36  -2.563  11.000   3.571
  277   2HB   ASN  36          1HB       ASN  36  -1.277   9.838   3.253
  278   1HD2  ASN  36          2HD2      ASN  36  -0.960  11.873   6.583
  279   2HD2  ASN  36          1HD2      ASN  36  -2.396  11.425   5.798
  280    H    THR  37           H        THR  37   0.845  10.746   0.798
  281    HA   THR  37           HA       THR  37  -0.674  10.017  -1.562
  282    HB   THR  37           HB       THR  37   2.015   8.843  -0.840
  283    HG1  THR  37           HG1      THR  37   2.724  10.799  -0.671
  284   1HG2  THR  37          3HG2      THR  37   0.536   9.577  -3.356
  285   2HG2  THR  37          2HG2      THR  37   2.289   9.391  -3.361
  286   3HG2  THR  37          1HG2      THR  37   1.259   8.032  -2.912
  287    H    GLU  38           H        GLU  38  -0.973   7.723  -2.320
  288    HA   GLU  38           HA       GLU  38  -0.881   5.690  -0.156
  289   1HB   GLU  38          2HB       GLU  38  -3.197   7.085  -0.547
  290   2HB   GLU  38          1HB       GLU  38  -3.432   5.723  -1.643
  291   1HG   GLU  38          2HG       GLU  38  -3.550   4.199   0.055
  292   2HG   GLU  38          1HG       GLU  38  -2.349   5.042   1.033
  293    H    ILE  39           H        ILE  39  -0.823   3.553  -0.929
  294    HA   ILE  39           HA       ILE  39  -0.261   3.303  -3.842
  295    HB   ILE  39           HB       ILE  39   0.250   1.422  -1.507
  296   1HG1  ILE  39          2HG1      ILE  39   2.532   2.405  -3.056
  297   2HG1  ILE  39          1HG1      ILE  39   1.623   3.715  -2.301
  298   1HG2  ILE  39          1HG2      ILE  39   0.783   1.165  -4.470
  299   2HG2  ILE  39          3HG2      ILE  39   1.728   0.272  -3.279
  300   3HG2  ILE  39          2HG2      ILE  39  -0.012   0.011  -3.398
  301   1HD1  ILE  39          3HD1      ILE  39   1.778   1.726  -0.330
  302   2HD1  ILE  39          2HD1      ILE  39   3.378   1.756  -1.071
  303   3HD1  ILE  39          1HD1      ILE  39   2.697   3.229  -0.383
  304    H    ILE  40           H        ILE  40  -1.197   1.335  -4.941
  305    HA   ILE  40           HA       ILE  40  -3.646   0.234  -3.700
  306    HB   ILE  40           HB       ILE  40  -3.732   1.585  -6.419
  307   1HG1  ILE  40          2HG1      ILE  40  -4.976   2.441  -3.783
  308   2HG1  ILE  40          1HG1      ILE  40  -3.587   3.212  -4.542
  309   1HG2  ILE  40          1HG2      ILE  40  -5.216  -0.396  -6.120
  310   2HG2  ILE  40          3HG2      ILE  40  -5.922   0.373  -4.698
  311   3HG2  ILE  40          2HG2      ILE  40  -6.133   1.099  -6.291
  312   1HD1  ILE  40          3HD1      ILE  40  -4.991   3.685  -6.551
  313   2HD1  ILE  40          2HD1      ILE  40  -6.381   3.007  -5.704
  314   3HD1  ILE  40          1HD1      ILE  40  -5.607   4.470  -5.097
  315    H    VAL  41           H        VAL  41  -3.919  -1.864  -4.297
  316    HA   VAL  41           HA       VAL  41  -2.490  -2.871  -6.689
  317    HB   VAL  41           HB       VAL  41  -1.853  -4.864  -5.351
  318   1HG1  VAL  41          3HG1      VAL  41  -0.314  -2.917  -5.719
  319   2HG1  VAL  41          2HG1      VAL  41  -0.817  -2.296  -4.147
  320   3HG1  VAL  41          1HG1      VAL  41   0.037  -3.835  -4.255
  321   1HG2  VAL  41          2HG2      VAL  41  -3.696  -4.118  -3.552
  322   2HG2  VAL  41          1HG2      VAL  41  -2.309  -5.115  -3.115
  323   3HG2  VAL  41          3HG2      VAL  41  -2.275  -3.377  -2.815
  324    H    LYS  42           H        LYS  42  -3.344  -5.063  -7.324
  325    HA   LYS  42           HA       LYS  42  -6.160  -5.494  -6.436
  326   1HB   LYS  42          2HB       LYS  42  -5.211  -4.716  -9.076
  327   2HB   LYS  42          1HB       LYS  42  -6.060  -6.261  -9.138
  328   1HG   LYS  42          2HG       LYS  42  -7.815  -5.021  -7.606
  329   2HG   LYS  42          1HG       LYS  42  -7.087  -3.569  -8.294
  330   1HD   LYS  42          2HD       LYS  42  -7.655  -4.211 -10.517
  331   2HD   LYS  42          1HD       LYS  42  -8.039  -5.860 -10.022
  332   1HE   LYS  42          2HE       LYS  42  -9.591  -3.800  -8.602
  333   2HE   LYS  42          1HE       LYS  42  -9.891  -3.848 -10.339
  334   1HZ   LYS  42          1HZ       LYS  42 -10.266  -6.253 -10.136
  335   2HZ   LYS  42          3HZ       LYS  42 -10.075  -6.137  -8.454
  336   3HZ   LYS  42          2HZ       LYS  42 -11.372  -5.348  -9.216
  337    H    LEU  43           H        LEU  43  -5.663  -7.345  -5.233
  338    HA   LEU  43           HA       LEU  43  -3.851  -9.394  -5.852
  339   1HB   LEU  43          2HB       LEU  43  -6.484  -9.455  -4.390
  340   2HB   LEU  43          1HB       LEU  43  -5.449 -10.858  -4.511
  341    HG   LEU  43           HG       LEU  43  -4.512  -8.189  -3.433
  342   1HD1  LEU  43          3HD1      LEU  43  -6.340  -9.426  -2.085
  343   2HD1  LEU  43          2HD1      LEU  43  -5.105 -10.650  -1.787
  344   3HD1  LEU  43          1HD1      LEU  43  -4.858  -8.994  -1.233
  345   1HD2  LEU  43          1HD2      LEU  43  -3.320 -10.945  -3.703
  346   2HD2  LEU  43          3HD2      LEU  43  -2.609  -9.386  -4.121
  347   3HD2  LEU  43          2HD2      LEU  43  -2.761  -9.860  -2.430
  348    H    SER  44           H        SER  44  -3.937 -11.224  -7.077
  349    HA   SER  44           HA       SER  44  -5.480 -11.337  -9.427
  350   1HB   SER  44          2HB       SER  44  -3.290 -12.578  -8.822
  351   2HB   SER  44          1HB       SER  44  -4.346 -13.805  -8.126
  352    HG   SER  44           HG       SER  44  -4.805 -14.442 -10.071
  353    H    ASP  45           H        ASP  45  -6.233 -12.527  -6.214
  354    HA   ASP  45           HA       ASP  45  -8.274 -14.375  -6.996
  355   1HB   ASP  45          2HB       ASP  45  -9.105 -13.982  -4.588
  356   2HB   ASP  45          1HB       ASP  45  -7.489 -14.654  -4.785
  357    H    GLY  46           H        GLY  46  -8.172 -10.973  -7.153
  358   1HA   GLY  46          2HA       GLY  46  -9.961  -9.754  -8.263
  359   2HA   GLY  46          1HA       GLY  46 -11.115 -10.894  -7.574
  360    NH1  ARG  47           NH1      ARG  47 -10.373  -8.888   1.681
  361    NH2  ARG  47           NH2      ARG  47 -12.012 -10.042   0.622
  362    H    ARG  47           H        ARG  47  -8.480  -9.372  -5.745
  363    HA   ARG  47           HA       ARG  47 -10.593  -7.943  -4.159
  364   1HB   ARG  47          2HB       ARG  47  -9.278  -9.849  -3.053
  365   2HB   ARG  47          1HB       ARG  47  -7.878  -8.783  -3.130
  366   1HG   ARG  47          2HG       ARG  47  -8.900  -8.517  -0.952
  367   2HG   ARG  47          1HG       ARG  47  -9.224  -7.054  -1.877
  368   1HD   ARG  47          2HD       ARG  47 -11.475  -7.659  -2.273
  369   2HD   ARG  47          1HD       ARG  47 -11.182  -9.349  -1.862
  370    HE   ARG  47           HE       ARG  47 -11.621  -7.153   0.054
  371   1HH1  ARG  47          2HH1      ARG  47  -9.778  -8.086   1.742
  372   2HH1  ARG  47          1HH1      ARG  47 -10.309  -9.610   2.371
  373   1HH2  ARG  47          1HH2      ARG  47 -12.670 -10.123  -0.127
  374   2HH2  ARG  47          2HH2      ARG  47 -11.950 -10.765   1.310
  375    H    GLU  48           H        GLU  48  -9.902  -5.869  -3.201
  376    HA   GLU  48           HA       GLU  48  -7.673  -4.554  -4.703
  377   1HB   GLU  48          2HB       GLU  48 -10.168  -3.929  -5.307
  378   2HB   GLU  48          1HB       GLU  48 -10.088  -3.000  -3.810
  379   1HG   GLU  48          2HG       GLU  48  -8.235  -1.702  -4.611
  380   2HG   GLU  48          1HG       GLU  48  -8.007  -2.767  -5.998
  381    H    LEU  49           H        LEU  49  -6.118  -4.026  -3.236
  382    HA   LEU  49           HA       LEU  49  -7.008  -3.084  -0.531
  383   1HB   LEU  49          2HB       LEU  49  -5.336  -5.366  -1.224
  384   2HB   LEU  49          1HB       LEU  49  -4.474  -4.216  -0.203
  385    HG   LEU  49           HG       LEU  49  -6.664  -4.229   1.228
  386   1HD1  LEU  49          2HD1      LEU  49  -6.962  -6.596  -0.589
  387   2HD1  LEU  49          1HD1      LEU  49  -7.515  -6.730   1.081
  388   3HD1  LEU  49          3HD1      LEU  49  -8.198  -5.496   0.022
  389   1HD2  LEU  49          3HD2      LEU  49  -4.351  -5.184   1.774
  390   2HD2  LEU  49          2HD2      LEU  49  -5.709  -5.935   2.610
  391   3HD2  LEU  49          1HD2      LEU  49  -4.971  -6.741   1.225
  392    H    CYS  50           H        CYS  50  -6.241  -1.052  -0.150
  393    HA   CYS  50           HA       CYS  50  -4.046   0.009  -1.789
  394   1HB   CYS  50          2HB       CYS  50  -5.324   1.444   0.468
  395   2HB   CYS  50          1HB       CYS  50  -4.590   2.116  -0.960
  396    H    LEU  51           H        LEU  51  -1.994   0.348  -0.983
  397    HA   LEU  51           HA       LEU  51  -1.436  -0.898   1.626
  398   1HB   LEU  51          2HB       LEU  51   0.456  -0.136  -0.589
  399   2HB   LEU  51          1HB       LEU  51   0.863  -1.045   0.848
  400    HG   LEU  51           HG       LEU  51  -0.779  -1.909  -1.515
  401   1HD1  LEU  51          3HD1      LEU  51   1.684  -2.426  -1.203
  402   2HD1  LEU  51          2HD1      LEU  51   1.220  -3.401   0.192
  403   3HD1  LEU  51          1HD1      LEU  51   0.644  -3.834  -1.418
  404   1HD2  LEU  51          1HD2      LEU  51  -0.947  -3.026   1.304
  405   2HD2  LEU  51          3HD2      LEU  51  -2.276  -2.378   0.343
  406   3HD2  LEU  51          2HD2      LEU  51  -1.505  -3.891  -0.127
  407    H    ASP  52           H        ASP  52   0.148   0.003   3.012
  408    HA   ASP  52           HA       ASP  52   0.076   2.983   3.089
  409   1HB   ASP  52          2HB       ASP  52  -0.976   1.706   4.982
  410   2HB   ASP  52          1HB       ASP  52   0.596   1.002   5.329
  411    HA   PRO  53           HA       PRO  53   4.407   2.445   2.054
  412   1HB   PRO  53          2HB       PRO  53   4.910   5.141   1.780
  413   2HB   PRO  53          1HB       PRO  53   4.193   4.125   0.517
  414   1HG   PRO  53          2HG       PRO  53   2.860   6.103   2.324
  415   2HG   PRO  53          1HG       PRO  53   2.429   5.620   0.674
  416   1HD   PRO  53          2HD       PRO  53   1.137   4.722   2.990
  417   2HD   PRO  53          1HD       PRO  53   1.071   3.913   1.410
  418    H    LYS  54           H        LYS  54   3.048   3.752   4.883
  419    HA   LYS  54           HA       LYS  54   5.329   4.935   6.102
  420   1HB   LYS  54          2HB       LYS  54   2.675   4.019   6.958
  421   2HB   LYS  54          1HB       LYS  54   3.908   3.876   8.207
  422   1HG   LYS  54          2HG       LYS  54   2.952   6.076   8.412
  423   2HG   LYS  54          1HG       LYS  54   4.554   6.275   7.703
  424   1HD   LYS  54          2HD       LYS  54   3.713   6.801   5.600
  425   2HD   LYS  54          1HD       LYS  54   2.204   5.929   5.871
  426   1HE   LYS  54          2HE       LYS  54   2.660   8.196   7.711
  427   2HE   LYS  54          1HE       LYS  54   2.453   8.652   6.020
  428   1HZ   LYS  54          1HZ       LYS  54   0.606   6.882   7.532
  429   2HZ   LYS  54          3HZ       LYS  54   0.344   8.533   7.249
  430   3HZ   LYS  54          2HZ       LYS  54   0.393   7.447   5.943
  431    H    GLU  55           H        GLU  55   4.401   1.577   5.582
  432    HA   GLU  55           HA       GLU  55   6.313   0.560   7.561
  433   1HB   GLU  55          2HB       GLU  55   4.594  -0.752   5.448
  434   2HB   GLU  55          1HB       GLU  55   5.739  -1.648   6.427
  435   1HG   GLU  55          2HG       GLU  55   3.723  -1.866   7.610
  436   2HG   GLU  55          1HG       GLU  55   4.563  -0.573   8.453
  437    H    ASN  56           H        ASN  56   7.947  -1.079   6.712
  438    HA   ASN  56           HA       ASN  56   9.461   0.173   4.502
  439   1HB   ASN  56          2HB       ASN  56  10.131  -1.222   6.913
  440   2HB   ASN  56          1HB       ASN  56  10.885  -2.011   5.537
  441   1HD2  ASN  56          2HD2      ASN  56  13.451   0.408   5.691
  442   2HD2  ASN  56          1HD2      ASN  56  13.039  -1.238   5.694
  443    CH2  TRP  57           CH2      TRP  57   1.756  -4.486   2.417
  444    H    TRP  57           H        TRP  57   7.438  -2.560   5.090
  445    HA   TRP  57           HA       TRP  57   8.586  -4.167   2.971
  446   1HB   TRP  57          2HB       TRP  57   6.923  -5.779   3.508
  447   2HB   TRP  57          1HB       TRP  57   7.451  -5.106   5.021
  448    HD1  TRP  57           HD1      TRP  57   5.711  -3.947   6.466
  449    HE1  TRP  57           HE1      TRP  57   3.172  -3.613   6.293
  450    HE3  TRP  57           HE3      TRP  57   4.974  -5.270   1.617
  451    HZ2  TRP  57           HZ2      TRP  57   1.097  -3.809   4.352
  452    HZ3  TRP  57           HZ3      TRP  57   2.716  -5.166   0.619
  453    HH2  TRP  57           HH2      TRP  57   0.772  -4.445   1.975
  454    H    VAL  58           H        VAL  58   5.818  -2.018   3.394
  455    HA   VAL  58           HA       VAL  58   4.567  -2.572   0.869
  456    HB   VAL  58           HB       VAL  58   4.534  -0.263   2.790
  457   1HG1  VAL  58          1HG1      VAL  58   3.370  -0.313   0.010
  458   2HG1  VAL  58          3HG1      VAL  58   2.688   0.696   1.286
  459   3HG1  VAL  58          2HG1      VAL  58   4.353   0.945   0.760
  460   1HG2  VAL  58          1HG2      VAL  58   2.639  -2.384   1.863
  461   2HG2  VAL  58          3HG2      VAL  58   3.093  -1.938   3.505
  462   3HG2  VAL  58          2HG2      VAL  58   2.010  -0.903   2.578
  463    H    GLN  59           H        GLN  59   7.083  -0.219   1.824
  464    HA   GLN  59           HA       GLN  59   7.276   0.885  -0.845
  465   1HB   GLN  59          2HB       GLN  59   9.189   2.113   0.019
  466   2HB   GLN  59          1HB       GLN  59   7.854   2.198   1.161
  467   1HG   GLN  59          2HG       GLN  59   8.826   0.375   2.455
  468   2HG   GLN  59          1HG       GLN  59  10.150   0.244   1.305
  469   1HE2  GLN  59          2HE2      GLN  59  11.853   3.141   2.519
  470   2HE2  GLN  59          1HE2      GLN  59  11.715   2.064   1.215
  471    NH1  ARG  60           NH2      ARG  60  14.403  -3.927   3.174
  472    NH2  ARG  60           NH1      ARG  60  14.910  -6.132   3.018
  473    H    ARG  60           H        ARG  60   8.795  -1.782   0.843
  474    HA   ARG  60           HA       ARG  60  10.943  -2.070  -1.141
  475   1HB   ARG  60          2HB       ARG  60  10.770  -2.892   1.422
  476   2HB   ARG  60          1HB       ARG  60  10.179  -4.349   0.628
  477   1HG   ARG  60          2HG       ARG  60  12.264  -4.025  -0.931
  478   2HG   ARG  60          1HG       ARG  60  12.870  -3.026   0.390
  479   1HD   ARG  60          2HD       ARG  60  12.044  -5.163   1.814
  480   2HD   ARG  60          1HD       ARG  60  12.421  -5.967   0.290
  481    HE   ARG  60           HE       ARG  60  14.733  -4.995   0.503
  482   1HH1  ARG  60          1HH2      ARG  60  14.060  -3.086   2.756
  483   2HH1  ARG  60          2HH2      ARG  60  14.702  -3.925   4.129
  484   1HH2  ARG  60          2HH1      ARG  60  14.955  -6.974   2.480
  485   2HH2  ARG  60          1HH1      ARG  60  15.209  -6.133   3.972
  486    H    VAL  61           H        VAL  61   7.803  -3.529  -0.380
  487    HA   VAL  61           HA       VAL  61   7.875  -5.597  -2.368
  488    HB   VAL  61           HB       VAL  61   5.666  -4.153  -0.902
  489   1HG1  VAL  61          1HG1      VAL  61   5.454  -5.983  -3.250
  490   2HG1  VAL  61          3HG1      VAL  61   4.294  -6.184  -1.937
  491   3HG1  VAL  61          2HG1      VAL  61   4.417  -4.638  -2.777
  492   1HG2  VAL  61          1HG2      VAL  61   7.040  -5.827   0.301
  493   2HG2  VAL  61          3HG2      VAL  61   5.369  -6.364   0.132
  494   3HG2  VAL  61          2HG2      VAL  61   6.619  -7.033  -0.914
  495    H    VAL  62           H        VAL  62   6.687  -2.230  -2.463
  496    HA   VAL  62           HA       VAL  62   5.701  -2.342  -5.162
  497    HB   VAL  62           HB       VAL  62   6.677  -0.003  -3.490
  498   1HG1  VAL  62          3HG1      VAL  62   5.380  -0.126  -6.217
  499   2HG1  VAL  62          2HG1      VAL  62   5.225   1.297  -5.186
  500   3HG1  VAL  62          1HG1      VAL  62   6.818   0.770  -5.728
  501   1HG2  VAL  62          2HG2      VAL  62   4.544  -1.488  -2.943
  502   2HG2  VAL  62          1HG2      VAL  62   4.473   0.269  -2.808
  503   3HG2  VAL  62          3HG2      VAL  62   3.822  -0.532  -4.238
  504    H    GLU  63           H        GLU  63   8.866  -1.407  -3.785
  505    HA   GLU  63           HA       GLU  63  10.068  -0.627  -6.248
  506   1HB   GLU  63          2HB       GLU  63  11.031  -1.348  -3.528
  507   2HB   GLU  63          1HB       GLU  63  12.208  -1.461  -4.836
  508   1HG   GLU  63          2HG       GLU  63  11.774   0.855  -5.479
  509   2HG   GLU  63          1HG       GLU  63  10.506   0.983  -4.260
  510    H    LYS  64           H        LYS  64   9.975  -3.771  -4.550
  511    HA   LYS  64           HA       LYS  64  11.619  -5.140  -6.450
  512   1HB   LYS  64          2HB       LYS  64  10.762  -5.810  -4.017
  513   2HB   LYS  64          1HB       LYS  64   9.504  -6.621  -4.952
  514   1HG   LYS  64          2HG       LYS  64  11.351  -7.678  -6.328
  515   2HG   LYS  64          1HG       LYS  64  12.498  -7.034  -5.152
  516   1HD   LYS  64          2HD       LYS  64  11.095  -8.207  -3.360
  517   2HD   LYS  64          1HD       LYS  64  10.297  -9.055  -4.687
  518   1HE   LYS  64          2HE       LYS  64  13.296  -9.008  -4.590
  519   2HE   LYS  64          1HE       LYS  64  12.424 -10.112  -3.527
  520   1HZ   LYS  64          1HZ       LYS  64  11.236 -10.943  -5.503
  521   2HZ   LYS  64          3HZ       LYS  64  12.208  -9.958  -6.485
  522   3HZ   LYS  64          2HZ       LYS  64  12.912 -11.212  -5.582
  523    H    PHE  65           H        PHE  65   8.209  -4.321  -6.366
  524    HA   PHE  65           HA       PHE  65   7.382  -6.205  -8.410
  525   1HB   PHE  65          2HB       PHE  65   6.004  -4.874  -6.586
  526   2HB   PHE  65          1HB       PHE  65   5.925  -3.648  -7.843
  527    HD1  PHE  65           HD1      PHE  65   5.613  -7.393  -7.603
  528    HD2  PHE  65           HD2      PHE  65   4.047  -3.730  -9.209
  529    HE1  PHE  65           HE1      PHE  65   3.800  -8.657  -8.726
  530    HE2  PHE  65           HE2      PHE  65   2.235  -4.995 -10.334
  531    HZ   PHE  65           HZ       PHE  65   2.114  -7.459 -10.093
  532    H    LEU  66           H        LEU  66   8.146  -2.699  -8.396
  533    HA   LEU  66           HA       LEU  66   7.948  -2.638 -11.354
  534   1HB   LEU  66          2HB       LEU  66   8.388  -0.517  -9.243
  535   2HB   LEU  66          1HB       LEU  66   8.574  -0.173 -10.964
  536    HG   LEU  66           HG       LEU  66   6.079  -1.515  -9.939
  537   1HD1  LEU  66          1HD1      LEU  66   6.465   0.588  -8.629
  538   2HD1  LEU  66          3HD1      LEU  66   6.511   1.479 -10.149
  539   3HD1  LEU  66          2HD1      LEU  66   5.030   0.658  -9.652
  540   1HD2  LEU  66          3HD2      LEU  66   6.782   0.221 -12.326
  541   2HD2  LEU  66          2HD2      LEU  66   6.387  -1.498 -12.344
  542   3HD2  LEU  66          1HD2      LEU  66   5.143  -0.312 -11.949
  543    H    LYS  67           H        LYS  67  10.410  -1.516  -8.994
  544    HA   LYS  67           HA       LYS  67  12.740  -1.685  -9.021
  545   1HB   LYS  67          2HB       LYS  67  11.945  -4.070 -10.104
  546   2HB   LYS  67          1HB       LYS  67  12.925  -3.410 -11.413
  547   1HG   LYS  67          2HG       LYS  67  13.970  -3.292  -8.601
  548   2HG   LYS  67          1HG       LYS  67  14.068  -4.810  -9.493
  549   1HD   LYS  67          2HD       LYS  67  15.540  -3.951 -11.071
  550   2HD   LYS  67          1HD       LYS  67  14.978  -2.295 -10.845
  551   1HE   LYS  67          2HE       LYS  67  15.969  -2.833  -8.362
  552   2HE   LYS  67          1HE       LYS  67  17.048  -3.803  -9.363
  553   1HZ   LYS  67          1HZ       LYS  67  16.446  -0.929  -9.817
  554   2HZ   LYS  67          3HZ       LYS  67  17.836  -1.514  -9.043
  555   3HZ   LYS  67          2HZ       LYS  67  17.563  -1.878 -10.679
  556    NH1  ARG  68           NH2      ARG  68   8.882   3.906  -9.725
  557    NH2  ARG  68           NH1      ARG  68   9.568   6.066  -9.614
  558    H    ARG  68           H        ARG  68  13.532   0.252  -9.654
  559    HA   ARG  68           HA       ARG  68  14.350   0.657 -12.414
  560   1HB   ARG  68          2HB       ARG  68  13.078   2.863 -12.623
  561   2HB   ARG  68          1HB       ARG  68  12.118   1.401 -12.803
  562   1HG   ARG  68          2HG       ARG  68  10.790   2.074 -11.115
  563   2HG   ARG  68          1HG       ARG  68  12.176   2.038 -10.024
  564   1HD   ARG  68          2HD       ARG  68  12.790   4.339 -10.876
  565   2HD   ARG  68          1HD       ARG  68  11.246   4.363 -11.727
  566    HE   ARG  68           HE       ARG  68  11.578   4.373  -8.768
  567   1HH1  ARG  68          1HH2      ARG  68   9.097   2.930  -9.753
  568   2HH1  ARG  68          2HH2      ARG  68   7.927   4.209  -9.751
  569   1HH2  ARG  68          2HH1      ARG  68  10.307   6.738  -9.558
  570   2HH2  ARG  68          1HH1      ARG  68   8.616   6.373  -9.639
  571    H    ALA  69           H        ALA  69  15.341   2.956 -12.619
  572    HA   ALA  69           HA       ALA  69  16.087   4.359 -10.198
  573   1HB   ALA  69          2HB       ALA  69  18.065   2.416 -11.412
  574   2HB   ALA  69          1HB       ALA  69  18.567   3.770 -10.398
  575   3HB   ALA  69          3HB       ALA  69  17.530   2.508  -9.734
  576    H    GLU  70           H        GLU  70  15.024   5.396 -12.468
  577    HA   GLU  70           HA       GLU  70  17.338   6.839 -13.698
  578   1HB   GLU  70          2HB       GLU  70  14.833   5.818 -15.073
  579   2HB   GLU  70          1HB       GLU  70  15.957   6.959 -15.811
  580   1HG   GLU  70          2HG       GLU  70  16.892   4.307 -14.703
  581   2HG   GLU  70          1HG       GLU  70  16.300   4.461 -16.356
  582    H    ASN  71           H        ASN  71  13.758   7.100 -13.783
  583    HA   ASN  71           HA       ASN  71  13.718   9.524 -12.197
  584   1HB   ASN  71          2HB       ASN  71  14.211   9.790 -15.037
  585   2HB   ASN  71          1HB       ASN  71  12.654  10.507 -14.630
  586   1HD2  ASN  71          2HD2      ASN  71  14.166  12.920 -12.350
  587   2HD2  ASN  71          1HD2      ASN  71  12.805  11.913 -12.458
  588    H    SER  72           H        SER  72  11.940   8.039 -14.943
  589    HA   SER  72           HA       SER  72   9.451   8.239 -13.302
  590   1HB   SER  72          2HB       SER  72   9.874   8.005 -16.294
  591   2HB   SER  72          1HB       SER  72   8.294   7.895 -15.524
  592    HG   SER  72           HG       SER  72  10.039  10.077 -15.774
  593   1HC   CH3  25          1H        LEU  25   0.153  -3.682 -11.766
  594   2HC   CH3  25          2H        LEU  25  -0.380  -2.033 -11.441
  595   3HC   CH3  25          3H        LEU  25   1.168  -2.601 -10.816
   
  Start of MODEL           8
 Raw file had  595 H/Q atoms
  Start of MODEL    8
    1   1H    GLU   4          2H        GLU   4  -5.525  13.859  -7.365
    2   2H    GLU   4          1H        GLU   4  -5.382  12.223  -7.801
    3   3H    GLU   4          3H        GLU   4  -4.520  13.408  -8.656
    4    HA   GLU   4           HA       GLU   4  -6.542  14.351  -9.523
    5   1HB   GLU   4          2HB       GLU   4  -6.295  11.343  -9.820
    6   2HB   GLU   4          1HB       GLU   4  -7.352  12.335 -10.824
    7   1HG   GLU   4          2HG       GLU   4  -4.423  12.999 -10.537
    8   2HG   GLU   4          1HG       GLU   4  -4.970  11.809 -11.716
    9    H    LEU   5           H        LEU   5  -7.486  11.217  -8.043
   10    HA   LEU   5           HA       LEU   5 -10.127  12.418  -7.375
   11   1HB   LEU   5          2HB       LEU   5  -9.427   9.938  -8.413
   12   2HB   LEU   5          1HB       LEU   5  -9.729   9.584  -6.713
   13    HG   LEU   5           HG       LEU   5 -11.711  11.376  -7.994
   14   1HD1  LEU   5          2HD1      LEU   5 -11.251   9.763  -9.822
   15   2HD1  LEU   5          1HD1      LEU   5 -11.565   8.431  -8.709
   16   3HD1  LEU   5          3HD1      LEU   5 -12.864   9.541  -9.146
   17   1HD2  LEU   5          1HD2      LEU   5 -11.502   9.387  -5.848
   18   2HD2  LEU   5          3HD2      LEU   5 -12.621  10.741  -6.016
   19   3HD2  LEU   5          2HD2      LEU   5 -12.973   9.203  -6.803
   20    NH1  ARG   6           NH1      ARG   6 -14.174  16.026  -1.837
   21    NH2  ARG   6           NH2      ARG   6 -14.508  16.612  -4.003
   22    H    ARG   6           H        ARG   6 -11.010  11.913  -5.166
   23    HA   ARG   6           HA       ARG   6  -9.191  12.691  -3.099
   24   1HB   ARG   6          2HB       ARG   6 -12.017  11.736  -3.207
   25   2HB   ARG   6          1HB       ARG   6 -11.202  11.683  -1.649
   26   1HG   ARG   6          2HG       ARG   6 -11.882  13.853  -1.493
   27   2HG   ARG   6          1HG       ARG   6 -10.470  14.165  -2.503
   28   1HD   ARG   6          2HD       ARG   6 -11.867  14.008  -4.525
   29   2HD   ARG   6          1HD       ARG   6 -13.282  13.664  -3.529
   30    HE   ARG   6           HE       ARG   6 -11.811  16.270  -3.486
   31   1HH1  ARG   6          2HH1      ARG   6 -13.592  15.631  -1.127
   32   2HH1  ARG   6          1HH1      ARG   6 -15.084  16.371  -1.602
   33   1HH2  ARG   6          1HH2      ARG   6 -14.180  16.666  -4.946
   34   2HH2  ARG   6          2HH2      ARG   6 -15.418  16.958  -3.771
   35    H    CYS   7           H        CYS   7  -9.333  11.163  -0.946
   36    HA   CYS   7           HA       CYS   7  -7.605   8.935  -1.510
   37   1HB   CYS   7          2HB       CYS   7  -9.148   9.305   1.061
   38   2HB   CYS   7          1HB       CYS   7  -7.567   8.574   0.832
   39    H    GLN   8           H        GLN   8  -8.339   7.124  -2.501
   40    HA   GLN   8           HA       GLN   8 -11.109   6.273  -2.405
   41   1HB   GLN   8          2HB       GLN   8  -8.568   5.010  -3.453
   42   2HB   GLN   8          1HB       GLN   8 -10.126   4.196  -3.534
   43   1HG   GLN   8          2HG       GLN   8  -9.928   7.008  -4.545
   44   2HG   GLN   8          1HG       GLN   8  -9.297   5.702  -5.547
   45   1HE2  GLN   8          2HE2      GLN   8 -12.506   4.436  -6.386
   46   2HE2  GLN   8          1HE2      GLN   8 -10.829   4.185  -6.471
   47    H    CYS   9           H        CYS   9  -8.298   5.661  -0.432
   48    HA   CYS   9           HA       CYS   9  -9.826   3.543   1.032
   49   1HB   CYS   9          2HB       CYS   9  -7.035   3.632   0.079
   50   2HB   CYS   9          1HB       CYS   9  -7.211   3.139   1.763
   51    H    ILE  10           H        ILE  10 -10.639   4.598   2.799
   52    HA   ILE  10           HA       ILE  10  -9.349   6.839   4.091
   53    HB   ILE  10           HB       ILE  10 -11.436   4.905   5.169
   54   1HG1  ILE  10          2HG1      ILE  10 -12.314   6.059   3.233
   55   2HG1  ILE  10          1HG1      ILE  10 -12.995   6.830   4.660
   56   1HG2  ILE  10          3HG2      ILE  10 -10.492   7.606   6.174
   57   2HG2  ILE  10          2HG2      ILE  10 -11.931   6.775   6.764
   58   3HG2  ILE  10          1HG2      ILE  10 -10.339   6.057   7.003
   59   1HD1  ILE  10          1HD1      ILE  10 -10.841   8.383   4.414
   60   2HD1  ILE  10          3HD1      ILE  10 -10.963   7.873   2.729
   61   3HD1  ILE  10          2HD1      ILE  10 -12.312   8.709   3.498
   62    H    LYS  11           H        LYS  11  -9.307   3.345   4.529
   63    HA   LYS  11           HA       LYS  11  -7.104   3.652   6.534
   64   1HB   LYS  11          2HB       LYS  11  -9.340   1.628   6.324
   65   2HB   LYS  11          1HB       LYS  11  -7.844   1.237   7.172
   66   1HG   LYS  11          2HG       LYS  11  -8.927   2.151   8.962
   67   2HG   LYS  11          1HG       LYS  11  -8.389   3.673   8.253
   68   1HD   LYS  11          2HD       LYS  11 -10.577   3.602   6.887
   69   2HD   LYS  11          1HD       LYS  11 -11.099   2.359   8.024
   70   1HE   LYS  11          2HE       LYS  11  -9.950   4.879   9.149
   71   2HE   LYS  11          1HE       LYS  11 -11.581   4.944   8.481
   72   1HZ   LYS  11          2HZ       LYS  11 -12.192   3.082   9.907
   73   2HZ   LYS  11          1HZ       LYS  11 -10.626   3.057  10.568
   74   3HZ   LYS  11          3HZ       LYS  11 -11.632   4.399  10.823
   75    H    THR  12           H        THR  12  -5.168   2.970   5.684
   76    HA   THR  12           HA       THR  12  -5.202   1.434   3.165
   77    HB   THR  12           HB       THR  12  -2.552   1.742   3.782
   78    HG1  THR  12           HG1      THR  12  -2.813   3.006   5.537
   79   1HG2  THR  12          2HG2      THR  12  -4.409   3.663   2.372
   80   2HG2  THR  12          1HG2      THR  12  -2.654   3.632   2.193
   81   3HG2  THR  12          3HG2      THR  12  -3.621   2.257   1.657
   82    OH   TYR  13           OH       TYR  13  -3.006  -8.211   4.409
   83    H    TYR  13           H        TYR  13  -3.087  -0.110   3.117
   84    HA   TYR  13           HA       TYR  13  -3.772  -2.262   5.002
   85   1HB   TYR  13          2HB       TYR  13  -3.407  -2.439   2.413
   86   2HB   TYR  13          1HB       TYR  13  -1.700  -2.452   2.836
   87    HD1  TYR  13           HD1      TYR  13  -4.103  -3.853   5.199
   88    HD2  TYR  13           HD2      TYR  13  -1.489  -4.706   1.905
   89    HE1  TYR  13           HE1      TYR  13  -4.232  -6.275   5.734
   90    HE2  TYR  13           HE2      TYR  13  -1.615  -7.135   2.436
   91    HH   TYR  13           HH       TYR  13  -2.805  -8.328   5.340
   92    H    SER  14           H        SER  14  -2.578  -2.661   6.779
   93    HA   SER  14           HA       SER  14   0.134  -1.442   6.976
   94   1HB   SER  14          2HB       SER  14  -0.097  -1.635   9.380
   95   2HB   SER  14          1HB       SER  14  -1.574  -0.907   8.758
   96    HG   SER  14           HG       SER  14  -2.651  -2.731   9.147
   97    H    LYS  15           H        LYS  15  -1.597  -4.512   7.057
   98    HA   LYS  15           HA       LYS  15   0.738  -6.034   7.901
   99   1HB   LYS  15          2HB       LYS  15  -1.429  -7.393   6.402
  100   2HB   LYS  15          1HB       LYS  15  -0.598  -7.899   7.847
  101   1HG   LYS  15          2HG       LYS  15  -2.679  -5.699   7.771
  102   2HG   LYS  15          1HG       LYS  15  -2.989  -7.355   8.278
  103   1HD   LYS  15          2HD       LYS  15  -1.201  -7.089  10.028
  104   2HD   LYS  15          1HD       LYS  15  -1.099  -5.382   9.593
  105   1HE   LYS  15          2HE       LYS  15  -3.570  -5.196  10.070
  106   2HE   LYS  15          1HE       LYS  15  -3.516  -6.844  10.693
  107   1HZ   LYS  15          2HZ       LYS  15  -1.866  -4.586  11.697
  108   2HZ   LYS  15          1HZ       LYS  15  -3.273  -5.177  12.445
  109   3HZ   LYS  15          3HZ       LYS  15  -1.900  -6.165  12.326
  110    HA   PRO  16           HA       PRO  16   2.503  -6.180   3.865
  111   1HB   PRO  16          2HB       PRO  16   4.469  -7.976   4.473
  112   2HB   PRO  16          1HB       PRO  16   4.509  -6.289   4.960
  113   1HG   PRO  16          2HG       PRO  16   4.021  -8.694   6.625
  114   2HG   PRO  16          1HG       PRO  16   4.574  -7.086   7.118
  115   1HD   PRO  16          2HD       PRO  16   1.917  -8.145   7.350
  116   2HD   PRO  16          1HD       PRO  16   2.442  -6.494   7.723
  117    H    PHE  17           H        PHE  17   2.846  -7.673   2.090
  118    HA   PHE  17           HA       PHE  17   2.051 -10.467   2.358
  119   1HB   PHE  17          2HB       PHE  17   0.055 -10.444   1.071
  120   2HB   PHE  17          1HB       PHE  17  -0.140  -9.153   2.247
  121    HD1  PHE  17           HD2      PHE  17   0.575  -6.748   1.462
  122    HD2  PHE  17           HD1      PHE  17  -0.254 -10.015  -1.203
  123    HE1  PHE  17           HE2      PHE  17   0.182  -5.143  -0.389
  124    HE2  PHE  17           HE1      PHE  17  -0.650  -8.408  -3.048
  125    HZ   PHE  17           HZ       PHE  17  -0.430  -5.974  -2.641
  126    H    HIS  18           H        HIS  18   2.284 -11.641   0.264
  127    HA   HIS  18           HA       HIS  18   4.639 -10.755  -1.136
  128   1HB   HIS  18          2HB       HIS  18   4.370 -13.076  -0.814
  129   2HB   HIS  18          1HB       HIS  18   2.744 -13.055  -1.484
  130    HD1  HIS  18           HD1      HIS  18   6.361 -13.036  -2.500
  131    HD2  HIS  18           HD2      HIS  18   2.610 -12.875  -4.243
  132    HE1  HIS  18           HE1      HIS  18   6.702 -13.378  -4.997
  133    HA   PRO  19           HA       PRO  19   2.822  -8.168  -4.164
  134   1HB   PRO  19          2HB       PRO  19   5.011  -7.956  -5.796
  135   2HB   PRO  19          1HB       PRO  19   4.834  -7.116  -4.250
  136   1HG   PRO  19          2HG       PRO  19   6.497  -9.504  -4.913
  137   2HG   PRO  19          1HG       PRO  19   6.760  -8.263  -3.677
  138   1HD   PRO  19          2HD       PRO  19   5.743 -10.847  -3.214
  139   2HD   PRO  19          1HD       PRO  19   5.659  -9.487  -2.080
  140    H    LYS  20           H        LYS  20   4.579 -10.991  -5.576
  141    HA   LYS  20           HA       LYS  20   3.629 -10.750  -8.190
  142   1HB   LYS  20          2HB       LYS  20   5.219 -12.537  -7.184
  143   2HB   LYS  20          1HB       LYS  20   3.739 -13.467  -7.019
  144   1HG   LYS  20          2HG       LYS  20   3.277 -13.273  -9.397
  145   2HG   LYS  20          1HG       LYS  20   4.669 -12.205  -9.605
  146   1HD   LYS  20          2HD       LYS  20   6.203 -13.979  -9.021
  147   2HD   LYS  20          1HD       LYS  20   4.873 -15.044  -8.564
  148   1HE   LYS  20          2HE       LYS  20   4.230 -15.414 -10.775
  149   2HE   LYS  20          1HE       LYS  20   4.956 -13.912 -11.345
  150   1HZ   LYS  20          1HZ       LYS  20   6.555 -16.179 -10.294
  151   2HZ   LYS  20          3HZ       LYS  20   6.176 -16.004 -11.939
  152   3HZ   LYS  20          2HZ       LYS  20   7.109 -14.821 -11.154
  153    H    PHE  21           H        PHE  21   1.771 -11.688  -5.377
  154    HA   PHE  21           HA       PHE  21  -0.416 -12.994  -6.650
  155   1HB   PHE  21          2HB       PHE  21  -0.453 -11.180  -4.261
  156   2HB   PHE  21          1HB       PHE  21  -1.727 -12.289  -4.702
  157    HD1  PHE  21           HD1      PHE  21   0.398 -14.478  -5.644
  158    HD2  PHE  21           HD2      PHE  21  -0.203 -12.198  -2.052
  159    HE1  PHE  21           HE1      PHE  21   1.508 -16.257  -4.322
  160    HE2  PHE  21           HE2      PHE  21   0.909 -13.975  -0.734
  161    HZ   PHE  21           HZ       PHE  21   1.763 -16.008  -1.871
  162    H    ILE  22           H        ILE  22   0.358  -9.603  -6.098
  163    HA   ILE  22           HA       ILE  22  -2.098  -8.468  -7.048
  164    HB   ILE  22           HB       ILE  22   0.718  -7.338  -6.915
  165   1HG1  ILE  22          2HG1      ILE  22  -0.088  -7.894  -4.714
  166   2HG1  ILE  22          1HG1      ILE  22  -0.265  -6.151  -4.902
  167   1HG2  ILE  22          2HG2      ILE  22  -1.878  -6.175  -7.796
  168   2HG2  ILE  22          1HG2      ILE  22  -0.835  -5.162  -6.800
  169   3HG2  ILE  22          3HG2      ILE  22  -0.239  -5.804  -8.329
  170   1HD1  ILE  22          1HD1      ILE  22  -2.661  -6.526  -5.563
  171   2HD1  ILE  22          3HD1      ILE  22  -2.451  -8.235  -5.185
  172   3HD1  ILE  22          2HD1      ILE  22  -2.304  -7.026  -3.911
  173    H    LYS  23           H        LYS  23  -2.855  -8.432  -9.075
  174    HA   LYS  23           HA       LYS  23  -1.068  -9.080 -11.339
  175   1HB   LYS  23          2HB       LYS  23  -3.547  -9.927 -10.886
  176   2HB   LYS  23          1HB       LYS  23  -3.971  -8.412 -11.684
  177   1HG   LYS  23          2HG       LYS  23  -2.431  -9.067 -13.572
  178   2HG   LYS  23          1HG       LYS  23  -2.251 -10.643 -12.801
  179   1HD   LYS  23          2HD       LYS  23  -5.047  -9.735 -13.133
  180   2HD   LYS  23          1HD       LYS  23  -4.186 -10.056 -14.639
  181   1HE   LYS  23          2HE       LYS  23  -3.521 -12.290 -13.732
  182   2HE   LYS  23          1HE       LYS  23  -4.508 -11.968 -12.306
  183   1HZ   LYS  23          2HZ       LYS  23  -6.428 -11.682 -13.798
  184   2HZ   LYS  23          1HZ       LYS  23  -5.456 -12.134 -15.116
  185   3HZ   LYS  23          3HZ       LYS  23  -5.769 -13.246 -13.874
  186    H    GLU  24           H        GLU  24  -2.598  -6.325  -9.843
  187    HA   GLU  24           HA       GLU  24  -1.409  -4.570 -11.927
  188   1HB   GLU  24          2HB       GLU  24  -4.167  -5.088 -11.799
  189   2HB   GLU  24          1HB       GLU  24  -3.967  -3.519 -11.019
  190   1HG   GLU  24          2HG       GLU  24  -2.410  -3.010 -13.080
  191   2HG   GLU  24          1HG       GLU  24  -3.307  -4.328 -13.835
  192    HA   LEU  25           HA       LEU  25  -0.863  -2.579  -7.922
  193   1HB   LEU  25          2HB       LEU  25   1.053  -3.979  -7.615
  194   2HB   LEU  25          1HB       LEU  25   1.913  -3.218  -8.953
  195    HG   LEU  25           HG       LEU  25   1.073  -1.280  -6.923
  196   1HD1  LEU  25          2HD1      LEU  25   1.767  -3.658  -5.792
  197   2HD1  LEU  25          1HD1      LEU  25   3.345  -2.884  -5.932
  198   3HD1  LEU  25          3HD1      LEU  25   2.050  -2.088  -5.040
  199   1HD2  LEU  25          2HD2      LEU  25   3.163  -1.710  -8.827
  200   2HD2  LEU  25          1HD2      LEU  25   2.836  -0.258  -7.881
  201   3HD2  LEU  25          3HD2      LEU  25   3.913  -1.501  -7.245
  202    NH1  ARG  26           NH2      ARG  26  -6.758   1.681 -11.439
  203    NH2  ARG  26           NH1      ARG  26  -7.116  -0.557 -11.348
  204    H    ARG  26           H        ARG  26  -1.683  -0.518  -8.375
  205    HA   ARG  26           HA       ARG  26   0.233   1.301  -9.750
  206   1HB   ARG  26          2HB       ARG  26  -1.735   2.614 -10.548
  207   2HB   ARG  26          1HB       ARG  26  -1.726   0.966 -11.174
  208   1HG   ARG  26          2HG       ARG  26  -3.119   0.844  -8.717
  209   2HG   ARG  26          1HG       ARG  26  -3.727   2.277  -9.546
  210   1HD   ARG  26          2HD       ARG  26  -4.027   0.856 -11.607
  211   2HD   ARG  26          1HD       ARG  26  -3.622  -0.552 -10.625
  212    HE   ARG  26           HE       ARG  26  -5.638   0.235  -9.171
  213   1HH1  ARG  26          1HH2      ARG  26  -6.242   2.488 -11.151
  214   2HH1  ARG  26          2HH2      ARG  26  -7.513   1.777 -12.087
  215   1HH2  ARG  26          2HH1      ARG  26  -6.874  -1.459 -10.990
  216   2HH2  ARG  26          1HH1      ARG  26  -7.873  -0.464 -11.995
  217    H    VAL  27           H        VAL  27   0.891   3.022  -8.537
  218    HA   VAL  27           HA       VAL  27  -0.515   3.539  -5.968
  219    HB   VAL  27           HB       VAL  27   1.615   4.745  -5.389
  220   1HG1  VAL  27          3HG1      VAL  27   1.113   2.283  -4.908
  221   2HG1  VAL  27          2HG1      VAL  27   2.162   1.913  -6.276
  222   3HG1  VAL  27          1HG1      VAL  27   2.811   2.756  -4.868
  223   1HG2  VAL  27          3HG2      VAL  27   2.209   5.085  -7.871
  224   2HG2  VAL  27          2HG2      VAL  27   3.526   4.625  -6.794
  225   3HG2  VAL  27          1HG2      VAL  27   2.776   3.416  -7.837
  226    H    ILE  28           H        ILE  28  -1.101   5.703  -5.392
  227    HA   ILE  28           HA       ILE  28  -1.200   7.592  -7.716
  228    HB   ILE  28           HB       ILE  28  -3.045   7.441  -5.305
  229   1HG1  ILE  28          2HG1      ILE  28  -3.507   6.707  -8.218
  230   2HG1  ILE  28          1HG1      ILE  28  -3.330   5.555  -6.896
  231   1HG2  ILE  28          3HG2      ILE  28  -2.668   9.730  -6.330
  232   2HG2  ILE  28          2HG2      ILE  28  -3.318   9.087  -7.839
  233   3HG2  ILE  28          1HG2      ILE  28  -4.337   9.163  -6.402
  234   1HD1  ILE  28          2HD1      ILE  28  -5.309   6.610  -5.779
  235   2HD1  ILE  28          1HD1      ILE  28  -5.523   7.626  -7.204
  236   3HD1  ILE  28          3HD1      ILE  28  -5.701   5.877  -7.335
  237    H    GLU  29           H        GLU  29  -0.349   9.636  -7.431
  238    HA   GLU  29           HA       GLU  29   1.509  10.078  -5.294
  239   1HB   GLU  29          2HB       GLU  29   1.702  12.363  -6.262
  240   2HB   GLU  29          1HB       GLU  29   1.852  11.102  -7.472
  241   1HG   GLU  29          2HG       GLU  29  -0.928  11.848  -7.142
  242   2HG   GLU  29          1HG       GLU  29   0.049  13.271  -7.495
  243    H    SER  30           H        SER  30   1.379  12.368  -4.150
  244    HA   SER  30           HA       SER  30  -1.227  12.426  -2.700
  245   1HB   SER  30          2HB       SER  30   0.326  13.912  -1.123
  246   2HB   SER  30          1HB       SER  30   0.345  12.156  -1.031
  247    HG   SER  30           HG       SER  30   2.347  12.241  -1.635
  248    H    GLY  31           H        GLY  31  -1.955  14.631  -1.991
  249   1HA   GLY  31          2HA       GLY  31  -1.019  17.068  -3.080
  250   2HA   GLY  31          1HA       GLY  31  -2.190  16.416  -4.218
  251    HA   PRO  32           HA       PRO  32  -4.757  18.685  -1.184
  252   1HB   PRO  32          2HB       PRO  32  -6.547  19.561  -3.093
  253   2HB   PRO  32          1HB       PRO  32  -5.070  20.438  -2.659
  254   1HG   PRO  32          2HG       PRO  32  -5.631  18.784  -5.085
  255   2HG   PRO  32          1HG       PRO  32  -4.541  20.168  -4.897
  256   1HD   PRO  32          2HD       PRO  32  -3.739  17.475  -4.965
  257   2HD   PRO  32          1HD       PRO  32  -2.757  18.824  -4.355
  258    H    HIS  33           H        HIS  33  -5.585  16.554  -3.860
  259    HA   HIS  33           HA       HIS  33  -8.178  15.696  -3.062
  260   1HB   HIS  33          2HB       HIS  33  -7.707  13.714  -4.499
  261   2HB   HIS  33          1HB       HIS  33  -7.255  15.217  -5.296
  262    HD1  HIS  33           HD1      HIS  33  -4.658  15.785  -5.380
  263    HD2  HIS  33           HD2      HIS  33  -5.552  11.961  -3.984
  264    HE1  HIS  33           HE1      HIS  33  -2.461  14.539  -5.271
  265    H    CYS  34           H        CYS  34  -4.949  14.625  -2.090
  266    HA   CYS  34           HA       CYS  34  -6.064  13.295   0.248
  267   1HB   CYS  34          2HB       CYS  34  -5.857  11.649  -1.813
  268   2HB   CYS  34          1HB       CYS  34  -4.149  11.657  -1.375
  269    H    ALA  35           H        ALA  35  -4.790  13.907   1.915
  270    HA   ALA  35           HA       ALA  35  -2.449  15.450   1.656
  271   1HB   ALA  35          3HB       ALA  35  -3.478  13.785   3.956
  272   2HB   ALA  35          2HB       ALA  35  -2.065  14.834   4.093
  273   3HB   ALA  35          1HB       ALA  35  -3.644  15.525   3.719
  274    H    ASN  36           H        ASN  36  -2.560  12.024   2.710
  275    HA   ASN  36           HA       ASN  36   0.345  11.812   2.206
  276   1HB   ASN  36          2HB       ASN  36  -1.709  10.186   3.635
  277   2HB   ASN  36          1HB       ASN  36  -0.292   9.345   3.010
  278   1HD2  ASN  36          2HD2      ASN  36   1.979  10.954   5.268
  279   2HD2  ASN  36          1HD2      ASN  36   1.875  10.149   3.778
  280    H    THR  37           H        THR  37   1.140   9.819   1.046
  281    HA   THR  37           HA       THR  37  -0.053   9.653  -1.601
  282    HB   THR  37           HB       THR  37   2.027   7.734  -0.547
  283    HG1  THR  37           HG1      THR  37   3.266   9.357  -0.143
  284   1HG2  THR  37          2HG2      THR  37   1.506   9.079  -3.211
  285   2HG2  THR  37          1HG2      THR  37   2.899   8.051  -2.876
  286   3HG2  THR  37          3HG2      THR  37   1.271   7.375  -2.823
  287    H    GLU  38           H        GLU  38  -1.146   7.819  -2.519
  288    HA   GLU  38           HA       GLU  38  -2.046   5.790  -0.516
  289   1HB   GLU  38          2HB       GLU  38  -3.546   7.341  -2.608
  290   2HB   GLU  38          1HB       GLU  38  -4.111   5.747  -2.133
  291   1HG   GLU  38          2HG       GLU  38  -3.587   8.033  -0.212
  292   2HG   GLU  38          1HG       GLU  38  -5.180   7.570  -0.809
  293    H    ILE  39           H        ILE  39  -1.138   3.839  -1.054
  294    HA   ILE  39           HA       ILE  39  -0.419   3.297  -3.870
  295    HB   ILE  39           HB       ILE  39  -0.051   1.810  -1.257
  296   1HG1  ILE  39          2HG1      ILE  39   2.278   2.204  -2.944
  297   2HG1  ILE  39          1HG1      ILE  39   1.455   3.735  -2.657
  298   1HG2  ILE  39          2HG2      ILE  39   0.522   0.845  -4.074
  299   2HG2  ILE  39          1HG2      ILE  39   1.245   0.128  -2.635
  300   3HG2  ILE  39          3HG2      ILE  39  -0.502   0.069  -2.867
  301   1HD1  ILE  39          1HD1      ILE  39   1.616   2.120  -0.231
  302   2HD1  ILE  39          3HD1      ILE  39   3.211   2.460  -0.904
  303   3HD1  ILE  39          2HD1      ILE  39   2.124   3.787  -0.501
  304    H    ILE  40           H        ILE  40  -1.316   1.365  -4.990
  305    HA   ILE  40           HA       ILE  40  -3.780   0.213  -3.826
  306    HB   ILE  40           HB       ILE  40  -3.864   1.479  -6.579
  307   1HG1  ILE  40          2HG1      ILE  40  -5.191   2.524  -4.059
  308   2HG1  ILE  40          1HG1      ILE  40  -3.654   3.147  -4.655
  309   1HG2  ILE  40          3HG2      ILE  40  -5.376  -0.443  -6.164
  310   2HG2  ILE  40          2HG2      ILE  40  -6.020   0.379  -4.743
  311   3HG2  ILE  40          1HG2      ILE  40  -6.283   1.058  -6.349
  312   1HD1  ILE  40          3HD1      ILE  40  -6.241   3.096  -6.235
  313   2HD1  ILE  40          2HD1      ILE  40  -5.557   4.519  -5.448
  314   3HD1  ILE  40          1HD1      ILE  40  -4.703   3.757  -6.790
  315    H    VAL  41           H        VAL  41  -3.967  -1.891  -4.399
  316    HA   VAL  41           HA       VAL  41  -2.488  -2.874  -6.768
  317    HB   VAL  41           HB       VAL  41  -1.835  -4.849  -5.390
  318   1HG1  VAL  41          2HG1      VAL  41  -0.381  -2.784  -5.819
  319   2HG1  VAL  41          1HG1      VAL  41  -0.766  -2.316  -4.163
  320   3HG1  VAL  41          3HG1      VAL  41   0.097  -3.822  -4.476
  321   1HG2  VAL  41          1HG2      VAL  41  -3.658  -4.109  -3.597
  322   2HG2  VAL  41          3HG2      VAL  41  -2.219  -5.007  -3.120
  323   3HG2  VAL  41          2HG2      VAL  41  -2.275  -3.257  -2.910
  324    H    LYS  42           H        LYS  42  -3.293  -5.085  -7.398
  325    HA   LYS  42           HA       LYS  42  -6.095  -5.581  -6.501
  326   1HB   LYS  42          2HB       LYS  42  -5.283  -4.623  -9.063
  327   2HB   LYS  42          1HB       LYS  42  -5.803  -6.295  -9.271
  328   1HG   LYS  42          2HG       LYS  42  -7.814  -5.530  -7.729
  329   2HG   LYS  42          1HG       LYS  42  -7.376  -3.927  -8.321
  330   1HD   LYS  42          2HD       LYS  42  -7.386  -5.063 -10.674
  331   2HD   LYS  42          1HD       LYS  42  -8.345  -6.313  -9.879
  332   1HE   LYS  42          2HE       LYS  42  -9.988  -4.648  -9.166
  333   2HE   LYS  42          1HE       LYS  42  -9.011  -3.354  -9.860
  334   1HZ   LYS  42          1HZ       LYS  42 -10.157  -5.618 -11.404
  335   2HZ   LYS  42          3HZ       LYS  42 -10.838  -4.067 -11.317
  336   3HZ   LYS  42          2HZ       LYS  42  -9.314  -4.283 -12.036
  337    H    LEU  43           H        LEU  43  -5.737  -7.486  -5.397
  338    HA   LEU  43           HA       LEU  43  -3.804  -9.464  -6.037
  339   1HB   LEU  43          2HB       LEU  43  -6.406  -9.597  -4.518
  340   2HB   LEU  43          1HB       LEU  43  -5.331 -10.971  -4.658
  341    HG   LEU  43           HG       LEU  43  -4.330  -8.293  -3.689
  342   1HD1  LEU  43          2HD1      LEU  43  -5.527 -10.550  -2.056
  343   2HD1  LEU  43          1HD1      LEU  43  -4.589  -9.220  -1.375
  344   3HD1  LEU  43          3HD1      LEU  43  -6.128  -8.897  -2.170
  345   1HD2  LEU  43          2HD2      LEU  43  -2.752 -10.131  -4.456
  346   2HD2  LEU  43          1HD2      LEU  43  -2.509  -9.589  -2.796
  347   3HD2  LEU  43          3HD2      LEU  43  -3.353 -11.104  -3.114
  348    H    SER  44           H        SER  44  -3.911 -11.337  -7.245
  349    HA   SER  44           HA       SER  44  -5.487 -11.413  -9.584
  350   1HB   SER  44          2HB       SER  44  -3.825 -13.467  -8.153
  351   2HB   SER  44          1HB       SER  44  -4.768 -13.921  -9.570
  352    HG   SER  44           HG       SER  44  -3.280 -13.012 -10.726
  353    H    ASP  45           H        ASP  45  -6.159 -12.637  -6.366
  354    HA   ASP  45           HA       ASP  45  -8.229 -14.477  -7.040
  355   1HB   ASP  45          2HB       ASP  45  -7.028 -14.110  -4.772
  356   2HB   ASP  45          1HB       ASP  45  -8.208 -12.825  -4.517
  357    H    GLY  46           H        GLY  46  -8.101 -11.054  -7.241
  358   1HA   GLY  46          2HA       GLY  46  -9.864  -9.830  -8.392
  359   2HA   GLY  46          1HA       GLY  46 -11.038 -10.951  -7.701
  360    NH1  ARG  47           NH1      ARG  47 -11.540  -7.392   0.689
  361    NH2  ARG  47           NH2      ARG  47 -11.944  -9.595   1.051
  362    H    ARG  47           H        ARG  47  -8.380  -9.479  -5.873
  363    HA   ARG  47           HA       ARG  47 -10.452  -8.087  -4.218
  364   1HB   ARG  47          2HB       ARG  47  -8.898  -9.962  -3.277
  365   2HB   ARG  47          1HB       ARG  47  -7.657  -8.713  -3.305
  366   1HG   ARG  47          2HG       ARG  47  -8.527  -7.674  -1.493
  367   2HG   ARG  47          1HG       ARG  47 -10.167  -7.761  -2.139
  368   1HD   ARG  47          2HD       ARG  47 -10.446 -10.015  -1.344
  369   2HD   ARG  47          1HD       ARG  47  -8.741 -10.132  -0.912
  370    HE   ARG  47           HE       ARG  47  -9.166  -8.757   1.014
  371   1HH1  ARG  47          2HH1      ARG  47 -10.912  -6.660   0.425
  372   2HH1  ARG  47          1HH1      ARG  47 -12.483  -7.175   0.943
  373   1HH2  ARG  47          1HH2      ARG  47 -11.627 -10.544   1.061
  374   2HH2  ARG  47          2HH2      ARG  47 -12.889  -9.383   1.304
  375    H    GLU  48           H        GLU  48  -9.671  -6.036  -3.184
  376    HA   GLU  48           HA       GLU  48  -7.591  -4.614  -4.781
  377   1HB   GLU  48          2HB       GLU  48 -10.143  -4.120  -5.357
  378   2HB   GLU  48          1HB       GLU  48 -10.040  -3.119  -3.908
  379   1HG   GLU  48          2HG       GLU  48  -7.691  -2.560  -5.354
  380   2HG   GLU  48          1HG       GLU  48  -8.976  -2.605  -6.561
  381    H    LEU  49           H        LEU  49  -6.056  -4.099  -3.290
  382    HA   LEU  49           HA       LEU  49  -6.999  -3.122  -0.616
  383   1HB   LEU  49          2HB       LEU  49  -5.263  -5.372  -1.246
  384   2HB   LEU  49          1HB       LEU  49  -4.434  -4.179  -0.245
  385    HG   LEU  49           HG       LEU  49  -6.703  -4.222   1.122
  386   1HD1  LEU  49          2HD1      LEU  49  -7.767  -5.795  -0.531
  387   2HD1  LEU  49          1HD1      LEU  49  -6.592  -7.017  -0.046
  388   3HD1  LEU  49          3HD1      LEU  49  -7.760  -6.403   1.124
  389   1HD2  LEU  49          3HD2      LEU  49  -4.316  -4.946   1.767
  390   2HD2  LEU  49          2HD2      LEU  49  -5.639  -5.696   2.657
  391   3HD2  LEU  49          1HD2      LEU  49  -4.830  -6.583   1.364
  392    H    CYS  50           H        CYS  50  -6.298  -1.089  -0.228
  393    HA   CYS  50           HA       CYS  50  -4.164   0.063  -1.887
  394   1HB   CYS  50          2HB       CYS  50  -5.382   1.526   0.366
  395   2HB   CYS  50          1HB       CYS  50  -4.879   2.128  -1.190
  396    H    LEU  51           H        LEU  51  -2.113   0.459  -1.113
  397    HA   LEU  51           HA       LEU  51  -1.484  -0.718   1.504
  398   1HB   LEU  51          2HB       LEU  51   0.348   0.142  -0.723
  399   2HB   LEU  51          1HB       LEU  51   0.824  -0.718   0.719
  400    HG   LEU  51           HG       LEU  51  -0.670  -1.721  -1.669
  401   1HD1  LEU  51          2HD1      LEU  51   1.788  -2.138  -1.121
  402   2HD1  LEU  51          1HD1      LEU  51   1.220  -3.133   0.220
  403   3HD1  LEU  51          3HD1      LEU  51   0.816  -3.576  -1.439
  404   1HD2  LEU  51          3HD2      LEU  51  -1.075  -2.688   1.174
  405   2HD2  LEU  51          2HD2      LEU  51  -2.312  -2.241  -0.001
  406   3HD2  LEU  51          1HD2      LEU  51  -1.376  -3.717  -0.227
  407    H    ASP  52           H        ASP  52   0.043   0.262   2.881
  408    HA   ASP  52           HA       ASP  52  -0.154   3.236   2.952
  409   1HB   ASP  52          2HB       ASP  52  -1.044   1.692   4.858
  410   2HB   ASP  52          1HB       ASP  52   0.654   1.463   5.259
  411    HA   PRO  53           HA       PRO  53   4.183   2.940   1.875
  412   1HB   PRO  53          2HB       PRO  53   4.584   5.669   1.786
  413   2HB   PRO  53          1HB       PRO  53   3.890   4.718   0.460
  414   1HG   PRO  53          2HG       PRO  53   2.502   6.500   2.429
  415   2HG   PRO  53          1HG       PRO  53   2.080   6.143   0.744
  416   1HD   PRO  53          2HD       PRO  53   0.816   5.010   2.958
  417   2HD   PRO  53          1HD       PRO  53   0.812   4.308   1.327
  418    H    LYS  54           H        LYS  54   2.796   4.011   4.791
  419    HA   LYS  54           HA       LYS  54   5.025   5.194   6.091
  420   1HB   LYS  54          2HB       LYS  54   2.459   3.966   6.939
  421   2HB   LYS  54          1HB       LYS  54   3.729   4.049   8.158
  422   1HG   LYS  54          2HG       LYS  54   3.894   6.549   7.058
  423   2HG   LYS  54          1HG       LYS  54   2.165   6.228   6.919
  424   1HD   LYS  54          2HD       LYS  54   2.283   7.132   9.063
  425   2HD   LYS  54          1HD       LYS  54   2.414   5.409   9.411
  426   1HE   LYS  54          2HE       LYS  54   5.032   6.028   8.975
  427   2HE   LYS  54          1HE       LYS  54   4.449   7.545   9.661
  428   1HZ   LYS  54          2HZ       LYS  54   3.535   6.305  11.528
  429   2HZ   LYS  54          1HZ       LYS  54   4.123   4.851  10.872
  430   3HZ   LYS  54          3HZ       LYS  54   5.209   6.048  11.388
  431    H    GLU  55           H        GLU  55   4.166   1.812   5.471
  432    HA   GLU  55           HA       GLU  55   6.183   0.796   7.337
  433   1HB   GLU  55          2HB       GLU  55   4.567  -0.567   5.171
  434   2HB   GLU  55          1HB       GLU  55   5.649  -1.396   6.272
  435   1HG   GLU  55          2HG       GLU  55   3.776  -1.631   7.539
  436   2HG   GLU  55          1HG       GLU  55   4.167   0.003   8.046
  437    H    ASN  56           H        ASN  56   7.925  -0.612   6.524
  438    HA   ASN  56           HA       ASN  56   9.282   0.622   4.212
  439   1HB   ASN  56          2HB       ASN  56  10.125  -0.623   6.639
  440   2HB   ASN  56          1HB       ASN  56  10.834  -1.470   5.273
  441   1HD2  ASN  56          2HD2      ASN  56  12.212   2.198   6.251
  442   2HD2  ASN  56          1HD2      ASN  56  11.067   1.385   7.204
  443    CH2  TRP  57           CH2      TRP  57   1.703  -4.313   2.374
  444    H    TRP  57           H        TRP  57   7.391  -2.146   4.977
  445    HA   TRP  57           HA       TRP  57   8.514  -3.830   2.913
  446   1HB   TRP  57          2HB       TRP  57   6.910  -5.441   3.569
  447   2HB   TRP  57          1HB       TRP  57   7.404  -4.655   5.040
  448    HD1  TRP  57           HD1      TRP  57   5.616  -3.514   6.418
  449    HE1  TRP  57           HE1      TRP  57   3.074  -3.268   6.211
  450    HE3  TRP  57           HE3      TRP  57   4.946  -5.036   1.605
  451    HZ2  TRP  57           HZ2      TRP  57   1.022  -3.584   4.284
  452    HZ3  TRP  57           HZ3      TRP  57   2.683  -5.030   0.601
  453    HH2  TRP  57           HH2      TRP  57   0.719  -4.316   1.931
  454    H    VAL  58           H        VAL  58   5.707  -1.700   3.264
  455    HA   VAL  58           HA       VAL  58   4.478  -2.400   0.757
  456    HB   VAL  58           HB       VAL  58   4.350  -0.007   2.571
  457   1HG1  VAL  58          2HG1      VAL  58   3.372  -0.179  -0.264
  458   2HG1  VAL  58          1HG1      VAL  58   2.458   0.748   0.927
  459   3HG1  VAL  58          3HG1      VAL  58   4.130   1.179   0.568
  460   1HG2  VAL  58          2HG2      VAL  58   2.494  -2.181   1.652
  461   2HG2  VAL  58          1HG2      VAL  58   2.955  -1.741   3.295
  462   3HG2  VAL  58          3HG2      VAL  58   1.864  -0.705   2.381
  463    H    GLN  59           H        GLN  59   6.896   0.076   1.635
  464    HA   GLN  59           HA       GLN  59   7.129   1.078  -1.064
  465   1HB   GLN  59          2HB       GLN  59   8.935   2.420  -0.213
  466   2HB   GLN  59          1HB       GLN  59   7.642   2.412   0.982
  467   1HG   GLN  59          2HG       GLN  59   8.802   0.535   2.135
  468   2HG   GLN  59          1HG       GLN  59  10.140   0.722   1.008
  469   1HE2  GLN  59          2HE2      GLN  59   9.563   3.566   3.919
  470   2HE2  GLN  59          1HE2      GLN  59   8.305   2.493   3.538
  471    NH1  ARG  60           NH1      ARG  60  15.395  -4.392  -0.472
  472    NH2  ARG  60           NH2      ARG  60  16.026  -2.215  -0.555
  473    H    ARG  60           H        ARG  60   8.620  -1.540   0.709
  474    HA   ARG  60           HA       ARG  60  10.808  -1.852  -1.240
  475   1HB   ARG  60          2HB       ARG  60  10.637  -2.576   1.355
  476   2HB   ARG  60          1HB       ARG  60  10.074  -4.072   0.615
  477   1HG   ARG  60          2HG       ARG  60  12.396  -4.392   0.705
  478   2HG   ARG  60          1HG       ARG  60  12.155  -3.797  -0.938
  479   1HD   ARG  60          2HD       ARG  60  13.124  -1.758  -0.493
  480   2HD   ARG  60          1HD       ARG  60  12.589  -1.752   1.188
  481    HE   ARG  60           HE       ARG  60  14.550  -2.971   1.781
  482   1HH1  ARG  60          2HH1      ARG  60  14.806  -5.110  -0.097
  483   2HH1  ARG  60          1HH1      ARG  60  16.088  -4.622  -1.156
  484   1HH2  ARG  60          1HH2      ARG  60  15.919  -1.270  -0.245
  485   2HH2  ARG  60          2HH2      ARG  60  16.720  -2.440  -1.241
  486    H    VAL  61           H        VAL  61   7.716  -3.379  -0.405
  487    HA   VAL  61           HA       VAL  61   7.825  -5.496  -2.337
  488    HB   VAL  61           HB       VAL  61   5.566  -4.088  -0.895
  489   1HG1  VAL  61          1HG1      VAL  61   5.432  -6.301  -2.943
  490   2HG1  VAL  61          3HG1      VAL  61   4.164  -6.047  -1.746
  491   3HG1  VAL  61          2HG1      VAL  61   4.529  -4.785  -2.924
  492   1HG2  VAL  61          3HG2      VAL  61   6.737  -6.883  -0.732
  493   2HG2  VAL  61          2HG2      VAL  61   7.029  -5.577   0.416
  494   3HG2  VAL  61          1HG2      VAL  61   5.415  -6.270   0.261
  495    H    VAL  62           H        VAL  62   6.641  -2.144  -2.485
  496    HA   VAL  62           HA       VAL  62   5.575  -2.366  -5.170
  497    HB   VAL  62           HB       VAL  62   6.373  -0.012  -3.438
  498   1HG1  VAL  62          2HG1      VAL  62   5.341  -0.049  -6.284
  499   2HG1  VAL  62          1HG1      VAL  62   5.153   1.350  -5.228
  500   3HG1  VAL  62          3HG1      VAL  62   6.765   0.782  -5.659
  501   1HG2  VAL  62          1HG2      VAL  62   4.248  -1.493  -3.095
  502   2HG2  VAL  62          3HG2      VAL  62   4.061   0.261  -3.097
  503   3HG2  VAL  62          2HG2      VAL  62   3.643  -0.672  -4.534
  504    H    GLU  63           H        GLU  63   8.715  -1.343  -3.810
  505    HA   GLU  63           HA       GLU  63   9.858  -0.531  -6.297
  506   1HB   GLU  63          2HB       GLU  63  10.817  -1.014  -3.557
  507   2HB   GLU  63          1HB       GLU  63  12.016  -1.376  -4.799
  508   1HG   GLU  63          2HG       GLU  63  11.296   0.927  -5.811
  509   2HG   GLU  63          1HG       GLU  63  10.656   1.239  -4.197
  510    H    LYS  64           H        LYS  64   9.801  -3.657  -4.589
  511    HA   LYS  64           HA       LYS  64  11.501  -4.988  -6.487
  512   1HB   LYS  64          2HB       LYS  64  10.745  -5.662  -4.028
  513   2HB   LYS  64          1HB       LYS  64   9.469  -6.508  -4.904
  514   1HG   LYS  64          2HG       LYS  64  11.041  -7.824  -6.125
  515   2HG   LYS  64          1HG       LYS  64  12.390  -6.803  -5.628
  516   1HD   LYS  64          2HD       LYS  64  11.881  -7.493  -3.232
  517   2HD   LYS  64          1HD       LYS  64  10.778  -8.697  -3.902
  518   1HE   LYS  64          2HE       LYS  64  12.494  -9.953  -4.836
  519   2HE   LYS  64          1HE       LYS  64  13.577  -8.568  -4.968
  520   1HZ   LYS  64          3HZ       LYS  64  13.708  -8.568  -2.508
  521   2HZ   LYS  64          2HZ       LYS  64  12.816 -10.014  -2.488
  522   3HZ   LYS  64          1HZ       LYS  64  14.349  -9.967  -3.219
  523    H    PHE  65           H        PHE  65   8.066  -4.292  -6.327
  524    HA   PHE  65           HA       PHE  65   7.311  -6.210  -8.400
  525   1HB   PHE  65          2HB       PHE  65   5.851  -5.198  -6.491
  526   2HB   PHE  65          1HB       PHE  65   5.673  -3.822  -7.570
  527    HD1  PHE  65           HD1      PHE  65   5.398  -7.570  -7.578
  528    HD2  PHE  65           HD2      PHE  65   3.979  -3.845  -9.181
  529    HE1  PHE  65           HE1      PHE  65   3.652  -8.780  -8.857
  530    HE2  PHE  65           HE2      PHE  65   2.234  -5.056 -10.459
  531    HZ   PHE  65           HZ       PHE  65   2.073  -7.526 -10.297
  532    H    LEU  66           H        LEU  66   7.704  -2.654  -8.228
  533    HA   LEU  66           HA       LEU  66   7.290  -2.420 -11.142
  534   1HB   LEU  66          2HB       LEU  66   6.438  -0.705  -9.509
  535   2HB   LEU  66          1HB       LEU  66   8.112  -0.277  -9.160
  536    HG   LEU  66           HG       LEU  66   8.287  -0.032 -11.781
  537   1HD1  LEU  66          3HD1      LEU  66   5.327   0.038 -11.213
  538   2HD1  LEU  66          2HD1      LEU  66   6.008   0.982 -12.538
  539   3HD1  LEU  66          1HD1      LEU  66   6.181  -0.774 -12.526
  540   1HD2  LEU  66          2HD2      LEU  66   8.550   1.788 -10.107
  541   2HD2  LEU  66          1HD2      LEU  66   7.706   2.343 -11.551
  542   3HD2  LEU  66          3HD2      LEU  66   6.799   1.995 -10.079
  543    H    LYS  67           H        LYS  67   9.937  -1.664  -8.846
  544    HA   LYS  67           HA       LYS  67  12.253  -1.643  -9.133
  545   1HB   LYS  67          2HB       LYS  67  11.328  -3.812 -10.668
  546   2HB   LYS  67          1HB       LYS  67  12.444  -2.944 -11.723
  547   1HG   LYS  67          2HG       LYS  67  13.241  -3.431  -8.873
  548   2HG   LYS  67          1HG       LYS  67  13.347  -4.764 -10.023
  549   1HD   LYS  67          2HD       LYS  67  15.394  -3.895 -10.503
  550   2HD   LYS  67          1HD       LYS  67  14.482  -2.730 -11.463
  551   1HE   LYS  67          2HE       LYS  67  14.390  -1.202  -9.523
  552   2HE   LYS  67          1HE       LYS  67  15.302  -2.366  -8.564
  553   1HZ   LYS  67          1HZ       LYS  67  16.262  -1.092 -11.072
  554   2HZ   LYS  67          3HZ       LYS  67  16.718  -0.628  -9.504
  555   3HZ   LYS  67          2HZ       LYS  67  17.143  -2.164 -10.090
  556    NH1  ARG  68           NH1      ARG  68  11.829   2.426 -18.082
  557    NH2  ARG  68           NH2      ARG  68  12.027   4.416 -17.012
  558    H    ARG  68           H        ARG  68  10.567   0.504 -10.247
  559    HA   ARG  68           HA       ARG  68  12.572   1.632 -12.126
  560   1HB   ARG  68          2HB       ARG  68   9.693   1.112 -12.711
  561   2HB   ARG  68          1HB       ARG  68  10.368   2.631 -13.288
  562   1HG   ARG  68          2HG       ARG  68  11.913   0.108 -13.769
  563   2HG   ARG  68          1HG       ARG  68  10.507   0.442 -14.779
  564   1HD   ARG  68          2HD       ARG  68  12.585   2.575 -14.323
  565   2HD   ARG  68          1HD       ARG  68  12.836   1.334 -15.551
  566    HE   ARG  68           HE       ARG  68  10.242   2.705 -15.713
  567   1HH1  ARG  68          2HH1      ARG  68  11.566   1.461 -18.073
  568   2HH1  ARG  68          1HH1      ARG  68  12.202   2.835 -18.915
  569   1HH2  ARG  68          1HH2      ARG  68  11.916   4.971 -16.188
  570   2HH2  ARG  68          2HH2      ARG  68  12.400   4.828 -17.845
  571    H    ALA  69           H        ALA  69  11.687   4.074 -12.574
  572    HA   ALA  69           HA       ALA  69  11.361   6.197 -11.644
  573   1HB   ALA  69          2HB       ALA  69   9.141   4.904 -10.995
  574   2HB   ALA  69          1HB       ALA  69   9.803   5.028  -9.365
  575   3HB   ALA  69          3HB       ALA  69   9.490   6.488 -10.303
  576    H    GLU  70           H        GLU  70  11.609   7.414  -9.406
  577    HA   GLU  70           HA       GLU  70  13.209   8.077  -7.832
  578   1HB   GLU  70          2HB       GLU  70  13.234   6.730  -5.881
  579   2HB   GLU  70          1HB       GLU  70  11.676   6.409  -6.634
  580   1HG   GLU  70          2HG       GLU  70  12.205   4.240  -7.114
  581   2HG   GLU  70          1HG       GLU  70  13.885   4.621  -7.485
  582    H    ASN  71           H        ASN  71  15.231   6.502  -6.489
  583    HA   ASN  71           HA       ASN  71  16.922   5.399  -8.636
  584   1HB   ASN  71          2HB       ASN  71  17.152   8.059  -8.258
  585   2HB   ASN  71          1HB       ASN  71  18.266   7.501  -7.009
  586   1HD2  ASN  71          2HD2      ASN  71  20.649   6.218  -9.338
  587   2HD2  ASN  71          1HD2      ASN  71  20.138   6.182  -7.721
  588    H    SER  72           H        SER  72  17.085   6.558  -5.229
  589    HA   SER  72           HA       SER  72  18.396   3.950  -4.563
  590   1HB   SER  72          2HB       SER  72  19.442   5.179  -2.641
  591   2HB   SER  72          1HB       SER  72  19.959   5.770  -4.218
  592    HG   SER  72           HG       SER  72  19.204   7.325  -2.480
  593   1HC   CH3  25          1H        LEU  25   0.064  -3.647 -11.883
  594   2HC   CH3  25          2H        LEU  25  -0.394  -1.994 -11.473
  595   3HC   CH3  25          3H        LEU  25   1.152  -2.643 -10.928
   
  Start of MODEL           9
 Raw file had  595 H/Q atoms
  Start of MODEL    9
    1   1H    GLU   4          3H        GLU   4 -16.216  15.519  -1.018
    2   2H    GLU   4          2H        GLU   4 -17.543  14.458  -1.044
    3   3H    GLU   4          1H        GLU   4 -16.225  14.148  -0.020
    4    HA   GLU   4           HA       GLU   4 -15.997  12.676  -1.828
    5   1HB   GLU   4          2HB       GLU   4 -15.981  13.520  -4.168
    6   2HB   GLU   4          1HB       GLU   4 -17.531  13.795  -3.377
    7   1HG   GLU   4          2HG       GLU   4 -16.916  16.127  -2.919
    8   2HG   GLU   4          1HG       GLU   4 -15.326  15.866  -3.635
    9    H    LEU   5           H        LEU   5 -13.902  12.166  -2.582
   10    HA   LEU   5           HA       LEU   5 -11.883  14.307  -2.728
   11   1HB   LEU   5          2HB       LEU   5 -10.349  12.880  -1.185
   12   2HB   LEU   5          1HB       LEU   5 -11.543  13.928  -0.442
   13    HG   LEU   5           HG       LEU   5 -11.357  11.583   0.531
   14   1HD1  LEU   5          3HD1      LEU   5 -13.523  13.236   0.273
   15   2HD1  LEU   5          2HD1      LEU   5 -14.150  11.727  -0.390
   16   3HD1  LEU   5          1HD1      LEU   5 -13.494  11.767   1.246
   17   1HD2  LEU   5          2HD2      LEU   5 -11.223  10.571  -1.861
   18   2HD2  LEU   5          1HD2      LEU   5 -12.157   9.711  -0.639
   19   3HD2  LEU   5          3HD2      LEU   5 -12.982  10.694  -1.847
   20    NH1  ARG   6           NH1      ARG   6  -6.622  12.819 -10.790
   21    NH2  ARG   6           NH2      ARG   6  -5.237  14.106  -9.539
   22    H    ARG   6           H        ARG   6  -9.638  13.188  -3.188
   23    HA   ARG   6           HA       ARG   6 -10.109  11.316  -5.421
   24   1HB   ARG   6          2HB       ARG   6  -8.389  13.488  -5.027
   25   2HB   ARG   6          1HB       ARG   6  -7.351  12.068  -5.095
   26   1HG   ARG   6          2HG       ARG   6  -8.905  11.453  -7.160
   27   2HG   ARG   6          1HG       ARG   6  -9.158  13.199  -7.198
   28   1HD   ARG   6          2HD       ARG   6  -6.432  13.023  -6.851
   29   2HD   ARG   6          1HD       ARG   6  -6.760  11.636  -7.886
   30    HE   ARG   6           HE       ARG   6  -8.023  14.127  -8.785
   31   1HH1  ARG   6          2HH1      ARG   6  -7.492  12.339 -10.903
   32   2HH1  ARG   6          1HH1      ARG   6  -5.940  12.796 -11.521
   33   1HH2  ARG   6          1HH2      ARG   6  -5.049  14.610  -8.695
   34   2HH2  ARG   6          2HH2      ARG   6  -4.554  14.084 -10.269
   35    H    CYS   7           H        CYS   7  -8.968  11.256  -2.214
   36    HA   CYS   7           HA       CYS   7  -6.991   9.285  -2.156
   37   1HB   CYS   7          2HB       CYS   7  -9.275   9.429  -0.177
   38   2HB   CYS   7          1HB       CYS   7  -7.653   8.816   0.104
   39    H    GLN   8           H        GLN   8 -10.498   8.661  -1.905
   40    HA   GLN   8           HA       GLN   8 -11.780   6.855  -2.614
   41   1HB   GLN   8          2HB       GLN   8 -10.448   6.995  -4.702
   42   2HB   GLN   8          1HB       GLN   8  -9.248   5.931  -3.982
   43   1HG   GLN   8          2HG       GLN   8 -10.490   4.086  -4.403
   44   2HG   GLN   8          1HG       GLN   8 -11.952   4.840  -3.771
   45   1HE2  GLN   8          2HE2      GLN   8 -13.244   5.435  -6.989
   46   2HE2  GLN   8          1HE2      GLN   8 -13.537   5.261  -5.327
   47    H    CYS   9           H        CYS   9  -8.751   6.348  -0.902
   48    HA   CYS   9           HA       CYS   9  -9.847   3.774   0.154
   49   1HB   CYS   9          2HB       CYS   9  -7.079   4.669  -0.533
   50   2HB   CYS   9          1HB       CYS   9  -7.283   3.572   0.826
   51    H    ILE  10           H        ILE  10 -10.756   4.217   2.101
   52    HA   ILE  10           HA       ILE  10  -9.736   6.393   3.803
   53    HB   ILE  10           HB       ILE  10 -11.924   4.347   4.317
   54   1HG1  ILE  10          2HG1      ILE  10 -12.987   6.938   3.980
   55   2HG1  ILE  10          1HG1      ILE  10 -11.814   6.740   2.677
   56   1HG2  ILE  10          3HG2      ILE  10 -10.991   6.813   5.794
   57   2HG2  ILE  10          2HG2      ILE  10 -12.632   6.193   5.978
   58   3HG2  ILE  10          1HG2      ILE  10 -11.256   5.189   6.431
   59   1HD1  ILE  10          2HD1      ILE  10 -13.047   4.306   2.625
   60   2HD1  ILE  10          1HD1      ILE  10 -14.380   5.342   3.133
   61   3HD1  ILE  10          3HD1      ILE  10 -13.532   5.674   1.623
   62    H    LYS  11           H        LYS  11  -9.461   2.905   3.560
   63    HA   LYS  11           HA       LYS  11  -7.738   2.924   6.013
   64   1HB   LYS  11          2HB       LYS  11  -9.660   0.783   5.052
   65   2HB   LYS  11          1HB       LYS  11  -8.451   0.514   6.306
   66   1HG   LYS  11          2HG       LYS  11  -9.521   1.908   7.831
   67   2HG   LYS  11          1HG       LYS  11 -10.320   2.847   6.569
   68   1HD   LYS  11          2HD       LYS  11 -11.884   1.088   6.122
   69   2HD   LYS  11          1HD       LYS  11 -10.971  -0.061   7.100
   70   1HE   LYS  11          2HE       LYS  11 -11.643   0.925   9.118
   71   2HE   LYS  11          1HE       LYS  11 -12.046   2.459   8.347
   72   1HZ   LYS  11          3HZ       LYS  11 -13.511  -0.086   7.900
   73   2HZ   LYS  11          2HZ       LYS  11 -14.011   1.139   8.965
   74   3HZ   LYS  11          1HZ       LYS  11 -13.930   1.443   7.297
   75    H    THR  12           H        THR  12  -5.697   2.076   5.692
   76    HA   THR  12           HA       THR  12  -5.139   0.967   2.985
   77    HB   THR  12           HB       THR  12  -2.674   1.327   4.110
   78    HG1  THR  12           HG1      THR  12  -2.745   2.836   5.558
   79   1HG2  THR  12          1HG2      THR  12  -3.419   2.006   1.886
   80   2HG2  THR  12          3HG2      THR  12  -4.347   3.330   2.589
   81   3HG2  THR  12          2HG2      THR  12  -2.587   3.333   2.697
   82    OH   TYR  13           OH       TYR  13  -3.119  -8.603   4.535
   83    H    TYR  13           H        TYR  13  -2.808  -0.375   3.438
   84    HA   TYR  13           HA       TYR  13  -3.712  -2.648   5.140
   85   1HB   TYR  13          2HB       TYR  13  -3.507  -2.827   2.540
   86   2HB   TYR  13          1HB       TYR  13  -1.774  -2.885   2.848
   87    HD1  TYR  13           HD2      TYR  13  -4.338  -4.247   5.143
   88    HD2  TYR  13           HD1      TYR  13  -1.405  -5.115   2.135
   89    HE1  TYR  13           HE2      TYR  13  -4.491  -6.666   5.701
   90    HE2  TYR  13           HE1      TYR  13  -1.555  -7.539   2.683
   91    HH   TYR  13           HH       TYR  13  -3.772  -9.001   3.953
   92    H    SER  14           H        SER  14  -2.574  -2.494   7.026
   93    HA   SER  14           HA       SER  14   0.214  -1.542   7.043
   94   1HB   SER  14          2HB       SER  14  -1.577  -1.142   8.888
   95   2HB   SER  14          1HB       SER  14  -1.218  -2.792   9.390
   96    HG   SER  14           HG       SER  14   0.120  -1.339  10.483
   97    H    LYS  15           H        LYS  15  -1.530  -4.592   7.115
   98    HA   LYS  15           HA       LYS  15   0.778  -6.170   7.934
   99   1HB   LYS  15          2HB       LYS  15  -1.207  -7.633   6.366
  100   2HB   LYS  15          1HB       LYS  15  -0.632  -7.937   7.987
  101   1HG   LYS  15          2HG       LYS  15  -2.706  -5.839   7.292
  102   2HG   LYS  15          1HG       LYS  15  -3.078  -7.447   7.900
  103   1HD   LYS  15          2HD       LYS  15  -2.378  -6.967  10.027
  104   2HD   LYS  15          1HD       LYS  15  -1.102  -5.882   9.477
  105   1HE   LYS  15          2HE       LYS  15  -2.625  -4.385  10.432
  106   2HE   LYS  15          1HE       LYS  15  -3.097  -4.346   8.734
  107   1HZ   LYS  15          2HZ       LYS  15  -4.338  -6.116  10.772
  108   2HZ   LYS  15          1HZ       LYS  15  -4.983  -4.622  10.285
  109   3HZ   LYS  15          3HZ       LYS  15  -4.851  -5.891   9.167
  110    HA   PRO  16           HA       PRO  16   2.585  -6.160   3.905
  111   1HB   PRO  16          2HB       PRO  16   4.630  -7.874   4.515
  112   2HB   PRO  16          1HB       PRO  16   4.598  -6.183   4.998
  113   1HG   PRO  16          2HG       PRO  16   4.212  -8.602   6.671
  114   2HG   PRO  16          1HG       PRO  16   4.695  -6.970   7.161
  115   1HD   PRO  16          2HD       PRO  16   2.090  -8.144   7.399
  116   2HD   PRO  16          1HD       PRO  16   2.538  -6.468   7.762
  117    H    PHE  17           H        PHE  17   2.976  -7.650   2.125
  118    HA   PHE  17           HA       PHE  17   2.303 -10.476   2.415
  119   1HB   PHE  17          2HB       PHE  17   0.285 -10.541   1.155
  120   2HB   PHE  17          1HB       PHE  17   0.054  -9.271   2.349
  121    HD1  PHE  17           HD1      PHE  17   0.628  -6.826   1.578
  122    HD2  PHE  17           HD2      PHE  17  -0.068 -10.104  -1.112
  123    HE1  PHE  17           HE1      PHE  17   0.119  -5.225  -0.248
  124    HE2  PHE  17           HE2      PHE  17  -0.571  -8.502  -2.935
  125    HZ   PHE  17           HZ       PHE  17  -0.481  -6.065  -2.502
  126    H    HIS  18           H        HIS  18   2.590 -11.669   0.374
  127    HA   HIS  18           HA       HIS  18   4.843 -10.704  -1.121
  128   1HB   HIS  18          2HB       HIS  18   4.659 -13.036  -0.779
  129   2HB   HIS  18          1HB       HIS  18   3.017 -13.070  -1.411
  130    HD1  HIS  18           HD1      HIS  18   6.607 -12.910  -2.510
  131    HD2  HIS  18           HD2      HIS  18   2.815 -12.920  -4.171
  132    HE1  HIS  18           HE1      HIS  18   6.909 -13.242  -5.013
  133    HA   PRO  19           HA       PRO  19   2.810  -8.208  -4.086
  134   1HB   PRO  19          2HB       PRO  19   4.938  -7.873  -5.768
  135   2HB   PRO  19          1HB       PRO  19   4.762  -7.054  -4.211
  136   1HG   PRO  19          2HG       PRO  19   6.526  -9.343  -4.945
  137   2HG   PRO  19          1HG       PRO  19   6.758  -8.103  -3.702
  138   1HD   PRO  19          2HD       PRO  19   5.883 -10.745  -3.248
  139   2HD   PRO  19          1HD       PRO  19   5.776  -9.407  -2.090
  140    H    LYS  20           H        LYS  20   4.669 -10.941  -5.537
  141    HA   LYS  20           HA       LYS  20   3.719 -10.731  -8.143
  142   1HB   LYS  20          2HB       LYS  20   5.347 -12.473  -7.141
  143   2HB   LYS  20          1HB       LYS  20   3.896 -13.445  -6.969
  144   1HG   LYS  20          2HG       LYS  20   3.606 -13.693  -9.234
  145   2HG   LYS  20          1HG       LYS  20   4.302 -12.112  -9.593
  146   1HD   LYS  20          2HD       LYS  20   5.948 -13.598 -10.374
  147   2HD   LYS  20          1HD       LYS  20   6.539 -13.165  -8.769
  148   1HE   LYS  20          2HE       LYS  20   4.687 -15.451  -8.760
  149   2HE   LYS  20          1HE       LYS  20   6.165 -15.746  -9.673
  150   1HZ   LYS  20          2HZ       LYS  20   7.432 -14.964  -7.734
  151   2HZ   LYS  20          1HZ       LYS  20   5.984 -14.813  -6.859
  152   3HZ   LYS  20          3HZ       LYS  20   6.498 -16.340  -7.386
  153    H    PHE  21           H        PHE  21   1.851 -11.789  -5.357
  154    HA   PHE  21           HA       PHE  21  -0.292 -13.088  -6.720
  155   1HB   PHE  21          2HB       PHE  21  -0.524 -11.347  -4.293
  156   2HB   PHE  21          1HB       PHE  21  -1.636 -12.598  -4.780
  157    HD1  PHE  21           HD2      PHE  21   0.652 -14.584  -5.634
  158    HD2  PHE  21           HD1      PHE  21  -0.111 -12.265  -2.097
  159    HE1  PHE  21           HE2      PHE  21   1.924 -16.224  -4.277
  160    HE2  PHE  21           HE1      PHE  21   1.156 -13.908  -0.743
  161    HZ   PHE  21           HZ       PHE  21   2.173 -15.890  -1.834
  162    H    ILE  22           H        ILE  22   0.423  -9.720  -6.014
  163    HA   ILE  22           HA       ILE  22  -1.981  -8.473  -6.852
  164    HB   ILE  22           HB       ILE  22   0.881  -7.480  -7.069
  165   1HG1  ILE  22          2HG1      ILE  22  -1.091  -6.710  -4.931
  166   2HG1  ILE  22          1HG1      ILE  22  -0.180  -8.211  -4.778
  167   1HG2  ILE  22          1HG2      ILE  22  -1.780  -6.198  -7.506
  168   2HG2  ILE  22          3HG2      ILE  22  -0.514  -5.244  -6.738
  169   3HG2  ILE  22          2HG2      ILE  22  -0.254  -5.925  -8.343
  170   1HD1  ILE  22          1HD1      ILE  22   1.844  -6.567  -5.442
  171   2HD1  ILE  22          3HD1      ILE  22   0.781  -5.396  -4.664
  172   3HD1  ILE  22          2HD1      ILE  22   1.338  -6.810  -3.771
  173    H    LYS  23           H        LYS  23  -2.928  -8.504  -8.800
  174    HA   LYS  23           HA       LYS  23  -1.454  -9.336 -11.200
  175   1HB   LYS  23          2HB       LYS  23  -3.891  -9.945 -10.657
  176   2HB   LYS  23          1HB       LYS  23  -4.292  -8.280 -11.074
  177   1HG   LYS  23          2HG       LYS  23  -4.581  -9.288 -13.140
  178   2HG   LYS  23          1HG       LYS  23  -2.880  -8.841 -13.255
  179   1HD   LYS  23          2HD       LYS  23  -2.641 -11.053 -13.801
  180   2HD   LYS  23          1HD       LYS  23  -2.627 -11.248 -12.049
  181   1HE   LYS  23          2HE       LYS  23  -4.846 -11.990 -11.981
  182   2HE   LYS  23          1HE       LYS  23  -5.245 -11.247 -13.530
  183   1HZ   LYS  23          3HZ       LYS  23  -3.355 -13.515 -13.231
  184   2HZ   LYS  23          2HZ       LYS  23  -5.003 -13.703 -13.596
  185   3HZ   LYS  23          1HZ       LYS  23  -3.980 -12.881 -14.676
  186    H    GLU  24           H        GLU  24  -2.603  -6.362  -9.707
  187    HA   GLU  24           HA       GLU  24  -1.105  -4.794 -11.718
  188   1HB   GLU  24          2HB       GLU  24  -4.086  -4.692 -11.357
  189   2HB   GLU  24          1HB       GLU  24  -3.219  -3.209 -11.758
  190   1HG   GLU  24          2HG       GLU  24  -2.093  -4.700 -13.610
  191   2HG   GLU  24          1HG       GLU  24  -3.508  -5.727 -13.374
  192    HA   LEU  25           HA       LEU  25  -0.947  -2.557  -7.830
  193   1HB   LEU  25          2HB       LEU  25   1.093  -3.712  -7.452
  194   2HB   LEU  25          1HB       LEU  25   1.875  -2.956  -8.838
  195    HG   LEU  25           HG       LEU  25   0.900  -0.990  -6.894
  196   1HD1  LEU  25          1HD1      LEU  25   1.982  -3.312  -5.762
  197   2HD1  LEU  25          3HD1      LEU  25   3.313  -2.156  -5.783
  198   3HD1  LEU  25          2HD1      LEU  25   1.800  -1.743  -4.978
  199   1HD2  LEU  25          3HD2      LEU  25   3.026  -1.380  -8.792
  200   2HD2  LEU  25          2HD2      LEU  25   2.537   0.110  -7.986
  201   3HD2  LEU  25          1HD2      LEU  25   3.729  -0.949  -7.232
  202    NH1  ARG  26           NH2      ARG  26  -2.345   1.622 -15.165
  203    NH2  ARG  26           NH1      ARG  26  -3.893   3.277 -15.265
  204    H    ARG  26           H        ARG  26  -1.940  -0.576  -8.179
  205    HA   ARG  26           HA       ARG  26  -0.297   1.430  -9.637
  206   1HB   ARG  26          2HB       ARG  26  -2.958   0.580 -10.149
  207   2HB   ARG  26          1HB       ARG  26  -3.006   2.256  -9.615
  208   1HG   ARG  26          2HG       ARG  26  -1.111   2.690 -11.276
  209   2HG   ARG  26          1HG       ARG  26  -1.462   1.093 -11.936
  210   1HD   ARG  26          2HD       ARG  26  -3.739   1.743 -12.459
  211   2HD   ARG  26          1HD       ARG  26  -3.532   3.290 -11.637
  212    HE   ARG  26           HE       ARG  26  -1.858   3.858 -13.439
  213   1HH1  ARG  26          1HH2      ARG  26  -1.598   1.163 -14.683
  214   2HH1  ARG  26          2HH2      ARG  26  -2.655   1.275 -16.051
  215   1HH2  ARG  26          2HH1      ARG  26  -4.329   4.081 -14.860
  216   2HH2  ARG  26          1HH1      ARG  26  -4.207   2.934 -16.151
  217    H    VAL  27           H        VAL  27   0.345   3.116  -8.356
  218    HA   VAL  27           HA       VAL  27  -1.062   3.531  -5.771
  219    HB   VAL  27           HB       VAL  27   0.985   4.691  -5.085
  220   1HG1  VAL  27          3HG1      VAL  27   0.762   2.158  -4.999
  221   2HG1  VAL  27          2HG1      VAL  27   1.764   2.112  -6.448
  222   3HG1  VAL  27          1HG1      VAL  27   2.411   2.779  -4.949
  223   1HG2  VAL  27          2HG2      VAL  27   1.555   5.609  -7.348
  224   2HG2  VAL  27          1HG2      VAL  27   2.926   4.843  -6.546
  225   3HG2  VAL  27          3HG2      VAL  27   2.067   3.991  -7.829
  226    H    ILE  28           H        ILE  28  -1.745   5.653  -5.152
  227    HA   ILE  28           HA       ILE  28  -2.091   7.519  -7.461
  228    HB   ILE  28           HB       ILE  28  -3.531   7.394  -4.786
  229   1HG1  ILE  28          2HG1      ILE  28  -4.477   6.786  -7.610
  230   2HG1  ILE  28          1HG1      ILE  28  -4.100   5.571  -6.388
  231   1HG2  ILE  28          1HG2      ILE  28  -3.949   9.197  -7.195
  232   2HG2  ILE  28          3HG2      ILE  28  -5.016   9.119  -5.793
  233   3HG2  ILE  28          2HG2      ILE  28  -3.362   9.704  -5.612
  234   1HD1  ILE  28          1HD1      ILE  28  -5.842   6.610  -4.905
  235   2HD1  ILE  28          3HD1      ILE  28  -6.281   7.673  -6.243
  236   3HD1  ILE  28          2HD1      ILE  28  -6.501   5.931  -6.393
  237    H    GLU  29           H        GLU  29  -1.038   9.465  -7.444
  238    HA   GLU  29           HA       GLU  29   1.053   9.965  -5.560
  239   1HB   GLU  29          2HB       GLU  29   1.161  12.223  -6.667
  240   2HB   GLU  29          1HB       GLU  29   1.260  10.867  -7.774
  241   1HG   GLU  29          2HG       GLU  29  -1.506  11.635  -7.342
  242   2HG   GLU  29          1HG       GLU  29  -0.555  13.014  -7.891
  243    H    SER  30           H        SER  30   1.208  12.170  -4.421
  244    HA   SER  30           HA       SER  30  -1.248  12.506  -2.771
  245   1HB   SER  30          2HB       SER  30   0.538  13.891  -1.376
  246   2HB   SER  30          1HB       SER  30   0.461  12.139  -1.256
  247    HG   SER  30           HG       SER  30   2.503  12.336  -1.793
  248    H    GLY  31           H        GLY  31  -1.743  14.759  -2.070
  249   1HA   GLY  31          2HA       GLY  31  -0.733  17.091  -3.337
  250   2HA   GLY  31          1HA       GLY  31  -2.090  16.510  -4.294
  251    HA   PRO  32           HA       PRO  32  -4.058  19.040  -1.030
  252   1HB   PRO  32          2HB       PRO  32  -5.996  20.034  -2.719
  253   2HB   PRO  32          1HB       PRO  32  -4.406  20.788  -2.500
  254   1HG   PRO  32          2HG       PRO  32  -5.412  19.152  -4.790
  255   2HG   PRO  32          1HG       PRO  32  -4.194  20.438  -4.780
  256   1HD   PRO  32          2HD       PRO  32  -3.641  17.681  -4.874
  257   2HD   PRO  32          1HD       PRO  32  -2.476  18.950  -4.437
  258    H    HIS  33           H        HIS  33  -5.365  16.908  -3.504
  259    HA   HIS  33           HA       HIS  33  -7.912  16.316  -2.379
  260   1HB   HIS  33          2HB       HIS  33  -7.744  14.197  -3.717
  261   2HB   HIS  33          1HB       HIS  33  -7.418  15.631  -4.673
  262    HD1  HIS  33           HD1      HIS  33  -4.816  16.116  -5.186
  263    HD2  HIS  33           HD2      HIS  33  -5.632  12.387  -3.514
  264    HE1  HIS  33           HE1      HIS  33  -2.679  14.776  -5.368
  265    H    CYS  34           H        CYS  34  -4.707  14.892  -1.799
  266    HA   CYS  34           HA       CYS  34  -5.755  13.626   0.632
  267   1HB   CYS  34          2HB       CYS  34  -5.464  12.143  -1.659
  268   2HB   CYS  34          1HB       CYS  34  -3.908  11.898  -0.868
  269    H    ALA  35           H        ALA  35  -4.376  14.134   2.275
  270    HA   ALA  35           HA       ALA  35  -1.924  15.534   1.862
  271   1HB   ALA  35          2HB       ALA  35  -3.087  14.131   4.269
  272   2HB   ALA  35          1HB       ALA  35  -1.540  14.975   4.335
  273   3HB   ALA  35          3HB       ALA  35  -3.013  15.864   3.949
  274    H    ASN  36           H        ASN  36  -2.413  12.166   2.985
  275    HA   ASN  36           HA       ASN  36   0.454  11.617   2.483
  276   1HB   ASN  36          2HB       ASN  36  -1.745  10.266   3.983
  277   2HB   ASN  36          1HB       ASN  36  -0.456   9.252   3.339
  278   1HD2  ASN  36          2HD2      ASN  36   0.374  11.872   6.380
  279   2HD2  ASN  36          1HD2      ASN  36  -1.088  12.009   5.529
  280    H    THR  37           H        THR  37   1.152   9.933   1.079
  281    HA   THR  37           HA       THR  37  -0.429   9.631  -1.352
  282    HB   THR  37           HB       THR  37   2.021   7.987  -0.719
  283    HG1  THR  37           HG1      THR  37   3.113   9.738  -0.449
  284   1HG2  THR  37          2HG2      THR  37   0.930   9.338  -3.201
  285   2HG2  THR  37          1HG2      THR  37   2.467   8.476  -3.132
  286   3HG2  THR  37          3HG2      THR  37   0.957   7.606  -2.867
  287    H    GLU  38           H        GLU  38  -1.276   7.578  -2.170
  288    HA   GLU  38           HA       GLU  38  -1.552   5.448  -0.086
  289   1HB   GLU  38          2HB       GLU  38  -3.601   7.152  -0.769
  290   2HB   GLU  38          1HB       GLU  38  -3.880   5.796  -1.861
  291   1HG   GLU  38          2HG       GLU  38  -5.065   5.155   0.061
  292   2HG   GLU  38          1HG       GLU  38  -3.525   4.320   0.263
  293    H    ILE  39           H        ILE  39  -1.151   3.423  -0.849
  294    HA   ILE  39           HA       ILE  39  -0.637   3.111  -3.759
  295    HB   ILE  39           HB       ILE  39  -0.055   1.421  -1.313
  296   1HG1  ILE  39          2HG1      ILE  39   2.219   1.809  -2.927
  297   2HG1  ILE  39          1HG1      ILE  39   1.379   3.358  -2.931
  298   1HG2  ILE  39          1HG2      ILE  39   0.351   0.694  -4.230
  299   2HG2  ILE  39          3HG2      ILE  39   1.072  -0.174  -2.876
  300   3HG2  ILE  39          2HG2      ILE  39  -0.679  -0.146  -3.074
  301   1HD1  ILE  39          1HD1      ILE  39   1.497   2.074  -0.283
  302   2HD1  ILE  39          3HD1      ILE  39   3.074   2.507  -0.943
  303   3HD1  ILE  39          2HD1      ILE  39   1.834   3.743  -0.741
  304    H    ILE  40           H        ILE  40  -1.645   1.198  -4.891
  305    HA   ILE  40           HA       ILE  40  -4.047   0.064  -3.588
  306    HB   ILE  40           HB       ILE  40  -4.262   1.580  -6.210
  307   1HG1  ILE  40          2HG1      ILE  40  -5.579   2.241  -3.561
  308   2HG1  ILE  40          1HG1      ILE  40  -4.061   2.975  -4.076
  309   1HG2  ILE  40          3HG2      ILE  40  -5.693  -0.453  -5.984
  310   2HG2  ILE  40          2HG2      ILE  40  -6.372   0.222  -4.504
  311   3HG2  ILE  40          1HG2      ILE  40  -6.639   1.034  -6.047
  312   1HD1  ILE  40          2HD1      ILE  40  -5.231   3.695  -6.199
  313   2HD1  ILE  40          1HD1      ILE  40  -6.743   3.151  -5.472
  314   3HD1  ILE  40          3HD1      ILE  40  -5.833   4.469  -4.734
  315    H    VAL  41           H        VAL  41  -3.241  -2.017  -3.832
  316    HA   VAL  41           HA       VAL  41  -2.399  -2.890  -6.528
  317    HB   VAL  41           HB       VAL  41  -1.621  -4.916  -5.397
  318   1HG1  VAL  41          2HG1      VAL  41  -0.822  -2.317  -4.082
  319   2HG1  VAL  41          1HG1      VAL  41   0.045  -3.833  -3.836
  320   3HG1  VAL  41          3HG1      VAL  41  -0.038  -3.115  -5.445
  321   1HG2  VAL  41          3HG2      VAL  41  -3.351  -3.897  -3.262
  322   2HG2  VAL  41          2HG2      VAL  41  -2.799  -5.541  -3.568
  323   3HG2  VAL  41          1HG2      VAL  41  -1.769  -4.418  -2.684
  324    H    LYS  42           H        LYS  42  -3.224  -5.137  -7.156
  325    HA   LYS  42           HA       LYS  42  -6.046  -5.552  -6.292
  326   1HB   LYS  42          2HB       LYS  42  -5.188  -4.614  -8.843
  327   2HB   LYS  42          1HB       LYS  42  -5.735  -6.276  -9.060
  328   1HG   LYS  42          2HG       LYS  42  -7.435  -4.526  -7.354
  329   2HG   LYS  42          1HG       LYS  42  -7.432  -4.184  -9.083
  330   1HD   LYS  42          2HD       LYS  42  -8.164  -6.396  -9.620
  331   2HD   LYS  42          1HD       LYS  42  -7.859  -6.968  -7.980
  332   1HE   LYS  42          2HE       LYS  42 -10.161  -6.636  -7.902
  333   2HE   LYS  42          1HE       LYS  42  -9.580  -5.074  -7.326
  334   1HZ   LYS  42          1HZ       LYS  42 -10.296  -5.703 -10.141
  335   2HZ   LYS  42          3HZ       LYS  42 -11.273  -4.846  -9.052
  336   3HZ   LYS  42          2HZ       LYS  42  -9.786  -4.193  -9.551
  337    H    LEU  43           H        LEU  43  -5.517  -7.384  -5.078
  338    HA   LEU  43           HA       LEU  43  -3.706  -9.425  -5.639
  339   1HB   LEU  43          2HB       LEU  43  -6.323  -9.358  -4.189
  340   2HB   LEU  43          1HB       LEU  43  -5.496 -10.887  -4.401
  341    HG   LEU  43           HG       LEU  43  -4.223  -8.412  -3.198
  342   1HD1  LEU  43          1HD1      LEU  43  -5.403 -10.880  -1.888
  343   2HD1  LEU  43          3HD1      LEU  43  -4.402  -9.692  -1.050
  344   3HD1  LEU  43          2HD1      LEU  43  -5.967  -9.218  -1.710
  345   1HD2  LEU  43          3HD2      LEU  43  -3.327 -11.265  -3.635
  346   2HD2  LEU  43          2HD2      LEU  43  -2.490  -9.773  -4.066
  347   3HD2  LEU  43          1HD2      LEU  43  -2.601 -10.265  -2.377
  348    H    SER  44           H        SER  44  -3.822 -11.408  -6.685
  349    HA   SER  44           HA       SER  44  -5.132 -11.563  -9.177
  350   1HB   SER  44          2HB       SER  44  -4.520 -14.050  -9.017
  351   2HB   SER  44          1HB       SER  44  -3.195 -12.897  -8.895
  352    HG   SER  44           HG       SER  44  -4.342 -14.545  -6.961
  353    H    ASP  45           H        ASP  45  -6.342 -12.369  -6.007
  354    HA   ASP  45           HA       ASP  45  -8.433 -14.131  -6.976
  355   1HB   ASP  45          2HB       ASP  45  -7.261 -13.938  -4.585
  356   2HB   ASP  45          1HB       ASP  45  -8.608 -12.839  -4.294
  357    H    GLY  46           H        GLY  46  -8.208 -11.160  -7.887
  358   1HA   GLY  46          2HA       GLY  46  -9.767  -9.546  -8.553
  359   2HA   GLY  46          1HA       GLY  46 -11.036 -10.638  -8.001
  360    NH1  ARG  47           NH1      ARG  47 -11.703  -5.976  -0.788
  361    NH2  ARG  47           NH2      ARG  47 -13.326  -7.428  -0.156
  362    H    ARG  47           H        ARG  47  -8.382  -9.440  -5.972
  363    HA   ARG  47           HA       ARG  47 -10.450  -8.043  -4.308
  364   1HB   ARG  47          2HB       ARG  47  -9.124 -10.045  -3.363
  365   2HB   ARG  47          1HB       ARG  47  -7.735  -8.965  -3.359
  366   1HG   ARG  47          2HG       ARG  47  -8.676  -8.790  -1.178
  367   2HG   ARG  47          1HG       ARG  47  -9.188  -7.332  -2.023
  368   1HD   ARG  47          2HD       ARG  47 -11.357  -8.407  -2.549
  369   2HD   ARG  47          1HD       ARG  47 -10.843  -9.849  -1.673
  370    HE   ARG  47           HE       ARG  47 -10.850  -8.490   0.399
  371   1HH1  ARG  47          2HH1      ARG  47 -10.748  -5.794  -1.023
  372   2HH1  ARG  47          1HH1      ARG  47 -12.370  -5.231  -0.797
  373   1HH2  ARG  47          1HH2      ARG  47 -13.613  -8.354   0.092
  374   2HH2  ARG  47          2HH2      ARG  47 -13.997  -6.684  -0.164
  375    H    GLU  48           H        GLU  48  -9.742  -6.027  -3.264
  376    HA   GLU  48           HA       GLU  48  -7.440  -4.687  -4.625
  377   1HB   GLU  48          2HB       GLU  48  -9.870  -4.030  -5.409
  378   2HB   GLU  48          1HB       GLU  48  -9.917  -3.144  -3.884
  379   1HG   GLU  48          2HG       GLU  48  -7.551  -2.266  -4.686
  380   2HG   GLU  48          1HG       GLU  48  -8.168  -2.701  -6.279
  381    H    LEU  49           H        LEU  49  -5.996  -4.141  -3.071
  382    HA   LEU  49           HA       LEU  49  -7.061  -3.312  -0.390
  383   1HB   LEU  49          2HB       LEU  49  -5.220  -5.471  -1.074
  384   2HB   LEU  49          1HB       LEU  49  -4.479  -4.304   0.022
  385    HG   LEU  49           HG       LEU  49  -6.706  -4.496   1.363
  386   1HD1  LEU  49          2HD1      LEU  49  -6.797  -6.881  -0.483
  387   2HD1  LEU  49          1HD1      LEU  49  -7.549  -6.935   1.113
  388   3HD1  LEU  49          3HD1      LEU  49  -8.091  -5.753  -0.079
  389   1HD2  LEU  49          2HD2      LEU  49  -4.306  -5.470   1.813
  390   2HD2  LEU  49          1HD2      LEU  49  -5.669  -6.069   2.756
  391   3HD2  LEU  49          3HD2      LEU  49  -5.053  -7.011   1.398
  392    H    CYS  50           H        CYS  50  -6.392  -1.275   0.128
  393    HA   CYS  50           HA       CYS  50  -4.336   0.035  -1.509
  394   1HB   CYS  50          2HB       CYS  50  -5.184   1.434   0.898
  395   2HB   CYS  50          1HB       CYS  50  -5.178   1.987  -0.759
  396    H    LEU  51           H        LEU  51  -2.200   0.310  -0.838
  397    HA   LEU  51           HA       LEU  51  -1.484  -1.016   1.690
  398   1HB   LEU  51          2HB       LEU  51   0.169  -0.147  -0.667
  399   2HB   LEU  51          1HB       LEU  51   0.857  -0.793   0.798
  400    HG   LEU  51           HG       LEU  51  -0.639  -2.826   0.481
  401   1HD1  LEU  51          2HD1      LEU  51  -1.401  -1.214  -1.844
  402   2HD1  LEU  51          1HD1      LEU  51  -0.981  -2.876  -2.241
  403   3HD1  LEU  51          3HD1      LEU  51  -2.250  -2.549  -1.068
  404   1HD2  LEU  51          2HD2      LEU  51   1.547  -2.102  -1.478
  405   2HD2  LEU  51          1HD2      LEU  51   1.677  -3.086  -0.022
  406   3HD2  LEU  51          3HD2      LEU  51   0.826  -3.711  -1.435
  407    H    ASP  52           H        ASP  52   0.039  -0.088   3.080
  408    HA   ASP  52           HA       ASP  52  -0.256   2.859   3.345
  409   1HB   ASP  52          2HB       ASP  52  -1.054   1.374   5.197
  410   2HB   ASP  52          1HB       ASP  52   0.596   0.792   5.401
  411    HA   PRO  53           HA       PRO  53   4.026   2.922   2.045
  412   1HB   PRO  53          2HB       PRO  53   4.187   5.674   1.995
  413   2HB   PRO  53          1HB       PRO  53   3.517   4.691   0.682
  414   1HG   PRO  53          2HG       PRO  53   2.076   6.322   2.737
  415   2HG   PRO  53          1HG       PRO  53   1.606   5.941   1.071
  416   1HD   PRO  53          2HD       PRO  53   0.564   4.686   3.341
  417   2HD   PRO  53          1HD       PRO  53   0.513   4.013   1.697
  418    H    LYS  54           H        LYS  54   2.661   3.969   5.023
  419    HA   LYS  54           HA       LYS  54   4.897   5.232   6.230
  420   1HB   LYS  54          2HB       LYS  54   2.313   4.474   7.030
  421   2HB   LYS  54          1HB       LYS  54   3.407   3.637   8.130
  422   1HG   LYS  54          2HG       LYS  54   3.297   5.641   9.247
  423   2HG   LYS  54          1HG       LYS  54   4.593   6.053   8.123
  424   1HD   LYS  54          2HD       LYS  54   2.958   7.041   6.574
  425   2HD   LYS  54          1HD       LYS  54   1.643   6.598   7.662
  426   1HE   LYS  54          2HE       LYS  54   3.883   8.192   8.819
  427   2HE   LYS  54          1HE       LYS  54   2.782   9.028   7.726
  428   1HZ   LYS  54          3HZ       LYS  54   1.973   7.461  10.117
  429   2HZ   LYS  54          2HZ       LYS  54   2.034   9.156  10.025
  430   3HZ   LYS  54          1HZ       LYS  54   0.925   8.292   9.073
  431    H    GLU  55           H        GLU  55   4.176   1.828   5.605
  432    HA   GLU  55           HA       GLU  55   6.304   0.892   7.404
  433   1HB   GLU  55          2HB       GLU  55   4.412  -0.439   5.482
  434   2HB   GLU  55          1HB       GLU  55   5.796  -1.309   6.096
  435   1HG   GLU  55          2HG       GLU  55   4.520   0.008   8.284
  436   2HG   GLU  55          1HG       GLU  55   3.305  -0.897   7.391
  437    H    ASN  56           H        ASN  56   7.952  -0.624   6.365
  438    HA   ASN  56           HA       ASN  56   9.198   0.776   4.068
  439   1HB   ASN  56          2HB       ASN  56  10.189  -0.465   6.415
  440   2HB   ASN  56          1HB       ASN  56  10.814  -1.345   5.027
  441   1HD2  ASN  56          2HD2      ASN  56  12.367   2.256   5.893
  442   2HD2  ASN  56          1HD2      ASN  56  11.332   1.422   6.949
  443    CH2  TRP  57           CH2      TRP  57   1.688  -4.284   2.409
  444    H    TRP  57           H        TRP  57   7.458  -2.097   4.827
  445    HA   TRP  57           HA       TRP  57   8.537  -3.691   2.681
  446   1HB   TRP  57          2HB       TRP  57   6.942  -5.333   3.322
  447   2HB   TRP  57          1HB       TRP  57   7.501  -4.598   4.796
  448    HD1  TRP  57           HD1      TRP  57   5.785  -3.414   6.259
  449    HE1  TRP  57           HE1      TRP  57   3.234  -3.182   6.179
  450    HE3  TRP  57           HE3      TRP  57   4.897  -4.983   1.502
  451    HZ2  TRP  57           HZ2      TRP  57   1.086  -3.548   4.340
  452    HZ3  TRP  57           HZ3      TRP  57   2.596  -5.005   0.601
  453    HH2  TRP  57           HH2      TRP  57   0.684  -4.300   2.010
  454    H    VAL  58           H        VAL  58   5.709  -1.617   3.127
  455    HA   VAL  58           HA       VAL  58   4.432  -2.287   0.637
  456    HB   VAL  58           HB       VAL  58   4.307   0.033   2.536
  457   1HG1  VAL  58          2HG1      VAL  58   3.205  -0.050  -0.263
  458   2HG1  VAL  58          1HG1      VAL  58   2.394   0.872   1.003
  459   3HG1  VAL  58          3HG1      VAL  58   4.051   1.268   0.549
  460   1HG2  VAL  58          2HG2      VAL  58   2.495  -2.159   1.597
  461   2HG2  VAL  58          1HG2      VAL  58   2.950  -1.717   3.242
  462   3HG2  VAL  58          3HG2      VAL  58   1.820  -0.711   2.343
  463    H    GLN  59           H        GLN  59   6.802   0.242   1.510
  464    HA   GLN  59           HA       GLN  59   6.936   1.279  -1.186
  465   1HB   GLN  59          2HB       GLN  59   8.759   2.652  -0.361
  466   2HB   GLN  59          1HB       GLN  59   7.431   2.670   0.793
  467   1HG   GLN  59          2HG       GLN  59   8.561   0.876   2.067
  468   2HG   GLN  59          1HG       GLN  59   9.914   0.964   0.947
  469   1HE2  GLN  59          2HE2      GLN  59   9.417   3.927   3.741
  470   2HE2  GLN  59          1HE2      GLN  59   8.165   2.816   3.457
  471    NH1  ARG  60           NH2      ARG  60  15.371  -2.230   1.458
  472    NH2  ARG  60           NH1      ARG  60  14.914  -1.975   3.667
  473    H    ARG  60           H        ARG  60   8.634  -1.228   0.590
  474    HA   ARG  60           HA       ARG  60  10.784  -1.468  -1.390
  475   1HB   ARG  60          2HB       ARG  60   9.959  -2.941   1.087
  476   2HB   ARG  60          1HB       ARG  60  10.966  -3.788  -0.084
  477   1HG   ARG  60          2HG       ARG  60  12.760  -2.328   0.190
  478   2HG   ARG  60          1HG       ARG  60  11.732  -1.010   0.752
  479   1HD   ARG  60          2HD       ARG  60  12.190  -1.593   2.875
  480   2HD   ARG  60          1HD       ARG  60  11.406  -3.147   2.596
  481    HE   ARG  60           HE       ARG  60  13.555  -4.137   2.298
  482   1HH1  ARG  60          1HH2      ARG  60  15.126  -2.597   0.560
  483   2HH1  ARG  60          2HH2      ARG  60  16.206  -1.691   1.566
  484   1HH2  ARG  60          2HH1      ARG  60  14.322  -2.147   4.455
  485   2HH2  ARG  60          1HH1      ARG  60  15.750  -1.436   3.780
  486    H    VAL  61           H        VAL  61   7.712  -3.066  -0.607
  487    HA   VAL  61           HA       VAL  61   7.900  -5.180  -2.533
  488    HB   VAL  61           HB       VAL  61   5.620  -3.794  -1.123
  489   1HG1  VAL  61          2HG1      VAL  61   5.488  -5.744  -3.400
  490   2HG1  VAL  61          1HG1      VAL  61   4.253  -5.774  -2.142
  491   3HG1  VAL  61          3HG1      VAL  61   4.498  -4.315  -3.102
  492   1HG2  VAL  61          3HG2      VAL  61   7.081  -5.451   0.060
  493   2HG2  VAL  61          2HG2      VAL  61   5.394  -5.952  -0.025
  494   3HG2  VAL  61          1HG2      VAL  61   6.583  -6.670  -1.112
  495    H    VAL  62           H        VAL  62   6.605  -1.869  -2.731
  496    HA   VAL  62           HA       VAL  62   5.606  -2.062  -5.415
  497    HB   VAL  62           HB       VAL  62   6.546   0.290  -3.749
  498   1HG1  VAL  62          1HG1      VAL  62   5.389   0.227  -6.547
  499   2HG1  VAL  62          3HG1      VAL  62   5.305   1.657  -5.517
  500   3HG1  VAL  62          2HG1      VAL  62   6.872   1.013  -6.005
  501   1HG2  VAL  62          2HG2      VAL  62   4.334  -1.177  -3.412
  502   2HG2  VAL  62          1HG2      VAL  62   4.323   0.573  -3.190
  503   3HG2  VAL  62          3HG2      VAL  62   3.742  -0.128  -4.701
  504    H    GLU  63           H        GLU  63   8.780  -1.018  -4.120
  505    HA   GLU  63           HA       GLU  63   9.923  -0.334  -6.633
  506   1HB   GLU  63          2HB       GLU  63  10.768  -0.060  -4.087
  507   2HB   GLU  63          1HB       GLU  63  11.714  -1.475  -4.553
  508   1HG   GLU  63          2HG       GLU  63  12.121   0.029  -6.744
  509   2HG   GLU  63          1HG       GLU  63  11.854   1.323  -5.575
  510    H    LYS  64           H        LYS  64   9.992  -3.405  -4.788
  511    HA   LYS  64           HA       LYS  64  11.579  -4.812  -6.711
  512   1HB   LYS  64          2HB       LYS  64  10.917  -5.408  -4.217
  513   2HB   LYS  64          1HB       LYS  64   9.579  -6.246  -5.004
  514   1HG   LYS  64          2HG       LYS  64  11.049  -7.658  -6.234
  515   2HG   LYS  64          1HG       LYS  64  12.448  -6.648  -5.868
  516   1HD   LYS  64          2HD       LYS  64  11.761  -7.230  -3.359
  517   2HD   LYS  64          1HD       LYS  64  11.043  -8.641  -4.137
  518   1HE   LYS  64          2HE       LYS  64  13.086  -9.482  -4.815
  519   2HE   LYS  64          1HE       LYS  64  13.826  -7.885  -4.925
  520   1HZ   LYS  64          3HZ       LYS  64  13.127  -9.291  -2.402
  521   2HZ   LYS  64          2HZ       LYS  64  14.690  -9.146  -3.051
  522   3HZ   LYS  64          1HZ       LYS  64  13.858  -7.764  -2.517
  523    H    PHE  65           H        PHE  65   8.141  -4.141  -6.434
  524    HA   PHE  65           HA       PHE  65   7.209  -6.105  -8.325
  525   1HB   PHE  65          2HB       PHE  65   5.932  -4.623  -6.563
  526   2HB   PHE  65          1HB       PHE  65   5.852  -3.464  -7.879
  527    HD1  PHE  65           HD1      PHE  65   5.356  -7.164  -7.365
  528    HD2  PHE  65           HD2      PHE  65   3.972  -3.552  -9.233
  529    HE1  PHE  65           HE1      PHE  65   3.447  -8.402  -8.354
  530    HE2  PHE  65           HE2      PHE  65   2.067  -4.791 -10.223
  531    HZ   PHE  65           HZ       PHE  65   1.805  -7.217  -9.784
  532    H    LEU  66           H        LEU  66   8.161  -2.670  -8.608
  533    HA   LEU  66           HA       LEU  66   7.680  -2.726 -11.522
  534   1HB   LEU  66          2HB       LEU  66   8.630  -0.584  -9.604
  535   2HB   LEU  66          1HB       LEU  66   8.603  -0.342 -11.351
  536    HG   LEU  66           HG       LEU  66   6.129  -1.386 -10.027
  537   1HD1  LEU  66          1HD1      LEU  66   7.035   1.509  -9.990
  538   2HD1  LEU  66          3HD1      LEU  66   5.402   0.963  -9.609
  539   3HD1  LEU  66          2HD1      LEU  66   6.754   0.482  -8.583
  540   1HD2  LEU  66          1HD2      LEU  66   6.309  -1.156 -12.495
  541   2HD2  LEU  66          3HD2      LEU  66   5.071  -0.089 -11.832
  542   3HD2  LEU  66          2HD2      LEU  66   6.640   0.565 -12.298
  543    H    LYS  67           H        LYS  67  10.518  -1.612  -9.630
  544    HA   LYS  67           HA       LYS  67  12.379  -3.467 -10.759
  545   1HB   LYS  67          2HB       LYS  67  11.594  -1.670 -12.683
  546   2HB   LYS  67          1HB       LYS  67  13.012  -0.866 -12.015
  547   1HG   LYS  67          2HG       LYS  67  14.164  -2.206 -13.450
  548   2HG   LYS  67          1HG       LYS  67  13.921  -3.436 -12.210
  549   1HD   LYS  67          2HD       LYS  67  12.214  -4.483 -13.385
  550   2HD   LYS  67          1HD       LYS  67  11.759  -3.010 -14.242
  551   1HE   LYS  67          2HE       LYS  67  12.840  -4.121 -15.955
  552   2HE   LYS  67          1HE       LYS  67  14.215  -3.272 -15.252
  553   1HZ   LYS  67          2HZ       LYS  67  13.385  -6.054 -14.610
  554   2HZ   LYS  67          1HZ       LYS  67  14.697  -5.615 -15.594
  555   3HZ   LYS  67          3HZ       LYS  67  14.717  -5.238 -13.941
  556    NH1  ARG  68           NH1      ARG  68  16.756   1.324 -14.159
  557    NH2  ARG  68           NH2      ARG  68  18.874   0.635 -13.735
  558    H    ARG  68           H        ARG  68  12.630   0.089 -10.327
  559    HA   ARG  68           HA       ARG  68  13.933  -0.212  -7.727
  560   1HB   ARG  68          2HB       ARG  68  16.018   1.065  -8.660
  561   2HB   ARG  68          1HB       ARG  68  15.927  -0.681  -8.863
  562   1HG   ARG  68          2HG       ARG  68  15.063  -0.391 -11.149
  563   2HG   ARG  68          1HG       ARG  68  15.096   1.362 -10.949
  564   1HD   ARG  68          2HD       ARG  68  17.392   1.476 -11.105
  565   2HD   ARG  68          1HD       ARG  68  17.625  -0.126 -10.405
  566    HE   ARG  68           HE       ARG  68  16.910  -1.060 -12.624
  567   1HH1  ARG  68          2HH1      ARG  68  15.779   1.305 -13.944
  568   2HH1  ARG  68          1HH1      ARG  68  17.089   1.887 -14.917
  569   1HH2  ARG  68          1HH2      ARG  68  19.516   0.090 -13.195
  570   2HH2  ARG  68          2HH2      ARG  68  19.210   1.197 -14.491
  571    H    ALA  69           H        ALA  69  14.666   2.002  -6.913
  572    HA   ALA  69           HA       ALA  69  13.665   4.373  -8.272
  573   1HB   ALA  69          1HB       ALA  69  11.625   3.083  -7.185
  574   2HB   ALA  69          3HB       ALA  69  12.224   3.825  -5.701
  575   3HB   ALA  69          2HB       ALA  69  11.739   4.838  -7.060
  576    H    GLU  70           H        GLU  70  14.233   6.324  -7.134
  577    HA   GLU  70           HA       GLU  70  16.330   5.889  -5.061
  578   1HB   GLU  70          2HB       GLU  70  15.698   8.475  -6.510
  579   2HB   GLU  70          1HB       GLU  70  17.170   8.061  -5.636
  580   1HG   GLU  70          2HG       GLU  70  17.595   6.242  -7.307
  581   2HG   GLU  70          1HG       GLU  70  16.199   6.813  -8.223
  582    H    ASN  71           H        ASN  71  16.256   8.435  -3.846
  583    HA   ASN  71           HA       ASN  71  13.549   8.994  -2.896
  584   1HB   ASN  71          2HB       ASN  71  14.050   8.438  -0.516
  585   2HB   ASN  71          1HB       ASN  71  14.016   7.011  -1.550
  586   1HD2  ASN  71          2HD2      ASN  71  17.487   8.087   0.294
  587   2HD2  ASN  71          1HD2      ASN  71  16.096   9.050   0.434
  588    H    SER  72           H        SER  72  13.454  10.946  -1.686
  589    HA   SER  72           HA       SER  72  14.125  13.089  -1.060
  590   1HB   SER  72          2HB       SER  72  16.767  11.673  -0.581
  591   2HB   SER  72          1HB       SER  72  16.398  13.312  -0.053
  592    HG   SER  72           HG       SER  72  15.664  12.287   1.645
  593   1HC   CH3  25          1H        LEU  25  -0.602  -1.909 -11.360
  594   2HC   CH3  25          2H        LEU  25   1.030  -2.367 -10.874
  595   3HC   CH3  25          3H        LEU  25   0.041  -3.488 -11.807
   
  Start of MODEL          10
 Raw file had  595 H/Q atoms
  Start of MODEL   10
    1   1H    GLU   4          1H        GLU   4  -8.104  15.612  -7.862
    2   2H    GLU   4          3H        GLU   4  -8.177  14.529  -9.163
    3   3H    GLU   4          2H        GLU   4  -7.849  16.171  -9.444
    4    HA   GLU   4           HA       GLU   4 -10.012  16.840  -8.897
    5   1HB   GLU   4          2HB       GLU   4 -11.390  15.575 -10.487
    6   2HB   GLU   4          1HB       GLU   4  -9.777  15.836 -11.148
    7   1HG   GLU   4          2HG       GLU   4  -9.114  13.568 -10.568
    8   2HG   GLU   4          1HG       GLU   4 -10.641  13.295  -9.730
    9    H    LEU   5           H        LEU   5  -9.440  13.459  -7.937
   10    HA   LEU   5           HA       LEU   5 -11.807  13.691  -6.115
   11   1HB   LEU   5          2HB       LEU   5 -11.887  11.937  -7.999
   12   2HB   LEU   5          1HB       LEU   5 -10.631  11.086  -7.100
   13    HG   LEU   5           HG       LEU   5 -12.206  11.282  -5.065
   14   1HD1  LEU   5          2HD1      LEU   5 -14.084  11.971  -7.341
   15   2HD1  LEU   5          1HD1      LEU   5 -14.639  11.387  -5.773
   16   3HD1  LEU   5          3HD1      LEU   5 -13.770  12.917  -5.886
   17   1HD2  LEU   5          3HD2      LEU   5 -11.757   9.198  -6.406
   18   2HD2  LEU   5          2HD2      LEU   5 -13.367   9.244  -5.688
   19   3HD2  LEU   5          1HD2      LEU   5 -13.156   9.598  -7.402
   20    NH1  ARG   6           NH1      ARG   6 -13.753  14.861   0.906
   21    NH2  ARG   6           NH2      ARG   6 -15.455  14.736  -0.586
   22    H    ARG   6           H        ARG   6 -11.475  13.167  -3.949
   23    HA   ARG   6           HA       ARG   6  -8.802  13.316  -2.915
   24   1HB   ARG   6          2HB       ARG   6  -9.877  12.846  -0.729
   25   2HB   ARG   6          1HB       ARG   6 -10.716  14.107  -1.616
   26   1HG   ARG   6          2HG       ARG   6 -11.757  11.473  -2.291
   27   2HG   ARG   6          1HG       ARG   6 -11.854  11.775  -0.557
   28   1HD   ARG   6          2HD       ARG   6 -12.636  14.166  -1.927
   29   2HD   ARG   6          1HD       ARG   6 -13.535  12.814  -2.614
   30    HE   ARG   6           HE       ARG   6 -14.068  12.276  -0.115
   31   1HH1  ARG   6          2HH1      ARG   6 -12.913  14.482   1.295
   32   2HH1  ARG   6          1HH1      ARG   6 -14.131  15.712   1.269
   33   1HH2  ARG   6          1HH2      ARG   6 -15.916  14.262  -1.336
   34   2HH2  ARG   6          2HH2      ARG   6 -15.835  15.589  -0.224
   35    H    CYS   7           H        CYS   7  -8.400  11.475  -1.017
   36    HA   CYS   7           HA       CYS   7  -7.547   9.148  -2.452
   37   1HB   CYS   7          2HB       CYS   7  -7.735   9.870   0.463
   38   2HB   CYS   7          1HB       CYS   7  -7.305   8.234  -0.016
   39    H    GLN   8           H        GLN   8  -8.782   7.461  -3.110
   40    HA   GLN   8           HA       GLN   8 -11.518   7.137  -2.112
   41   1HB   GLN   8          2HB       GLN   8  -9.833   5.855  -4.240
   42   2HB   GLN   8          1HB       GLN   8 -11.285   5.027  -3.684
   43   1HG   GLN   8          2HG       GLN   8 -12.393   7.408  -4.022
   44   2HG   GLN   8          1HG       GLN   8 -11.033   7.646  -5.120
   45   1HE2  GLN   8          2HE2      GLN   8 -12.203   5.231  -7.500
   46   2HE2  GLN   8          1HE2      GLN   8 -10.820   6.042  -6.945
   47    H    CYS   9           H        CYS   9  -8.532   6.163  -0.914
   48    HA   CYS   9           HA       CYS   9  -9.601   3.607   0.191
   49   1HB   CYS   9          2HB       CYS   9  -6.868   4.672  -0.386
   50   2HB   CYS   9          1HB       CYS   9  -7.048   3.570   0.979
   51    H    ILE  10           H        ILE  10 -10.628   3.956   2.092
   52    HA   ILE  10           HA       ILE  10  -9.952   6.195   3.846
   53    HB   ILE  10           HB       ILE  10 -11.779   3.812   4.314
   54   1HG1  ILE  10          2HG1      ILE  10 -12.995   6.442   3.872
   55   2HG1  ILE  10          1HG1      ILE  10 -12.063   5.890   2.480
   56   1HG2  ILE  10          3HG2      ILE  10 -11.353   6.414   5.800
   57   2HG2  ILE  10          2HG2      ILE  10 -12.822   5.455   5.978
   58   3HG2  ILE  10          1HG2      ILE  10 -11.263   4.772   6.438
   59   1HD1  ILE  10          2HD1      ILE  10 -14.185   4.257   3.903
   60   2HD1  ILE  10          1HD1      ILE  10 -14.422   5.118   2.382
   61   3HD1  ILE  10          3HD1      ILE  10 -13.290   3.769   2.465
   62    H    LYS  11           H        LYS  11  -9.136   2.785   3.631
   63    HA   LYS  11           HA       LYS  11  -7.347   3.131   6.000
   64   1HB   LYS  11          2HB       LYS  11  -7.854   0.767   6.643
   65   2HB   LYS  11          1HB       LYS  11  -9.256   1.828   6.775
   66   1HG   LYS  11          2HG       LYS  11 -10.171   1.013   4.703
   67   2HG   LYS  11          1HG       LYS  11  -8.688   0.135   4.326
   68   1HD   LYS  11          2HD       LYS  11 -10.005  -0.516   6.917
   69   2HD   LYS  11          1HD       LYS  11 -10.823  -1.060   5.453
   70   1HE   LYS  11          2HE       LYS  11  -9.407  -2.816   5.442
   71   2HE   LYS  11          1HE       LYS  11  -8.133  -1.678   5.004
   72   1HZ   LYS  11          3HZ       LYS  11  -8.936  -2.340   7.787
   73   2HZ   LYS  11          2HZ       LYS  11  -7.589  -2.991   6.983
   74   3HZ   LYS  11          1HZ       LYS  11  -7.655  -1.328   7.324
   75    H    THR  12           H        THR  12  -5.448   1.700   5.940
   76    HA   THR  12           HA       THR  12  -4.822   0.800   3.158
   77    HB   THR  12           HB       THR  12  -2.370   1.063   4.342
   78    HG1  THR  12           HG1      THR  12  -2.776   2.214   6.069
   79   1HG2  THR  12          3HG2      THR  12  -3.114   1.801   2.109
   80   2HG2  THR  12          2HG2      THR  12  -3.912   3.189   2.852
   81   3HG2  THR  12          1HG2      THR  12  -2.156   3.028   2.935
   82    OH   TYR  13           OH       TYR  13  -2.951  -8.858   4.520
   83    H    TYR  13           H        TYR  13  -2.546  -0.613   3.598
   84    HA   TYR  13           HA       TYR  13  -3.507  -2.895   5.257
   85   1HB   TYR  13          2HB       TYR  13  -3.352  -3.043   2.665
   86   2HB   TYR  13          1HB       TYR  13  -1.613  -3.112   2.924
   87    HD1  TYR  13           HD1      TYR  13  -4.152  -4.509   5.230
   88    HD2  TYR  13           HD2      TYR  13  -1.236  -5.323   2.190
   89    HE1  TYR  13           HE1      TYR  13  -4.313  -6.941   5.735
   90    HE2  TYR  13           HE2      TYR  13  -1.390  -7.758   2.689
   91    HH   TYR  13           HH       TYR  13  -2.479  -9.027   5.338
   92    H    SER  14           H        SER  14  -2.328  -2.847   7.128
   93    HA   SER  14           HA       SER  14   0.481  -1.955   7.122
   94   1HB   SER  14          2HB       SER  14  -1.198  -1.483   9.005
   95   2HB   SER  14          1HB       SER  14  -1.026  -3.180   9.445
   96    HG   SER  14           HG       SER  14   0.924  -2.787  10.176
   97    H    LYS  15           H        LYS  15  -1.334  -4.975   7.228
   98    HA   LYS  15           HA       LYS  15   0.965  -6.602   7.957
   99   1HB   LYS  15          2HB       LYS  15  -1.195  -7.897   6.418
  100   2HB   LYS  15          1HB       LYS  15  -0.434  -8.398   7.907
  101   1HG   LYS  15          2HG       LYS  15  -2.484  -6.174   7.711
  102   2HG   LYS  15          1HG       LYS  15  -2.837  -7.819   8.220
  103   1HD   LYS  15          2HD       LYS  15  -0.656  -6.271   9.595
  104   2HD   LYS  15          1HD       LYS  15  -2.341  -6.008  10.046
  105   1HE   LYS  15          2HE       LYS  15  -1.609  -8.851   9.818
  106   2HE   LYS  15          1HE       LYS  15  -0.730  -7.990  11.081
  107   1HZ   LYS  15          2HZ       LYS  15  -2.860  -7.174  11.928
  108   2HZ   LYS  15          1HZ       LYS  15  -3.680  -8.077  10.744
  109   3HZ   LYS  15          3HZ       LYS  15  -2.784  -8.872  11.945
  110    HA   PRO  16           HA       PRO  16   2.677  -6.628   3.891
  111   1HB   PRO  16          2HB       PRO  16   4.624  -8.479   4.401
  112   2HB   PRO  16          1HB       PRO  16   4.702  -6.809   4.950
  113   1HG   PRO  16          2HG       PRO  16   4.194  -9.266   6.533
  114   2HG   PRO  16          1HG       PRO  16   4.790  -7.690   7.077
  115   1HD   PRO  16          2HD       PRO  16   2.119  -8.701   7.321
  116   2HD   PRO  16          1HD       PRO  16   2.680  -7.073   7.738
  117    H    PHE  17           H        PHE  17   3.005  -8.096   2.070
  118    HA   PHE  17           HA       PHE  17   2.160 -10.877   2.259
  119   1HB   PHE  17          2HB       PHE  17   0.146 -10.782   0.987
  120   2HB   PHE  17          1HB       PHE  17  -0.020  -9.561   2.241
  121    HD1  PHE  17           HD1      PHE  17   0.699  -7.118   1.586
  122    HD2  PHE  17           HD2      PHE  17  -0.198 -10.216  -1.254
  123    HE1  PHE  17           HE1      PHE  17   0.274  -5.403  -0.156
  124    HE2  PHE  17           HE2      PHE  17  -0.618  -8.499  -2.994
  125    HZ   PHE  17           HZ       PHE  17  -0.381  -6.095  -2.444
  126    H    HIS  18           H        HIS  18   2.431 -12.019   0.198
  127    HA   HIS  18           HA       HIS  18   4.723 -11.101  -1.263
  128   1HB   HIS  18          2HB       HIS  18   4.432 -13.434  -0.985
  129   2HB   HIS  18          1HB       HIS  18   2.801 -13.380  -1.643
  130    HD1  HIS  18           HD1      HIS  18   6.416 -13.315  -2.684
  131    HD2  HIS  18           HD2      HIS  18   2.650 -13.152  -4.396
  132    HE1  HIS  18           HE1      HIS  18   6.742 -13.577  -5.193
  133    HA   PRO  19           HA       PRO  19   2.802  -8.444  -4.172
  134   1HB   PRO  19          2HB       PRO  19   4.950  -8.132  -5.834
  135   2HB   PRO  19          1HB       PRO  19   4.794  -7.355  -4.253
  136   1HG   PRO  19          2HG       PRO  19   6.483  -9.677  -5.048
  137   2HG   PRO  19          1HG       PRO  19   6.748  -8.486  -3.765
  138   1HD   PRO  19          2HD       PRO  19   5.780 -11.112  -3.403
  139   2HD   PRO  19          1HD       PRO  19   5.717  -9.810  -2.200
  140    H    LYS  20           H        LYS  20   4.532 -11.235  -5.676
  141    HA   LYS  20           HA       LYS  20   3.625 -10.902  -8.288
  142   1HB   LYS  20          2HB       LYS  20   5.166 -12.735  -7.413
  143   2HB   LYS  20          1HB       LYS  20   3.688 -13.634  -7.119
  144   1HG   LYS  20          2HG       LYS  20   3.064 -13.153  -9.550
  145   2HG   LYS  20          1HG       LYS  20   4.729 -12.614  -9.759
  146   1HD   LYS  20          2HD       LYS  20   5.372 -14.904  -8.709
  147   2HD   LYS  20          1HD       LYS  20   3.716 -15.374  -9.092
  148   1HE   LYS  20          2HE       LYS  20   4.842 -14.045 -11.375
  149   2HE   LYS  20          1HE       LYS  20   5.958 -15.303 -10.848
  150   1HZ   LYS  20          2HZ       LYS  20   3.056 -15.684 -11.355
  151   2HZ   LYS  20          1HZ       LYS  20   4.307 -16.149 -12.406
  152   3HZ   LYS  20          3HZ       LYS  20   4.155 -16.894 -10.890
  153    H    PHE  21           H        PHE  21   1.685 -11.933  -5.545
  154    HA   PHE  21           HA       PHE  21  -0.524 -13.058  -6.956
  155   1HB   PHE  21          2HB       PHE  21  -0.679 -11.400  -4.467
  156   2HB   PHE  21          1HB       PHE  21  -1.835 -12.595  -4.996
  157    HD1  PHE  21           HD1      PHE  21   0.407 -14.613  -5.927
  158    HD2  PHE  21           HD2      PHE  21  -0.323 -12.424  -2.300
  159    HE1  PHE  21           HE1      PHE  21   1.623 -16.342  -4.631
  160    HE2  PHE  21           HE2      PHE  21   0.894 -14.152  -1.010
  161    HZ   PHE  21           HZ       PHE  21   1.866 -16.114  -2.176
  162    H    ILE  22           H        ILE  22   0.355  -9.758  -6.109
  163    HA   ILE  22           HA       ILE  22  -1.985  -8.374  -6.903
  164    HB   ILE  22           HB       ILE  22   0.916  -7.496  -7.075
  165   1HG1  ILE  22          2HG1      ILE  22  -1.038  -6.734  -4.916
  166   2HG1  ILE  22          1HG1      ILE  22  -0.181  -8.272  -4.818
  167   1HG2  ILE  22          3HG2      ILE  22  -1.698  -6.062  -7.392
  168   2HG2  ILE  22          2HG2      ILE  22  -0.319  -5.207  -6.702
  169   3HG2  ILE  22          1HG2      ILE  22  -0.215  -5.886  -8.326
  170   1HD1  ILE  22          3HD1      ILE  22   1.894  -6.648  -5.423
  171   2HD1  ILE  22          2HD1      ILE  22   0.867  -5.503  -4.560
  172   3HD1  ILE  22          1HD1      ILE  22   1.396  -6.984  -3.765
  173    H    LYS  23           H        LYS  23  -2.938  -8.386  -8.852
  174    HA   LYS  23           HA       LYS  23  -1.450  -9.111 -11.279
  175   1HB   LYS  23          2HB       LYS  23  -3.980  -9.613 -10.615
  176   2HB   LYS  23          1HB       LYS  23  -4.251  -8.033 -11.352
  177   1HG   LYS  23          2HG       LYS  23  -2.547  -9.989 -12.839
  178   2HG   LYS  23          1HG       LYS  23  -4.288 -10.268 -12.811
  179   1HD   LYS  23          2HD       LYS  23  -4.421  -7.715 -13.437
  180   2HD   LYS  23          1HD       LYS  23  -2.760  -7.960 -13.978
  181   1HE   LYS  23          2HE       LYS  23  -3.817 -10.092 -15.158
  182   2HE   LYS  23          1HE       LYS  23  -5.295  -9.136 -15.049
  183   1HZ   LYS  23          3HZ       LYS  23  -4.062  -7.291 -16.110
  184   2HZ   LYS  23          2HZ       LYS  23  -2.743  -8.338 -16.339
  185   3HZ   LYS  23          1HZ       LYS  23  -4.225  -8.652 -17.108
  186    H    GLU  24           H        GLU  24  -2.641  -6.205  -9.683
  187    HA   GLU  24           HA       GLU  24  -1.194  -4.569 -11.687
  188   1HB   GLU  24          2HB       GLU  24  -4.143  -4.557 -11.253
  189   2HB   GLU  24          1HB       GLU  24  -3.359  -2.987 -11.436
  190   1HG   GLU  24          2HG       GLU  24  -2.179  -4.095 -13.492
  191   2HG   GLU  24          1HG       GLU  24  -3.497  -5.264 -13.400
  192    HA   LEU  25           HA       LEU  25  -0.719  -2.651  -7.636
  193   1HB   LEU  25          2HB       LEU  25   1.298  -3.868  -7.369
  194   2HB   LEU  25          1HB       LEU  25   2.033  -3.129  -8.789
  195    HG   LEU  25           HG       LEU  25   1.253  -1.121  -6.817
  196   1HD1  LEU  25          3HD1      LEU  25   2.431  -3.541  -5.793
  197   2HD1  LEU  25          2HD1      LEU  25   3.569  -2.205  -5.623
  198   3HD1  LEU  25          1HD1      LEU  25   1.956  -2.083  -4.923
  199   1HD2  LEU  25          2HD2      LEU  25   3.248  -1.603  -8.791
  200   2HD2  LEU  25          1HD2      LEU  25   2.968  -0.120  -7.877
  201   3HD2  LEU  25          3HD2      LEU  25   4.086  -1.338  -7.262
  202    NH1  ARG  26           NH2      ARG  26  -6.406   3.634  -9.132
  203    NH2  ARG  26           NH1      ARG  26  -7.792   2.147 -10.139
  204    H    ARG  26           H        ARG  26  -1.738  -0.670  -8.021
  205    HA   ARG  26           HA       ARG  26  -0.038   1.336  -9.421
  206   1HB   ARG  26          2HB       ARG  26  -2.271   2.494  -9.967
  207   2HB   ARG  26          1HB       ARG  26  -1.918   1.007 -10.845
  208   1HG   ARG  26          2HG       ARG  26  -3.366  -0.276  -9.401
  209   2HG   ARG  26          1HG       ARG  26  -3.575   1.091  -8.308
  210   1HD   ARG  26          2HD       ARG  26  -4.380   2.230 -10.630
  211   2HD   ARG  26          1HD       ARG  26  -4.847   0.557 -10.936
  212    HE   ARG  26           HE       ARG  26  -5.953   0.845  -8.528
  213   1HH1  ARG  26          1HH2      ARG  26  -5.548   3.834  -8.657
  214   2HH1  ARG  26          2HH2      ARG  26  -7.061   4.368  -9.311
  215   1HH2  ARG  26          2HH1      ARG  26  -7.992   1.212 -10.433
  216   2HH2  ARG  26          1HH1      ARG  26  -8.449   2.879 -10.320
  217    H    VAL  27           H        VAL  27   0.537   3.063  -8.185
  218    HA   VAL  27           HA       VAL  27  -0.824   3.446  -5.571
  219    HB   VAL  27           HB       VAL  27   1.201   4.785  -5.015
  220   1HG1  VAL  27          3HG1      VAL  27   1.001   2.254  -4.702
  221   2HG1  VAL  27          2HG1      VAL  27   2.023   2.107  -6.129
  222   3HG1  VAL  27          1HG1      VAL  27   2.634   2.919  -4.686
  223   1HG2  VAL  27          1HG2      VAL  27   1.664   5.404  -7.446
  224   2HG2  VAL  27          3HG2      VAL  27   3.073   4.917  -6.504
  225   3HG2  VAL  27          2HG2      VAL  27   2.333   3.782  -7.634
  226    H    ILE  28           H        ILE  28  -1.629   5.527  -4.975
  227    HA   ILE  28           HA       ILE  28  -2.074   7.356  -7.296
  228    HB   ILE  28           HB       ILE  28  -3.525   7.138  -4.634
  229   1HG1  ILE  28          2HG1      ILE  28  -4.360   6.485  -7.485
  230   2HG1  ILE  28          1HG1      ILE  28  -4.012   5.307  -6.220
  231   1HG2  ILE  28          1HG2      ILE  28  -3.403   9.475  -5.528
  232   2HG2  ILE  28          3HG2      ILE  28  -4.131   8.906  -7.029
  233   3HG2  ILE  28          2HG2      ILE  28  -5.045   8.835  -5.523
  234   1HD1  ILE  28          3HD1      ILE  28  -5.848   6.402  -4.846
  235   2HD1  ILE  28          2HD1      ILE  28  -6.278   7.315  -6.293
  236   3HD1  ILE  28          1HD1      ILE  28  -6.402   5.557  -6.291
  237    H    GLU  29           H        GLU  29  -0.857   9.163  -7.362
  238    HA   GLU  29           HA       GLU  29   0.996   9.882  -5.302
  239   1HB   GLU  29          2HB       GLU  29   1.247  12.002  -6.672
  240   2HB   GLU  29          1HB       GLU  29   1.520  10.506  -7.550
  241   1HG   GLU  29          2HG       GLU  29  -0.332  10.784  -8.860
  242   2HG   GLU  29          1HG       GLU  29  -1.280  11.474  -7.542
  243    H    SER  30           H        SER  30   1.035  12.275  -4.495
  244    HA   SER  30           HA       SER  30  -1.568  12.761  -3.143
  245   1HB   SER  30          2HB       SER  30   0.043  14.455  -1.876
  246   2HB   SER  30          1HB       SER  30   0.012  12.747  -1.462
  247    HG   SER  30           HG       SER  30   2.019  12.679  -2.057
  248    H    GLY  31           H        GLY  31  -2.275  15.020  -2.904
  249   1HA   GLY  31          2HA       GLY  31  -1.224  17.151  -4.529
  250   2HA   GLY  31          1HA       GLY  31  -2.592  16.393  -5.337
  251    HA   PRO  32           HA       PRO  32  -4.443  19.473  -2.462
  252   1HB   PRO  32          2HB       PRO  32  -6.301  20.357  -4.297
  253   2HB   PRO  32          1HB       PRO  32  -4.681  21.056  -4.129
  254   1HG   PRO  32          2HG       PRO  32  -5.724  19.207  -6.235
  255   2HG   PRO  32          1HG       PRO  32  -4.457  20.440  -6.352
  256   1HD   PRO  32          2HD       PRO  32  -4.001  17.679  -6.124
  257   2HD   PRO  32          1HD       PRO  32  -2.800  18.944  -5.787
  258    H    HIS  33           H        HIS  33  -5.820  17.165  -4.730
  259    HA   HIS  33           HA       HIS  33  -8.399  16.802  -3.584
  260   1HB   HIS  33          2HB       HIS  33  -8.366  14.615  -4.780
  261   2HB   HIS  33          1HB       HIS  33  -7.825  15.934  -5.814
  262    HD1  HIS  33           HD1      HIS  33  -5.190  16.119  -6.216
  263    HD2  HIS  33           HD2      HIS  33  -6.423  12.627  -4.302
  264    HE1  HIS  33           HE1      HIS  33  -3.185  14.579  -6.190
  265    H    CYS  34           H        CYS  34  -5.275  15.263  -2.883
  266    HA   CYS  34           HA       CYS  34  -6.342  14.353  -0.304
  267   1HB   CYS  34          2HB       CYS  34  -6.443  12.470  -2.044
  268   2HB   CYS  34          1HB       CYS  34  -4.680  12.515  -2.031
  269    H    ALA  35           H        ALA  35  -4.972  15.105   1.223
  270    HA   ALA  35           HA       ALA  35  -2.417  16.257   0.580
  271   1HB   ALA  35          1HB       ALA  35  -3.587  15.473   3.265
  272   2HB   ALA  35          3HB       ALA  35  -2.169  16.498   3.036
  273   3HB   ALA  35          2HB       ALA  35  -3.752  17.044   2.480
  274    H    ASN  36           H        ASN  36  -3.346  13.089   1.895
  275    HA   ASN  36           HA       ASN  36  -0.475  12.366   2.153
  276   1HB   ASN  36          2HB       ASN  36  -3.038  11.317   3.263
  277   2HB   ASN  36          1HB       ASN  36  -1.718  10.173   3.038
  278   1HD2  ASN  36          2HD2      ASN  36  -1.294  13.191   5.797
  279   2HD2  ASN  36          1HD2      ASN  36  -2.470  13.335   4.581
  280    H    THR  37           H        THR  37   0.369  10.470   1.149
  281    HA   THR  37           HA       THR  37  -0.929   9.800  -1.440
  282    HB   THR  37           HB       THR  37   1.791   8.841  -0.545
  283    HG1  THR  37           HG1      THR  37   2.216  10.899  -0.316
  284   1HG2  THR  37          2HG2      THR  37   0.628   9.613  -3.234
  285   2HG2  THR  37          1HG2      THR  37   2.252   8.983  -2.960
  286   3HG2  THR  37          3HG2      THR  37   0.848   7.964  -2.647
  287    H    GLU  38           H        GLU  38  -1.214   7.508  -2.043
  288    HA   GLU  38           HA       GLU  38  -0.949   5.532   0.154
  289   1HB   GLU  38          2HB       GLU  38  -3.324   6.830  -0.086
  290   2HB   GLU  38          1HB       GLU  38  -3.586   5.489  -1.199
  291   1HG   GLU  38          2HG       GLU  38  -4.314   4.675   0.910
  292   2HG   GLU  38          1HG       GLU  38  -2.712   3.971   0.684
  293    H    ILE  39           H        ILE  39  -0.871   3.367  -0.574
  294    HA   ILE  39           HA       ILE  39  -0.401   3.075  -3.500
  295    HB   ILE  39           HB       ILE  39   0.195   1.322  -1.095
  296   1HG1  ILE  39          2HG1      ILE  39   2.410   1.891  -2.849
  297   2HG1  ILE  39          1HG1      ILE  39   1.595   3.399  -2.437
  298   1HG2  ILE  39          3HG2      ILE  39   0.520   0.715  -4.046
  299   2HG2  ILE  39          2HG2      ILE  39   1.380  -0.158  -2.781
  300   3HG2  ILE  39          1HG2      ILE  39  -0.380  -0.220  -2.853
  301   1HD1  ILE  39          1HD1      ILE  39   1.804   1.740  -0.085
  302   2HD1  ILE  39          3HD1      ILE  39   3.394   1.927  -0.826
  303   3HD1  ILE  39          2HD1      ILE  39   2.464   3.351  -0.363
  304    H    ILE  40           H        ILE  40  -1.456   1.198  -4.630
  305    HA   ILE  40           HA       ILE  40  -3.822   0.032  -3.299
  306    HB   ILE  40           HB       ILE  40  -4.103   1.693  -5.826
  307   1HG1  ILE  40          2HG1      ILE  40  -5.356   2.130  -3.098
  308   2HG1  ILE  40          1HG1      ILE  40  -3.902   2.963  -3.642
  309   1HG2  ILE  40          3HG2      ILE  40  -5.568  -0.541  -4.922
  310   2HG2  ILE  40          2HG2      ILE  40  -6.558   0.862  -4.525
  311   3HG2  ILE  40          1HG2      ILE  40  -6.037   0.592  -6.188
  312   1HD1  ILE  40          3HD1      ILE  40  -5.228   3.730  -5.666
  313   2HD1  ILE  40          2HD1      ILE  40  -6.668   3.111  -4.858
  314   3HD1  ILE  40          1HD1      ILE  40  -5.743   4.422  -4.129
  315    H    VAL  41           H        VAL  41  -3.002  -2.034  -3.656
  316    HA   VAL  41           HA       VAL  41  -2.242  -2.802  -6.404
  317    HB   VAL  41           HB       VAL  41  -1.485  -4.893  -5.374
  318   1HG1  VAL  41          1HG1      VAL  41  -0.632  -2.346  -3.999
  319   2HG1  VAL  41          3HG1      VAL  41   0.192  -3.884  -3.744
  320   3HG1  VAL  41          2HG1      VAL  41   0.151  -3.161  -5.352
  321   1HG2  VAL  41          3HG2      VAL  41  -3.174  -3.940  -3.176
  322   2HG2  VAL  41          2HG2      VAL  41  -2.656  -5.579  -3.563
  323   3HG2  VAL  41          1HG2      VAL  41  -1.596  -4.514  -2.642
  324    H    LYS  42           H        LYS  42  -3.132  -4.961  -7.169
  325    HA   LYS  42           HA       LYS  42  -5.952  -5.362  -6.282
  326   1HB   LYS  42          2HB       LYS  42  -4.956  -4.539  -8.895
  327   2HB   LYS  42          1HB       LYS  42  -5.866  -6.045  -9.001
  328   1HG   LYS  42          2HG       LYS  42  -7.515  -4.687  -7.367
  329   2HG   LYS  42          1HG       LYS  42  -6.793  -3.322  -8.222
  330   1HD   LYS  42          2HD       LYS  42  -7.512  -5.509 -10.027
  331   2HD   LYS  42          1HD       LYS  42  -8.903  -4.884  -9.143
  332   1HE   LYS  42          2HE       LYS  42  -8.772  -3.515 -11.075
  333   2HE   LYS  42          1HE       LYS  42  -8.045  -2.542  -9.797
  334   1HZ   LYS  42          1HZ       LYS  42  -6.488  -4.268 -11.645
  335   2HZ   LYS  42          3HZ       LYS  42  -6.751  -2.613 -11.901
  336   3HZ   LYS  42          2HZ       LYS  42  -5.878  -3.132 -10.539
  337    H    LEU  43           H        LEU  43  -5.541  -7.266  -5.154
  338    HA   LEU  43           HA       LEU  43  -3.757  -9.328  -5.776
  339   1HB   LEU  43          2HB       LEU  43  -6.391  -9.267  -4.346
  340   2HB   LEU  43          1HB       LEU  43  -5.554 -10.790  -4.579
  341    HG   LEU  43           HG       LEU  43  -4.326  -8.333  -3.293
  342   1HD1  LEU  43          1HD1      LEU  43  -5.430 -10.880  -2.067
  343   2HD1  LEU  43          3HD1      LEU  43  -4.495  -9.668  -1.190
  344   3HD1  LEU  43          2HD1      LEU  43  -6.073  -9.251  -1.857
  345   1HD2  LEU  43          3HD2      LEU  43  -3.364 -11.143  -3.837
  346   2HD2  LEU  43          2HD2      LEU  43  -2.555  -9.616  -4.190
  347   3HD2  LEU  43          1HD2      LEU  43  -2.674 -10.186  -2.526
  348    H    SER  44           H        SER  44  -3.919 -11.263  -6.902
  349    HA   SER  44           HA       SER  44  -5.222 -11.284  -9.402
  350   1HB   SER  44          2HB       SER  44  -4.596 -13.706  -9.464
  351   2HB   SER  44          1HB       SER  44  -3.262 -12.653  -9.002
  352    HG   SER  44           HG       SER  44  -4.093 -14.698  -7.682
  353    H    ASP  45           H        ASP  45  -6.461 -12.195  -6.273
  354    HA   ASP  45           HA       ASP  45  -8.596 -13.858  -7.322
  355   1HB   ASP  45          2HB       ASP  45  -8.150 -12.678  -4.570
  356   2HB   ASP  45          1HB       ASP  45  -9.404 -13.850  -4.970
  357    H    GLY  46           H        GLY  46  -8.306 -10.865  -8.106
  358   1HA   GLY  46          2HA       GLY  46  -9.832  -9.192  -8.696
  359   2HA   GLY  46          1HA       GLY  46 -11.123 -10.266  -8.158
  360    NH1  ARG  47           NH1      ARG  47 -11.422 -10.527   0.969
  361    NH2  ARG  47           NH2      ARG  47 -13.266  -9.517   0.122
  362    H    ARG  47           H        ARG  47  -8.421  -9.269  -6.094
  363    HA   ARG  47           HA       ARG  47 -10.414  -7.851  -4.369
  364   1HB   ARG  47          2HB       ARG  47  -9.019  -9.947  -3.607
  365   2HB   ARG  47          1HB       ARG  47  -7.715  -8.778  -3.435
  366   1HG   ARG  47          2HG       ARG  47  -8.641  -8.644  -1.318
  367   2HG   ARG  47          1HG       ARG  47  -9.591  -7.405  -2.132
  368   1HD   ARG  47          2HD       ARG  47 -11.369  -9.055  -2.582
  369   2HD   ARG  47          1HD       ARG  47 -10.420 -10.298  -1.767
  370    HE   ARG  47           HE       ARG  47 -11.005  -7.912  -0.144
  371   1HH1  ARG  47          2HH1      ARG  47 -10.426 -10.603   1.030
  372   2HH1  ARG  47          1HH1      ARG  47 -12.003 -11.147   1.497
  373   1HH2  ARG  47          1HH2      ARG  47 -13.679  -8.819  -0.463
  374   2HH2  ARG  47          2HH2      ARG  47 -13.848 -10.136   0.649
  375    H    GLU  48           H        GLU  48  -9.520  -5.941  -3.177
  376    HA   GLU  48           HA       GLU  48  -7.221  -4.623  -4.539
  377   1HB   GLU  48          2HB       GLU  48  -9.658  -3.878  -5.301
  378   2HB   GLU  48          1HB       GLU  48  -9.607  -2.963  -3.793
  379   1HG   GLU  48          2HG       GLU  48  -7.338  -2.077  -4.562
  380   2HG   GLU  48          1HG       GLU  48  -7.707  -2.770  -6.140
  381    H    LEU  49           H        LEU  49  -5.782  -4.186  -2.953
  382    HA   LEU  49           HA       LEU  49  -6.850  -3.368  -0.270
  383   1HB   LEU  49          2HB       LEU  49  -5.022  -5.533  -1.000
  384   2HB   LEU  49          1HB       LEU  49  -4.308  -4.420   0.166
  385    HG   LEU  49           HG       LEU  49  -6.636  -4.654   1.379
  386   1HD1  LEU  49          2HD1      LEU  49  -7.620  -6.008  -0.484
  387   2HD1  LEU  49          1HD1      LEU  49  -6.444  -7.275  -0.135
  388   3HD1  LEU  49          3HD1      LEU  49  -7.659  -6.844   1.068
  389   1HD2  LEU  49          2HD2      LEU  49  -4.223  -5.519   1.968
  390   2HD2  LEU  49          1HD2      LEU  49  -5.612  -6.180   2.830
  391   3HD2  LEU  49          3HD2      LEU  49  -4.875  -7.091   1.511
  392    H    CYS  50           H        CYS  50  -6.146  -1.345   0.278
  393    HA   CYS  50           HA       CYS  50  -4.059  -0.054  -1.326
  394   1HB   CYS  50          2HB       CYS  50  -4.859   1.311   1.118
  395   2HB   CYS  50          1HB       CYS  50  -4.837   1.904  -0.525
  396    H    LEU  51           H        LEU  51  -1.917   0.174  -0.668
  397    HA   LEU  51           HA       LEU  51  -1.207  -1.217   1.828
  398   1HB   LEU  51          2HB       LEU  51   0.430  -0.343  -0.536
  399   2HB   LEU  51          1HB       LEU  51   1.138  -0.994   0.919
  400    HG   LEU  51           HG       LEU  51  -0.403  -3.007   0.622
  401   1HD1  LEU  51          3HD1      LEU  51  -1.137  -1.386  -1.699
  402   2HD1  LEU  51          2HD1      LEU  51  -0.712  -3.042  -2.117
  403   3HD1  LEU  51          1HD1      LEU  51  -1.992  -2.730  -0.948
  404   1HD2  LEU  51          1HD2      LEU  51   1.755  -2.375  -1.411
  405   2HD2  LEU  51          3HD2      LEU  51   1.960  -3.199   0.133
  406   3HD2  LEU  51          2HD2      LEU  51   1.076  -3.985  -1.174
  407    H    ASP  52           H        ASP  52   0.334  -0.351   3.220
  408    HA   ASP  52           HA       ASP  52   0.152   2.605   3.507
  409   1HB   ASP  52          2HB       ASP  52  -0.735   0.940   5.289
  410   2HB   ASP  52          1HB       ASP  52   0.963   0.650   5.663
  411    HA   PRO  53           HA       PRO  53   4.484   2.417   2.379
  412   1HB   PRO  53          2HB       PRO  53   4.828   5.153   2.384
  413   2HB   PRO  53          1HB       PRO  53   4.152   4.234   1.028
  414   1HG   PRO  53          2HG       PRO  53   2.735   5.928   3.048
  415   2HG   PRO  53          1HG       PRO  53   2.312   5.605   1.358
  416   1HD   PRO  53          2HD       PRO  53   1.093   4.387   3.560
  417   2HD   PRO  53          1HD       PRO  53   1.072   3.741   1.905
  418    H    LYS  54           H        LYS  54   3.087   3.414   5.332
  419    HA   LYS  54           HA       LYS  54   5.316   4.566   6.656
  420   1HB   LYS  54          2HB       LYS  54   2.688   3.865   7.329
  421   2HB   LYS  54          1HB       LYS  54   3.701   2.932   8.426
  422   1HG   LYS  54          2HG       LYS  54   4.695   4.856   9.343
  423   2HG   LYS  54          1HG       LYS  54   4.247   5.859   7.964
  424   1HD   LYS  54          2HD       LYS  54   1.782   5.165   8.755
  425   2HD   LYS  54          1HD       LYS  54   2.604   5.011  10.309
  426   1HE   LYS  54          2HE       LYS  54   3.006   7.466   8.608
  427   2HE   LYS  54          1HE       LYS  54   1.597   7.329   9.660
  428   1HZ   LYS  54          1HZ       LYS  54   3.124   6.881  11.518
  429   2HZ   LYS  54          3HZ       LYS  54   4.445   7.144  10.487
  430   3HZ   LYS  54          2HZ       LYS  54   3.370   8.415  10.830
  431    H    GLU  55           H        GLU  55   4.532   1.220   5.854
  432    HA   GLU  55           HA       GLU  55   6.589   0.153   7.676
  433   1HB   GLU  55          2HB       GLU  55   4.641  -1.040   5.729
  434   2HB   GLU  55          1HB       GLU  55   6.014  -1.984   6.250
  435   1HG   GLU  55          2HG       GLU  55   4.902  -0.781   8.565
  436   2HG   GLU  55          1HG       GLU  55   3.578  -1.507   7.663
  437    H    ASN  56           H        ASN  56   8.175  -1.433   6.581
  438    HA   ASN  56           HA       ASN  56   9.523   0.012   4.369
  439   1HB   ASN  56          2HB       ASN  56  10.417  -1.396   6.668
  440   2HB   ASN  56          1HB       ASN  56  11.043  -2.206   5.239
  441   1HD2  ASN  56          2HD2      ASN  56  12.184   1.687   5.933
  442   2HD2  ASN  56          1HD2      ASN  56  10.731   1.124   6.605
  443    CH2  TRP  57           CH2      TRP  57   1.799  -4.650   2.466
  444    H    TRP  57           H        TRP  57   7.627  -2.799   4.956
  445    HA   TRP  57           HA       TRP  57   8.665  -4.327   2.735
  446   1HB   TRP  57          2HB       TRP  57   7.013  -5.944   3.294
  447   2HB   TRP  57          1HB       TRP  57   7.601  -5.313   4.804
  448    HD1  TRP  57           HD1      TRP  57   5.939  -4.143   6.332
  449    HE1  TRP  57           HE1      TRP  57   3.398  -3.804   6.276
  450    HE3  TRP  57           HE3      TRP  57   4.975  -5.429   1.505
  451    HZ2  TRP  57           HZ2      TRP  57   1.234  -3.990   4.434
  452    HZ3  TRP  57           HZ3      TRP  57   2.670  -5.316   0.620
  453    HH2  TRP  57           HH2      TRP  57   0.794  -4.606   2.072
  454    H    VAL  58           H        VAL  58   5.933  -2.165   3.316
  455    HA   VAL  58           HA       VAL  58   4.616  -2.645   0.797
  456    HB   VAL  58           HB       VAL  58   4.562  -0.468   2.857
  457   1HG1  VAL  58          1HG1      VAL  58   3.397  -0.299   0.077
  458   2HG1  VAL  58          3HG1      VAL  58   2.748   0.630   1.428
  459   3HG1  VAL  58          2HG1      VAL  58   4.411   0.885   0.901
  460   1HG2  VAL  58          3HG2      VAL  58   2.720  -2.547   1.772
  461   2HG2  VAL  58          2HG2      VAL  58   3.101  -2.150   3.446
  462   3HG2  VAL  58          1HG2      VAL  58   2.031  -1.105   2.515
  463    H    GLN  59           H        GLN  59   7.071  -0.273   1.834
  464    HA   GLN  59           HA       GLN  59   7.230   0.959  -0.775
  465   1HB   GLN  59          2HB       GLN  59   9.176   2.142   0.140
  466   2HB   GLN  59          1HB       GLN  59   7.803   2.219   1.239
  467   1HG   GLN  59          2HG       GLN  59   8.720   0.334   2.511
  468   2HG   GLN  59          1HG       GLN  59  10.093   0.261   1.416
  469   1HE2  GLN  59          2HE2      GLN  59  11.859   2.739   3.189
  470   2HE2  GLN  59          1HE2      GLN  59  11.904   1.438   2.100
  471    NH1  ARG  60           NH2      ARG  60  14.545  -4.063   3.542
  472    NH2  ARG  60           NH1      ARG  60  15.724  -5.014   1.855
  473    H    ARG  60           H        ARG  60   8.814  -1.762   0.766
  474    HA   ARG  60           HA       ARG  60  10.942  -1.913  -1.252
  475   1HB   ARG  60          2HB       ARG  60  10.096  -3.555   1.113
  476   2HB   ARG  60          1HB       ARG  60  11.092  -4.314  -0.123
  477   1HG   ARG  60          2HG       ARG  60  12.144  -1.698   0.489
  478   2HG   ARG  60          1HG       ARG  60  11.960  -2.625   1.976
  479   1HD   ARG  60          2HD       ARG  60  13.174  -3.968  -0.415
  480   2HD   ARG  60          1HD       ARG  60  14.162  -2.851   0.525
  481    HE   ARG  60           HE       ARG  60  12.852  -5.272   1.704
  482   1HH1  ARG  60          1HH2      ARG  60  13.683  -3.706   3.903
  483   2HH1  ARG  60          2HH2      ARG  60  15.368  -4.051   4.112
  484   1HH2  ARG  60          2HH1      ARG  60  15.764  -5.384   0.926
  485   2HH2  ARG  60          1HH1      ARG  60  16.548  -5.002   2.423
  486    H    VAL  61           H        VAL  61   7.861  -3.506  -0.501
  487    HA   VAL  61           HA       VAL  61   7.945  -5.449  -2.611
  488    HB   VAL  61           HB       VAL  61   5.726  -4.173  -1.004
  489   1HG1  VAL  61          1HG1      VAL  61   5.524  -6.031  -3.357
  490   2HG1  VAL  61          3HG1      VAL  61   4.341  -6.119  -2.051
  491   3HG1  VAL  61          2HG1      VAL  61   4.536  -4.624  -2.966
  492   1HG2  VAL  61          2HG2      VAL  61   7.272  -5.857   0.032
  493   2HG2  VAL  61          1HG2      VAL  61   5.589  -6.381   0.003
  494   3HG2  VAL  61          3HG2      VAL  61   6.734  -7.029  -1.170
  495    H    VAL  62           H        VAL  62   6.689  -2.121  -2.444
  496    HA   VAL  62           HA       VAL  62   5.591  -2.099  -5.108
  497    HB   VAL  62           HB       VAL  62   6.515   0.145  -3.284
  498   1HG1  VAL  62          3HG1      VAL  62   5.011   0.264  -5.920
  499   2HG1  VAL  62          2HG1      VAL  62   5.188   1.621  -4.806
  500   3HG1  VAL  62          1HG1      VAL  62   6.610   0.936  -5.592
  501   1HG2  VAL  62          1HG2      VAL  62   4.434  -1.459  -2.862
  502   2HG2  VAL  62          3HG2      VAL  62   4.311   0.276  -2.566
  503   3HG2  VAL  62          2HG2      VAL  62   3.672  -0.411  -4.059
  504    H    GLU  63           H        GLU  63   8.795  -1.245  -3.787
  505    HA   GLU  63           HA       GLU  63   9.821  -0.237  -6.269
  506   1HB   GLU  63          2HB       GLU  63  10.735  -0.227  -3.683
  507   2HB   GLU  63          1HB       GLU  63  11.791  -1.425  -4.429
  508   1HG   GLU  63          2HG       GLU  63  11.284   1.356  -5.533
  509   2HG   GLU  63          1HG       GLU  63  12.707   0.891  -4.603
  510    H    LYS  64           H        LYS  64   9.978  -3.432  -4.682
  511    HA   LYS  64           HA       LYS  64  11.617  -4.643  -6.690
  512   1HB   LYS  64          2HB       LYS  64  10.904  -5.445  -4.255
  513   2HB   LYS  64          1HB       LYS  64   9.636  -6.273  -5.158
  514   1HG   LYS  64          2HG       LYS  64  11.345  -7.869  -5.152
  515   2HG   LYS  64          1HG       LYS  64  11.609  -7.057  -6.696
  516   1HD   LYS  64          2HD       LYS  64  13.397  -5.740  -5.807
  517   2HD   LYS  64          1HD       LYS  64  13.000  -6.196  -4.150
  518   1HE   LYS  64          2HE       LYS  64  13.730  -8.306  -6.170
  519   2HE   LYS  64          1HE       LYS  64  14.990  -7.400  -5.335
  520   1HZ   LYS  64          3HZ       LYS  64  13.831  -8.036  -3.219
  521   2HZ   LYS  64          2HZ       LYS  64  12.887  -9.112  -4.137
  522   3HZ   LYS  64          1HZ       LYS  64  14.571  -9.314  -4.052
  523    H    PHE  65           H        PHE  65   8.146  -4.143  -6.360
  524    HA   PHE  65           HA       PHE  65   7.388  -5.910  -8.539
  525   1HB   PHE  65          2HB       PHE  65   6.006  -4.965  -6.503
  526   2HB   PHE  65          1HB       PHE  65   5.712  -3.610  -7.583
  527    HD1  PHE  65           HD2      PHE  65   5.523  -7.351  -7.421
  528    HD2  PHE  65           HD1      PHE  65   4.025  -3.744  -9.207
  529    HE1  PHE  65           HE2      PHE  65   3.753  -8.652  -8.573
  530    HE2  PHE  65           HE1      PHE  65   2.256  -5.043 -10.359
  531    HZ   PHE  65           HZ       PHE  65   2.121  -7.499 -10.042
  532    H    LEU  66           H        LEU  66   7.749  -2.365  -8.178
  533    HA   LEU  66           HA       LEU  66   7.145  -1.877 -10.998
  534   1HB   LEU  66          2HB       LEU  66   6.671  -0.231  -9.155
  535   2HB   LEU  66          1HB       LEU  66   8.410   0.008  -8.986
  536    HG   LEU  66           HG       LEU  66   8.268   0.426 -11.607
  537   1HD1  LEU  66          2HD1      LEU  66   5.466   0.903 -10.579
  538   2HD1  LEU  66          1HD1      LEU  66   6.089   1.746 -11.998
  539   3HD1  LEU  66          3HD1      LEU  66   5.966  -0.014 -11.999
  540   1HD2  LEU  66          1HD2      LEU  66   7.441   2.400  -9.456
  541   2HD2  LEU  66          3HD2      LEU  66   9.078   2.088 -10.031
  542   3HD2  LEU  66          2HD2      LEU  66   7.904   2.864 -11.093
  543    H    LYS  67           H        LYS  67  10.112  -1.470  -9.017
  544    HA   LYS  67           HA       LYS  67  12.368  -1.584  -9.602
  545   1HB   LYS  67          2HB       LYS  67  11.454  -3.804 -10.630
  546   2HB   LYS  67          1HB       LYS  67  11.608  -2.965 -12.173
  547   1HG   LYS  67          2HG       LYS  67  13.756  -3.715 -12.125
  548   2HG   LYS  67          1HG       LYS  67  14.018  -2.382 -11.000
  549   1HD   LYS  67          2HD       LYS  67  14.808  -4.092  -9.679
  550   2HD   LYS  67          1HD       LYS  67  13.100  -4.210  -9.255
  551   1HE   LYS  67          2HE       LYS  67  13.508  -5.692 -11.665
  552   2HE   LYS  67          1HE       LYS  67  14.746  -6.183 -10.510
  553   1HZ   LYS  67          3HZ       LYS  67  11.828  -6.076  -9.961
  554   2HZ   LYS  67          2HZ       LYS  67  12.720  -7.487 -10.274
  555   3HZ   LYS  67          1HZ       LYS  67  13.027  -6.580  -8.871
  556    NH1  ARG  68           NH2      ARG  68  17.833  -0.903 -11.734
  557    NH2  ARG  68           NH1      ARG  68  17.857   0.408 -13.584
  558    H    ARG  68           H        ARG  68  11.387   0.821 -10.044
  559    HA   ARG  68           HA       ARG  68  11.784   2.807 -11.207
  560   1HB   ARG  68          2HB       ARG  68  13.528   1.108 -13.018
  561   2HB   ARG  68          1HB       ARG  68  13.555   2.864 -12.879
  562   1HG   ARG  68          2HG       ARG  68  14.286   2.718 -10.559
  563   2HG   ARG  68          1HG       ARG  68  14.143   0.959 -10.594
  564   1HD   ARG  68          2HD       ARG  68  15.933   2.448 -12.519
  565   2HD   ARG  68          1HD       ARG  68  16.499   1.929 -10.932
  566    HE   ARG  68           HE       ARG  68  15.265  -0.249 -12.405
  567   1HH1  ARG  68          1HH2      ARG  68  17.359  -1.250 -10.925
  568   2HH1  ARG  68          2HH2      ARG  68  18.763  -1.211 -11.938
  569   1HH2  ARG  68          2HH1      ARG  68  17.401   1.062 -14.188
  570   2HH2  ARG  68          1HH1      ARG  68  18.786   0.102 -13.791
  571    H    ALA  69           H        ALA  69  11.431   3.827 -13.436
  572    HA   ALA  69           HA       ALA  69  10.022   2.274 -15.454
  573   1HB   ALA  69          1HB       ALA  69   8.381   2.701 -13.444
  574   2HB   ALA  69          3HB       ALA  69   8.302   4.336 -14.101
  575   3HB   ALA  69          2HB       ALA  69   7.817   2.960 -15.094
  576    H    GLU  70           H        GLU  70   9.110   3.808 -17.175
  577    HA   GLU  70           HA       GLU  70  11.049   6.000 -17.580
  578   1HB   GLU  70          2HB       GLU  70   8.829   5.056 -19.423
  579   2HB   GLU  70          1HB       GLU  70  10.199   6.078 -19.855
  580   1HG   GLU  70          2HG       GLU  70  11.761   4.275 -19.447
  581   2HG   GLU  70          1HG       GLU  70  10.481   3.251 -18.798
  582    H    ASN  71           H        ASN  71   9.370   7.715 -19.173
  583    HA   ASN  71           HA       ASN  71   8.128   9.262 -17.034
  584   1HB   ASN  71          2HB       ASN  71   9.345  10.210 -19.073
  585   2HB   ASN  71          1HB       ASN  71   7.907   9.794 -20.005
  586   1HD2  ASN  71          2HD2      ASN  71   7.855  13.037 -17.552
  587   2HD2  ASN  71          1HD2      ASN  71   9.227  12.044 -17.660
  588    H    SER  72           H        SER  72   6.820   7.920 -20.104
  589    HA   SER  72           HA       SER  72   4.721   7.023 -20.605
  590   1HB   SER  72          2HB       SER  72   5.116   5.878 -18.308
  591   2HB   SER  72          1HB       SER  72   4.010   7.089 -17.670
  592    HG   SER  72           HG       SER  72   2.682   5.500 -18.278
  593   1HC   CH3  25          1H        LEU  25  -0.369  -1.977 -11.229
  594   2HC   CH3  25          2H        LEU  25   1.223  -2.471 -10.652
  595   3HC   CH3  25          3H        LEU  25   0.254  -3.580 -11.620
   
  Start of MODEL          11
 Raw file had  595 H/Q atoms
  Start of MODEL   11
    1   1H    GLU   4          3H        GLU   4 -13.142  13.270 -10.036
    2   2H    GLU   4          2H        GLU   4 -13.004  11.628  -9.620
    3   3H    GLU   4          1H        GLU   4 -14.537  12.321  -9.862
    4    HA   GLU   4           HA       GLU   4 -14.298  13.701  -7.928
    5   1HB   GLU   4          2HB       GLU   4 -14.773  11.029  -7.897
    6   2HB   GLU   4          1HB       GLU   4 -13.359  11.097  -6.844
    7   1HG   GLU   4          2HG       GLU   4 -14.470  12.810  -5.454
    8   2HG   GLU   4          1HG       GLU   4 -15.886  12.743  -6.503
    9    H    LEU   5           H        LEU   5 -12.975  14.039  -5.896
   10    HA   LEU   5           HA       LEU   5 -10.060  13.649  -6.337
   11   1HB   LEU   5          2HB       LEU   5  -9.755  16.020  -5.351
   12   2HB   LEU   5          1HB       LEU   5 -10.237  15.895  -7.035
   13    HG   LEU   5           HG       LEU   5 -11.491  17.636  -5.694
   14   1HD1  LEU   5          3HD1      LEU   5 -12.387  15.938  -7.679
   15   2HD1  LEU   5          2HD1      LEU   5 -13.662  15.833  -6.465
   16   3HD1  LEU   5          1HD1      LEU   5 -13.205  17.401  -7.131
   17   1HD2  LEU   5          3HD2      LEU   5 -11.691  16.361  -3.584
   18   2HD2  LEU   5          2HD2      LEU   5 -13.272  16.868  -4.176
   19   3HD2  LEU   5          1HD2      LEU   5 -12.747  15.199  -4.386
   20    NH1  ARG   6           NH2      ARG   6 -15.991  15.081   0.343
   21    NH2  ARG   6           NH1      ARG   6 -14.787  14.488   2.173
   22    H    ARG   6           H        ARG   6 -11.638  12.092  -4.681
   23    HA   ARG   6           HA       ARG   6 -10.940  13.085  -1.953
   24   1HB   ARG   6          2HB       ARG   6 -13.173  11.393  -3.008
   25   2HB   ARG   6          1HB       ARG   6 -12.628  11.147  -1.358
   26   1HG   ARG   6          2HG       ARG   6 -13.148  13.946  -2.285
   27   2HG   ARG   6          1HG       ARG   6 -14.525  12.917  -1.888
   28   1HD   ARG   6          2HD       ARG   6 -13.722  12.559   0.347
   29   2HD   ARG   6          1HD       ARG   6 -12.168  13.301  -0.027
   30    HE   ARG   6           HE       ARG   6 -13.322  15.479  -0.148
   31   1HH1  ARG   6          1HH2      ARG   6 -16.039  15.274  -0.638
   32   2HH1  ARG   6          2HH2      ARG   6 -16.817  15.144   0.904
   33   1HH2  ARG   6          2HH1      ARG   6 -13.915  14.230   2.589
   34   2HH2  ARG   6          1HH1      ARG   6 -15.611  14.551   2.737
   35    H    CYS   7           H        CYS   7 -10.680  11.068  -0.440
   36    HA   CYS   7           HA       CYS   7  -8.480   9.452  -1.559
   37   1HB   CYS   7          2HB       CYS   7  -9.582   9.519   1.264
   38   2HB   CYS   7          1HB       CYS   7  -8.046   8.842   0.746
   39    H    GLN   8           H        GLN   8  -9.075   7.606  -2.587
   40    HA   GLN   8           HA       GLN   8 -11.600   6.304  -2.271
   41   1HB   GLN   8          2HB       GLN   8  -8.961   5.369  -3.425
   42   2HB   GLN   8          1HB       GLN   8 -10.433   4.407  -3.489
   43   1HG   GLN   8          2HG       GLN   8 -10.239   7.235  -4.555
   44   2HG   GLN   8          1HG       GLN   8 -10.020   5.799  -5.554
   45   1HE2  GLN   8          2HE2      GLN   8 -13.762   6.989  -4.565
   46   2HE2  GLN   8          1HE2      GLN   8 -12.394   7.881  -4.102
   47    H    CYS   9           H        CYS   9  -8.602   6.040  -0.478
   48    HA   CYS   9           HA       CYS   9  -9.825   3.815   1.105
   49   1HB   CYS   9          2HB       CYS   9  -7.159   4.037  -0.120
   50   2HB   CYS   9          1HB       CYS   9  -7.122   3.589   1.582
   51    H    ILE  10           H        ILE  10 -10.583   4.917   2.885
   52    HA   ILE  10           HA       ILE  10  -9.265   7.201   4.065
   53    HB   ILE  10           HB       ILE  10 -11.212   5.239   5.339
   54   1HG1  ILE  10          2HG1      ILE  10 -12.480   7.681   4.751
   55   2HG1  ILE  10          1HG1      ILE  10 -11.533   7.303   3.312
   56   1HG2  ILE  10          2HG2      ILE  10 -10.331   8.038   6.109
   57   2HG2  ILE  10          1HG2      ILE  10 -11.703   7.200   6.833
   58   3HG2  ILE  10          3HG2      ILE  10 -10.073   6.557   7.032
   59   1HD1  ILE  10          3HD1      ILE  10 -13.006   5.020   4.496
   60   2HD1  ILE  10          2HD1      ILE  10 -14.009   6.284   3.784
   61   3HD1  ILE  10          1HD1      ILE  10 -12.792   5.469   2.803
   62    H    LYS  11           H        LYS  11  -9.068   3.718   4.524
   63    HA   LYS  11           HA       LYS  11  -6.804   4.116   6.446
   64   1HB   LYS  11          2HB       LYS  11  -8.908   1.948   6.256
   65   2HB   LYS  11          1HB       LYS  11  -7.381   1.677   7.095
   66   1HG   LYS  11          2HG       LYS  11  -8.672   2.448   8.855
   67   2HG   LYS  11          1HG       LYS  11  -8.009   3.975   8.274
   68   1HD   LYS  11          2HD       LYS  11 -10.019   4.688   7.450
   69   2HD   LYS  11          1HD       LYS  11 -10.500   3.070   6.941
   70   1HE   LYS  11          2HE       LYS  11 -11.963   3.417   8.715
   71   2HE   LYS  11          1HE       LYS  11 -10.625   2.621   9.542
   72   1HZ   LYS  11          1HZ       LYS  11 -10.942   5.566   9.316
   73   2HZ   LYS  11          3HZ       LYS  11 -11.408   4.654  10.668
   74   3HZ   LYS  11          2HZ       LYS  11  -9.770   4.734  10.225
   75    H    THR  12           H        THR  12  -5.187   2.170   6.231
   76    HA   THR  12           HA       THR  12  -5.060   1.319   3.367
   77    HB   THR  12           HB       THR  12  -2.421   1.456   4.071
   78    HG1  THR  12           HG1      THR  12  -2.494   2.655   5.830
   79   1HG2  THR  12          2HG2      THR  12  -4.169   3.535   2.743
   80   2HG2  THR  12          1HG2      THR  12  -2.409   3.481   2.628
   81   3HG2  THR  12          3HG2      THR  12  -3.377   2.166   1.963
   82    OH   TYR  13           OH       TYR  13  -2.852  -8.501   4.098
   83    H    TYR  13           H        TYR  13  -3.157  -0.346   3.158
   84    HA   TYR  13           HA       TYR  13  -3.855  -2.570   4.956
   85   1HB   TYR  13          2HB       TYR  13  -3.708  -2.694   2.382
   86   2HB   TYR  13          1HB       TYR  13  -1.965  -2.651   2.602
   87    HD1  TYR  13           HD1      TYR  13  -4.317  -4.261   4.952
   88    HD2  TYR  13           HD2      TYR  13  -1.475  -4.812   1.784
   89    HE1  TYR  13           HE1      TYR  13  -4.295  -6.709   5.406
   90    HE2  TYR  13           HE2      TYR  13  -1.447  -7.262   2.232
   91    HH   TYR  13           HH       TYR  13  -3.657  -8.880   3.734
   92    H    SER  14           H        SER  14  -2.730  -2.300   6.874
   93    HA   SER  14           HA       SER  14   0.078  -1.470   6.895
   94   1HB   SER  14          2HB       SER  14  -1.725  -1.069   8.741
   95   2HB   SER  14          1HB       SER  14  -1.350  -2.717   9.238
   96    HG   SER  14           HG       SER  14  -0.089  -0.789  10.115
   97    H    LYS  15           H        LYS  15  -1.719  -4.513   7.081
   98    HA   LYS  15           HA       LYS  15   0.567  -6.093   7.879
   99   1HB   LYS  15          2HB       LYS  15  -1.520  -7.419   6.262
  100   2HB   LYS  15          1HB       LYS  15  -0.800  -7.915   7.774
  101   1HG   LYS  15          2HG       LYS  15  -2.146  -5.759   8.657
  102   2HG   LYS  15          1HG       LYS  15  -3.183  -6.200   7.301
  103   1HD   LYS  15          2HD       LYS  15  -2.273  -8.224   9.356
  104   2HD   LYS  15          1HD       LYS  15  -3.747  -7.277   9.558
  105   1HE   LYS  15          2HE       LYS  15  -4.587  -8.130   7.391
  106   2HE   LYS  15          1HE       LYS  15  -3.122  -9.096   7.210
  107   1HZ   LYS  15          3HZ       LYS  15  -3.686 -10.251   9.267
  108   2HZ   LYS  15          2HZ       LYS  15  -5.109  -9.333   9.407
  109   3HZ   LYS  15          1HZ       LYS  15  -4.919 -10.417   8.113
  110    HA   PRO  16           HA       PRO  16   2.502  -6.152   3.915
  111   1HB   PRO  16          2HB       PRO  16   4.458  -7.935   4.589
  112   2HB   PRO  16          1HB       PRO  16   4.457  -6.254   5.107
  113   1HG   PRO  16          2HG       PRO  16   3.913  -8.694   6.707
  114   2HG   PRO  16          1HG       PRO  16   4.432  -7.092   7.253
  115   1HD   PRO  16          2HD       PRO  16   1.775  -8.171   7.345
  116   2HD   PRO  16          1HD       PRO  16   2.273  -6.524   7.769
  117    H    PHE  17           H        PHE  17   3.035  -7.706   2.171
  118    HA   PHE  17           HA       PHE  17   2.226 -10.481   2.385
  119   1HB   PHE  17          2HB       PHE  17   0.220 -10.497   1.142
  120   2HB   PHE  17          1HB       PHE  17   0.021  -9.160   2.264
  121    HD1  PHE  17           HD2      PHE  17   1.561  -6.980   1.010
  122    HD2  PHE  17           HD1      PHE  17  -0.960  -9.957  -0.792
  123    HE1  PHE  17           HE2      PHE  17   1.131  -5.463  -0.901
  124    HE2  PHE  17           HE1      PHE  17  -1.392  -8.431  -2.696
  125    HZ   PHE  17           HZ       PHE  17  -0.348  -6.190  -2.753
  126    H    HIS  18           H        HIS  18   2.369 -11.602   0.216
  127    HA   HIS  18           HA       HIS  18   4.757 -10.714  -1.156
  128   1HB   HIS  18          2HB       HIS  18   4.504 -13.038  -0.826
  129   2HB   HIS  18          1HB       HIS  18   2.876 -13.030  -1.493
  130    HD1  HIS  18           HD1      HIS  18   6.492 -12.998  -2.512
  131    HD2  HIS  18           HD2      HIS  18   2.739 -12.873  -4.256
  132    HE1  HIS  18           HE1      HIS  18   6.835 -13.353  -5.007
  133    HA   PRO  19           HA       PRO  19   2.899  -8.172  -4.209
  134   1HB   PRO  19          2HB       PRO  19   5.077  -7.949  -5.851
  135   2HB   PRO  19          1HB       PRO  19   4.901  -7.099  -4.312
  136   1HG   PRO  19          2HG       PRO  19   6.588  -9.467  -4.969
  137   2HG   PRO  19          1HG       PRO  19   6.840  -8.220  -3.736
  138   1HD   PRO  19          2HD       PRO  19   5.854 -10.819  -3.270
  139   2HD   PRO  19          1HD       PRO  19   5.772  -9.461  -2.133
  140    H    LYS  20           H        LYS  20   4.722 -10.951  -5.619
  141    HA   LYS  20           HA       LYS  20   3.806 -10.751  -8.233
  142   1HB   LYS  20          2HB       LYS  20   5.380 -12.522  -7.152
  143   2HB   LYS  20          1HB       LYS  20   3.904 -13.469  -7.074
  144   1HG   LYS  20          2HG       LYS  20   3.574 -12.893  -9.549
  145   2HG   LYS  20          1HG       LYS  20   5.248 -12.339  -9.523
  146   1HD   LYS  20          2HD       LYS  20   4.512 -15.077  -8.494
  147   2HD   LYS  20          1HD       LYS  20   4.789 -14.802 -10.214
  148   1HE   LYS  20          2HE       LYS  20   7.037 -13.990  -9.780
  149   2HE   LYS  20          1HE       LYS  20   6.769 -14.063  -8.038
  150   1HZ   LYS  20          2HZ       LYS  20   6.725 -16.388  -9.889
  151   2HZ   LYS  20          1HZ       LYS  20   7.998 -15.988  -8.837
  152   3HZ   LYS  20          3HZ       LYS  20   6.494 -16.451  -8.206
  153    H    PHE  21           H        PHE  21   1.868 -11.745  -5.476
  154    HA   PHE  21           HA       PHE  21  -0.257 -13.039  -6.875
  155   1HB   PHE  21          2HB       PHE  21  -0.507 -11.299  -4.449
  156   2HB   PHE  21          1HB       PHE  21  -1.634 -12.528  -4.960
  157    HD1  PHE  21           HD2      PHE  21   0.696 -14.519  -5.789
  158    HD2  PHE  21           HD1      PHE  21  -0.212 -12.269  -2.241
  159    HE1  PHE  21           HE2      PHE  21   1.912 -16.185  -4.412
  160    HE2  PHE  21           HE1      PHE  21   0.998 -13.937  -0.870
  161    HZ   PHE  21           HZ       PHE  21   2.059 -15.898  -1.955
  162    H    ILE  22           H        ILE  22   0.457  -9.670  -6.161
  163    HA   ILE  22           HA       ILE  22  -1.952  -8.458  -7.051
  164    HB   ILE  22           HB       ILE  22   0.906  -7.431  -7.063
  165   1HG1  ILE  22          2HG1      ILE  22   0.223  -7.932  -4.821
  166   2HG1  ILE  22          1HG1      ILE  22   0.021  -6.193  -5.012
  167   1HG2  ILE  22          1HG2      ILE  22  -1.682  -6.169  -7.823
  168   2HG2  ILE  22          3HG2      ILE  22  -0.561  -5.199  -6.871
  169   3HG2  ILE  22          2HG2      ILE  22  -0.057  -5.854  -8.426
  170   1HD1  ILE  22          2HD1      ILE  22  -2.414  -6.708  -5.658
  171   2HD1  ILE  22          1HD1      ILE  22  -2.117  -8.328  -5.026
  172   3HD1  ILE  22          3HD1      ILE  22  -1.982  -6.928  -3.963
  173    H    LYS  23           H        LYS  23  -2.831  -8.432  -9.011
  174    HA   LYS  23           HA       LYS  23  -1.257  -9.170 -11.388
  175   1HB   LYS  23          2HB       LYS  23  -3.837  -9.670 -10.703
  176   2HB   LYS  23          1HB       LYS  23  -4.060  -8.214 -11.674
  177   1HG   LYS  23          2HG       LYS  23  -2.982  -9.216 -13.574
  178   2HG   LYS  23          1HG       LYS  23  -2.441 -10.593 -12.615
  179   1HD   LYS  23          2HD       LYS  23  -4.876 -11.136 -12.189
  180   2HD   LYS  23          1HD       LYS  23  -5.290  -9.895 -13.372
  181   1HE   LYS  23          2HE       LYS  23  -3.283 -11.960 -14.174
  182   2HE   LYS  23          1HE       LYS  23  -4.975 -12.448 -14.090
  183   1HZ   LYS  23          1HZ       LYS  23  -3.933 -10.124 -15.621
  184   2HZ   LYS  23          3HZ       LYS  23  -4.373 -11.621 -16.288
  185   3HZ   LYS  23          2HZ       LYS  23  -5.552 -10.637 -15.562
  186    H    GLU  24           H        GLU  24  -2.583  -6.297  -9.855
  187    HA   GLU  24           HA       GLU  24  -1.249  -4.630 -11.929
  188   1HB   GLU  24          2HB       GLU  24  -4.165  -4.530 -11.168
  189   2HB   GLU  24          1HB       GLU  24  -3.340  -3.081 -11.742
  190   1HG   GLU  24          2HG       GLU  24  -2.886  -4.028 -13.856
  191   2HG   GLU  24          1HG       GLU  24  -3.173  -5.669 -13.281
  192    HA   LEU  25           HA       LEU  25  -0.693  -2.574  -7.965
  193   1HB   LEU  25          2HB       LEU  25   1.297  -3.898  -7.745
  194   2HB   LEU  25          1HB       LEU  25   2.079  -3.063  -9.085
  195    HG   LEU  25           HG       LEU  25   1.196  -1.206  -7.005
  196   1HD1  LEU  25          1HD1      LEU  25   2.000  -3.561  -5.914
  197   2HD1  LEU  25          3HD1      LEU  25   3.548  -2.732  -6.075
  198   3HD1  LEU  25          2HD1      LEU  25   2.243  -1.990  -5.151
  199   1HD2  LEU  25          1HD2      LEU  25   3.214  -1.452  -8.972
  200   2HD2  LEU  25          3HD2      LEU  25   2.940  -0.087  -7.891
  201   3HD2  LEU  25          2HD2      LEU  25   4.053  -1.372  -7.424
  202    NH1  ARG  26           NH2      ARG  26  -4.052   0.059 -14.821
  203    NH2  ARG  26           NH1      ARG  26  -2.905   1.710 -15.874
  204    H    ARG  26           H        ARG  26  -1.615  -0.549  -8.352
  205    HA   ARG  26           HA       ARG  26   0.158   1.367  -9.776
  206   1HB   ARG  26          2HB       ARG  26  -2.606   0.695 -10.251
  207   2HB   ARG  26          1HB       ARG  26  -2.413   2.416  -9.948
  208   1HG   ARG  26          2HG       ARG  26  -0.757   2.604 -11.699
  209   2HG   ARG  26          1HG       ARG  26  -0.725   0.854 -11.916
  210   1HD   ARG  26          2HD       ARG  26  -3.414   1.460 -12.201
  211   2HD   ARG  26          1HD       ARG  26  -2.616   2.827 -12.978
  212    HE   ARG  26           HE       ARG  26  -1.380   0.424 -13.896
  213   1HH1  ARG  26          1HH2      ARG  26  -4.164  -0.555 -14.038
  214   2HH1  ARG  26          2HH2      ARG  26  -4.702   0.024 -15.580
  215   1HH2  ARG  26          2HH1      ARG  26  -2.141   2.357 -15.894
  216   2HH2  ARG  26          1HH1      ARG  26  -3.553   1.679 -16.634
  217    H    VAL  27           H        VAL  27   0.854   2.990  -8.455
  218    HA   VAL  27           HA       VAL  27  -0.602   3.491  -5.918
  219    HB   VAL  27           HB       VAL  27   1.476   4.681  -5.267
  220   1HG1  VAL  27          1HG1      VAL  27   1.126   2.167  -5.005
  221   2HG1  VAL  27          3HG1      VAL  27   2.160   1.975  -6.420
  222   3HG1  VAL  27          2HG1      VAL  27   2.798   2.721  -4.955
  223   1HG2  VAL  27          1HG2      VAL  27   2.040   5.293  -7.700
  224   2HG2  VAL  27          3HG2      VAL  27   3.388   4.782  -6.684
  225   3HG2  VAL  27          2HG2      VAL  27   2.679   3.656  -7.842
  226    H    ILE  28           H        ILE  28  -1.145   5.688  -5.287
  227    HA   ILE  28           HA       ILE  28  -1.398   7.544  -7.629
  228    HB   ILE  28           HB       ILE  28  -3.104   7.313  -5.125
  229   1HG1  ILE  28          2HG1      ILE  28  -3.698   6.783  -8.057
  230   2HG1  ILE  28          1HG1      ILE  28  -3.492   5.550  -6.814
  231   1HG2  ILE  28          2HG2      ILE  28  -3.261   9.227  -7.479
  232   2HG2  ILE  28          1HG2      ILE  28  -4.518   9.045  -6.254
  233   3HG2  ILE  28          3HG2      ILE  28  -2.927   9.656  -5.802
  234   1HD1  ILE  28          2HD1      ILE  28  -5.406   6.635  -5.557
  235   2HD1  ILE  28          1HD1      ILE  28  -5.681   7.637  -6.982
  236   3HD1  ILE  28          3HD1      ILE  28  -5.860   5.886  -7.088
  237    H    GLU  29           H        GLU  29  -0.673   9.670  -7.384
  238    HA   GLU  29           HA       GLU  29   1.314  10.152  -5.330
  239   1HB   GLU  29          2HB       GLU  29   0.124  11.799  -7.556
  240   2HB   GLU  29          1HB       GLU  29   1.211  12.526  -6.381
  241   1HG   GLU  29          2HG       GLU  29   3.040  11.306  -7.097
  242   2HG   GLU  29          1HG       GLU  29   2.050   9.957  -7.657
  243    H    SER  30           H        SER  30   1.155  12.484  -4.234
  244    HA   SER  30           HA       SER  30  -1.431  12.507  -2.753
  245   1HB   SER  30          2HB       SER  30   0.087  14.100  -1.253
  246   2HB   SER  30          1HB       SER  30   0.184  12.350  -1.108
  247    HG   SER  30           HG       SER  30   1.929  14.165  -2.364
  248    H    GLY  31           H        GLY  31  -2.227  14.700  -2.105
  249   1HA   GLY  31          2HA       GLY  31  -1.396  17.122  -3.345
  250   2HA   GLY  31          1HA       GLY  31  -2.627  16.389  -4.365
  251    HA   PRO  32           HA       PRO  32  -4.994  18.755  -1.224
  252   1HB   PRO  32          2HB       PRO  32  -6.890  19.610  -3.034
  253   2HB   PRO  32          1HB       PRO  32  -5.388  20.489  -2.701
  254   1HG   PRO  32          2HG       PRO  32  -6.093  18.796  -5.063
  255   2HG   PRO  32          1HG       PRO  32  -5.002  20.188  -4.966
  256   1HD   PRO  32          2HD       PRO  32  -4.184  17.504  -5.044
  257   2HD   PRO  32          1HD       PRO  32  -3.180  18.862  -4.497
  258    H    HIS  33           H        HIS  33  -6.011  16.620  -3.837
  259    HA   HIS  33           HA       HIS  33  -8.537  15.765  -2.855
  260   1HB   HIS  33          2HB       HIS  33  -8.162  13.757  -4.295
  261   2HB   HIS  33          1HB       HIS  33  -7.772  15.251  -5.144
  262    HD1  HIS  33           HD1      HIS  33  -5.165  15.834  -5.367
  263    HD2  HIS  33           HD2      HIS  33  -6.001  12.005  -3.959
  264    HE1  HIS  33           HE1      HIS  33  -2.974  14.574  -5.407
  265    H    CYS  34           H        CYS  34  -5.249  14.745  -2.083
  266    HA   CYS  34           HA       CYS  34  -6.091  13.538   0.398
  267   1HB   CYS  34          2HB       CYS  34  -6.277  11.809  -1.677
  268   2HB   CYS  34          1HB       CYS  34  -4.577  11.595  -1.269
  269    H    ALA  35           H        ALA  35  -4.576  14.617   1.594
  270    HA   ALA  35           HA       ALA  35  -2.020  15.450   0.664
  271   1HB   ALA  35          1HB       ALA  35  -3.096  15.021   3.455
  272   2HB   ALA  35          3HB       ALA  35  -1.500  15.704   3.141
  273   3HB   ALA  35          2HB       ALA  35  -2.946  16.544   2.580
  274    H    ASN  36           H        ASN  36  -2.938  12.545   2.515
  275    HA   ASN  36           HA       ASN  36  -0.164  11.616   2.637
  276   1HB   ASN  36          2HB       ASN  36  -2.826  10.559   3.536
  277   2HB   ASN  36          1HB       ASN  36  -1.463   9.451   3.413
  278   1HD2  ASN  36          2HD2      ASN  36  -1.437  12.359   6.304
  279   2HD2  ASN  36          1HD2      ASN  36  -2.551  12.455   5.028
  280    H    THR  37           H        THR  37   0.822  10.251   1.205
  281    HA   THR  37           HA       THR  37  -0.391   9.702  -1.361
  282    HB   THR  37           HB       THR  37   2.017   8.210  -0.317
  283    HG1  THR  37           HG1      THR  37   2.922  10.050   0.072
  284   1HG2  THR  37          2HG2      THR  37   0.756   8.681  -2.857
  285   2HG2  THR  37          1HG2      THR  37   2.379   9.366  -2.881
  286   3HG2  THR  37          3HG2      THR  37   2.147   7.662  -2.491
  287    H    GLU  38           H        GLU  38  -0.994   7.569  -2.221
  288    HA   GLU  38           HA       GLU  38  -1.375   5.440  -0.169
  289   1HB   GLU  38          2HB       GLU  38  -3.442   7.144  -1.018
  290   2HB   GLU  38          1HB       GLU  38  -3.694   5.641  -1.904
  291   1HG   GLU  38          2HG       GLU  38  -4.103   4.418   0.006
  292   2HG   GLU  38          1HG       GLU  38  -3.039   5.417   0.999
  293    H    ILE  39           H        ILE  39  -1.007   3.420  -0.981
  294    HA   ILE  39           HA       ILE  39  -0.391   3.185  -3.880
  295    HB   ILE  39           HB       ILE  39   0.095   1.453  -1.447
  296   1HG1  ILE  39          2HG1      ILE  39   2.378   1.722  -3.074
  297   2HG1  ILE  39          1HG1      ILE  39   1.611   3.310  -3.077
  298   1HG2  ILE  39          2HG2      ILE  39   0.434   0.673  -4.358
  299   2HG2  ILE  39          1HG2      ILE  39   1.175  -0.192  -3.013
  300   3HG2  ILE  39          3HG2      ILE  39  -0.580  -0.127  -3.160
  301   1HD1  ILE  39          2HD1      ILE  39   1.725   1.982  -0.436
  302   2HD1  ILE  39          1HD1      ILE  39   3.289   2.438  -1.113
  303   3HD1  ILE  39          3HD1      ILE  39   2.042   3.662  -0.868
  304    H    ILE  40           H        ILE  40  -1.390   1.297  -5.088
  305    HA   ILE  40           HA       ILE  40  -3.885   0.239  -3.900
  306    HB   ILE  40           HB       ILE  40  -3.927   1.732  -6.542
  307   1HG1  ILE  40          2HG1      ILE  40  -5.259   2.473  -3.918
  308   2HG1  ILE  40          1HG1      ILE  40  -3.738   3.175  -4.466
  309   1HG2  ILE  40          3HG2      ILE  40  -5.442  -0.327  -6.114
  310   2HG2  ILE  40          2HG2      ILE  40  -6.269   0.696  -4.941
  311   3HG2  ILE  40          1HG2      ILE  40  -6.223   1.164  -6.640
  312   1HD1  ILE  40          3HD1      ILE  40  -4.873   3.939  -6.546
  313   2HD1  ILE  40          2HD1      ILE  40  -6.397   3.311  -5.919
  314   3HD1  ILE  40          1HD1      ILE  40  -5.587   4.644  -5.096
  315    H    VAL  41           H        VAL  41  -3.175  -1.856  -4.083
  316    HA   VAL  41           HA       VAL  41  -2.241  -2.805  -6.727
  317    HB   VAL  41           HB       VAL  41  -1.586  -4.847  -5.509
  318   1HG1  VAL  41          3HG1      VAL  41  -0.640  -2.230  -4.335
  319   2HG1  VAL  41          2HG1      VAL  41   0.157  -3.776  -4.038
  320   3HG1  VAL  41          1HG1      VAL  41   0.080  -3.124  -5.674
  321   1HG2  VAL  41          2HG2      VAL  41  -3.241  -3.622  -3.426
  322   2HG2  VAL  41          1HG2      VAL  41  -2.777  -5.306  -3.641
  323   3HG2  VAL  41          3HG2      VAL  41  -1.682  -4.189  -2.830
  324    H    LYS  42           H        LYS  42  -3.084  -5.053  -7.313
  325    HA   LYS  42           HA       LYS  42  -5.940  -5.396  -6.537
  326   1HB   LYS  42          2HB       LYS  42  -5.153  -4.396  -8.991
  327   2HB   LYS  42          1HB       LYS  42  -5.313  -6.121  -9.322
  328   1HG   LYS  42          2HG       LYS  42  -7.585  -6.142  -8.518
  329   2HG   LYS  42          1HG       LYS  42  -7.443  -4.489  -7.917
  330   1HD   LYS  42          2HD       LYS  42  -7.758  -3.577  -9.978
  331   2HD   LYS  42          1HD       LYS  42  -6.789  -4.814 -10.779
  332   1HE   LYS  42          2HE       LYS  42  -8.869  -5.407 -11.581
  333   2HE   LYS  42          1HE       LYS  42  -8.863  -6.354 -10.094
  334   1HZ   LYS  42          3HZ       LYS  42  -9.990  -4.495  -8.986
  335   2HZ   LYS  42          2HZ       LYS  42 -10.060  -3.660 -10.465
  336   3HZ   LYS  42          1HZ       LYS  42 -10.904  -5.122 -10.270
  337    H    LEU  43           H        LEU  43  -5.546  -7.218  -5.279
  338    HA   LEU  43           HA       LEU  43  -3.709  -9.285  -5.736
  339   1HB   LEU  43          2HB       LEU  43  -6.340  -9.140  -4.320
  340   2HB   LEU  43          1HB       LEU  43  -5.540 -10.691  -4.484
  341    HG   LEU  43           HG       LEU  43  -4.100  -8.249  -3.431
  342   1HD1  LEU  43          2HD1      LEU  43  -6.178  -8.913  -2.071
  343   2HD1  LEU  43          1HD1      LEU  43  -5.320 -10.412  -1.706
  344   3HD1  LEU  43          3HD1      LEU  43  -4.645  -8.862  -1.200
  345   1HD2  LEU  43          2HD2      LEU  43  -3.610 -11.241  -3.254
  346   2HD2  LEU  43          1HD2      LEU  43  -2.666 -10.073  -4.181
  347   3HD2  LEU  43          3HD2      LEU  43  -2.646 -10.023  -2.419
  348    H    SER  44           H        SER  44  -3.834 -11.293  -6.726
  349    HA   SER  44           HA       SER  44  -5.069 -11.491  -9.247
  350   1HB   SER  44          2HB       SER  44  -4.476 -13.937  -9.090
  351   2HB   SER  44          1HB       SER  44  -3.140 -12.839  -8.757
  352    HG   SER  44           HG       SER  44  -3.111 -13.498  -6.749
  353    H    ASP  45           H        ASP  45  -6.422 -12.179  -6.108
  354    HA   ASP  45           HA       ASP  45  -8.520 -13.905  -7.146
  355   1HB   ASP  45          2HB       ASP  45  -8.124 -12.618  -4.436
  356   2HB   ASP  45          1HB       ASP  45  -9.417 -13.754  -4.815
  357    H    GLY  46           H        GLY  46  -8.199 -10.986  -8.095
  358   1HA   GLY  46          2HA       GLY  46  -9.679  -9.318  -8.799
  359   2HA   GLY  46          1HA       GLY  46 -10.997 -10.361  -8.271
  360    NH1  ARG  47           NH1      ARG  47 -10.394  -7.906   1.106
  361    NH2  ARG  47           NH2      ARG  47 -12.088  -6.813   0.066
  362    H    ARG  47           H        ARG  47  -8.372  -9.247  -6.160
  363    HA   ARG  47           HA       ARG  47 -10.444  -7.796  -4.562
  364   1HB   ARG  47          2HB       ARG  47  -9.054  -9.802  -3.633
  365   2HB   ARG  47          1HB       ARG  47  -7.743  -8.632  -3.535
  366   1HG   ARG  47          2HG       ARG  47  -8.914  -8.705  -1.397
  367   2HG   ARG  47          1HG       ARG  47  -9.218  -7.150  -2.167
  368   1HD   ARG  47          2HD       ARG  47 -11.433  -7.615  -2.541
  369   2HD   ARG  47          1HD       ARG  47 -11.134  -9.332  -2.805
  370    HE   ARG  47           HE       ARG  47 -11.623  -9.670  -0.532
  371   1HH1  ARG  47          2HH1      ARG  47  -9.767  -8.684   1.156
  372   2HH1  ARG  47          1HH1      ARG  47 -10.354  -7.187   1.801
  373   1HH2  ARG  47          1HH2      ARG  47 -12.755  -6.756  -0.677
  374   2HH2  ARG  47          2HH2      ARG  47 -12.051  -6.092   0.759
  375    H    GLU  48           H        GLU  48  -9.719  -5.798  -3.487
  376    HA   GLU  48           HA       GLU  48  -7.446  -4.431  -4.871
  377   1HB   GLU  48          2HB       GLU  48  -9.916  -3.766  -5.557
  378   2HB   GLU  48          1HB       GLU  48  -9.885  -2.887  -4.027
  379   1HG   GLU  48          2HG       GLU  48  -8.125  -1.489  -4.718
  380   2HG   GLU  48          1HG       GLU  48  -7.619  -2.598  -5.992
  381    H    LEU  49           H        LEU  49  -5.971  -3.870  -3.360
  382    HA   LEU  49           HA       LEU  49  -6.960  -3.112  -0.633
  383   1HB   LEU  49          2HB       LEU  49  -5.120  -5.258  -1.416
  384   2HB   LEU  49          1HB       LEU  49  -4.425  -4.148  -0.235
  385    HG   LEU  49           HG       LEU  49  -6.754  -4.452   0.972
  386   1HD1  LEU  49          1HD1      LEU  49  -6.504  -6.897  -0.798
  387   2HD1  LEU  49          3HD1      LEU  49  -7.486  -6.869   0.666
  388   3HD1  LEU  49          2HD1      LEU  49  -7.875  -5.794  -0.677
  389   1HD2  LEU  49          2HD2      LEU  49  -4.329  -6.219   0.930
  390   2HD2  LEU  49          1HD2      LEU  49  -4.892  -5.126   2.193
  391   3HD2  LEU  49          3HD2      LEU  49  -5.694  -6.677   1.948
  392    H    CYS  50           H        CYS  50  -6.310  -1.042  -0.204
  393    HA   CYS  50           HA       CYS  50  -4.142   0.164  -1.756
  394   1HB   CYS  50          2HB       CYS  50  -5.389   1.432   0.617
  395   2HB   CYS  50          1HB       CYS  50  -4.733   2.199  -0.803
  396    H    LEU  51           H        LEU  51  -2.080   0.583  -0.919
  397    HA   LEU  51           HA       LEU  51  -1.489  -0.831   1.596
  398   1HB   LEU  51          2HB       LEU  51   0.244  -0.092  -0.735
  399   2HB   LEU  51          1HB       LEU  51   0.880  -0.734   0.758
  400    HG   LEU  51           HG       LEU  51  -0.907  -2.619   0.413
  401   1HD1  LEU  51          2HD1      LEU  51  -1.466  -1.090  -1.821
  402   2HD1  LEU  51          1HD1      LEU  51  -0.469  -2.392  -2.463
  403   3HD1  LEU  51          3HD1      LEU  51  -1.943  -2.769  -1.576
  404   1HD2  LEU  51          3HD2      LEU  51   1.794  -2.429  -0.039
  405   2HD2  LEU  51          2HD2      LEU  51   0.863  -3.918  -0.179
  406   3HD2  LEU  51          1HD2      LEU  51   1.208  -2.957  -1.617
  407    H    ASP  52           H        ASP  52   0.107  -0.010   2.980
  408    HA   ASP  52           HA       ASP  52  -0.090   2.932   3.333
  409   1HB   ASP  52          2HB       ASP  52  -0.878   1.566   5.200
  410   2HB   ASP  52          1HB       ASP  52   0.646   0.685   5.236
  411    HA   PRO  53           HA       PRO  53   4.171   2.892   1.908
  412   1HB   PRO  53          2HB       PRO  53   4.377   5.639   1.813
  413   2HB   PRO  53          1HB       PRO  53   3.667   4.650   0.526
  414   1HG   PRO  53          2HG       PRO  53   2.290   6.333   2.583
  415   2HG   PRO  53          1HG       PRO  53   1.785   5.943   0.929
  416   1HD   PRO  53          2HD       PRO  53   0.757   4.732   3.229
  417   2HD   PRO  53          1HD       PRO  53   0.672   4.040   1.594
  418    H    LYS  54           H        LYS  54   2.844   4.075   4.865
  419    HA   LYS  54           HA       LYS  54   5.123   5.288   6.037
  420   1HB   LYS  54          2HB       LYS  54   2.525   4.709   6.852
  421   2HB   LYS  54          1HB       LYS  54   3.532   3.752   7.935
  422   1HG   LYS  54          2HG       LYS  54   4.882   5.793   8.428
  423   2HG   LYS  54          1HG       LYS  54   3.775   6.733   7.427
  424   1HD   LYS  54          2HD       LYS  54   2.890   7.047   9.575
  425   2HD   LYS  54          1HD       LYS  54   1.919   5.709   8.961
  426   1HE   LYS  54          2HE       LYS  54   3.107   4.107  10.224
  427   2HE   LYS  54          1HE       LYS  54   4.467   5.198  10.493
  428   1HZ   LYS  54          2HZ       LYS  54   1.732   5.555  11.599
  429   2HZ   LYS  54          1HZ       LYS  54   3.075   4.977  12.464
  430   3HZ   LYS  54          3HZ       LYS  54   3.065   6.572  11.883
  431    H    GLU  55           H        GLU  55   4.263   1.896   5.540
  432    HA   GLU  55           HA       GLU  55   6.348   0.930   7.362
  433   1HB   GLU  55          2HB       GLU  55   4.448  -0.384   5.428
  434   2HB   GLU  55          1HB       GLU  55   5.771  -1.284   6.138
  435   1HG   GLU  55          2HG       GLU  55   4.542   0.130   8.250
  436   2HG   GLU  55          1HG       GLU  55   3.245  -0.612   7.322
  437    H    ASN  56           H        ASN  56   7.958  -0.663   6.388
  438    HA   ASN  56           HA       ASN  56   9.259   0.620   4.049
  439   1HB   ASN  56          2HB       ASN  56  10.200  -0.588   6.456
  440   2HB   ASN  56          1HB       ASN  56  10.868  -1.448   5.076
  441   1HD2  ASN  56          2HD2      ASN  56  13.017   1.200   4.144
  442   2HD2  ASN  56          1HD2      ASN  56  12.478  -0.376   3.817
  443    CH2  TRP  57           CH2      TRP  57   1.705  -4.328   2.311
  444    H    TRP  57           H        TRP  57   7.423  -2.152   4.896
  445    HA   TRP  57           HA       TRP  57   8.493  -3.875   2.845
  446   1HB   TRP  57          2HB       TRP  57   6.887  -5.457   3.562
  447   2HB   TRP  57          1HB       TRP  57   7.390  -4.628   5.007
  448    HD1  TRP  57           HD1      TRP  57   5.607  -3.436   6.355
  449    HE1  TRP  57           HE1      TRP  57   3.068  -3.174   6.138
  450    HE3  TRP  57           HE3      TRP  57   4.947  -5.089   1.595
  451    HZ2  TRP  57           HZ2      TRP  57   1.010  -3.544   4.196
  452    HZ3  TRP  57           HZ3      TRP  57   2.702  -5.094   0.572
  453    HH2  TRP  57           HH2      TRP  57   0.725  -4.341   1.854
  454    H    VAL  58           H        VAL  58   5.721  -1.700   3.166
  455    HA   VAL  58           HA       VAL  58   4.446  -2.447   0.695
  456    HB   VAL  58           HB       VAL  58   4.381  -0.024   2.467
  457   1HG1  VAL  58          3HG1      VAL  58   3.247  -0.247  -0.315
  458   2HG1  VAL  58          2HG1      VAL  58   2.501   0.794   0.898
  459   3HG1  VAL  58          1HG1      VAL  58   4.164   1.084   0.391
  460   1HG2  VAL  58          3HG2      VAL  58   2.523  -2.225   1.665
  461   2HG2  VAL  58          2HG2      VAL  58   2.969  -1.678   3.279
  462   3HG2  VAL  58          1HG2      VAL  58   1.869  -0.715   2.296
  463    H    GLN  59           H        GLN  59   6.904   0.016   1.483
  464    HA   GLN  59           HA       GLN  59   7.110   0.933  -1.254
  465   1HB   GLN  59          2HB       GLN  59   8.976   2.266  -0.454
  466   2HB   GLN  59          1HB       GLN  59   7.635   2.384   0.681
  467   1HG   GLN  59          2HG       GLN  59   8.666   0.583   2.031
  468   2HG   GLN  59          1HG       GLN  59  10.037   0.574   0.930
  469   1HE2  GLN  59          2HE2      GLN  59  11.614   3.231   2.617
  470   2HE2  GLN  59          1HE2      GLN  59  11.757   1.877   1.601
  471    NH1  ARG  60           NH1      ARG  60  14.088  -3.543  -2.559
  472    NH2  ARG  60           NH2      ARG  60  15.476  -1.945  -1.745
  473    H    ARG  60           H        ARG  60   8.647  -1.589   0.633
  474    HA   ARG  60           HA       ARG  60  10.826  -1.965  -1.300
  475   1HB   ARG  60          2HB       ARG  60   9.923  -3.344   1.215
  476   2HB   ARG  60          1HB       ARG  60  11.018  -4.178   0.118
  477   1HG   ARG  60          2HG       ARG  60  11.700  -1.359   0.790
  478   2HG   ARG  60          1HG       ARG  60  11.904  -2.552   2.073
  479   1HD   ARG  60          2HD       ARG  60  13.977  -2.687   1.034
  480   2HD   ARG  60          1HD       ARG  60  13.096  -3.943   0.166
  481    HE   ARG  60           HE       ARG  60  12.825  -1.374  -1.146
  482   1HH1  ARG  60          2HH1      ARG  60  13.199  -4.003  -2.554
  483   2HH1  ARG  60          1HH1      ARG  60  14.803  -3.847  -3.188
  484   1HH2  ARG  60          1HH2      ARG  60  15.648  -1.184  -1.118
  485   2HH2  ARG  60          2HH2      ARG  60  16.194  -2.245  -2.373
  486    H    VAL  61           H        VAL  61   7.709  -3.432  -0.467
  487    HA   VAL  61           HA       VAL  61   7.859  -5.652  -2.274
  488    HB   VAL  61           HB       VAL  61   5.595  -4.140  -0.966
  489   1HG1  VAL  61          1HG1      VAL  61   5.353  -6.519  -2.822
  490   2HG1  VAL  61          3HG1      VAL  61   4.047  -5.852  -1.844
  491   3HG1  VAL  61          2HG1      VAL  61   4.751  -4.894  -3.147
  492   1HG2  VAL  61          2HG2      VAL  61   6.972  -5.671   0.402
  493   2HG2  VAL  61          1HG2      VAL  61   5.326  -6.279   0.233
  494   3HG2  VAL  61          3HG2      VAL  61   6.629  -6.983  -0.724
  495    H    VAL  62           H        VAL  62   6.678  -2.314  -2.641
  496    HA   VAL  62           HA       VAL  62   5.728  -2.629  -5.348
  497    HB   VAL  62           HB       VAL  62   6.639  -0.191  -3.784
  498   1HG1  VAL  62          3HG1      VAL  62   5.525  -0.448  -6.582
  499   2HG1  VAL  62          2HG1      VAL  62   5.336   1.032  -5.642
  500   3HG1  VAL  62          1HG1      VAL  62   6.949   0.446  -6.050
  501   1HG2  VAL  62          3HG2      VAL  62   4.439  -1.642  -3.343
  502   2HG2  VAL  62          2HG2      VAL  62   4.410   0.118  -3.244
  503   3HG2  VAL  62          1HG2      VAL  62   3.834  -0.692  -4.701
  504    H    GLU  63           H        GLU  63   8.845  -1.596  -3.944
  505    HA   GLU  63           HA       GLU  63  10.144  -0.968  -6.388
  506   1HB   GLU  63          2HB       GLU  63  10.876  -0.680  -3.835
  507   2HB   GLU  63          1HB       GLU  63  11.723  -2.191  -4.167
  508   1HG   GLU  63          2HG       GLU  63  12.462  -0.891  -6.366
  509   2HG   GLU  63          1HG       GLU  63  12.145   0.521  -5.358
  510    H    LYS  64           H        LYS  64  10.044  -4.020  -4.522
  511    HA   LYS  64           HA       LYS  64  11.648  -5.525  -6.331
  512   1HB   LYS  64          2HB       LYS  64  10.845  -6.096  -3.911
  513   2HB   LYS  64          1HB       LYS  64   9.429  -6.764  -4.724
  514   1HG   LYS  64          2HG       LYS  64  11.343  -7.885  -6.245
  515   2HG   LYS  64          1HG       LYS  64  12.252  -7.717  -4.743
  516   1HD   LYS  64          2HD       LYS  64  10.851  -9.154  -3.570
  517   2HD   LYS  64          1HD       LYS  64   9.476  -8.847  -4.633
  518   1HE   LYS  64          2HE       LYS  64  10.460 -10.163  -6.403
  519   2HE   LYS  64          1HE       LYS  64  11.975 -10.317  -5.513
  520   1HZ   LYS  64          1HZ       LYS  64   9.346 -11.392  -4.641
  521   2HZ   LYS  64          3HZ       LYS  64  10.609 -12.304  -5.312
  522   3HZ   LYS  64          2HZ       LYS  64  10.816 -11.554  -3.801
  523    H    PHE  65           H        PHE  65   8.229  -4.691  -6.296
  524    HA   PHE  65           HA       PHE  65   7.323  -6.598  -8.240
  525   1HB   PHE  65          2HB       PHE  65   6.004  -5.011  -6.616
  526   2HB   PHE  65          1HB       PHE  65   6.129  -3.858  -7.933
  527    HD1  PHE  65           HD2      PHE  65   5.395  -7.540  -7.581
  528    HD2  PHE  65           HD1      PHE  65   4.285  -3.781  -9.343
  529    HE1  PHE  65           HE2      PHE  65   3.497  -8.639  -8.737
  530    HE2  PHE  65           HE1      PHE  65   2.388  -4.882 -10.497
  531    HZ   PHE  65           HZ       PHE  65   1.994  -7.311 -10.194
  532    H    LEU  66           H        LEU  66   8.453  -3.209  -8.525
  533    HA   LEU  66           HA       LEU  66   8.318  -3.417 -11.480
  534   1HB   LEU  66          2HB       LEU  66   8.941  -1.133  -9.590
  535   2HB   LEU  66          1HB       LEU  66   9.108  -0.995 -11.339
  536    HG   LEU  66           HG       LEU  66   6.600  -2.101 -11.099
  537   1HD1  LEU  66          1HD1      LEU  66   7.177  -0.357  -8.708
  538   2HD1  LEU  66          3HD1      LEU  66   5.551  -0.445  -9.386
  539   3HD1  LEU  66          2HD1      LEU  66   6.328  -1.902  -8.769
  540   1HD2  LEU  66          2HD2      LEU  66   7.346  -0.173 -12.514
  541   2HD2  LEU  66          1HD2      LEU  66   5.794   0.116 -11.727
  542   3HD2  LEU  66          3HD2      LEU  66   7.259   0.863 -11.089
  543    H    LYS  67           H        LYS  67  10.824  -2.014  -9.344
  544    HA   LYS  67           HA       LYS  67  12.902  -3.854 -10.001
  545   1HB   LYS  67          2HB       LYS  67  12.360  -2.566 -12.265
  546   2HB   LYS  67          1HB       LYS  67  13.358  -1.313 -11.531
  547   1HG   LYS  67          2HG       LYS  67  15.004  -2.543 -12.591
  548   2HG   LYS  67          1HG       LYS  67  14.968  -3.375 -11.037
  549   1HD   LYS  67          2HD       LYS  67  14.845  -5.138 -12.594
  550   2HD   LYS  67          1HD       LYS  67  13.161  -4.889 -12.131
  551   1HE   LYS  67          2HE       LYS  67  12.604  -3.904 -14.159
  552   2HE   LYS  67          1HE       LYS  67  14.248  -3.335 -14.452
  553   1HZ   LYS  67          3HZ       LYS  67  13.359  -6.168 -14.568
  554   2HZ   LYS  67          2HZ       LYS  67  13.660  -5.172 -15.911
  555   3HZ   LYS  67          1HZ       LYS  67  14.932  -5.607 -14.872
  556    NH1  ARG  68           NH1      ARG  68  19.540  -1.236 -11.203
  557    NH2  ARG  68           NH2      ARG  68  20.235   0.909 -10.979
  558    H    ARG  68           H        ARG  68  12.879  -0.260  -9.962
  559    HA   ARG  68           HA       ARG  68  14.216  -0.352  -7.298
  560   1HB   ARG  68          2HB       ARG  68  15.168   1.150  -9.751
  561   2HB   ARG  68          1HB       ARG  68  15.737   1.503  -8.121
  562   1HG   ARG  68          2HG       ARG  68  16.281  -1.029  -7.984
  563   2HG   ARG  68          1HG       ARG  68  16.129  -1.013  -9.741
  564   1HD   ARG  68          2HD       ARG  68  17.823   1.102  -8.478
  565   2HD   ARG  68          1HD       ARG  68  18.469  -0.538  -8.540
  566    HE   ARG  68           HE       ARG  68  17.452   0.722 -11.043
  567   1HH1  ARG  68          2HH1      ARG  68  18.823  -1.928 -11.120
  568   2HH1  ARG  68          1HH1      ARG  68  20.446  -1.496 -11.541
  569   1HH2  ARG  68          1HH2      ARG  68  20.048   1.859 -10.724
  570   2HH2  ARG  68          2HH2      ARG  68  21.142   0.653 -11.317
  571    H    ALA  69           H        ALA  69  14.332   2.041  -6.428
  572    HA   ALA  69           HA       ALA  69  12.249   3.845  -7.411
  573   1HB   ALA  69          3HB       ALA  69  10.989   2.070  -6.106
  574   2HB   ALA  69          2HB       ALA  69  11.852   2.620  -4.670
  575   3HB   ALA  69          1HB       ALA  69  10.767   3.719  -5.521
  576    H    GLU  70           H        GLU  70  12.493   5.927  -6.567
  577    HA   GLU  70           HA       GLU  70  14.817   6.301  -4.720
  578   1HB   GLU  70          2HB       GLU  70  13.752   7.872  -7.041
  579   2HB   GLU  70          1HB       GLU  70  14.562   8.743  -5.739
  580   1HG   GLU  70          2HG       GLU  70  15.810   6.305  -7.009
  581   2HG   GLU  70          1HG       GLU  70  16.028   7.914  -7.697
  582    H    ASN  71           H        ASN  71  11.728   7.910  -5.598
  583    HA   ASN  71           HA       ASN  71  10.100   8.932  -4.269
  584   1HB   ASN  71          2HB       ASN  71  11.396   7.519  -1.919
  585   2HB   ASN  71          1HB       ASN  71   9.743   8.120  -2.026
  586   1HD2  ASN  71          2HD2      ASN  71   8.629   5.393  -4.097
  587   2HD2  ASN  71          1HD2      ASN  71   8.329   7.025  -3.740
  588    H    SER  72           H        SER  72   9.917  10.458  -2.260
  589    HA   SER  72           HA       SER  72  12.485  11.971  -1.966
  590   1HB   SER  72          2HB       SER  72   9.682  12.977  -2.465
  591   2HB   SER  72          1HB       SER  72  10.917  14.013  -1.756
  592    HG   SER  72           HG       SER  72  11.653  14.266  -3.697
  593   1HC   CH3  25          1H        LEU  25   1.177  -2.483 -11.061
  594   2HC   CH3  25          2H        LEU  25   0.132  -3.575 -11.965
  595   3HC   CH3  25          3H        LEU  25  -0.439  -1.962 -11.541
   
  Start of MODEL          12
 Raw file had  595 H/Q atoms
  Start of MODEL   12
    1   1H    GLU   4          2H        GLU   4  -9.329  14.750 -10.727
    2   2H    GLU   4          1H        GLU   4 -10.284  16.104 -10.349
    3   3H    GLU   4          3H        GLU   4  -8.679  16.314 -10.858
    4    HA   GLU   4           HA       GLU   4  -7.844  15.272  -8.870
    5   1HB   GLU   4          2HB       GLU   4  -9.649  17.631  -8.785
    6   2HB   GLU   4          1HB       GLU   4  -9.220  16.935  -7.223
    7   1HG   GLU   4          2HG       GLU   4  -6.782  16.958  -8.141
    8   2HG   GLU   4          1HG       GLU   4  -7.407  18.107  -9.326
    9    H    LEU   5           H        LEU   5  -8.229  13.976  -7.048
   10    HA   LEU   5           HA       LEU   5 -10.977  13.392  -6.187
   11   1HB   LEU   5          2HB       LEU   5 -10.685  10.916  -6.540
   12   2HB   LEU   5          1HB       LEU   5 -10.834  11.834  -8.037
   13    HG   LEU   5           HG       LEU   5  -8.075  11.811  -7.411
   14   1HD1  LEU   5          3HD1      LEU   5  -9.397   9.104  -7.064
   15   2HD1  LEU   5          2HD1      LEU   5  -7.673   9.326  -7.366
   16   3HD1  LEU   5          1HD1      LEU   5  -8.397   9.956  -5.887
   17   1HD2  LEU   5          2HD2      LEU   5  -9.266  11.757  -9.651
   18   2HD2  LEU   5          1HD2      LEU   5  -7.897  10.654  -9.520
   19   3HD2  LEU   5          3HD2      LEU   5  -9.542  10.035  -9.383
   20    NH1  ARG   6           NH1      ARG   6 -13.548  12.337  -0.039
   21    NH2  ARG   6           NH2      ARG   6 -14.892  13.455  -1.483
   22    H    ARG   6           H        ARG   6 -10.978  12.869  -4.023
   23    HA   ARG   6           HA       ARG   6  -8.538  13.041  -2.513
   24   1HB   ARG   6          2HB       ARG   6 -11.356  12.208  -1.802
   25   2HB   ARG   6          1HB       ARG   6 -10.057  12.234  -0.617
   26   1HG   ARG   6          2HG       ARG   6 -10.496  14.424  -0.312
   27   2HG   ARG   6          1HG       ARG   6  -9.848  14.698  -1.929
   28   1HD   ARG   6          2HD       ARG   6 -11.970  15.618  -2.156
   29   2HD   ARG   6          1HD       ARG   6 -12.274  13.963  -2.685
   30    HE   ARG   6           HE       ARG   6 -13.005  15.060  -0.008
   31   1HH1  ARG   6          2HH1      ARG   6 -12.717  12.298   0.517
   32   2HH1  ARG   6          1HH1      ARG   6 -14.181  11.562  -0.046
   33   1HH2  ARG   6          1HH2      ARG   6 -15.088  14.270  -2.030
   34   2HH2  ARG   6          2HH2      ARG   6 -15.527  12.682  -1.493
   35    H    CYS   7           H        CYS   7  -8.135  11.178  -0.778
   36    HA   CYS   7           HA       CYS   7  -7.226   8.877  -2.239
   37   1HB   CYS   7          2HB       CYS   7  -7.354   9.634   0.658
   38   2HB   CYS   7          1HB       CYS   7  -7.004   7.964   0.225
   39    H    GLN   8           H        GLN   8  -8.391   7.133  -2.858
   40    HA   GLN   8           HA       GLN   8 -11.154   6.792  -2.103
   41   1HB   GLN   8          2HB       GLN   8 -11.039   4.757  -3.468
   42   2HB   GLN   8          1HB       GLN   8 -10.272   6.097  -4.307
   43   1HG   GLN   8          2HG       GLN   8  -8.276   5.043  -4.340
   44   2HG   GLN   8          1HG       GLN   8  -8.372   4.665  -2.620
   45   1HE2  GLN   8          2HE2      GLN   8  -9.558   1.871  -5.368
   46   2HE2  GLN   8          1HE2      GLN   8  -9.246   3.465  -5.862
   47    H    CYS   9           H        CYS   9  -8.229   5.879  -0.547
   48    HA   CYS   9           HA       CYS   9  -9.733   3.858   1.070
   49   1HB   CYS   9          2HB       CYS   9  -7.054   3.758  -0.144
   50   2HB   CYS   9          1HB       CYS   9  -7.083   3.301   1.555
   51    H    ILE  10           H        ILE  10 -10.359   5.036   2.840
   52    HA   ILE  10           HA       ILE  10  -8.753   7.127   4.042
   53    HB   ILE  10           HB       ILE  10 -11.052   5.491   5.180
   54   1HG1  ILE  10          2HG1      ILE  10 -11.719   6.823   3.235
   55   2HG1  ILE  10          1HG1      ILE  10 -12.371   7.556   4.699
   56   1HG2  ILE  10          2HG2      ILE  10  -9.554   7.896   6.226
   57   2HG2  ILE  10          1HG2      ILE  10 -11.210   7.551   6.726
   58   3HG2  ILE  10          3HG2      ILE  10  -9.927   6.388   7.061
   59   1HD1  ILE  10          1HD1      ILE  10 -10.298   9.054   4.709
   60   2HD1  ILE  10          3HD1      ILE  10  -9.985   8.465   3.076
   61   3HD1  ILE  10          2HD1      ILE  10 -11.464   9.359   3.421
   62    H    LYS  11           H        LYS  11  -9.090   3.658   4.478
   63    HA   LYS  11           HA       LYS  11  -6.893   3.712   6.509
   64   1HB   LYS  11          2HB       LYS  11  -7.749   1.494   7.253
   65   2HB   LYS  11          1HB       LYS  11  -8.962   2.758   7.442
   66   1HG   LYS  11          2HG       LYS  11  -9.975   2.075   5.271
   67   2HG   LYS  11          1HG       LYS  11  -8.796   0.768   5.156
   68   1HD   LYS  11          2HD       LYS  11  -9.742  -0.424   6.922
   69   2HD   LYS  11          1HD       LYS  11 -10.477   1.014   7.632
   70   1HE   LYS  11          2HE       LYS  11 -11.351   0.046   4.918
   71   2HE   LYS  11          1HE       LYS  11 -12.014  -0.683   6.379
   72   1HZ   LYS  11          2HZ       LYS  11 -12.544   1.641   7.115
   73   2HZ   LYS  11          1HZ       LYS  11 -12.159   2.157   5.542
   74   3HZ   LYS  11          3HZ       LYS  11 -13.445   1.079   5.789
   75    H    THR  12           H        THR  12  -5.148   2.214   6.130
   76    HA   THR  12           HA       THR  12  -5.166   1.066   3.369
   77    HB   THR  12           HB       THR  12  -2.510   1.295   3.988
   78    HG1  THR  12           HG1      THR  12  -2.862   2.526   5.806
   79   1HG2  THR  12          3HG2      THR  12  -4.373   3.204   2.574
   80   2HG2  THR  12          2HG2      THR  12  -2.614   3.281   2.463
   81   3HG2  THR  12          1HG2      THR  12  -3.474   1.863   1.866
   82    OH   TYR  13           OH       TYR  13  -3.058  -8.659   4.309
   83    H    TYR  13           H        TYR  13  -3.084  -0.520   3.295
   84    HA   TYR  13           HA       TYR  13  -3.835  -2.721   5.096
   85   1HB   TYR  13          2HB       TYR  13  -3.436  -2.819   2.512
   86   2HB   TYR  13          1HB       TYR  13  -1.733  -2.853   2.949
   87    HD1  TYR  13           HD2      TYR  13  -4.297  -4.343   5.124
   88    HD2  TYR  13           HD1      TYR  13  -1.388  -5.059   2.050
   89    HE1  TYR  13           HE2      TYR  13  -4.430  -6.784   5.575
   90    HE2  TYR  13           HE1      TYR  13  -1.521  -7.505   2.494
   91    HH   TYR  13           HH       TYR  13  -3.865  -8.990   3.908
   92    H    SER  14           H        SER  14  -2.667  -3.212   6.877
   93    HA   SER  14           HA       SER  14   0.037  -2.000   7.193
   94   1HB   SER  14          2HB       SER  14  -1.888  -3.193   9.207
   95   2HB   SER  14          1HB       SER  14  -0.262  -2.645   9.610
   96    HG   SER  14           HG       SER  14  -2.543  -1.215   9.163
   97    H    LYS  15           H        LYS  15  -1.664  -5.089   7.066
   98    HA   LYS  15           HA       LYS  15   0.661  -6.650   7.862
   99   1HB   LYS  15          2HB       LYS  15  -1.363  -8.011   6.215
  100   2HB   LYS  15          1HB       LYS  15  -0.695  -8.470   7.763
  101   1HG   LYS  15          2HG       LYS  15  -2.118  -6.611   8.789
  102   2HG   LYS  15          1HG       LYS  15  -2.947  -6.527   7.234
  103   1HD   LYS  15          2HD       LYS  15  -4.297  -8.074   8.287
  104   2HD   LYS  15          1HD       LYS  15  -3.103  -9.168   7.591
  105   1HE   LYS  15          2HE       LYS  15  -2.929  -9.920   9.740
  106   2HE   LYS  15          1HE       LYS  15  -1.865  -8.527   9.925
  107   1HZ   LYS  15          2HZ       LYS  15  -3.789  -7.222  10.638
  108   2HZ   LYS  15          1HZ       LYS  15  -4.776  -8.599  10.513
  109   3HZ   LYS  15          3HZ       LYS  15  -3.525  -8.555  11.657
  110    HA   PRO  16           HA       PRO  16   2.524  -6.508   3.864
  111   1HB   PRO  16          2HB       PRO  16   4.552  -8.251   4.430
  112   2HB   PRO  16          1HB       PRO  16   4.512  -6.587   4.998
  113   1HG   PRO  16          2HG       PRO  16   4.092  -9.086   6.540
  114   2HG   PRO  16          1HG       PRO  16   4.566  -7.481   7.119
  115   1HD   PRO  16          2HD       PRO  16   1.950  -8.662   7.237
  116   2HD   PRO  16          1HD       PRO  16   2.399  -7.012   7.706
  117    H    PHE  17           H        PHE  17   2.958  -7.926   2.027
  118    HA   PHE  17           HA       PHE  17   2.264 -10.756   2.177
  119   1HB   PHE  17          2HB       PHE  17   0.281 -10.752   0.845
  120   2HB   PHE  17          1HB       PHE  17   0.020  -9.569   2.118
  121    HD1  PHE  17           HD1      PHE  17   0.732  -7.076   1.499
  122    HD2  PHE  17           HD2      PHE  17  -0.160 -10.157  -1.360
  123    HE1  PHE  17           HE1      PHE  17   0.266  -5.351  -0.221
  124    HE2  PHE  17           HE2      PHE  17  -0.622  -8.429  -3.077
  125    HZ   PHE  17           HZ       PHE  17  -0.410  -6.028  -2.505
  126    H    HIS  18           H        HIS  18   2.621 -11.871   0.112
  127    HA   HIS  18           HA       HIS  18   4.911 -10.873  -1.285
  128   1HB   HIS  18          2HB       HIS  18   4.712 -13.206  -1.063
  129   2HB   HIS  18          1HB       HIS  18   3.069 -13.204  -1.684
  130    HD1  HIS  18           HD1      HIS  18   6.647 -13.126  -2.793
  131    HD2  HIS  18           HD2      HIS  18   2.858 -12.903  -4.443
  132    HE1  HIS  18           HE1      HIS  18   6.933 -13.387  -5.306
  133    HA   PRO  19           HA       PRO  19   3.047  -8.224  -4.228
  134   1HB   PRO  19          2HB       PRO  19   5.206  -7.943  -5.884
  135   2HB   PRO  19          1HB       PRO  19   5.054  -7.156  -4.307
  136   1HG   PRO  19          2HG       PRO  19   6.710  -9.511  -5.084
  137   2HG   PRO  19          1HG       PRO  19   6.996  -8.309  -3.816
  138   1HD   PRO  19          2HD       PRO  19   6.001 -10.910  -3.409
  139   2HD   PRO  19          1HD       PRO  19   5.930  -9.585  -2.234
  140    H    LYS  20           H        LYS  20   4.827 -10.965  -5.766
  141    HA   LYS  20           HA       LYS  20   3.830 -10.649  -8.354
  142   1HB   LYS  20          2HB       LYS  20   5.462 -12.451  -7.387
  143   2HB   LYS  20          1HB       LYS  20   3.996 -13.416  -7.337
  144   1HG   LYS  20          2HG       LYS  20   3.606 -12.757  -9.762
  145   2HG   LYS  20          1HG       LYS  20   5.245 -12.106  -9.751
  146   1HD   LYS  20          2HD       LYS  20   6.179 -14.274  -9.229
  147   2HD   LYS  20          1HD       LYS  20   4.572 -14.961  -8.991
  148   1HE   LYS  20          2HE       LYS  20   4.166 -14.157 -11.461
  149   2HE   LYS  20          1HE       LYS  20   5.927 -14.164 -11.552
  150   1HZ   LYS  20          2HZ       LYS  20   5.912 -16.469 -10.801
  151   2HZ   LYS  20          1HZ       LYS  20   4.213 -16.457 -10.754
  152   3HZ   LYS  20          3HZ       LYS  20   5.020 -16.286 -12.236
  153    H    PHE  21           H        PHE  21   2.015 -11.718  -5.558
  154    HA   PHE  21           HA       PHE  21  -0.149 -13.032  -6.875
  155   1HB   PHE  21          2HB       PHE  21  -0.238 -11.320  -4.415
  156   2HB   PHE  21          1HB       PHE  21  -1.463 -12.465  -4.895
  157    HD1  PHE  21           HD2      PHE  21   0.797 -14.503  -5.921
  158    HD2  PHE  21           HD1      PHE  21   0.019 -12.428  -2.239
  159    HE1  PHE  21           HE2      PHE  21   1.988 -16.275  -4.662
  160    HE2  PHE  21           HE1      PHE  21   1.205 -14.203  -0.984
  161    HZ   PHE  21           HZ       PHE  21   2.189 -16.131  -2.197
  162    H    ILE  22           H        ILE  22   0.527  -9.654  -6.134
  163    HA   ILE  22           HA       ILE  22  -1.918  -8.471  -6.961
  164    HB   ILE  22           HB       ILE  22   0.903  -7.358  -7.135
  165   1HG1  ILE  22          2HG1      ILE  22  -1.026  -6.620  -4.975
  166   2HG1  ILE  22          1HG1      ILE  22  -0.255  -8.203  -4.868
  167   1HG2  ILE  22          2HG2      ILE  22  -1.812  -6.191  -7.550
  168   2HG2  ILE  22          1HG2      ILE  22  -0.609  -5.201  -6.724
  169   3HG2  ILE  22          3HG2      ILE  22  -0.290  -5.805  -8.350
  170   1HD1  ILE  22          1HD1      ILE  22   1.885  -6.630  -5.515
  171   2HD1  ILE  22          3HD1      ILE  22   0.923  -5.510  -4.550
  172   3HD1  ILE  22          2HD1      ILE  22   1.434  -7.051  -3.862
  173    H    LYS  23           H        LYS  23  -2.838  -8.658  -8.934
  174    HA   LYS  23           HA       LYS  23  -1.252  -9.293 -11.315
  175   1HB   LYS  23          2HB       LYS  23  -3.687 -10.041 -10.774
  176   2HB   LYS  23          1HB       LYS  23  -4.146  -8.434 -11.336
  177   1HG   LYS  23          2HG       LYS  23  -3.233  -8.827 -13.511
  178   2HG   LYS  23          1HG       LYS  23  -2.399 -10.285 -12.973
  179   1HD   LYS  23          2HD       LYS  23  -4.310 -11.568 -13.026
  180   2HD   LYS  23          1HD       LYS  23  -5.360 -10.208 -12.626
  181   1HE   LYS  23          2HE       LYS  23  -5.234  -9.343 -14.864
  182   2HE   LYS  23          1HE       LYS  23  -3.945 -10.470 -15.290
  183   1HZ   LYS  23          1HZ       LYS  23  -6.701 -11.264 -14.518
  184   2HZ   LYS  23          3HZ       LYS  23  -6.133 -11.172 -16.113
  185   3HZ   LYS  23          2HZ       LYS  23  -5.459 -12.301 -15.037
  186    H    GLU  24           H        GLU  24  -2.638  -6.439  -9.802
  187    HA   GLU  24           HA       GLU  24  -1.280  -4.758 -11.833
  188   1HB   GLU  24          2HB       GLU  24  -4.221  -4.897 -11.370
  189   2HB   GLU  24          1HB       GLU  24  -3.527  -3.287 -11.549
  190   1HG   GLU  24          2HG       GLU  24  -2.977  -5.534 -13.502
  191   2HG   GLU  24          1HG       GLU  24  -4.296  -4.383 -13.712
  192    HA   LEU  25           HA       LEU  25  -0.937  -2.664  -7.876
  193   1HB   LEU  25          2HB       LEU  25   1.045  -3.948  -7.534
  194   2HB   LEU  25          1HB       LEU  25   1.867  -3.178  -8.890
  195    HG   LEU  25           HG       LEU  25   0.952  -1.239  -6.891
  196   1HD1  LEU  25          2HD1      LEU  25   1.742  -3.551  -5.709
  197   2HD1  LEU  25          1HD1      LEU  25   3.298  -2.742  -5.900
  198   3HD1  LEU  25          3HD1      LEU  25   1.998  -1.955  -5.005
  199   1HD2  LEU  25          2HD2      LEU  25   3.072  -1.639  -8.788
  200   2HD2  LEU  25          1HD2      LEU  25   2.643  -0.164  -7.921
  201   3HD2  LEU  25          3HD2      LEU  25   3.787  -1.305  -7.211
  202    NH1  ARG  26           NH2      ARG  26  -3.256   2.313 -13.258
  203    NH2  ARG  26           NH1      ARG  26  -5.224   3.363 -12.852
  204    H    ARG  26           H        ARG  26  -1.869  -0.659  -8.319
  205    HA   ARG  26           HA       ARG  26  -0.058   1.267  -9.687
  206   1HB   ARG  26          2HB       ARG  26  -2.245   2.497 -10.308
  207   2HB   ARG  26          1HB       ARG  26  -1.868   1.020 -11.192
  208   1HG   ARG  26          2HG       ARG  26  -3.537  -0.203 -10.139
  209   2HG   ARG  26          1HG       ARG  26  -3.513   0.809  -8.695
  210   1HD   ARG  26          2HD       ARG  26  -5.546   1.339  -9.849
  211   2HD   ARG  26          1HD       ARG  26  -4.446   2.687 -10.138
  212    HE   ARG  26           HE       ARG  26  -5.065   0.556 -12.141
  213   1HH1  ARG  26          1HH2      ARG  26  -2.632   1.549 -13.094
  214   2HH1  ARG  26          2HH2      ARG  26  -2.999   3.039 -13.897
  215   1HH2  ARG  26          2HH1      ARG  26  -6.104   3.401 -12.378
  216   2HH2  ARG  26          1HH1      ARG  26  -4.970   4.090 -13.490
  217    H    VAL  27           H        VAL  27   0.627   2.843  -8.327
  218    HA   VAL  27           HA       VAL  27  -0.812   3.301  -5.788
  219    HB   VAL  27           HB       VAL  27   1.198   4.691  -5.242
  220   1HG1  VAL  27          1HG1      VAL  27   1.014   2.209  -4.788
  221   2HG1  VAL  27          3HG1      VAL  27   1.949   1.945  -6.259
  222   3HG1  VAL  27          2HG1      VAL  27   2.663   2.819  -4.904
  223   1HG2  VAL  27          3HG2      VAL  27   1.633   5.123  -7.780
  224   2HG2  VAL  27          2HG2      VAL  27   3.021   4.908  -6.713
  225   3HG2  VAL  27          1HG2      VAL  27   2.477   3.574  -7.730
  226    H    ILE  28           H        ILE  28  -1.514   5.423  -5.136
  227    HA   ILE  28           HA       ILE  28  -2.205   7.179  -7.441
  228    HB   ILE  28           HB       ILE  28  -3.194   7.330  -4.575
  229   1HG1  ILE  28          2HG1      ILE  28  -3.859   5.180  -5.488
  230   2HG1  ILE  28          1HG1      ILE  28  -5.263   6.244  -5.503
  231   1HG2  ILE  28          3HG2      ILE  28  -3.339   9.333  -6.253
  232   2HG2  ILE  28          2HG2      ILE  28  -4.600   8.373  -7.025
  233   3HG2  ILE  28          1HG2      ILE  28  -4.780   8.876  -5.344
  234   1HD1  ILE  28          3HD1      ILE  28  -4.300   6.808  -7.950
  235   2HD1  ILE  28          2HD1      ILE  28  -3.677   5.167  -7.784
  236   3HD1  ILE  28          1HD1      ILE  28  -5.410   5.468  -7.663
  237    H    GLU  29           H        GLU  29  -1.331   9.217  -7.643
  238    HA   GLU  29           HA       GLU  29   0.987   9.919  -6.086
  239   1HB   GLU  29          2HB       GLU  29   0.810  12.105  -7.338
  240   2HB   GLU  29          1HB       GLU  29   0.892  10.679  -8.356
  241   1HG   GLU  29          2HG       GLU  29  -1.148  11.093  -9.243
  242   2HG   GLU  29          1HG       GLU  29  -1.860  11.328  -7.645
  243    H    SER  30           H        SER  30   1.109  12.244  -5.130
  244    HA   SER  30           HA       SER  30  -1.241  12.593  -3.315
  245   1HB   SER  30          2HB       SER  30   0.666  13.958  -2.032
  246   2HB   SER  30          1HB       SER  30   0.473  12.223  -1.830
  247    HG   SER  30           HG       SER  30   2.621  12.694  -2.304
  248    H    GLY  31           H        GLY  31  -1.781  14.803  -2.707
  249   1HA   GLY  31          2HA       GLY  31  -0.697  17.131  -3.955
  250   2HA   GLY  31          1HA       GLY  31  -2.072  16.578  -4.905
  251    HA   PRO  32           HA       PRO  32  -3.932  19.162  -1.609
  252   1HB   PRO  32          2HB       PRO  32  -5.834  20.250  -3.284
  253   2HB   PRO  32          1HB       PRO  32  -4.220  20.942  -3.048
  254   1HG   PRO  32          2HG       PRO  32  -5.277  19.385  -5.368
  255   2HG   PRO  32          1HG       PRO  32  -4.010  20.623  -5.330
  256   1HD   PRO  32          2HD       PRO  32  -3.560  17.850  -5.474
  257   2HD   PRO  32          1HD       PRO  32  -2.352  19.065  -5.009
  258    H    HIS  33           H        HIS  33  -5.351  17.136  -4.119
  259    HA   HIS  33           HA       HIS  33  -7.899  16.601  -2.977
  260   1HB   HIS  33          2HB       HIS  33  -7.829  14.519  -4.368
  261   2HB   HIS  33          1HB       HIS  33  -7.377  15.954  -5.283
  262    HD1  HIS  33           HD1      HIS  33  -4.772  16.289  -5.749
  263    HD2  HIS  33           HD2      HIS  33  -5.789  12.584  -4.134
  264    HE1  HIS  33           HE1      HIS  33  -2.704  14.850  -5.922
  265    H    CYS  34           H        CYS  34  -4.733  15.084  -2.450
  266    HA   CYS  34           HA       CYS  34  -5.691  13.991   0.084
  267   1HB   CYS  34          2HB       CYS  34  -5.988  12.209  -1.764
  268   2HB   CYS  34          1HB       CYS  34  -4.225  12.159  -1.817
  269    H    ALA  35           H        ALA  35  -4.214  14.770   1.496
  270    HA   ALA  35           HA       ALA  35  -1.633  15.744   0.742
  271   1HB   ALA  35          2HB       ALA  35  -2.778  15.000   3.443
  272   2HB   ALA  35          1HB       ALA  35  -1.215  15.787   3.230
  273   3HB   ALA  35          3HB       ALA  35  -2.691  16.611   2.727
  274    H    ASN  36           H        ASN  36  -2.647  12.644   2.166
  275    HA   ASN  36           HA       ASN  36   0.165  11.710   2.165
  276   1HB   ASN  36          2HB       ASN  36  -2.394  10.787   3.397
  277   2HB   ASN  36          1HB       ASN  36  -1.166   9.571   3.054
  278   1HD2  ASN  36          2HD2      ASN  36  -0.445  12.396   5.940
  279   2HD2  ASN  36          1HD2      ASN  36  -1.721  12.625   4.842
  280    H    THR  37           H        THR  37   0.867   9.926   0.938
  281    HA   THR  37           HA       THR  37  -0.553   9.500  -1.595
  282    HB   THR  37           HB       THR  37   1.948   8.106  -0.591
  283    HG1  THR  37           HG1      THR  37   1.733  10.498  -2.100
  284   1HG2  THR  37          2HG2      THR  37   0.661   7.281  -2.665
  285   2HG2  THR  37          1HG2      THR  37   1.185   8.781  -3.431
  286   3HG2  THR  37          3HG2      THR  37   2.380   7.615  -2.867
  287    H    GLU  38           H        GLU  38  -1.509   7.506  -2.250
  288    HA   GLU  38           HA       GLU  38  -1.720   5.409  -0.126
  289   1HB   GLU  38          2HB       GLU  38  -3.791   7.100  -0.830
  290   2HB   GLU  38          1HB       GLU  38  -4.091   5.689  -1.845
  291   1HG   GLU  38          2HG       GLU  38  -5.233   5.215   0.181
  292   2HG   GLU  38          1HG       GLU  38  -3.734   4.294   0.294
  293    H    ILE  39           H        ILE  39  -1.253   3.394  -0.876
  294    HA   ILE  39           HA       ILE  39  -0.742   3.055  -3.770
  295    HB   ILE  39           HB       ILE  39  -0.275   1.319  -1.328
  296   1HG1  ILE  39          2HG1      ILE  39   2.044   1.825  -2.932
  297   2HG1  ILE  39          1HG1      ILE  39   1.214   3.357  -2.676
  298   1HG2  ILE  39          3HG2      ILE  39   0.098   0.679  -4.260
  299   2HG2  ILE  39          2HG2      ILE  39   1.018  -0.141  -2.999
  300   3HG2  ILE  39          1HG2      ILE  39  -0.739  -0.274  -3.034
  301   1HD1  ILE  39          3HD1      ILE  39   1.399   1.646  -0.275
  302   2HD1  ILE  39          2HD1      ILE  39   2.946   2.233  -0.884
  303   3HD1  ILE  39          1HD1      ILE  39   1.678   3.378  -0.448
  304    H    ILE  40           H        ILE  40  -1.771   1.284  -4.999
  305    HA   ILE  40           HA       ILE  40  -4.183   0.083  -3.762
  306    HB   ILE  40           HB       ILE  40  -4.334   1.610  -6.381
  307   1HG1  ILE  40          2HG1      ILE  40  -5.632   2.234  -3.708
  308   2HG1  ILE  40          1HG1      ILE  40  -4.187   3.041  -4.310
  309   1HG2  ILE  40          2HG2      ILE  40  -6.251  -0.097  -4.788
  310   2HG2  ILE  40          1HG2      ILE  40  -6.845   1.134  -5.902
  311   3HG2  ILE  40          3HG2      ILE  40  -5.859  -0.198  -6.505
  312   1HD1  ILE  40          2HD1      ILE  40  -5.477   3.718  -6.350
  313   2HD1  ILE  40          1HD1      ILE  40  -6.923   3.029  -5.614
  314   3HD1  ILE  40          3HD1      ILE  40  -6.121   4.407  -4.861
  315    H    VAL  41           H        VAL  41  -3.552  -1.986  -4.010
  316    HA   VAL  41           HA       VAL  41  -2.529  -2.893  -6.641
  317    HB   VAL  41           HB       VAL  41  -1.788  -4.903  -5.377
  318   1HG1  VAL  41          2HG1      VAL  41  -0.390  -2.790  -5.657
  319   2HG1  VAL  41          1HG1      VAL  41  -0.838  -2.393  -3.998
  320   3HG1  VAL  41          3HG1      VAL  41   0.085  -3.857  -4.338
  321   1HG2  VAL  41          2HG2      VAL  41  -3.654  -4.334  -3.550
  322   2HG2  VAL  41          1HG2      VAL  41  -2.196  -5.234  -3.133
  323   3HG2  VAL  41          3HG2      VAL  41  -2.293  -3.506  -2.793
  324    H    LYS  42           H        LYS  42  -3.284  -5.170  -7.225
  325    HA   LYS  42           HA       LYS  42  -6.096  -5.676  -6.380
  326   1HB   LYS  42          2HB       LYS  42  -5.140  -4.888  -9.020
  327   2HB   LYS  42          1HB       LYS  42  -5.940  -6.458  -9.076
  328   1HG   LYS  42          2HG       LYS  42  -7.825  -5.173  -9.244
  329   2HG   LYS  42          1HG       LYS  42  -7.678  -5.119  -7.487
  330   1HD   LYS  42          2HD       LYS  42  -6.731  -2.968  -7.505
  331   2HD   LYS  42          1HD       LYS  42  -6.251  -3.091  -9.197
  332   1HE   LYS  42          2HE       LYS  42  -8.533  -2.898  -9.941
  333   2HE   LYS  42          1HE       LYS  42  -9.143  -3.055  -8.294
  334   1HZ   LYS  42          2HZ       LYS  42  -8.002  -0.981  -7.733
  335   2HZ   LYS  42          1HZ       LYS  42  -7.490  -0.821  -9.346
  336   3HZ   LYS  42          3HZ       LYS  42  -9.143  -0.755  -8.971
  337    H    LEU  43           H        LEU  43  -5.706  -7.557  -5.239
  338    HA   LEU  43           HA       LEU  43  -3.717  -9.485  -5.758
  339   1HB   LEU  43          2HB       LEU  43  -6.368  -9.595  -4.355
  340   2HB   LEU  43          1HB       LEU  43  -5.395 -11.043  -4.528
  341    HG   LEU  43           HG       LEU  43  -4.380  -8.449  -3.330
  342   1HD1  LEU  43          1HD1      LEU  43  -6.169  -9.590  -1.971
  343   2HD1  LEU  43          3HD1      LEU  43  -5.132 -11.013  -1.901
  344   3HD1  LEU  43          2HD1      LEU  43  -4.604  -9.501  -1.164
  345   1HD2  LEU  43          1HD2      LEU  43  -3.218 -11.196  -3.769
  346   2HD2  LEU  43          3HD2      LEU  43  -2.497  -9.622  -4.108
  347   3HD2  LEU  43          2HD2      LEU  43  -2.636 -10.187  -2.444
  348    H    SER  44           H        SER  44  -3.720 -11.449  -6.840
  349    HA   SER  44           HA       SER  44  -4.984 -11.625  -9.349
  350   1HB   SER  44          2HB       SER  44  -4.236 -14.035  -9.297
  351   2HB   SER  44          1HB       SER  44  -2.967 -12.867  -8.946
  352    HG   SER  44           HG       SER  44  -3.155 -14.719  -7.477
  353    H    ASP  45           H        ASP  45  -6.180 -12.599  -6.207
  354    HA   ASP  45           HA       ASP  45  -8.186 -14.415  -7.221
  355   1HB   ASP  45          2HB       ASP  45  -7.107 -14.135  -4.796
  356   2HB   ASP  45          1HB       ASP  45  -8.507 -13.088  -4.569
  357    H    GLY  46           H        GLY  46  -7.972 -11.232  -7.825
  358   1HA   GLY  46          2HA       GLY  46  -9.619  -9.782  -8.694
  359   2HA   GLY  46          1HA       GLY  46 -10.857 -10.924  -8.173
  360    NH1  ARG  47           NH1      ARG  47 -12.119  -8.287   0.103
  361    NH2  ARG  47           NH2      ARG  47 -12.056 -10.347   1.047
  362    H    ARG  47           H        ARG  47  -8.318  -9.641  -6.057
  363    HA   ARG  47           HA       ARG  47 -10.487  -8.340  -4.452
  364   1HB   ARG  47          2HB       ARG  47  -8.975 -10.275  -3.546
  365   2HB   ARG  47          1HB       ARG  47  -7.750  -9.017  -3.405
  366   1HG   ARG  47          2HG       ARG  47  -8.763  -8.086  -1.604
  367   2HG   ARG  47          1HG       ARG  47 -10.360  -8.192  -2.346
  368   1HD   ARG  47          2HD       ARG  47 -10.595 -10.498  -1.690
  369   2HD   ARG  47          1HD       ARG  47  -8.914 -10.576  -1.164
  370    HE   ARG  47           HE       ARG  47  -9.502  -9.240   0.772
  371   1HH1  ARG  47          2HH1      ARG  47 -11.657  -7.539  -0.376
  372   2HH1  ARG  47          1HH1      ARG  47 -13.087  -8.208   0.339
  373   1HH2  ARG  47          1HH2      ARG  47 -11.546 -11.174   1.291
  374   2HH2  ARG  47          2HH2      ARG  47 -13.024 -10.269   1.284
  375    H    GLU  48           H        GLU  48  -9.743  -6.361  -3.227
  376    HA   GLU  48           HA       GLU  48  -7.614  -4.842  -4.668
  377   1HB   GLU  48          2HB       GLU  48 -10.208  -4.307  -5.171
  378   2HB   GLU  48          1HB       GLU  48 -10.004  -3.332  -3.715
  379   1HG   GLU  48          2HG       GLU  48  -7.700  -2.807  -5.200
  380   2HG   GLU  48          1HG       GLU  48  -8.979  -2.866  -6.410
  381    H    LEU  49           H        LEU  49  -6.143  -4.120  -3.213
  382    HA   LEU  49           HA       LEU  49  -7.077  -3.438  -0.453
  383   1HB   LEU  49          2HB       LEU  49  -5.306  -5.619  -1.227
  384   2HB   LEU  49          1HB       LEU  49  -4.499  -4.474  -0.158
  385    HG   LEU  49           HG       LEU  49  -6.751  -4.653   1.219
  386   1HD1  LEU  49          2HD1      LEU  49  -7.493  -6.311  -0.753
  387   2HD1  LEU  49          1HD1      LEU  49  -6.659  -7.482   0.269
  388   3HD1  LEU  49          3HD1      LEU  49  -8.015  -6.558   0.914
  389   1HD2  LEU  49          2HD2      LEU  49  -4.355  -5.360   1.814
  390   2HD2  LEU  49          1HD2      LEU  49  -5.651  -6.226   2.639
  391   3HD2  LEU  49          3HD2      LEU  49  -4.812  -6.977   1.280
  392    H    CYS  50           H        CYS  50  -6.422  -1.376  -0.036
  393    HA   CYS  50           HA       CYS  50  -4.289  -0.162  -1.636
  394   1HB   CYS  50          2HB       CYS  50  -5.571   1.118   0.712
  395   2HB   CYS  50          1HB       CYS  50  -4.901   1.882  -0.700
  396    H    LEU  51           H        LEU  51  -2.233   0.268  -0.844
  397    HA   LEU  51           HA       LEU  51  -1.581  -1.049   1.710
  398   1HB   LEU  51          2HB       LEU  51   0.282  -0.145  -0.469
  399   2HB   LEU  51          1HB       LEU  51   0.692  -1.126   0.915
  400    HG   LEU  51           HG       LEU  51  -0.886  -1.890  -1.518
  401   1HD1  LEU  51          2HD1      LEU  51   1.582  -2.377  -1.158
  402   2HD1  LEU  51          1HD1      LEU  51   1.091  -3.447   0.155
  403   3HD1  LEU  51          3HD1      LEU  51   0.575  -3.786  -1.497
  404   1HD2  LEU  51          1HD2      LEU  51  -1.187  -3.023   1.271
  405   2HD2  LEU  51          3HD2      LEU  51  -2.458  -2.562   0.140
  406   3HD2  LEU  51          2HD2      LEU  51  -1.494  -4.007  -0.157
  407    H    ASP  52           H        ASP  52  -0.155  -0.109   3.166
  408    HA   ASP  52           HA       ASP  52  -0.328   2.854   3.299
  409   1HB   ASP  52          2HB       ASP  52  -1.175   1.263   5.167
  410   2HB   ASP  52          1HB       ASP  52   0.525   0.996   5.524
  411    HA   PRO  53           HA       PRO  53   4.004   2.660   2.171
  412   1HB   PRO  53          2HB       PRO  53   4.326   5.398   2.052
  413   2HB   PRO  53          1HB       PRO  53   3.656   4.415   0.739
  414   1HG   PRO  53          2HG       PRO  53   2.227   6.185   2.682
  415   2HG   PRO  53          1HG       PRO  53   1.803   5.778   1.009
  416   1HD   PRO  53          2HD       PRO  53   0.605   4.658   3.273
  417   2HD   PRO  53          1HD       PRO  53   0.576   3.938   1.649
  418    H    LYS  54           H        LYS  54   2.582   3.747   5.071
  419    HA   LYS  54           HA       LYS  54   4.772   4.986   6.380
  420   1HB   LYS  54          2HB       LYS  54   2.165   3.955   7.103
  421   2HB   LYS  54          1HB       LYS  54   3.358   3.534   8.331
  422   1HG   LYS  54          2HG       LYS  54   3.390   6.325   7.258
  423   2HG   LYS  54          1HG       LYS  54   2.090   5.885   8.365
  424   1HD   LYS  54          2HD       LYS  54   4.191   4.822   9.698
  425   2HD   LYS  54          1HD       LYS  54   5.003   6.157   8.881
  426   1HE   LYS  54          2HE       LYS  54   2.919   7.541   9.733
  427   2HE   LYS  54          1HE       LYS  54   2.803   6.240  10.917
  428   1HZ   LYS  54          1HZ       LYS  54   5.127   6.644  11.505
  429   2HZ   LYS  54          3HZ       LYS  54   5.191   7.933  10.403
  430   3HZ   LYS  54          2HZ       LYS  54   4.169   8.024  11.757
  431    H    GLU  55           H        GLU  55   4.033   1.598   5.702
  432    HA   GLU  55           HA       GLU  55   6.060   0.589   7.558
  433   1HB   GLU  55          2HB       GLU  55   4.410  -0.715   5.380
  434   2HB   GLU  55          1HB       GLU  55   5.570  -1.584   6.368
  435   1HG   GLU  55          2HG       GLU  55   3.692  -1.955   7.630
  436   2HG   GLU  55          1HG       GLU  55   4.199  -0.433   8.339
  437    H    ASN  56           H        ASN  56   7.770  -0.879   6.612
  438    HA   ASN  56           HA       ASN  56   9.116   0.506   4.370
  439   1HB   ASN  56          2HB       ASN  56   9.993  -0.829   6.734
  440   2HB   ASN  56          1HB       ASN  56  10.695  -1.620   5.330
  441   1HD2  ASN  56          2HD2      ASN  56  11.602   2.346   5.970
  442   2HD2  ASN  56          1HD2      ASN  56  10.132   1.735   6.558
  443    CH2  TRP  57           CH2      TRP  57   1.611  -4.579   2.456
  444    H    TRP  57           H        TRP  57   7.281  -2.334   5.025
  445    HA   TRP  57           HA       TRP  57   8.410  -3.881   2.859
  446   1HB   TRP  57          2HB       TRP  57   6.873  -5.575   3.472
  447   2HB   TRP  57          1HB       TRP  57   7.382  -4.843   4.966
  448    HD1  TRP  57           HD1      TRP  57   5.598  -3.820   6.440
  449    HE1  TRP  57           HE1      TRP  57   3.045  -3.647   6.308
  450    HE3  TRP  57           HE3      TRP  57   4.856  -5.159   1.586
  451    HZ2  TRP  57           HZ2      TRP  57   0.950  -3.957   4.409
  452    HZ3  TRP  57           HZ3      TRP  57   2.575  -5.186   0.632
  453    HH2  TRP  57           HH2      TRP  57   0.617  -4.598   2.034
  454    H    VAL  58           H        VAL  58   5.540  -1.873   3.372
  455    HA   VAL  58           HA       VAL  58   4.294  -2.481   0.848
  456    HB   VAL  58           HB       VAL  58   4.111  -0.203   2.800
  457   1HG1  VAL  58          1HG1      VAL  58   2.949  -0.299   0.018
  458   2HG1  VAL  58          3HG1      VAL  58   2.204   0.650   1.304
  459   3HG1  VAL  58          2HG1      VAL  58   3.848   1.014   0.779
  460   1HG2  VAL  58          2HG2      VAL  58   2.343  -2.420   1.828
  461   2HG2  VAL  58          1HG2      VAL  58   2.801  -2.010   3.479
  462   3HG2  VAL  58          3HG2      VAL  58   1.644  -1.006   2.612
  463    H    GLN  59           H        GLN  59   6.643   0.008   1.844
  464    HA   GLN  59           HA       GLN  59   6.781   1.179  -0.800
  465   1HB   GLN  59          2HB       GLN  59   8.641   2.484   0.112
  466   2HB   GLN  59          1HB       GLN  59   7.255   2.514   1.198
  467   1HG   GLN  59          2HG       GLN  59   8.249   0.715   2.525
  468   2HG   GLN  59          1HG       GLN  59   9.632   0.666   1.439
  469   1HE2  GLN  59          2HE2      GLN  59  11.290   3.136   3.316
  470   2HE2  GLN  59          1HE2      GLN  59  11.391   1.721   2.384
  471    NH1  ARG  60           NH1      ARG  60  14.445  -5.013   2.669
  472    NH2  ARG  60           NH2      ARG  60  14.620  -3.577   4.415
  473    H    ARG  60           H        ARG  60   8.455  -1.415   0.859
  474    HA   ARG  60           HA       ARG  60  10.635  -1.527  -1.104
  475   1HB   ARG  60          2HB       ARG  60   9.812  -3.129   1.294
  476   2HB   ARG  60          1HB       ARG  60  10.850  -3.898   0.095
  477   1HG   ARG  60          2HG       ARG  60  12.558  -2.263   0.370
  478   2HG   ARG  60          1HG       ARG  60  11.481  -1.175   1.247
  479   1HD   ARG  60          2HD       ARG  60  11.776  -2.273   3.221
  480   2HD   ARG  60          1HD       ARG  60  11.771  -3.859   2.451
  481    HE   ARG  60           HE       ARG  60  14.192  -2.230   2.011
  482   1HH1  ARG  60          2HH1      ARG  60  14.153  -5.205   1.731
  483   2HH1  ARG  60          1HH1      ARG  60  14.893  -5.726   3.208
  484   1HH2  ARG  60          1HH2      ARG  60  14.460  -2.672   4.812
  485   2HH2  ARG  60          2HH2      ARG  60  15.067  -4.288   4.958
  486    H    VAL  61           H        VAL  61   7.591  -3.214  -0.409
  487    HA   VAL  61           HA       VAL  61   7.832  -5.211  -2.461
  488    HB   VAL  61           HB       VAL  61   5.509  -4.005  -0.951
  489   1HG1  VAL  61          3HG1      VAL  61   5.472  -5.793  -3.337
  490   2HG1  VAL  61          2HG1      VAL  61   4.338  -6.139  -2.031
  491   3HG1  VAL  61          1HG1      VAL  61   4.307  -4.568  -2.833
  492   1HG2  VAL  61          1HG2      VAL  61   7.076  -5.588   0.186
  493   2HG2  VAL  61          3HG2      VAL  61   5.428  -6.211   0.083
  494   3HG2  VAL  61          2HG2      VAL  61   6.667  -6.806  -1.020
  495    H    VAL  62           H        VAL  62   6.439  -1.938  -2.422
  496    HA   VAL  62           HA       VAL  62   5.418  -2.035  -5.119
  497    HB   VAL  62           HB       VAL  62   6.175   0.284  -3.313
  498   1HG1  VAL  62          3HG1      VAL  62   4.897   0.278  -6.062
  499   2HG1  VAL  62          2HG1      VAL  62   4.811   1.649  -4.956
  500   3HG1  VAL  62          1HG1      VAL  62   6.373   1.109  -5.570
  501   1HG2  VAL  62          2HG2      VAL  62   4.138  -1.372  -2.949
  502   2HG2  VAL  62          1HG2      VAL  62   3.923   0.365  -2.734
  503   3HG2  VAL  62          3HG2      VAL  62   3.403  -0.408  -4.231
  504    H    GLU  63           H        GLU  63   8.532  -0.997  -3.719
  505    HA   GLU  63           HA       GLU  63   9.622   0.014  -6.159
  506   1HB   GLU  63          2HB       GLU  63  10.590  -0.541  -3.450
  507   2HB   GLU  63          1HB       GLU  63  11.810  -0.836  -4.688
  508   1HG   GLU  63          2HG       GLU  63  12.126   1.437  -4.284
  509   2HG   GLU  63          1HG       GLU  63  10.991   1.487  -5.633
  510    H    LYS  64           H        LYS  64   9.869  -3.187  -4.577
  511    HA   LYS  64           HA       LYS  64  11.580  -4.329  -6.565
  512   1HB   LYS  64          2HB       LYS  64  10.803  -5.157  -4.138
  513   2HB   LYS  64          1HB       LYS  64   9.650  -6.072  -5.111
  514   1HG   LYS  64          2HG       LYS  64  11.598  -6.884  -6.500
  515   2HG   LYS  64          1HG       LYS  64  12.672  -6.130  -5.322
  516   1HD   LYS  64          2HD       LYS  64  10.542  -7.951  -4.284
  517   2HD   LYS  64          1HD       LYS  64  11.926  -8.686  -5.092
  518   1HE   LYS  64          2HE       LYS  64  12.953  -8.528  -3.074
  519   2HE   LYS  64          1HE       LYS  64  13.137  -6.819  -3.467
  520   1HZ   LYS  64          3HZ       LYS  64  10.818  -7.992  -2.028
  521   2HZ   LYS  64          2HZ       LYS  64  12.111  -7.177  -1.287
  522   3HZ   LYS  64          1HZ       LYS  64  11.074  -6.345  -2.344
  523    H    PHE  65           H        PHE  65   8.084  -3.974  -6.301
  524    HA   PHE  65           HA       PHE  65   7.440  -5.774  -8.489
  525   1HB   PHE  65          2HB       PHE  65   5.977  -4.877  -6.495
  526   2HB   PHE  65          1HB       PHE  65   5.668  -3.528  -7.577
  527    HD1  PHE  65           HD2      PHE  65   5.741  -7.291  -7.640
  528    HD2  PHE  65           HD1      PHE  65   3.874  -3.686  -9.043
  529    HE1  PHE  65           HE2      PHE  65   4.044  -8.636  -8.852
  530    HE2  PHE  65           HE1      PHE  65   2.178  -5.030 -10.253
  531    HZ   PHE  65           HZ       PHE  65   2.264  -7.507 -10.157
  532    H    LEU  66           H        LEU  66   7.745  -2.232  -8.143
  533    HA   LEU  66           HA       LEU  66   7.070  -1.710 -10.926
  534   1HB   LEU  66          2HB       LEU  66   7.287  -0.169  -8.617
  535   2HB   LEU  66          1HB       LEU  66   8.640   0.377  -9.604
  536    HG   LEU  66           HG       LEU  66   6.612   1.697 -10.082
  537   1HD1  LEU  66          1HD1      LEU  66   8.310   1.050 -11.890
  538   2HD1  LEU  66          3HD1      LEU  66   7.124  -0.136 -12.432
  539   3HD1  LEU  66          2HD1      LEU  66   6.728   1.582 -12.458
  540   1HD2  LEU  66          3HD2      LEU  66   5.098  -0.344  -9.537
  541   2HD2  LEU  66          2HD2      LEU  66   4.588   0.741 -10.830
  542   3HD2  LEU  66          1HD2      LEU  66   5.354  -0.799 -11.221
  543    H    LYS  67           H        LYS  67  10.158  -1.787  -9.104
  544    HA   LYS  67           HA       LYS  67  11.788  -1.091 -11.376
  545   1HB   LYS  67          2HB       LYS  67  12.323  -1.149  -8.774
  546   2HB   LYS  67          1HB       LYS  67  12.886  -2.775  -9.153
  547   1HG   LYS  67          2HG       LYS  67  13.758  -0.462 -10.867
  548   2HG   LYS  67          1HG       LYS  67  14.560  -0.759  -9.326
  549   1HD   LYS  67          2HD       LYS  67  14.811  -3.197 -10.127
  550   2HD   LYS  67          1HD       LYS  67  14.398  -2.582 -11.727
  551   1HE   LYS  67          2HE       LYS  67  16.561  -1.247 -10.115
  552   2HE   LYS  67          1HE       LYS  67  16.918  -2.708 -11.034
  553   1HZ   LYS  67          3HZ       LYS  67  15.983  -1.585 -13.008
  554   2HZ   LYS  67          2HZ       LYS  67  15.820  -0.161 -12.096
  555   3HZ   LYS  67          1HZ       LYS  67  17.362  -0.812 -12.393
  556    NH1  ARG  68           NH2      ARG  68  12.804 -10.017 -10.915
  557    NH2  ARG  68           NH1      ARG  68  11.263 -11.094 -12.181
  558    H    ARG  68           H        ARG  68  11.280  -2.409 -13.139
  559    HA   ARG  68           HA       ARG  68  12.666  -4.886 -13.418
  560   1HB   ARG  68          2HB       ARG  68   9.968  -5.084 -12.310
  561   2HB   ARG  68          1HB       ARG  68  10.127  -5.978 -13.815
  562   1HG   ARG  68          2HG       ARG  68  12.469  -6.624 -12.511
  563   2HG   ARG  68          1HG       ARG  68  11.316  -6.526 -11.181
  564   1HD   ARG  68          2HD       ARG  68  10.151  -8.356 -11.884
  565   2HD   ARG  68          1HD       ARG  68  10.336  -7.943 -13.588
  566    HE   ARG  68           HE       ARG  68  12.645  -8.901 -13.447
  567   1HH1  ARG  68          1HH2      ARG  68  13.373  -9.212 -10.741
  568   2HH1  ARG  68          2HH2      ARG  68  12.844 -10.800 -10.295
  569   1HH2  ARG  68          2HH1      ARG  68  10.655 -11.114 -12.975
  570   2HH2  ARG  68          1HH1      ARG  68  11.302 -11.879 -11.562
  571    H    ALA  69           H        ALA  69  11.377  -6.132 -15.443
  572    HA   ALA  69           HA       ALA  69  10.908  -5.997 -17.734
  573   1HB   ALA  69          3HB       ALA  69   8.933  -4.648 -16.600
  574   2HB   ALA  69          2HB       ALA  69   9.721  -3.267 -17.362
  575   3HB   ALA  69          1HB       ALA  69   9.148  -4.610 -18.351
  576    H    GLU  70           H        GLU  70  11.016  -4.063 -19.626
  577    HA   GLU  70           HA       GLU  70  13.797  -3.013 -19.348
  578   1HB   GLU  70          2HB       GLU  70  12.090  -3.562 -21.797
  579   2HB   GLU  70          1HB       GLU  70  13.691  -2.828 -21.855
  580   1HG   GLU  70          2HG       GLU  70  13.257  -5.461 -20.449
  581   2HG   GLU  70          1HG       GLU  70  13.511  -5.400 -22.193
  582    H    ASN  71           H        ASN  71  10.730  -2.019 -20.941
  583    HA   ASN  71           HA       ASN  71  11.260   0.758 -19.975
  584   1HB   ASN  71          2HB       ASN  71  11.722   0.258 -22.510
  585   2HB   ASN  71          1HB       ASN  71   9.966   0.250 -22.649
  586   1HD2  ASN  71          2HD2      ASN  71  11.578   3.767 -22.939
  587   2HD2  ASN  71          1HD2      ASN  71  12.166   2.286 -23.523
  588    H    SER  72           H        SER  72   9.744  -0.076 -18.268
  589    HA   SER  72           HA       SER  72   7.637  -0.012 -17.269
  590   1HB   SER  72          2HB       SER  72   7.445   2.093 -18.720
  591   2HB   SER  72          1HB       SER  72   6.555   1.099 -19.870
  592    HG   SER  72           HG       SER  72   5.595   2.302 -17.775
  593   1HC   CH3  25          1H        LEU  25   0.176  -3.724 -11.787
  594   2HC   CH3  25          2H        LEU  25  -0.420  -2.095 -11.462
  595   3HC   CH3  25          3H        LEU  25   1.135  -2.615 -10.810
   
  Start of MODEL          13
 Raw file had  595 H/Q atoms
  Start of MODEL   13
    1   1H    GLU   4          1H        GLU   4 -14.193  11.739  -8.701
    2   2H    GLU   4          3H        GLU   4 -13.221  11.806 -10.092
    3   3H    GLU   4          2H        GLU   4 -14.190  10.441  -9.797
    4    HA   GLU   4           HA       GLU   4 -12.892   9.877  -7.854
    5   1HB   GLU   4          2HB       GLU   4 -12.230   9.140 -10.207
    6   2HB   GLU   4          1HB       GLU   4 -11.028  10.430 -10.176
    7   1HG   GLU   4          2HG       GLU   4 -10.082   9.448  -8.085
    8   2HG   GLU   4          1HG       GLU   4 -11.229   8.114  -8.225
    9    H    LEU   5           H        LEU   5 -12.331  11.152  -6.105
   10    HA   LEU   5           HA       LEU   5 -10.017  12.961  -6.413
   11   1HB   LEU   5          2HB       LEU   5 -11.243  14.786  -5.137
   12   2HB   LEU   5          1HB       LEU   5 -11.779  14.544  -6.798
   13    HG   LEU   5           HG       LEU   5 -13.452  12.828  -5.554
   14   1HD1  LEU   5          2HD1      LEU   5 -12.641  14.906  -3.525
   15   2HD1  LEU   5          1HD1      LEU   5 -14.258  14.201  -3.501
   16   3HD1  LEU   5          3HD1      LEU   5 -12.843  13.168  -3.303
   17   1HD2  LEU   5          1HD2      LEU   5 -13.812  15.832  -5.800
   18   2HD2  LEU   5          3HD2      LEU   5 -14.121  14.643  -7.065
   19   3HD2  LEU   5          2HD2      LEU   5 -15.125  14.670  -5.615
   20    NH1  ARG   6           NH2      ARG   6 -10.193  18.020  -0.754
   21    NH2  ARG   6           NH1      ARG   6  -9.679  17.298   1.333
   22    H    ARG   6           H        ARG   6  -9.485  13.880  -4.090
   23    HA   ARG   6           HA       ARG   6  -8.727  13.405  -1.972
   24   1HB   ARG   6          2HB       ARG   6 -11.462  12.125  -1.892
   25   2HB   ARG   6          1HB       ARG   6 -10.431  12.387  -0.505
   26   1HG   ARG   6          2HG       ARG   6 -10.772  14.778  -2.163
   27   2HG   ARG   6          1HG       ARG   6 -12.261  14.206  -1.412
   28   1HD   ARG   6          2HD       ARG   6 -11.153  14.196   0.792
   29   2HD   ARG   6          1HD       ARG   6  -9.660  14.763   0.047
   30    HE   ARG   6           HE       ARG   6 -12.181  16.379   0.071
   31   1HH1  ARG   6          1HH2      ARG   6 -10.717  17.921  -1.600
   32   2HH1  ARG   6          2HH2      ARG   6  -9.539  18.770  -0.657
   33   1HH2  ARG   6          2HH1      ARG   6  -9.810  16.649   2.081
   34   2HH2  ARG   6          1HH1      ARG   6  -9.024  18.048   1.432
   35    H    CYS   7           H        CYS   7  -8.756  11.292  -0.301
   36    HA   CYS   7           HA       CYS   7  -7.132   9.338  -1.718
   37   1HB   CYS   7          2HB       CYS   7  -7.985   9.744   1.127
   38   2HB   CYS   7          1HB       CYS   7  -7.333   8.183   0.645
   39    H    GLN   8           H        GLN   8  -7.911   7.547  -2.725
   40    HA   GLN   8           HA       GLN   8 -10.722   6.851  -2.599
   41   1HB   GLN   8          2HB       GLN   8  -8.465   6.180  -4.241
   42   2HB   GLN   8          1HB       GLN   8  -9.227   4.685  -3.694
   43   1HG   GLN   8          2HG       GLN   8 -10.796   6.993  -4.870
   44   2HG   GLN   8          1HG       GLN   8 -10.174   5.660  -5.844
   45   1HE2  GLN   8          2HE2      GLN   8 -12.588   3.320  -4.660
   46   2HE2  GLN   8          1HE2      GLN   8 -11.124   3.508  -5.500
   47    H    CYS   9           H        CYS   9  -8.049   6.066  -0.585
   48    HA   CYS   9           HA       CYS   9  -9.665   3.878   0.644
   49   1HB   CYS   9          2HB       CYS   9  -6.923   3.756  -0.410
   50   2HB   CYS   9          1HB       CYS   9  -7.072   3.169   1.241
   51    H    ILE  10           H        ILE  10 -10.375   5.021   2.426
   52    HA   ILE  10           HA       ILE  10  -8.740   6.882   3.918
   53    HB   ILE  10           HB       ILE  10 -11.217   5.337   4.773
   54   1HG1  ILE  10          2HG1      ILE  10 -11.331   8.240   4.167
   55   2HG1  ILE  10          1HG1      ILE  10 -11.049   7.195   2.776
   56   1HG2  ILE  10          2HG2      ILE  10  -9.644   7.585   6.024
   57   2HG2  ILE  10          1HG2      ILE  10 -11.367   7.403   6.351
   58   3HG2  ILE  10          3HG2      ILE  10 -10.246   6.109   6.777
   59   1HD1  ILE  10          3HD1      ILE  10 -13.028   5.811   4.027
   60   2HD1  ILE  10          2HD1      ILE  10 -13.457   7.460   4.481
   61   3HD1  ILE  10          1HD1      ILE  10 -13.325   7.020   2.779
   62    H    LYS  11           H        LYS  11  -9.276   3.412   4.038
   63    HA   LYS  11           HA       LYS  11  -7.319   3.214   6.293
   64   1HB   LYS  11          2HB       LYS  11  -8.350   1.013   6.804
   65   2HB   LYS  11          1HB       LYS  11  -9.525   2.320   6.926
   66   1HG   LYS  11          2HG       LYS  11 -10.127   1.764   4.475
   67   2HG   LYS  11          1HG       LYS  11  -9.232   0.266   4.728
   68   1HD   LYS  11          2HD       LYS  11 -11.231  -0.526   5.475
   69   2HD   LYS  11          1HD       LYS  11 -10.798   0.312   6.965
   70   1HE   LYS  11          2HE       LYS  11 -12.965   1.117   6.496
   71   2HE   LYS  11          1HE       LYS  11 -11.913   2.388   5.876
   72   1HZ   LYS  11          3HZ       LYS  11 -12.976   0.173   4.210
   73   2HZ   LYS  11          2HZ       LYS  11 -13.717   1.697   4.337
   74   3HZ   LYS  11          1HZ       LYS  11 -12.159   1.560   3.676
   75    H    THR  12           H        THR  12  -5.371   2.417   5.642
   76    HA   THR  12           HA       THR  12  -5.246   1.046   3.010
   77    HB   THR  12           HB       THR  12  -2.640   1.373   3.780
   78    HG1  THR  12           HG1      THR  12  -2.521   3.450   4.650
   79   1HG2  THR  12          2HG2      THR  12  -4.477   3.246   2.284
   80   2HG2  THR  12          1HG2      THR  12  -2.717   3.341   2.247
   81   3HG2  THR  12          3HG2      THR  12  -3.535   1.917   1.609
   82    OH   TYR  13           OH       TYR  13  -3.144  -8.575   4.293
   83    H    TYR  13           H        TYR  13  -3.040  -0.436   3.117
   84    HA   TYR  13           HA       TYR  13  -3.831  -2.636   4.927
   85   1HB   TYR  13          2HB       TYR  13  -3.412  -2.778   2.338
   86   2HB   TYR  13          1HB       TYR  13  -1.716  -2.822   2.803
   87    HD1  TYR  13           HD1      TYR  13  -4.438  -4.234   4.865
   88    HD2  TYR  13           HD2      TYR  13  -1.280  -5.044   2.077
   89    HE1  TYR  13           HE1      TYR  13  -4.616  -6.661   5.379
   90    HE2  TYR  13           HE2      TYR  13  -1.452  -7.475   2.586
   91    HH   TYR  13           HH       TYR  13  -2.857  -8.714   5.198
   92    H    SER  14           H        SER  14  -2.713  -2.934   6.770
   93    HA   SER  14           HA       SER  14   0.001  -1.746   7.039
   94   1HB   SER  14          2HB       SER  14  -2.025  -2.774   9.031
   95   2HB   SER  14          1HB       SER  14  -0.359  -2.439   9.492
   96    HG   SER  14           HG       SER  14  -1.221  -0.508   9.771
   97    H    LYS  15           H        LYS  15  -1.691  -4.838   6.997
   98    HA   LYS  15           HA       LYS  15   0.622  -6.377   7.868
   99   1HB   LYS  15          2HB       LYS  15  -1.400  -7.757   6.224
  100   2HB   LYS  15          1HB       LYS  15  -0.734  -8.205   7.778
  101   1HG   LYS  15          2HG       LYS  15  -2.139  -6.225   8.715
  102   2HG   LYS  15          1HG       LYS  15  -3.028  -6.346   7.196
  103   1HD   LYS  15          2HD       LYS  15  -3.404  -8.778   7.670
  104   2HD   LYS  15          1HD       LYS  15  -2.644  -8.548   9.246
  105   1HE   LYS  15          2HE       LYS  15  -4.926  -6.771   8.416
  106   2HE   LYS  15          1HE       LYS  15  -5.255  -8.383   9.048
  107   1HZ   LYS  15          2HZ       LYS  15  -3.968  -7.834  11.022
  108   2HZ   LYS  15          1HZ       LYS  15  -3.663  -6.277  10.412
  109   3HZ   LYS  15          3HZ       LYS  15  -5.246  -6.736  10.810
  110    HA   PRO  16           HA       PRO  16   2.544  -6.341   3.894
  111   1HB   PRO  16          2HB       PRO  16   4.541  -8.100   4.517
  112   2HB   PRO  16          1HB       PRO  16   4.515  -6.427   5.057
  113   1HG   PRO  16          2HG       PRO  16   4.042  -8.895   6.631
  114   2HG   PRO  16          1HG       PRO  16   4.525  -7.288   7.193
  115   1HD   PRO  16          2HD       PRO  16   1.895  -8.438   7.291
  116   2HD   PRO  16          1HD       PRO  16   2.356  -6.787   7.742
  117    H    PHE  17           H        PHE  17   3.001  -7.786   2.088
  118    HA   PHE  17           HA       PHE  17   2.303 -10.608   2.248
  119   1HB   PHE  17          2HB       PHE  17   0.315 -10.628   0.937
  120   2HB   PHE  17          1HB       PHE  17   0.055  -9.418   2.184
  121    HD1  PHE  17           HD1      PHE  17   0.720  -6.933   1.511
  122    HD2  PHE  17           HD2      PHE  17  -0.106 -10.093  -1.282
  123    HE1  PHE  17           HE1      PHE  17   0.222  -5.256  -0.249
  124    HE2  PHE  17           HE2      PHE  17  -0.599  -8.413  -3.038
  125    HZ   PHE  17           HZ       PHE  17  -0.438  -5.996  -2.518
  126    H    HIS  18           H        HIS  18   2.720 -11.747   0.235
  127    HA   HIS  18           HA       HIS  18   4.977 -10.727  -1.197
  128   1HB   HIS  18          2HB       HIS  18   4.842 -13.055  -0.921
  129   2HB   HIS  18          1HB       HIS  18   3.189 -13.112  -1.523
  130    HD1  HIS  18           HD1      HIS  18   6.751 -13.010  -2.671
  131    HD2  HIS  18           HD2      HIS  18   2.944 -12.866  -4.293
  132    HE1  HIS  18           HE1      HIS  18   7.018 -13.328  -5.178
  133    HA   PRO  19           HA       PRO  19   3.061  -8.201  -4.210
  134   1HB   PRO  19          2HB       PRO  19   5.207  -7.945  -5.889
  135   2HB   PRO  19          1HB       PRO  19   5.050  -7.107  -4.339
  136   1HG   PRO  19          2HG       PRO  19   6.739  -9.463  -5.043
  137   2HG   PRO  19          1HG       PRO  19   7.010  -8.215  -3.816
  138   1HD   PRO  19          2HD       PRO  19   6.058 -10.816  -3.321
  139   2HD   PRO  19          1HD       PRO  19   5.971  -9.454  -2.190
  140    H    LYS  20           H        LYS  20   4.884 -10.942  -5.702
  141    HA   LYS  20           HA       LYS  20   3.870 -10.718  -8.285
  142   1HB   LYS  20          2HB       LYS  20   5.524 -12.473  -7.284
  143   2HB   LYS  20          1HB       LYS  20   4.070 -13.453  -7.191
  144   1HG   LYS  20          2HG       LYS  20   3.651 -12.853  -9.632
  145   2HG   LYS  20          1HG       LYS  20   5.294 -12.211  -9.651
  146   1HD   LYS  20          2HD       LYS  20   6.265 -14.310  -9.377
  147   2HD   LYS  20          1HD       LYS  20   4.831 -14.986  -8.606
  148   1HE   LYS  20          2HE       LYS  20   4.640 -15.960 -10.695
  149   2HE   LYS  20          1HE       LYS  20   3.741 -14.471 -10.981
  150   1HZ   LYS  20          1HZ       LYS  20   6.628 -14.860 -11.566
  151   2HZ   LYS  20          3HZ       LYS  20   5.385 -14.914 -12.717
  152   3HZ   LYS  20          2HZ       LYS  20   5.716 -13.464 -11.896
  153    H    PHE  21           H        PHE  21   2.065 -11.763  -5.469
  154    HA   PHE  21           HA       PHE  21  -0.075 -13.125  -6.771
  155   1HB   PHE  21          2HB       PHE  21  -0.234 -11.372  -4.346
  156   2HB   PHE  21          1HB       PHE  21  -1.400 -12.584  -4.808
  157    HD1  PHE  21           HD2      PHE  21   0.933 -14.554  -5.768
  158    HD2  PHE  21           HD1      PHE  21   0.084 -12.401  -2.146
  159    HE1  PHE  21           HE2      PHE  21   2.195 -16.241  -4.461
  160    HE2  PHE  21           HE1      PHE  21   1.342 -14.090  -0.844
  161    HZ   PHE  21           HZ       PHE  21   2.397 -16.013  -2.001
  162    H    ILE  22           H        ILE  22   0.554  -9.724  -6.110
  163    HA   ILE  22           HA       ILE  22  -1.920  -8.605  -6.965
  164    HB   ILE  22           HB       ILE  22   0.873  -7.425  -7.154
  165   1HG1  ILE  22          2HG1      ILE  22  -1.051  -6.710  -4.985
  166   2HG1  ILE  22          1HG1      ILE  22  -0.261  -8.282  -4.870
  167   1HG2  ILE  22          2HG2      ILE  22  -1.889  -6.318  -7.489
  168   2HG2  ILE  22          1HG2      ILE  22  -0.642  -5.294  -6.780
  169   3HG2  ILE  22          3HG2      ILE  22  -0.424  -5.958  -8.399
  170   1HD1  ILE  22          1HD1      ILE  22   1.859  -6.703  -5.537
  171   2HD1  ILE  22          3HD1      ILE  22   0.890  -5.571  -4.595
  172   3HD1  ILE  22          2HD1      ILE  22   1.413  -7.094  -3.877
  173    H    LYS  23           H        LYS  23  -2.819  -8.830  -8.935
  174    HA   LYS  23           HA       LYS  23  -1.237  -9.521 -11.293
  175   1HB   LYS  23          2HB       LYS  23  -3.672 -10.226 -10.788
  176   2HB   LYS  23          1HB       LYS  23  -4.118  -8.598 -11.298
  177   1HG   LYS  23          2HG       LYS  23  -2.579  -9.202 -13.383
  178   2HG   LYS  23          1HG       LYS  23  -2.991 -10.852 -12.915
  179   1HD   LYS  23          2HD       LYS  23  -5.176 -10.622 -13.532
  180   2HD   LYS  23          1HD       LYS  23  -5.264  -8.951 -12.970
  181   1HE   LYS  23          2HE       LYS  23  -4.573  -8.091 -14.983
  182   2HE   LYS  23          1HE       LYS  23  -3.527  -9.467 -15.333
  183   1HZ   LYS  23          2HZ       LYS  23  -6.496  -9.511 -15.445
  184   2HZ   LYS  23          1HZ       LYS  23  -5.472  -9.378 -16.793
  185   3HZ   LYS  23          3HZ       LYS  23  -5.456 -10.791 -15.854
  186    H    GLU  24           H        GLU  24  -2.604  -6.607  -9.866
  187    HA   GLU  24           HA       GLU  24  -1.149  -4.987 -11.881
  188   1HB   GLU  24          2HB       GLU  24  -4.119  -5.023 -11.482
  189   2HB   GLU  24          1HB       GLU  24  -3.340  -3.474 -11.812
  190   1HG   GLU  24          2HG       GLU  24  -2.489  -4.223 -13.900
  191   2HG   GLU  24          1HG       GLU  24  -2.812  -5.913 -13.516
  192    HA   LEU  25           HA       LEU  25  -0.985  -2.800  -7.963
  193   1HB   LEU  25          2HB       LEU  25   0.976  -4.079  -7.498
  194   2HB   LEU  25          1HB       LEU  25   1.867  -3.333  -8.823
  195    HG   LEU  25           HG       LEU  25   0.841  -1.371  -6.895
  196   1HD1  LEU  25          3HD1      LEU  25   1.674  -3.684  -5.687
  197   2HD1  LEU  25          2HD1      LEU  25   3.178  -2.765  -5.774
  198   3HD1  LEU  25          1HD1      LEU  25   1.771  -2.081  -4.959
  199   1HD2  LEU  25          3HD2      LEU  25   3.001  -1.724  -8.729
  200   2HD2  LEU  25          2HD2      LEU  25   2.573  -0.272  -7.825
  201   3HD2  LEU  25          1HD2      LEU  25   3.700  -1.440  -7.134
  202    NH1  ARG  26           NH1      ARG  26  -7.165   3.344 -10.290
  203    NH2  ARG  26           NH2      ARG  26  -6.167   3.384 -12.325
  204    H    ARG  26           H        ARG  26  -1.862  -0.782  -8.455
  205    HA   ARG  26           HA       ARG  26  -0.009   1.082  -9.857
  206   1HB   ARG  26          2HB       ARG  26  -2.075   2.336 -10.583
  207   2HB   ARG  26          1HB       ARG  26  -1.940   0.720 -11.269
  208   1HG   ARG  26          2HG       ARG  26  -3.894   0.106 -10.336
  209   2HG   ARG  26          1HG       ARG  26  -3.329   0.588  -8.737
  210   1HD   ARG  26          2HD       ARG  26  -4.799   2.294  -8.812
  211   2HD   ARG  26          1HD       ARG  26  -3.827   2.999 -10.102
  212    HE   ARG  26           HE       ARG  26  -5.644   0.987 -11.128
  213   1HH1  ARG  26          2HH1      ARG  26  -7.249   2.951  -9.374
  214   2HH1  ARG  26          1HH1      ARG  26  -7.762   4.098 -10.566
  215   1HH2  ARG  26          1HH2      ARG  26  -5.488   3.022 -12.965
  216   2HH2  ARG  26          2HH2      ARG  26  -6.763   4.138 -12.604
  217    H    VAL  27           H        VAL  27   0.612   2.847  -8.694
  218    HA   VAL  27           HA       VAL  27  -0.732   3.350  -6.090
  219    HB   VAL  27           HB       VAL  27   1.346   4.709  -5.636
  220   1HG1  VAL  27          1HG1      VAL  27   1.110   2.388  -4.852
  221   2HG1  VAL  27          3HG1      VAL  27   1.757   1.803  -6.383
  222   3HG1  VAL  27          2HG1      VAL  27   2.782   2.735  -5.291
  223   1HG2  VAL  27          2HG2      VAL  27   1.811   4.908  -8.192
  224   2HG2  VAL  27          1HG2      VAL  27   3.184   4.686  -7.109
  225   3HG2  VAL  27          3HG2      VAL  27   2.548   3.316  -8.021
  226    H    ILE  28           H        ILE  28  -1.325   5.540  -5.506
  227    HA   ILE  28           HA       ILE  28  -1.639   7.351  -7.875
  228    HB   ILE  28           HB       ILE  28  -3.421   7.050  -5.432
  229   1HG1  ILE  28          2HG1      ILE  28  -3.946   6.525  -8.380
  230   2HG1  ILE  28          1HG1      ILE  28  -3.643   5.273  -7.174
  231   1HG2  ILE  28          3HG2      ILE  28  -3.449   9.004  -7.746
  232   2HG2  ILE  28          2HG2      ILE  28  -4.873   8.689  -6.756
  233   3HG2  ILE  28          1HG2      ILE  28  -3.424   9.372  -6.021
  234   1HD1  ILE  28          2HD1      ILE  28  -5.618   6.217  -5.873
  235   2HD1  ILE  28          1HD1      ILE  28  -5.982   7.190  -7.298
  236   3HD1  ILE  28          3HD1      ILE  28  -6.025   5.430  -7.398
  237    H    GLU  29           H        GLU  29  -0.620   9.294  -7.703
  238    HA   GLU  29           HA       GLU  29   1.060   9.909  -5.467
  239   1HB   GLU  29          2HB       GLU  29   1.270  12.160  -6.598
  240   2HB   GLU  29          1HB       GLU  29   1.669  10.785  -7.613
  241   1HG   GLU  29          2HG       GLU  29  -0.122  11.123  -8.994
  242   2HG   GLU  29          1HG       GLU  29  -1.176  11.611  -7.667
  243    H    SER  30           H        SER  30   0.875  12.198  -4.416
  244    HA   SER  30           HA       SER  30  -1.903  12.444  -3.349
  245   1HB   SER  30          2HB       SER  30  -0.477  13.820  -1.556
  246   2HB   SER  30          1HB       SER  30  -0.664  12.077  -1.454
  247    HG   SER  30           HG       SER  30   1.530  13.628  -2.232
  248    H    GLY  31           H        GLY  31  -2.722  14.572  -2.934
  249   1HA   GLY  31          2HA       GLY  31  -1.352  16.828  -4.307
  250   2HA   GLY  31          1HA       GLY  31  -3.000  16.435  -4.779
  251    HA   PRO  32           HA       PRO  32  -3.450  19.366  -1.267
  252   1HB   PRO  32          2HB       PRO  32  -5.525  20.750  -2.446
  253   2HB   PRO  32          1HB       PRO  32  -3.817  21.161  -2.678
  254   1HG   PRO  32          2HG       PRO  32  -5.690  19.777  -4.551
  255   2HG   PRO  32          1HG       PRO  32  -4.286  20.793  -4.916
  256   1HD   PRO  32          2HD       PRO  32  -4.321  17.986  -5.030
  257   2HD   PRO  32          1HD       PRO  32  -2.858  18.991  -4.951
  258    H    HIS  33           H        HIS  33  -5.749  17.573  -3.227
  259    HA   HIS  33           HA       HIS  33  -7.963  17.477  -1.430
  260   1HB   HIS  33          2HB       HIS  33  -8.660  15.503  -2.775
  261   2HB   HIS  33          1HB       HIS  33  -8.170  16.846  -3.801
  262    HD1  HIS  33           HD1      HIS  33  -5.763  16.668  -4.928
  263    HD2  HIS  33           HD2      HIS  33  -7.043  13.190  -3.022
  264    HE1  HIS  33           HE1      HIS  33  -4.131  14.857  -5.593
  265    H    CYS  34           H        CYS  34  -5.078  15.443  -1.777
  266    HA   CYS  34           HA       CYS  34  -5.478  14.424   0.930
  267   1HB   CYS  34          2HB       CYS  34  -6.375  12.826  -1.107
  268   2HB   CYS  34          1HB       CYS  34  -4.701  12.294  -0.967
  269    H    ALA  35           H        ALA  35  -3.587  15.338   1.676
  270    HA   ALA  35           HA       ALA  35  -1.164  15.554   0.163
  271   1HB   ALA  35          3HB       ALA  35  -1.729  16.930   2.176
  272   2HB   ALA  35          2HB       ALA  35  -1.453  15.507   3.179
  273   3HB   ALA  35          1HB       ALA  35  -0.122  16.208   2.259
  274    H    ASN  36           H        ASN  36  -2.454  12.946   2.138
  275    HA   ASN  36           HA       ASN  36   0.117  11.541   2.287
  276   1HB   ASN  36          2HB       ASN  36  -2.690  10.997   3.200
  277   2HB   ASN  36          1HB       ASN  36  -1.549   9.659   3.089
  278   1HD2  ASN  36          2HD2      ASN  36  -1.161  12.392   6.077
  279   2HD2  ASN  36          1HD2      ASN  36  -2.366  12.563   4.892
  280    H    THR  37           H        THR  37   0.875  10.194   0.731
  281    HA   THR  37           HA       THR  37  -0.633   9.708  -1.707
  282    HB   THR  37           HB       THR  37   1.830   8.142  -0.965
  283    HG1  THR  37           HG1      THR  37   1.786  10.854  -1.806
  284   1HG2  THR  37          3HG2      THR  37   0.695   9.366  -3.486
  285   2HG2  THR  37          2HG2      THR  37   2.320   8.689  -3.400
  286   3HG2  THR  37          1HG2      THR  37   0.920   7.655  -3.123
  287    H    GLU  38           H        GLU  38  -1.246   7.517  -2.500
  288    HA   GLU  38           HA       GLU  38  -1.526   5.480  -0.342
  289   1HB   GLU  38          2HB       GLU  38  -3.637   7.091  -0.999
  290   2HB   GLU  38          1HB       GLU  38  -3.879   5.746  -2.114
  291   1HG   GLU  38          2HG       GLU  38  -5.020   4.999  -0.213
  292   2HG   GLU  38          1HG       GLU  38  -3.432   4.262   0.008
  293    H    ILE  39           H        ILE  39  -1.129   3.438  -1.058
  294    HA   ILE  39           HA       ILE  39  -0.535   3.079  -3.944
  295    HB   ILE  39           HB       ILE  39  -0.051   1.379  -1.476
  296   1HG1  ILE  39          2HG1      ILE  39   2.264   1.993  -3.079
  297   2HG1  ILE  39          1HG1      ILE  39   1.385   3.482  -2.732
  298   1HG2  ILE  39          2HG2      ILE  39   0.401   0.749  -4.398
  299   2HG2  ILE  39          1HG2      ILE  39   1.330  -0.034  -3.120
  300   3HG2  ILE  39          3HG2      ILE  39  -0.421  -0.232  -3.185
  301   1HD1  ILE  39          2HD1      ILE  39   1.482   1.822  -0.368
  302   2HD1  ILE  39          1HD1      ILE  39   3.110   2.078  -0.996
  303   3HD1  ILE  39          3HD1      ILE  39   2.092   3.460  -0.596
  304    H    ILE  40           H        ILE  40  -1.461   1.149  -5.073
  305    HA   ILE  40           HA       ILE  40  -3.897  -0.007  -3.849
  306    HB   ILE  40           HB       ILE  40  -4.018   1.296  -6.586
  307   1HG1  ILE  40          2HG1      ILE  40  -5.294   2.256  -4.006
  308   2HG1  ILE  40          1HG1      ILE  40  -3.810   2.935  -4.667
  309   1HG2  ILE  40          3HG2      ILE  40  -6.083   0.018  -4.764
  310   2HG2  ILE  40          2HG2      ILE  40  -6.477   0.899  -6.241
  311   3HG2  ILE  40          1HG2      ILE  40  -5.536  -0.590  -6.327
  312   1HD1  ILE  40          3HD1      ILE  40  -6.483   2.839  -6.095
  313   2HD1  ILE  40          2HD1      ILE  40  -5.771   4.269  -5.348
  314   3HD1  ILE  40          1HD1      ILE  40  -4.994   3.527  -6.746
  315    H    VAL  41           H        VAL  41  -4.059  -2.121  -4.395
  316    HA   VAL  41           HA       VAL  41  -2.617  -3.101  -6.795
  317    HB   VAL  41           HB       VAL  41  -1.928  -5.066  -5.436
  318   1HG1  VAL  41          3HG1      VAL  41  -0.468  -3.038  -5.807
  319   2HG1  VAL  41          2HG1      VAL  41  -0.965  -2.483  -4.209
  320   3HG1  VAL  41          1HG1      VAL  41  -0.063  -3.987  -4.377
  321   1HG2  VAL  41          2HG2      VAL  41  -3.802  -4.337  -3.650
  322   2HG2  VAL  41          1HG2      VAL  41  -2.406  -5.319  -3.210
  323   3HG2  VAL  41          3HG2      VAL  41  -2.391  -3.582  -2.911
  324    H    LYS  42           H        LYS  42  -3.403  -5.320  -7.411
  325    HA   LYS  42           HA       LYS  42  -6.206  -5.826  -6.527
  326   1HB   LYS  42          2HB       LYS  42  -5.346  -4.955  -9.123
  327   2HB   LYS  42          1HB       LYS  42  -5.934  -6.612  -9.261
  328   1HG   LYS  42          2HG       LYS  42  -7.906  -5.707  -7.749
  329   2HG   LYS  42          1HG       LYS  42  -7.405  -4.145  -8.399
  330   1HD   LYS  42          2HD       LYS  42  -7.525  -5.215 -10.713
  331   2HD   LYS  42          1HD       LYS  42  -8.332  -6.579  -9.940
  332   1HE   LYS  42          2HE       LYS  42 -10.115  -5.203 -10.654
  333   2HE   LYS  42          1HE       LYS  42  -9.939  -4.810  -8.945
  334   1HZ   LYS  42          3HZ       LYS  42  -8.541  -3.278 -11.058
  335   2HZ   LYS  42          2HZ       LYS  42 -10.115  -2.883 -10.554
  336   3HZ   LYS  42          1HZ       LYS  42  -8.827  -2.829  -9.447
  337    H    LEU  43           H        LEU  43  -5.647  -7.630  -5.290
  338    HA   LEU  43           HA       LEU  43  -3.753  -9.615  -5.854
  339   1HB   LEU  43          2HB       LEU  43  -6.364  -9.674  -4.364
  340   2HB   LEU  43          1HB       LEU  43  -5.368 -11.109  -4.498
  341    HG   LEU  43           HG       LEU  43  -4.367  -8.451  -3.439
  342   1HD1  LEU  43          2HD1      LEU  43  -5.339 -10.934  -1.996
  343   2HD1  LEU  43          1HD1      LEU  43  -4.404  -9.654  -1.221
  344   3HD1  LEU  43          3HD1      LEU  43  -6.002  -9.303  -1.878
  345   1HD2  LEU  43          1HD2      LEU  43  -3.191 -11.218  -3.721
  346   2HD2  LEU  43          3HD2      LEU  43  -2.501  -9.673  -4.220
  347   3HD2  LEU  43          2HD2      LEU  43  -2.578 -10.092  -2.509
  348    H    SER  44           H        SER  44  -3.800 -11.556  -6.944
  349    HA   SER  44           HA       SER  44  -5.235 -11.784  -9.354
  350   1HB   SER  44          2HB       SER  44  -4.434 -14.163  -9.353
  351   2HB   SER  44          1HB       SER  44  -3.162 -12.986  -9.043
  352    HG   SER  44           HG       SER  44  -2.950 -13.750  -7.086
  353    H    ASP  45           H        ASP  45  -6.188 -12.734  -6.124
  354    HA   ASP  45           HA       ASP  45  -8.223 -14.606  -6.951
  355   1HB   ASP  45          2HB       ASP  45  -7.649 -13.179  -4.352
  356   2HB   ASP  45          1HB       ASP  45  -9.015 -14.278  -4.545
  357    H    GLY  46           H        GLY  46  -8.111 -11.401  -7.593
  358   1HA   GLY  46          2HA       GLY  46  -9.856 -10.032  -8.422
  359   2HA   GLY  46          1HA       GLY  46 -11.027 -11.186  -7.785
  360    NH1  ARG  47           NH1      ARG  47  -9.878  -8.631   1.547
  361    NH2  ARG  47           NH2      ARG  47 -11.040 -10.551   1.221
  362    H    ARG  47           H        ARG  47  -8.385  -9.772  -5.891
  363    HA   ARG  47           HA       ARG  47 -10.473  -8.455  -4.190
  364   1HB   ARG  47          2HB       ARG  47  -8.914 -10.349  -3.301
  365   2HB   ARG  47          1HB       ARG  47  -7.670  -9.103  -3.296
  366   1HG   ARG  47          2HG       ARG  47  -8.578  -8.991  -1.119
  367   2HG   ARG  47          1HG       ARG  47  -9.394  -7.683  -1.971
  368   1HD   ARG  47          2HD       ARG  47 -11.326  -9.158  -2.397
  369   2HD   ARG  47          1HD       ARG  47 -10.510 -10.472  -1.548
  370    HE   ARG  47           HE       ARG  47 -11.842  -8.189  -0.303
  371   1HH1  ARG  47          2HH1      ARG  47  -9.612  -7.717   1.239
  372   2HH1  ARG  47          1HH1      ARG  47  -9.522  -8.990   2.410
  373   1HH2  ARG  47          1HH2      ARG  47 -11.661 -11.104   0.667
  374   2HH2  ARG  47          2HH2      ARG  47 -10.687 -10.913   2.085
  375    H    GLU  48           H        GLU  48  -9.848  -6.366  -3.226
  376    HA   GLU  48           HA       GLU  48  -7.729  -4.919  -4.763
  377   1HB   GLU  48          2HB       GLU  48 -10.281  -4.435  -5.308
  378   2HB   GLU  48          1HB       GLU  48 -10.189  -3.474  -3.831
  379   1HG   GLU  48          2HG       GLU  48  -8.478  -2.079  -4.716
  380   2HG   GLU  48          1HG       GLU  48  -8.150  -3.193  -6.044
  381    H    LEU  49           H        LEU  49  -6.187  -4.304  -3.321
  382    HA   LEU  49           HA       LEU  49  -7.085  -3.410  -0.603
  383   1HB   LEU  49          2HB       LEU  49  -5.335  -5.632  -1.311
  384   2HB   LEU  49          1HB       LEU  49  -4.516  -4.456  -0.284
  385    HG   LEU  49           HG       LEU  49  -6.757  -4.569   1.109
  386   1HD1  LEU  49          3HD1      LEU  49  -6.688  -7.217  -0.367
  387   2HD1  LEU  49          2HD1      LEU  49  -7.662  -6.900   1.069
  388   3HD1  LEU  49          1HD1      LEU  49  -7.979  -6.017  -0.423
  389   1HD2  LEU  49          1HD2      LEU  49  -4.361  -5.318   1.692
  390   2HD2  LEU  49          3HD2      LEU  49  -5.672  -6.104   2.570
  391   3HD2  LEU  49          2HD2      LEU  49  -4.881  -6.938   1.232
  392    H    CYS  50           H        CYS  50  -6.375  -1.354  -0.221
  393    HA   CYS  50           HA       CYS  50  -4.225  -0.224  -1.878
  394   1HB   CYS  50          2HB       CYS  50  -5.583   1.138   0.386
  395   2HB   CYS  50          1HB       CYS  50  -4.793   1.869  -0.978
  396    H    LEU  51           H        LEU  51  -2.183   0.231  -1.047
  397    HA   LEU  51           HA       LEU  51  -1.594  -1.017   1.552
  398   1HB   LEU  51          2HB       LEU  51   0.320  -0.137  -0.593
  399   2HB   LEU  51          1HB       LEU  51   0.699  -1.091   0.820
  400    HG   LEU  51           HG       LEU  51  -0.826  -1.905  -1.634
  401   1HD1  LEU  51          1HD1      LEU  51   1.650  -2.352  -1.207
  402   2HD1  LEU  51          3HD1      LEU  51   1.131  -3.438   0.082
  403   3HD1  LEU  51          2HD1      LEU  51   0.665  -3.765  -1.588
  404   1HD2  LEU  51          2HD2      LEU  51  -1.111  -3.062   1.153
  405   2HD2  LEU  51          1HD2      LEU  51  -2.398  -2.532   0.071
  406   3HD2  LEU  51          3HD2      LEU  51  -1.479  -3.990  -0.299
  407    H    ASP  52           H        ASP  52  -0.187  -0.031   3.018
  408    HA   ASP  52           HA       ASP  52  -0.393   2.936   3.071
  409   1HB   ASP  52          2HB       ASP  52  -1.355   1.575   4.964
  410   2HB   ASP  52          1HB       ASP  52   0.270   1.005   5.316
  411    HA   PRO  53           HA       PRO  53   3.961   2.697   2.037
  412   1HB   PRO  53          2HB       PRO  53   4.285   5.424   1.799
  413   2HB   PRO  53          1HB       PRO  53   3.643   4.380   0.520
  414   1HG   PRO  53          2HG       PRO  53   2.173   6.237   2.349
  415   2HG   PRO  53          1HG       PRO  53   1.785   5.754   0.689
  416   1HD   PRO  53          2HD       PRO  53   0.534   4.734   2.971
  417   2HD   PRO  53          1HD       PRO  53   0.548   3.940   1.382
  418    H    LYS  54           H        LYS  54   2.506   3.863   4.874
  419    HA   LYS  54           HA       LYS  54   4.690   5.182   6.129
  420   1HB   LYS  54          2HB       LYS  54   2.054   4.352   6.842
  421   2HB   LYS  54          1HB       LYS  54   3.161   3.772   8.084
  422   1HG   LYS  54          2HG       LYS  54   3.871   5.925   8.645
  423   2HG   LYS  54          1HG       LYS  54   3.408   6.592   7.079
  424   1HD   LYS  54          2HD       LYS  54   1.085   6.532   7.628
  425   2HD   LYS  54          1HD       LYS  54   1.373   5.519   9.043
  426   1HE   LYS  54          2HE       LYS  54   1.194   7.572  10.087
  427   2HE   LYS  54          1HE       LYS  54   2.924   7.574   9.746
  428   1HZ   LYS  54          2HZ       LYS  54   0.838   8.772   8.002
  429   2HZ   LYS  54          1HZ       LYS  54   1.846   9.640   9.059
  430   3HZ   LYS  54          3HZ       LYS  54   2.515   8.818   7.736
  431    H    GLU  55           H        GLU  55   3.991   1.769   5.568
  432    HA   GLU  55           HA       GLU  55   5.961   0.865   7.546
  433   1HB   GLU  55          2HB       GLU  55   4.311  -0.543   5.437
  434   2HB   GLU  55          1HB       GLU  55   5.508  -1.373   6.411
  435   1HG   GLU  55          2HG       GLU  55   3.525  -1.710   7.613
  436   2HG   GLU  55          1HG       GLU  55   4.271  -0.351   8.441
  437    H    ASN  56           H        ASN  56   7.677  -0.696   6.677
  438    HA   ASN  56           HA       ASN  56   9.097   0.637   4.448
  439   1HB   ASN  56          2HB       ASN  56   9.889  -0.651   6.873
  440   2HB   ASN  56          1HB       ASN  56  10.663  -1.441   5.505
  441   1HD2  ASN  56          2HD2      ASN  56  12.610   1.427   4.613
  442   2HD2  ASN  56          1HD2      ASN  56  11.967  -0.030   4.027
  443    CH2  TRP  57           CH2      TRP  57   1.675  -4.434   2.416
  444    H    TRP  57           H        TRP  57   7.250  -2.199   5.099
  445    HA   TRP  57           HA       TRP  57   8.471  -3.781   3.003
  446   1HB   TRP  57          2HB       TRP  57   6.900  -5.467   3.572
  447   2HB   TRP  57          1HB       TRP  57   7.376  -4.734   5.075
  448    HD1  TRP  57           HD1      TRP  57   5.568  -3.672   6.490
  449    HE1  TRP  57           HE1      TRP  57   3.020  -3.467   6.294
  450    HE3  TRP  57           HE3      TRP  57   4.934  -5.061   1.638
  451    HZ2  TRP  57           HZ2      TRP  57   0.971  -3.779   4.343
  452    HZ3  TRP  57           HZ3      TRP  57   2.677  -5.076   0.627
  453    HH2  TRP  57           HH2      TRP  57   0.692  -4.446   1.968
  454    H    VAL  58           H        VAL  58   5.600  -1.764   3.401
  455    HA   VAL  58           HA       VAL  58   4.372  -2.413   0.889
  456    HB   VAL  58           HB       VAL  58   4.226  -0.104   2.799
  457   1HG1  VAL  58          2HG1      VAL  58   3.146  -0.152  -0.015
  458   2HG1  VAL  58          1HG1      VAL  58   2.386   0.812   1.251
  459   3HG1  VAL  58          3HG1      VAL  58   4.057   1.130   0.785
  460   1HG2  VAL  58          3HG2      VAL  58   2.418  -2.268   1.792
  461   2HG2  VAL  58          2HG2      VAL  58   2.812  -1.831   3.454
  462   3HG2  VAL  58          1HG2      VAL  58   1.726  -0.814   2.508
  463    H    GLN  59           H        GLN  59   6.763   0.078   1.806
  464    HA   GLN  59           HA       GLN  59   6.939   1.143  -0.875
  465   1HB   GLN  59          2HB       GLN  59   8.818   2.436  -0.023
  466   2HB   GLN  59          1HB       GLN  59   7.474   2.501   1.113
  467   1HG   GLN  59          2HG       GLN  59   8.494   0.697   2.420
  468   2HG   GLN  59          1HG       GLN  59   9.839   0.631   1.289
  469   1HE2  GLN  59          2HE2      GLN  59  11.512   3.401   2.721
  470   2HE2  GLN  59          1HE2      GLN  59  11.527   2.188   1.533
  471    NH1  ARG  60           NH2      ARG  60  13.758  -6.907  -0.889
  472    NH2  ARG  60           NH1      ARG  60  13.775  -7.373   1.330
  473    H    ARG  60           H        ARG  60   8.505  -1.481   0.828
  474    HA   ARG  60           HA       ARG  60  10.691  -1.706  -1.124
  475   1HB   ARG  60          2HB       ARG  60  10.561  -2.511   1.424
  476   2HB   ARG  60          1HB       ARG  60   9.931  -3.977   0.675
  477   1HG   ARG  60          2HG       ARG  60  11.948  -3.896  -0.882
  478   2HG   ARG  60          1HG       ARG  60  12.602  -2.646   0.177
  479   1HD   ARG  60          2HD       ARG  60  13.512  -4.434   1.273
  480   2HD   ARG  60          1HD       ARG  60  11.917  -4.517   2.021
  481    HE   ARG  60           HE       ARG  60  11.344  -6.214   0.223
  482   1HH1  ARG  60          1HH2      ARG  60  13.364  -6.420  -1.669
  483   2HH1  ARG  60          2HH2      ARG  60  14.533  -7.525  -1.026
  484   1HH2  ARG  60          2HH1      ARG  60  13.394  -7.242   2.246
  485   2HH2  ARG  60          1HH1      ARG  60  14.551  -7.991   1.196
  486    H    VAL  61           H        VAL  61   7.625  -3.319  -0.360
  487    HA   VAL  61           HA       VAL  61   7.797  -5.335  -2.397
  488    HB   VAL  61           HB       VAL  61   5.479  -4.084  -0.904
  489   1HG1  VAL  61          3HG1      VAL  61   4.684  -4.868  -3.104
  490   2HG1  VAL  61          2HG1      VAL  61   5.420  -6.441  -2.800
  491   3HG1  VAL  61          1HG1      VAL  61   4.076  -5.890  -1.801
  492   1HG2  VAL  61          2HG2      VAL  61   7.060  -5.520   0.367
  493   2HG2  VAL  61          1HG2      VAL  61   5.456  -6.243   0.260
  494   3HG2  VAL  61          3HG2      VAL  61   6.759  -6.830  -0.772
  495    H    VAL  62           H        VAL  62   6.418  -2.048  -2.364
  496    HA   VAL  62           HA       VAL  62   5.367  -2.194  -5.057
  497    HB   VAL  62           HB       VAL  62   6.084   0.171  -3.292
  498   1HG1  VAL  62          1HG1      VAL  62   4.711   0.060  -5.993
  499   2HG1  VAL  62          3HG1      VAL  62   4.628   1.454  -4.917
  500   3HG1  VAL  62          2HG1      VAL  62   6.180   0.943  -5.578
  501   1HG2  VAL  62          1HG2      VAL  62   4.138  -1.523  -2.786
  502   2HG2  VAL  62          3HG2      VAL  62   3.821   0.208  -2.685
  503   3HG2  VAL  62          2HG2      VAL  62   3.322  -0.697  -4.113
  504    H    GLU  63           H        GLU  63   8.458  -1.110  -3.659
  505    HA   GLU  63           HA       GLU  63   9.549  -0.061  -6.080
  506   1HB   GLU  63          2HB       GLU  63  10.631  -0.879  -3.424
  507   2HB   GLU  63          1HB       GLU  63  11.776  -0.737  -4.755
  508   1HG   GLU  63          2HG       GLU  63  11.126   1.558  -5.161
  509   2HG   GLU  63          1HG       GLU  63   9.804   1.436  -3.999
  510    H    LYS  64           H        LYS  64   9.788  -3.284  -4.541
  511    HA   LYS  64           HA       LYS  64  11.509  -4.392  -6.541
  512   1HB   LYS  64          2HB       LYS  64  10.774  -5.254  -4.121
  513   2HB   LYS  64          1HB       LYS  64   9.602  -6.159  -5.080
  514   1HG   LYS  64          2HG       LYS  64  11.429  -7.080  -6.456
  515   2HG   LYS  64          1HG       LYS  64  12.605  -6.169  -5.509
  516   1HD   LYS  64          2HD       LYS  64  12.099  -7.415  -3.520
  517   2HD   LYS  64          1HD       LYS  64  10.690  -8.162  -4.274
  518   1HE   LYS  64          2HE       LYS  64  12.493  -8.989  -6.041
  519   2HE   LYS  64          1HE       LYS  64  13.598  -8.749  -4.688
  520   1HZ   LYS  64          1HZ       LYS  64  11.124 -10.395  -4.617
  521   2HZ   LYS  64          3HZ       LYS  64  12.704 -11.001  -4.739
  522   3HZ   LYS  64          2HZ       LYS  64  12.216 -10.181  -3.332
  523    H    PHE  65           H        PHE  65   8.030  -3.963  -6.328
  524    HA   PHE  65           HA       PHE  65   7.384  -5.803  -8.485
  525   1HB   PHE  65          2HB       PHE  65   5.912  -4.812  -6.523
  526   2HB   PHE  65          1HB       PHE  65   5.619  -3.520  -7.679
  527    HD1  PHE  65           HD2      PHE  65   5.721  -7.281  -7.574
  528    HD2  PHE  65           HD1      PHE  65   3.822  -3.760  -9.135
  529    HE1  PHE  65           HE2      PHE  65   4.049  -8.696  -8.737
  530    HE2  PHE  65           HE1      PHE  65   2.150  -5.174 -10.298
  531    HZ   PHE  65           HZ       PHE  65   2.265  -7.643 -10.099
  532    H    LEU  66           H        LEU  66   7.757  -2.258  -8.192
  533    HA   LEU  66           HA       LEU  66   7.180  -1.788 -11.011
  534   1HB   LEU  66          2HB       LEU  66   8.187  -0.100  -8.734
  535   2HB   LEU  66          1HB       LEU  66   8.276   0.510 -10.387
  536    HG   LEU  66           HG       LEU  66   5.709  -0.645  -9.303
  537   1HD1  LEU  66          3HD1      LEU  66   6.582   1.202  -7.800
  538   2HD1  LEU  66          2HD1      LEU  66   6.491   2.280  -9.194
  539   3HD1  LEU  66          1HD1      LEU  66   5.024   1.537  -8.554
  540   1HD2  LEU  66          1HD2      LEU  66   6.427   1.333 -11.491
  541   2HD2  LEU  66          3HD2      LEU  66   5.823  -0.309 -11.711
  542   3HD2  LEU  66          2HD2      LEU  66   4.775   0.931 -11.024
  543    H    LYS  67           H        LYS  67  10.176  -1.686  -9.049
  544    HA   LYS  67           HA       LYS  67  12.386  -2.169  -9.646
  545   1HB   LYS  67          2HB       LYS  67  10.966  -3.754 -11.383
  546   2HB   LYS  67          1HB       LYS  67  11.890  -2.746 -12.495
  547   1HG   LYS  67          2HG       LYS  67  13.687  -4.039 -12.099
  548   2HG   LYS  67          1HG       LYS  67  13.680  -3.472 -10.429
  549   1HD   LYS  67          2HD       LYS  67  12.603  -5.354  -9.645
  550   2HD   LYS  67          1HD       LYS  67  11.740  -5.621 -11.161
  551   1HE   LYS  67          2HE       LYS  67  13.908  -6.299 -12.217
  552   2HE   LYS  67          1HE       LYS  67  14.677  -6.163 -10.635
  553   1HZ   LYS  67          1HZ       LYS  67  12.384  -7.939 -11.286
  554   2HZ   LYS  67          3HZ       LYS  67  13.997  -8.438 -11.118
  555   3HZ   LYS  67          2HZ       LYS  67  13.157  -7.821  -9.777
  556    NH1  ARG  68           NH1      ARG  68  17.315  -1.199 -17.081
  557    NH2  ARG  68           NH2      ARG  68  15.622  -2.393 -18.001
  558    H    ARG  68           H        ARG  68  11.043  -0.907 -12.739
  559    HA   ARG  68           HA       ARG  68  12.996   1.350 -12.492
  560   1HB   ARG  68          2HB       ARG  68  11.827   0.013 -14.950
  561   2HB   ARG  68          1HB       ARG  68  12.811   1.475 -15.000
  562   1HG   ARG  68          2HG       ARG  68  14.575   0.138 -13.692
  563   2HG   ARG  68          1HG       ARG  68  13.633  -1.294 -14.112
  564   1HD   ARG  68          2HD       ARG  68  13.764  -0.335 -16.550
  565   2HD   ARG  68          1HD       ARG  68  15.138   0.575 -15.923
  566    HE   ARG  68           HE       ARG  68  15.426  -2.183 -15.200
  567   1HH1  ARG  68          2HH1      ARG  68  17.689  -0.673 -16.316
  568   2HH1  ARG  68          1HH1      ARG  68  17.864  -1.337 -17.906
  569   1HH2  ARG  68          1HH2      ARG  68  14.702  -2.780 -17.939
  570   2HH2  ARG  68          2HH2      ARG  68  16.167  -2.534 -18.827
  571    H    ALA  69           H        ALA  69  12.204   3.328 -13.842
  572    HA   ALA  69           HA       ALA  69   9.255   3.705 -13.589
  573   1HB   ALA  69          2HB       ALA  69  10.731   4.639 -11.616
  574   2HB   ALA  69          1HB       ALA  69  11.118   5.917 -12.769
  575   3HB   ALA  69          3HB       ALA  69   9.443   5.637 -12.290
  576    H    GLU  70           H        GLU  70   8.772   6.056 -14.607
  577    HA   GLU  70           HA       GLU  70   9.917   5.950 -17.323
  578   1HB   GLU  70          2HB       GLU  70   7.667   7.535 -16.065
  579   2HB   GLU  70          1HB       GLU  70   8.228   7.845 -17.707
  580   1HG   GLU  70          2HG       GLU  70   7.842   5.412 -18.225
  581   2HG   GLU  70          1HG       GLU  70   7.104   5.245 -16.630
  582    H    ASN  71           H        ASN  71   9.176   8.820 -15.309
  583    HA   ASN  71           HA       ASN  71  11.930   9.707 -15.207
  584   1HB   ASN  71          2HB       ASN  71  11.580  11.753 -16.656
  585   2HB   ASN  71          1HB       ASN  71  11.658  10.232 -17.542
  586   1HD2  ASN  71          2HD2      ASN  71   8.267  10.390 -18.635
  587   2HD2  ASN  71          1HD2      ASN  71   9.630   9.393 -18.472
  588    H    SER  72           H        SER  72   8.511  10.786 -15.148
  589    HA   SER  72           HA       SER  72   9.147  12.228 -12.609
  590   1HB   SER  72          2HB       SER  72   7.539  14.016 -13.319
  591   2HB   SER  72          1HB       SER  72   8.978  13.937 -14.329
  592    HG   SER  72           HG       SER  72   7.087  14.064 -15.587
  593   1HC   CH3  25          1H        LEU  25   0.259  -3.929 -11.817
  594   2HC   CH3  25          2H        LEU  25  -0.361  -2.305 -11.533
  595   3HC   CH3  25          3H        LEU  25   1.188  -2.791 -10.844
   
  Start of MODEL          14
 Raw file had  595 H/Q atoms
  Start of MODEL   14
    1   1H    GLU   4          1H        GLU   4 -10.288  17.383  -5.750
    2   2H    GLU   4          3H        GLU   4  -8.652  17.052  -6.055
    3   3H    GLU   4          2H        GLU   4  -9.391  18.407  -6.765
    4    HA   GLU   4           HA       GLU   4 -10.719  17.087  -8.183
    5   1HB   GLU   4          2HB       GLU   4  -7.851  16.129  -7.994
    6   2HB   GLU   4          1HB       GLU   4  -8.929  15.645  -9.302
    7   1HG   GLU   4          2HG       GLU   4  -8.485  18.552  -8.608
    8   2HG   GLU   4          1HG       GLU   4  -7.427  17.695  -9.728
    9    H    LEU   5           H        LEU   5  -8.659  14.804  -6.317
   10    HA   LEU   5           HA       LEU   5 -11.035  13.091  -5.863
   11   1HB   LEU   5          2HB       LEU   5  -9.964  12.334  -8.009
   12   2HB   LEU   5          1HB       LEU   5  -8.486  12.010  -7.105
   13    HG   LEU   5           HG       LEU   5 -10.751  10.808  -5.762
   14   1HD1  LEU   5          3HD1      LEU   5 -10.424  10.287  -8.716
   15   2HD1  LEU   5          2HD1      LEU   5 -11.033   9.031  -7.636
   16   3HD1  LEU   5          1HD1      LEU   5 -11.909  10.554  -7.802
   17   1HD2  LEU   5          3HD2      LEU   5  -8.222  10.286  -5.699
   18   2HD2  LEU   5          2HD2      LEU   5  -9.324   8.910  -5.728
   19   3HD2  LEU   5          1HD2      LEU   5  -8.493   9.406  -7.202
   20    NH1  ARG   6           NH1      ARG   6 -13.327  12.251   1.629
   21    NH2  ARG   6           NH2      ARG   6 -13.710  14.276   2.575
   22    H    ARG   6           H        ARG   6 -10.971  12.949  -3.664
   23    HA   ARG   6           HA       ARG   6  -8.586  13.238  -2.089
   24   1HB   ARG   6          2HB       ARG   6 -11.419  12.416  -1.561
   25   2HB   ARG   6          1HB       ARG   6 -10.211  12.111  -0.316
   26   1HG   ARG   6          2HG       ARG   6  -9.718  14.397  -0.054
   27   2HG   ARG   6          1HG       ARG   6 -10.407  14.819  -1.622
   28   1HD   ARG   6          2HD       ARG   6 -12.029  15.550  -0.057
   29   2HD   ARG   6          1HD       ARG   6 -12.656  14.011  -0.649
   30    HE   ARG   6           HE       ARG   6 -11.031  13.937   1.828
   31   1HH1  ARG   6          2HH1      ARG   6 -12.758  11.652   1.066
   32   2HH1  ARG   6          1HH1      ARG   6 -14.173  11.901   2.031
   33   1HH2  ARG   6          1HH2      ARG   6 -13.432  15.224   2.735
   34   2HH2  ARG   6          2HH2      ARG   6 -14.557  13.930   2.980
   35    H    CYS   7           H        CYS   7  -8.359  11.270  -0.273
   36    HA   CYS   7           HA       CYS   7  -6.994   9.176  -1.651
   37   1HB   CYS   7          2HB       CYS   7  -7.878   9.581   1.192
   38   2HB   CYS   7          1HB       CYS   7  -7.214   8.032   0.693
   39    H    GLN   8           H        GLN   8  -7.881   7.531  -2.761
   40    HA   GLN   8           HA       GLN   8 -10.677   6.889  -2.701
   41   1HB   GLN   8          2HB       GLN   8  -8.825   6.440  -4.523
   42   2HB   GLN   8          1HB       GLN   8  -8.620   4.918  -3.653
   43   1HG   GLN   8          2HG       GLN   8 -10.876   4.267  -4.047
   44   2HG   GLN   8          1HG       GLN   8 -11.337   5.894  -4.552
   45   1HE2  GLN   8          2HE2      GLN   8  -9.639   3.354  -7.246
   46   2HE2  GLN   8          1HE2      GLN   8  -9.814   2.899  -5.620
   47    H    CYS   9           H        CYS   9  -8.079   5.946  -0.615
   48    HA   CYS   9           HA       CYS   9  -9.849   3.846   0.567
   49   1HB   CYS   9          2HB       CYS   9  -7.041   3.667  -0.298
   50   2HB   CYS   9          1HB       CYS   9  -7.318   3.096   1.345
   51    H    ILE  10           H        ILE  10 -10.639   4.918   2.339
   52    HA   ILE  10           HA       ILE  10  -9.140   6.849   3.875
   53    HB   ILE  10           HB       ILE  10 -11.558   5.187   4.677
   54   1HG1  ILE  10          2HG1      ILE  10 -11.855   8.061   4.055
   55   2HG1  ILE  10          1HG1      ILE  10 -11.402   7.067   2.672
   56   1HG2  ILE  10          1HG2      ILE  10 -10.245   7.626   5.904
   57   2HG2  ILE  10          3HG2      ILE  10 -11.896   7.137   6.283
   58   3HG2  ILE  10          2HG2      ILE  10 -10.549   6.067   6.668
   59   1HD1  ILE  10          2HD1      ILE  10 -13.292   5.471   3.502
   60   2HD1  ILE  10          1HD1      ILE  10 -13.857   6.878   4.402
   61   3HD1  ILE  10          3HD1      ILE  10 -13.745   6.944   2.643
   62    H    LYS  11           H        LYS  11  -9.571   3.360   4.035
   63    HA   LYS  11           HA       LYS  11  -7.627   3.248   6.309
   64   1HB   LYS  11          2HB       LYS  11  -8.573   0.913   6.668
   65   2HB   LYS  11          1HB       LYS  11  -9.696   2.226   7.016
   66   1HG   LYS  11          2HG       LYS  11 -10.774   1.938   4.846
   67   2HG   LYS  11          1HG       LYS  11  -9.592   0.713   4.388
   68   1HD   LYS  11          2HD       LYS  11 -10.388  -0.803   6.078
   69   2HD   LYS  11          1HD       LYS  11 -11.405   0.446   6.797
   70   1HE   LYS  11          2HE       LYS  11 -12.924  -0.803   5.499
   71   2HE   LYS  11          1HE       LYS  11 -12.536   0.570   4.463
   72   1HZ   LYS  11          2HZ       LYS  11 -11.189  -2.076   4.339
   73   2HZ   LYS  11          1HZ       LYS  11 -12.433  -1.574   3.296
   74   3HZ   LYS  11          3HZ       LYS  11 -10.943  -0.763   3.287
   75    H    THR  12           H        THR  12  -5.664   2.334   5.801
   76    HA   THR  12           HA       THR  12  -5.435   1.065   3.114
   77    HB   THR  12           HB       THR  12  -2.855   1.452   3.946
   78    HG1  THR  12           HG1      THR  12  -3.302   2.642   5.717
   79   1HG2  THR  12          2HG2      THR  12  -4.703   3.307   2.440
   80   2HG2  THR  12          1HG2      THR  12  -2.945   3.442   2.445
   81   3HG2  THR  12          3HG2      THR  12  -3.719   2.011   1.762
   82    OH   TYR  13           OH       TYR  13  -3.021  -8.524   4.317
   83    H    TYR  13           H        TYR  13  -3.240  -0.378   3.207
   84    HA   TYR  13           HA       TYR  13  -3.961  -2.612   5.004
   85   1HB   TYR  13          2HB       TYR  13  -3.560  -2.729   2.415
   86   2HB   TYR  13          1HB       TYR  13  -1.857  -2.707   2.859
   87    HD1  TYR  13           HD2      TYR  13  -4.432  -4.239   5.000
   88    HD2  TYR  13           HD1      TYR  13  -1.390  -4.910   2.049
   89    HE1  TYR  13           HE2      TYR  13  -4.498  -6.676   5.496
   90    HE2  TYR  13           HE1      TYR  13  -1.455  -7.353   2.537
   91    HH   TYR  13           HH       TYR  13  -3.710  -8.916   3.774
   92    H    SER  14           H        SER  14  -2.720  -3.139   6.727
   93    HA   SER  14           HA       SER  14  -0.095  -1.756   7.053
   94   1HB   SER  14          2HB       SER  14  -1.934  -3.058   9.080
   95   2HB   SER  14          1HB       SER  14  -0.355  -2.381   9.468
   96    HG   SER  14           HG       SER  14  -1.097  -0.388   9.065
   97    H    LYS  15           H        LYS  15  -1.654  -4.934   7.043
   98    HA   LYS  15           HA       LYS  15   0.750  -6.371   7.799
   99   1HB   LYS  15          2HB       LYS  15  -1.239  -7.804   6.156
  100   2HB   LYS  15          1HB       LYS  15  -0.502  -8.271   7.668
  101   1HG   LYS  15          2HG       LYS  15  -1.977  -6.442   8.750
  102   2HG   LYS  15          1HG       LYS  15  -2.893  -6.489   7.242
  103   1HD   LYS  15          2HD       LYS  15  -3.198  -8.943   7.536
  104   2HD   LYS  15          1HD       LYS  15  -2.363  -8.838   9.085
  105   1HE   LYS  15          2HE       LYS  15  -4.079  -7.487  10.036
  106   2HE   LYS  15          1HE       LYS  15  -4.804  -7.166   8.461
  107   1HZ   LYS  15          2HZ       LYS  15  -4.666  -9.823   9.785
  108   2HZ   LYS  15          1HZ       LYS  15  -6.045  -8.835   9.703
  109   3HZ   LYS  15          3HZ       LYS  15  -5.391  -9.495   8.284
  110    HA   PRO  16           HA       PRO  16   2.614  -6.165   3.806
  111   1HB   PRO  16          2HB       PRO  16   4.704  -7.833   4.373
  112   2HB   PRO  16          1HB       PRO  16   4.604  -6.175   4.947
  113   1HG   PRO  16          2HG       PRO  16   4.266  -8.695   6.477
  114   2HG   PRO  16          1HG       PRO  16   4.683  -7.077   7.065
  115   1HD   PRO  16          2HD       PRO  16   2.109  -8.345   7.174
  116   2HD   PRO  16          1HD       PRO  16   2.498  -6.682   7.646
  117    H    PHE  17           H        PHE  17   3.135  -7.573   1.975
  118    HA   PHE  17           HA       PHE  17   2.567 -10.422   2.119
  119   1HB   PHE  17          2HB       PHE  17   0.558 -10.528   0.858
  120   2HB   PHE  17          1HB       PHE  17   0.268  -9.315   2.094
  121    HD1  PHE  17           HD2      PHE  17   0.645  -6.824   1.429
  122    HD2  PHE  17           HD1      PHE  17   0.266 -10.031  -1.405
  123    HE1  PHE  17           HE2      PHE  17   0.068  -5.192  -0.351
  124    HE2  PHE  17           HE1      PHE  17  -0.312  -8.400  -3.177
  125    HZ   PHE  17           HZ       PHE  17  -0.413  -5.983  -2.649
  126    H    HIS  18           H        HIS  18   2.909 -11.505   0.024
  127    HA   HIS  18           HA       HIS  18   5.140 -10.379  -1.393
  128   1HB   HIS  18          2HB       HIS  18   5.107 -12.716  -1.130
  129   2HB   HIS  18          1HB       HIS  18   3.459 -12.839  -1.731
  130    HD1  HIS  18           HD1      HIS  18   7.011 -12.553  -2.880
  131    HD2  HIS  18           HD2      HIS  18   3.202 -12.587  -4.496
  132    HE1  HIS  18           HE1      HIS  18   7.290 -12.836  -5.392
  133    HA   PRO  19           HA       PRO  19   3.088  -7.908  -4.368
  134   1HB   PRO  19          2HB       PRO  19   5.219  -7.540  -6.051
  135   2HB   PRO  19          1HB       PRO  19   5.024  -6.720  -4.495
  136   1HG   PRO  19          2HG       PRO  19   6.825  -8.989  -5.213
  137   2HG   PRO  19          1HG       PRO  19   7.035  -7.741  -3.975
  138   1HD   PRO  19          2HD       PRO  19   6.208 -10.386  -3.507
  139   2HD   PRO  19          1HD       PRO  19   6.056  -9.040  -2.364
  140    H    LYS  20           H        LYS  20   5.028 -10.553  -5.877
  141    HA   LYS  20           HA       LYS  20   4.011 -10.350  -8.463
  142   1HB   LYS  20          2HB       LYS  20   5.743 -12.031  -7.441
  143   2HB   LYS  20          1HB       LYS  20   4.339 -13.087  -7.414
  144   1HG   LYS  20          2HG       LYS  20   4.020 -12.909  -9.767
  145   2HG   LYS  20          1HG       LYS  20   5.134 -11.545  -9.880
  146   1HD   LYS  20          2HD       LYS  20   6.514 -13.270 -10.594
  147   2HD   LYS  20          1HD       LYS  20   6.857 -13.282  -8.864
  148   1HE   LYS  20          2HE       LYS  20   5.346 -15.119  -8.495
  149   2HE   LYS  20          1HE       LYS  20   4.717 -15.006 -10.138
  150   1HZ   LYS  20          3HZ       LYS  20   7.514 -15.696  -9.409
  151   2HZ   LYS  20          2HZ       LYS  20   6.324 -16.800  -9.912
  152   3HZ   LYS  20          1HZ       LYS  20   6.890 -15.610 -10.985
  153    H    PHE  21           H        PHE  21   2.257 -11.533  -5.663
  154    HA   PHE  21           HA       PHE  21   0.194 -12.978  -7.005
  155   1HB   PHE  21          2HB       PHE  21  -0.093 -11.293  -4.545
  156   2HB   PHE  21          1HB       PHE  21  -1.157 -12.584  -5.036
  157    HD1  PHE  21           HD2      PHE  21   1.298 -14.372  -6.003
  158    HD2  PHE  21           HD1      PHE  21   0.319 -12.306  -2.364
  159    HE1  PHE  21           HE2      PHE  21   2.678 -15.977  -4.712
  160    HE2  PHE  21           HE1      PHE  21   1.695 -13.914  -1.078
  161    HZ   PHE  21           HZ       PHE  21   2.873 -15.753  -2.253
  162    H    ILE  22           H        ILE  22   0.653  -9.565  -6.273
  163    HA   ILE  22           HA       ILE  22  -1.884  -8.569  -7.091
  164    HB   ILE  22           HB       ILE  22   0.854  -7.251  -7.169
  165   1HG1  ILE  22          2HG1      ILE  22   0.292  -7.938  -4.918
  166   2HG1  ILE  22          1HG1      ILE  22   0.007  -6.203  -5.029
  167   1HG2  ILE  22          1HG2      ILE  22  -1.901  -6.264  -7.740
  168   2HG2  ILE  22          3HG2      ILE  22  -0.825  -5.199  -6.838
  169   3HG2  ILE  22          2HG2      ILE  22  -0.361  -5.769  -8.440
  170   1HD1  ILE  22          3HD1      ILE  22  -2.435  -6.848  -5.624
  171   2HD1  ILE  22          2HD1      ILE  22  -2.020  -8.438  -4.986
  172   3HD1  ILE  22          1HD1      ILE  22  -1.928  -7.020  -3.944
  173    H    LYS  23           H        LYS  23  -2.788  -8.710  -9.047
  174    HA   LYS  23           HA       LYS  23  -1.176  -9.235 -11.445
  175   1HB   LYS  23          2HB       LYS  23  -3.596 -10.098 -10.821
  176   2HB   LYS  23          1HB       LYS  23  -4.105  -8.562 -11.521
  177   1HG   LYS  23          2HG       LYS  23  -2.979  -9.096 -13.617
  178   2HG   LYS  23          1HG       LYS  23  -2.328 -10.581 -12.924
  179   1HD   LYS  23          2HD       LYS  23  -5.297 -10.127 -12.904
  180   2HD   LYS  23          1HD       LYS  23  -4.517 -10.674 -14.388
  181   1HE   LYS  23          2HE       LYS  23  -3.371 -12.426 -12.766
  182   2HE   LYS  23          1HE       LYS  23  -4.773 -12.083 -11.753
  183   1HZ   LYS  23          1HZ       LYS  23  -6.206 -12.614 -13.634
  184   2HZ   LYS  23          3HZ       LYS  23  -4.849 -12.971 -14.588
  185   3HZ   LYS  23          2HZ       LYS  23  -5.210 -13.929 -13.232
  186    H    GLU  24           H        GLU  24  -2.773  -6.514  -9.888
  187    HA   GLU  24           HA       GLU  24  -1.604  -4.713 -11.948
  188   1HB   GLU  24          2HB       GLU  24  -4.502  -4.853 -11.121
  189   2HB   GLU  24          1HB       GLU  24  -3.805  -3.341 -11.702
  190   1HG   GLU  24          2HG       GLU  24  -3.588  -5.941 -13.240
  191   2HG   GLU  24          1HG       GLU  24  -4.904  -4.793 -13.485
  192    HA   LEU  25           HA       LEU  25  -1.138  -2.679  -7.963
  193   1HB   LEU  25          2HB       LEU  25   0.861  -4.038  -7.772
  194   2HB   LEU  25          1HB       LEU  25   1.683  -3.084  -9.008
  195    HG   LEU  25           HG       LEU  25   0.617  -1.504  -6.747
  196   1HD1  LEU  25          1HD1      LEU  25   1.536  -3.764  -5.811
  197   2HD1  LEU  25          3HD1      LEU  25   3.113  -3.087  -6.219
  198   3HD1  LEU  25          2HD1      LEU  25   2.062  -2.249  -5.076
  199   1HD2  LEU  25          2HD2      LEU  25   2.800  -1.473  -8.694
  200   2HD2  LEU  25          1HD2      LEU  25   2.056  -0.130  -7.827
  201   3HD2  LEU  25          3HD2      LEU  25   3.354  -1.056  -7.073
  202    NH1  ARG  26           NH1      ARG  26  -7.369   2.726  -9.545
  203    NH2  ARG  26           NH2      ARG  26  -8.099   1.026 -10.859
  204    H    ARG  26           H        ARG  26  -1.998  -0.624  -8.294
  205    HA   ARG  26           HA       ARG  26  -0.223   1.274  -9.748
  206   1HB   ARG  26          2HB       ARG  26  -2.283   2.530 -10.407
  207   2HB   ARG  26          1HB       ARG  26  -2.246   0.896 -11.066
  208   1HG   ARG  26          2HG       ARG  26  -3.641   0.164  -9.082
  209   2HG   ARG  26          1HG       ARG  26  -3.820   1.867  -8.665
  210   1HD   ARG  26          2HD       ARG  26  -4.877   2.328 -10.810
  211   2HD   ARG  26          1HD       ARG  26  -4.604   0.666 -11.335
  212    HE   ARG  26           HE       ARG  26  -6.098   0.114  -9.235
  213   1HH1  ARG  26          2HH1      ARG  26  -6.670   3.122  -8.950
  214   2HH1  ARG  26          1HH1      ARG  26  -8.212   3.233  -9.730
  215   1HH2  ARG  26          1HH2      ARG  26  -7.955   0.124 -11.266
  216   2HH2  ARG  26          2HH2      ARG  26  -8.944   1.529 -11.047
  217    H    VAL  27           H        VAL  27   0.436   3.013  -8.552
  218    HA   VAL  27           HA       VAL  27  -0.883   3.478  -5.921
  219    HB   VAL  27           HB       VAL  27   1.262   4.740  -5.433
  220   1HG1  VAL  27          1HG1      VAL  27   0.713   2.267  -4.888
  221   2HG1  VAL  27          3HG1      VAL  27   1.840   1.886  -6.188
  222   3HG1  VAL  27          2HG1      VAL  27   2.394   2.784  -4.775
  223   1HG2  VAL  27          3HG2      VAL  27   1.796   4.931  -7.955
  224   2HG2  VAL  27          2HG2      VAL  27   3.134   4.549  -6.871
  225   3HG2  VAL  27          1HG2      VAL  27   2.375   3.271  -7.821
  226    H    ILE  28           H        ILE  28  -1.466   5.642  -5.320
  227    HA   ILE  28           HA       ILE  28  -1.685   7.507  -7.653
  228    HB   ILE  28           HB       ILE  28  -3.364   7.319  -5.130
  229   1HG1  ILE  28          2HG1      ILE  28  -4.103   6.876  -8.040
  230   2HG1  ILE  28          1HG1      ILE  28  -3.727   5.573  -6.913
  231   1HG2  ILE  28          1HG2      ILE  28  -3.521   9.225  -7.489
  232   2HG2  ILE  28          3HG2      ILE  28  -4.752   9.079  -6.235
  233   3HG2  ILE  28          2HG2      ILE  28  -3.139   9.656  -5.822
  234   1HD1  ILE  28          3HD1      ILE  28  -5.853   7.623  -6.288
  235   2HD1  ILE  28          2HD1      ILE  28  -6.216   6.179  -7.232
  236   3HD1  ILE  28          1HD1      ILE  28  -5.628   6.025  -5.578
  237    H    GLU  29           H        GLU  29  -0.640   9.449  -7.524
  238    HA   GLU  29           HA       GLU  29   1.266   9.938  -5.441
  239   1HB   GLU  29          2HB       GLU  29   1.466  12.209  -6.543
  240   2HB   GLU  29          1HB       GLU  29   1.727  10.839  -7.608
  241   1HG   GLU  29          2HG       GLU  29  -0.053  11.384  -8.896
  242   2HG   GLU  29          1HG       GLU  29  -1.089  11.620  -7.488
  243    H    SER  30           H        SER  30   1.302  12.179  -4.322
  244    HA   SER  30           HA       SER  30  -1.334  12.547  -2.973
  245   1HB   SER  30          2HB       SER  30   0.311  13.832  -1.326
  246   2HB   SER  30          1HB       SER  30   0.137  12.084  -1.252
  247    HG   SER  30           HG       SER  30   2.246  13.655  -2.140
  248    H    GLY  31           H        GLY  31  -1.840  14.798  -2.301
  249   1HA   GLY  31          2HA       GLY  31  -0.545  17.078  -3.487
  250   2HA   GLY  31          1HA       GLY  31  -1.949  16.613  -4.441
  251    HA   PRO  32           HA       PRO  32  -3.703  19.279  -1.161
  252   1HB   PRO  32          2HB       PRO  32  -5.614  20.370  -2.820
  253   2HB   PRO  32          1HB       PRO  32  -3.978  21.029  -2.646
  254   1HG   PRO  32          2HG       PRO  32  -5.129  19.420  -4.888
  255   2HG   PRO  32          1HG       PRO  32  -3.848  20.644  -4.927
  256   1HD   PRO  32          2HD       PRO  32  -3.426  17.869  -5.003
  257   2HD   PRO  32          1HD       PRO  32  -2.195  19.080  -4.584
  258    H    HIS  33           H        HIS  33  -5.203  17.233  -3.602
  259    HA   HIS  33           HA       HIS  33  -7.745  16.768  -2.408
  260   1HB   HIS  33          2HB       HIS  33  -7.739  14.676  -3.782
  261   2HB   HIS  33          1HB       HIS  33  -7.263  16.089  -4.718
  262    HD1  HIS  33           HD1      HIS  33  -4.675  16.344  -5.260
  263    HD2  HIS  33           HD2      HIS  33  -5.717  12.711  -3.500
  264    HE1  HIS  33           HE1      HIS  33  -2.642  14.853  -5.452
  265    H    CYS  34           H        CYS  34  -4.584  15.269  -1.885
  266    HA   CYS  34           HA       CYS  34  -5.347  14.312   0.719
  267   1HB   CYS  34          2HB       CYS  34  -6.048  12.571  -1.265
  268   2HB   CYS  34          1HB       CYS  34  -4.404  12.035  -0.922
  269    H    ALA  35           H        ALA  35  -3.535  15.061   1.723
  270    HA   ALA  35           HA       ALA  35  -0.973  15.322   0.468
  271   1HB   ALA  35          2HB       ALA  35  -1.717  15.247   3.404
  272   2HB   ALA  35          1HB       ALA  35  -0.140  15.735   2.782
  273   3HB   ALA  35          3HB       ALA  35  -1.573  16.687   2.396
  274    H    ASN  36           H        ASN  36  -2.437  12.699   2.320
  275    HA   ASN  36           HA       ASN  36   0.091  11.239   2.584
  276   1HB   ASN  36          2HB       ASN  36  -2.770  10.756   3.332
  277   2HB   ASN  36          1HB       ASN  36  -1.687   9.371   3.217
  278   1HD2  ASN  36          2HD2      ASN  36  -1.352  11.923   6.355
  279   2HD2  ASN  36          1HD2      ASN  36  -2.517  12.165   5.145
  280    H    THR  37           H        THR  37   0.876   9.751   1.150
  281    HA   THR  37           HA       THR  37  -0.359   9.447  -1.459
  282    HB   THR  37           HB       THR  37   1.905   7.852  -0.212
  283    HG1  THR  37           HG1      THR  37   3.112   9.510  -0.626
  284   1HG2  THR  37          3HG2      THR  37   0.749   8.064  -2.963
  285   2HG2  THR  37          2HG2      THR  37   2.489   7.842  -2.799
  286   3HG2  THR  37          1HG2      THR  37   1.380   6.649  -2.121
  287    H    GLU  38           H        GLU  38  -1.420   7.576  -2.307
  288    HA   GLU  38           HA       GLU  38  -2.151   5.509  -0.281
  289   1HB   GLU  38          2HB       GLU  38  -4.341   5.419  -1.663
  290   2HB   GLU  38          1HB       GLU  38  -4.148   6.733  -0.513
  291   1HG   GLU  38          2HG       GLU  38  -3.765   8.315  -2.193
  292   2HG   GLU  38          1HG       GLU  38  -3.237   7.102  -3.355
  293    H    ILE  39           H        ILE  39  -1.371   3.564  -0.923
  294    HA   ILE  39           HA       ILE  39  -0.700   3.118  -3.767
  295    HB   ILE  39           HB       ILE  39  -0.317   1.507  -1.227
  296   1HG1  ILE  39          2HG1      ILE  39   2.110   1.889  -2.545
  297   2HG1  ILE  39          1HG1      ILE  39   1.253   3.409  -2.799
  298   1HG2  ILE  39          1HG2      ILE  39   0.264   0.734  -4.097
  299   2HG2  ILE  39          3HG2      ILE  39   1.060  -0.029  -2.723
  300   3HG2  ILE  39          2HG2      ILE  39  -0.688  -0.159  -2.912
  301   1HD1  ILE  39          2HD1      ILE  39   1.219   2.210  -0.056
  302   2HD1  ILE  39          1HD1      ILE  39   2.694   3.007  -0.603
  303   3HD1  ILE  39          3HD1      ILE  39   1.179   3.906  -0.538
  304    H    ILE  40           H        ILE  40  -1.581   1.199  -4.920
  305    HA   ILE  40           HA       ILE  40  -4.047   0.016  -3.787
  306    HB   ILE  40           HB       ILE  40  -4.116   1.314  -6.528
  307   1HG1  ILE  40          2HG1      ILE  40  -5.470   2.333  -4.015
  308   2HG1  ILE  40          1HG1      ILE  40  -3.923   2.958  -4.580
  309   1HG2  ILE  40          3HG2      ILE  40  -5.615  -0.654  -6.029
  310   2HG2  ILE  40          2HG2      ILE  40  -6.345   0.299  -4.738
  311   3HG2  ILE  40          1HG2      ILE  40  -6.486   0.830  -6.414
  312   1HD1  ILE  40          1HD1      ILE  40  -6.280   2.826  -6.448
  313   2HD1  ILE  40          3HD1      ILE  40  -6.099   4.179  -5.331
  314   3HD1  ILE  40          2HD1      ILE  40  -4.854   3.860  -6.538
  315    H    VAL  41           H        VAL  41  -4.145  -2.099  -4.343
  316    HA   VAL  41           HA       VAL  41  -2.674  -3.026  -6.745
  317    HB   VAL  41           HB       VAL  41  -1.936  -4.982  -5.407
  318   1HG1  VAL  41          2HG1      VAL  41  -0.560  -2.856  -5.749
  319   2HG1  VAL  41          1HG1      VAL  41  -1.007  -2.433  -4.096
  320   3HG1  VAL  41          3HG1      VAL  41  -0.071  -3.894  -4.411
  321   1HG2  VAL  41          2HG2      VAL  41  -3.822  -4.300  -3.607
  322   2HG2  VAL  41          1HG2      VAL  41  -2.414  -5.273  -3.185
  323   3HG2  VAL  41          3HG2      VAL  41  -2.416  -3.540  -2.862
  324    H    LYS  42           H        LYS  42  -3.408  -5.307  -7.329
  325    HA   LYS  42           HA       LYS  42  -6.204  -5.846  -6.447
  326   1HB   LYS  42          2HB       LYS  42  -5.512  -4.814  -8.967
  327   2HB   LYS  42          1HB       LYS  42  -5.787  -6.534  -9.246
  328   1HG   LYS  42          2HG       LYS  42  -7.911  -6.095  -7.709
  329   2HG   LYS  42          1HG       LYS  42  -7.697  -4.440  -8.281
  330   1HD   LYS  42          2HD       LYS  42  -8.922  -5.127 -10.069
  331   2HD   LYS  42          1HD       LYS  42  -7.410  -5.855 -10.611
  332   1HE   LYS  42          2HE       LYS  42  -8.974  -7.629 -10.720
  333   2HE   LYS  42          1HE       LYS  42  -8.112  -7.909  -9.209
  334   1HZ   LYS  42          3HZ       LYS  42 -10.646  -6.378  -9.352
  335   2HZ   LYS  42          2HZ       LYS  42 -10.599  -8.055  -9.093
  336   3HZ   LYS  42          1HZ       LYS  42  -9.883  -7.001  -7.971
  337    H    LEU  43           H        LEU  43  -5.588  -7.645  -5.229
  338    HA   LEU  43           HA       LEU  43  -3.689  -9.609  -5.863
  339   1HB   LEU  43          2HB       LEU  43  -6.260  -9.730  -4.302
  340   2HB   LEU  43          1HB       LEU  43  -5.202 -11.118  -4.439
  341    HG   LEU  43           HG       LEU  43  -4.171  -8.426  -3.535
  342   1HD1  LEU  43          3HD1      LEU  43  -5.302 -10.676  -1.846
  343   2HD1  LEU  43          2HD1      LEU  43  -4.362  -9.327  -1.208
  344   3HD1  LEU  43          1HD1      LEU  43  -5.926  -9.031  -1.964
  345   1HD2  LEU  43          3HD2      LEU  43  -2.606 -10.258  -4.336
  346   2HD2  LEU  43          2HD2      LEU  43  -2.318  -9.710  -2.686
  347   3HD2  LEU  43          1HD2      LEU  43  -3.164 -11.230  -2.974
  348    H    SER  44           H        SER  44  -3.741 -11.513  -6.999
  349    HA   SER  44           HA       SER  44  -5.309 -11.737  -9.330
  350   1HB   SER  44          2HB       SER  44  -4.424 -14.090  -9.425
  351   2HB   SER  44          1HB       SER  44  -3.181 -12.867  -9.188
  352    HG   SER  44           HG       SER  44  -4.169 -14.804  -7.445
  353    H    ASP  45           H        ASP  45  -5.998 -12.812  -6.070
  354    HA   ASP  45           HA       ASP  45  -7.978 -14.772  -6.746
  355   1HB   ASP  45          2HB       ASP  45  -7.281 -13.233  -4.261
  356   2HB   ASP  45          1HB       ASP  45  -8.749 -14.212  -4.312
  357    H    GLY  46           H        GLY  46  -8.004 -11.421  -7.161
  358   1HA   GLY  46          2HA       GLY  46  -9.849 -10.246  -8.160
  359   2HA   GLY  46          1HA       GLY  46 -10.952 -11.427  -7.451
  360    NH1  ARG  47           NH2      ARG  47  -9.918  -9.914   1.685
  361    NH2  ARG  47           NH1      ARG  47 -11.978 -10.461   0.907
  362    H    ARG  47           H        ARG  47  -8.320  -9.819  -5.703
  363    HA   ARG  47           HA       ARG  47 -10.417  -8.512  -3.999
  364   1HB   ARG  47          2HB       ARG  47  -8.918 -10.347  -3.003
  365   2HB   ARG  47          1HB       ARG  47  -7.596  -9.193  -3.150
  366   1HG   ARG  47          2HG       ARG  47  -8.473  -8.991  -0.915
  367   2HG   ARG  47          1HG       ARG  47  -8.995  -7.562  -1.806
  368   1HD   ARG  47          2HD       ARG  47 -11.206  -8.379  -2.046
  369   2HD   ARG  47          1HD       ARG  47 -10.729 -10.026  -1.635
  370    HE   ARG  47           HE       ARG  47 -11.004  -7.786   0.314
  371   1HH1  ARG  47          1HH2      ARG  47  -9.107  -9.329   1.656
  372   2HH1  ARG  47          2HH2      ARG  47  -9.964 -10.669   2.341
  373   1HH2  ARG  47          2HH1      ARG  47 -12.740 -10.291   0.283
  374   2HH2  ARG  47          1HH1      ARG  47 -12.027 -11.216   1.561
  375    H    GLU  48           H        GLU  48  -9.843  -6.401  -3.108
  376    HA   GLU  48           HA       GLU  48  -7.748  -4.951  -4.677
  377   1HB   GLU  48          2HB       GLU  48 -10.594  -4.462  -4.583
  378   2HB   GLU  48          1HB       GLU  48  -9.739  -3.092  -3.873
  379   1HG   GLU  48          2HG       GLU  48  -8.248  -3.046  -5.887
  380   2HG   GLU  48          1HG       GLU  48  -9.252  -4.306  -6.608
  381    H    LEU  49           H        LEU  49  -6.193  -4.266  -3.276
  382    HA   LEU  49           HA       LEU  49  -7.057  -3.431  -0.531
  383   1HB   LEU  49          2HB       LEU  49  -5.241  -5.586  -1.305
  384   2HB   LEU  49          1HB       LEU  49  -4.475  -4.411  -0.236
  385    HG   LEU  49           HG       LEU  49  -6.675  -4.639   1.168
  386   1HD1  LEU  49          1HD1      LEU  49  -6.751  -6.985  -0.705
  387   2HD1  LEU  49          3HD1      LEU  49  -7.340  -7.178   0.946
  388   3HD1  LEU  49          2HD1      LEU  49  -8.080  -5.984  -0.120
  389   1HD2  LEU  49          3HD2      LEU  49  -4.274  -5.438   1.669
  390   2HD2  LEU  49          2HD2      LEU  49  -5.581  -6.257   2.525
  391   3HD2  LEU  49          1HD2      LEU  49  -4.820  -7.027   1.133
  392    H    CYS  50           H        CYS  50  -6.436  -1.356  -0.179
  393    HA   CYS  50           HA       CYS  50  -4.304  -0.160  -1.810
  394   1HB   CYS  50          2HB       CYS  50  -5.722   1.159   0.441
  395   2HB   CYS  50          1HB       CYS  50  -4.956   1.914  -0.925
  396    H    LEU  51           H        LEU  51  -2.279   0.324  -0.968
  397    HA   LEU  51           HA       LEU  51  -1.681  -0.910   1.633
  398   1HB   LEU  51          2HB       LEU  51   0.241   0.041  -0.474
  399   2HB   LEU  51          1HB       LEU  51   0.614  -0.941   0.923
  400    HG   LEU  51           HG       LEU  51  -0.821  -1.722  -1.591
  401   1HD1  LEU  51          2HD1      LEU  51   1.628  -2.194  -1.056
  402   2HD1  LEU  51          1HD1      LEU  51   1.042  -3.288   0.197
  403   3HD1  LEU  51          3HD1      LEU  51   0.652  -3.597  -1.494
  404   1HD2  LEU  51          2HD2      LEU  51  -1.314  -2.833   1.174
  405   2HD2  LEU  51          1HD2      LEU  51  -2.494  -2.432  -0.072
  406   3HD2  LEU  51          3HD2      LEU  51  -1.472  -3.856  -0.252
  407    H    ASP  52           H        ASP  52  -0.302   0.089   3.115
  408    HA   ASP  52           HA       ASP  52  -0.650   3.035   3.262
  409   1HB   ASP  52          2HB       ASP  52  -1.346   1.294   5.104
  410   2HB   ASP  52          1HB       ASP  52   0.371   1.283   5.488
  411    HA   PRO  53           HA       PRO  53   3.692   3.209   2.194
  412   1HB   PRO  53          2HB       PRO  53   3.846   5.961   2.265
  413   2HB   PRO  53          1HB       PRO  53   3.241   5.032   0.883
  414   1HG   PRO  53          2HG       PRO  53   1.701   6.573   2.935
  415   2HG   PRO  53          1HG       PRO  53   1.309   6.262   1.236
  416   1HD   PRO  53          2HD       PRO  53   0.168   4.912   3.401
  417   2HD   PRO  53          1HD       PRO  53   0.197   4.307   1.730
  418    H    LYS  54           H        LYS  54   2.199   4.033   5.159
  419    HA   LYS  54           HA       LYS  54   4.340   5.304   6.528
  420   1HB   LYS  54          2HB       LYS  54   1.794   4.055   7.240
  421   2HB   LYS  54          1HB       LYS  54   3.039   3.786   8.457
  422   1HG   LYS  54          2HG       LYS  54   2.063   5.841   9.095
  423   2HG   LYS  54          1HG       LYS  54   3.528   6.317   8.238
  424   1HD   LYS  54          2HD       LYS  54   1.938   6.319   6.132
  425   2HD   LYS  54          1HD       LYS  54   0.668   6.495   7.343
  426   1HE   LYS  54          2HE       LYS  54   3.066   8.263   7.583
  427   2HE   LYS  54          1HE       LYS  54   1.908   8.623   6.306
  428   1HZ   LYS  54          1HZ       LYS  54   1.220   8.278   9.175
  429   2HZ   LYS  54          3HZ       LYS  54   1.396   9.771   8.393
  430   3HZ   LYS  54          2HZ       LYS  54   0.151   8.714   7.930
  431    H    GLU  55           H        GLU  55   3.776   1.941   5.637
  432    HA   GLU  55           HA       GLU  55   5.843   0.950   7.472
  433   1HB   GLU  55          2HB       GLU  55   4.254  -0.390   5.268
  434   2HB   GLU  55          1HB       GLU  55   5.400  -1.214   6.311
  435   1HG   GLU  55          2HG       GLU  55   3.516  -1.609   7.543
  436   2HG   GLU  55          1HG       GLU  55   3.918  -0.034   8.198
  437    H    ASN  56           H        ASN  56   7.604  -0.378   6.515
  438    HA   ASN  56           HA       ASN  56   8.839   1.059   4.244
  439   1HB   ASN  56          2HB       ASN  56   9.799  -0.170   6.637
  440   2HB   ASN  56          1HB       ASN  56  10.576  -0.911   5.246
  441   1HD2  ASN  56          2HD2      ASN  56  11.222   3.080   5.998
  442   2HD2  ASN  56          1HD2      ASN  56   9.865   2.316   6.674
  443    CH2  TRP  57           CH2      TRP  57   1.652  -4.278   2.352
  444    H    TRP  57           H        TRP  57   7.192  -1.867   4.958
  445    HA   TRP  57           HA       TRP  57   8.425  -3.419   2.852
  446   1HB   TRP  57          2HB       TRP  57   6.927  -5.152   3.478
  447   2HB   TRP  57          1HB       TRP  57   7.393  -4.372   4.961
  448    HD1  TRP  57           HD1      TRP  57   5.551  -3.392   6.393
  449    HE1  TRP  57           HE1      TRP  57   2.997  -3.294   6.219
  450    HE3  TRP  57           HE3      TRP  57   4.924  -4.778   1.539
  451    HZ2  TRP  57           HZ2      TRP  57   0.944  -3.665   4.290
  452    HZ3  TRP  57           HZ3      TRP  57   2.661  -4.866   0.549
  453    HH2  TRP  57           HH2      TRP  57   0.666  -4.322   1.913
  454    H    VAL  58           H        VAL  58   5.526  -1.459   3.259
  455    HA   VAL  58           HA       VAL  58   4.233  -2.230   0.821
  456    HB   VAL  58           HB       VAL  58   4.126   0.236   2.547
  457   1HG1  VAL  58          3HG1      VAL  58   2.717  -0.248  -0.077
  458   2HG1  VAL  58          2HG1      VAL  58   2.099   0.875   1.135
  459   3HG1  VAL  58          1HG1      VAL  58   3.674   1.156   0.395
  460   1HG2  VAL  58          3HG2      VAL  58   2.283  -2.065   1.949
  461   2HG2  VAL  58          2HG2      VAL  58   2.980  -1.604   3.501
  462   3HG2  VAL  58          1HG2      VAL  58   1.725  -0.609   2.765
  463    H    GLN  59           H        GLN  59   6.634   0.337   1.518
  464    HA   GLN  59           HA       GLN  59   6.653   1.197  -1.259
  465   1HB   GLN  59          2HB       GLN  59   8.281   2.788  -0.610
  466   2HB   GLN  59          1HB       GLN  59   7.134   2.695   0.718
  467   1HG   GLN  59          2HG       GLN  59   8.600   1.229   1.942
  468   2HG   GLN  59          1HG       GLN  59   9.723   1.143   0.592
  469   1HE2  GLN  59          2HE2      GLN  59  10.284   4.061   3.225
  470   2HE2  GLN  59          1HE2      GLN  59   9.436   2.627   3.539
  471    NH1  ARG  60           NH1      ARG  60  13.187  -6.214   1.278
  472    NH2  ARG  60           NH2      ARG  60  13.575  -5.694   3.450
  473    H    ARG  60           H        ARG  60   8.345  -1.185   0.624
  474    HA   ARG  60           HA       ARG  60  10.565  -1.454  -1.282
  475   1HB   ARG  60          2HB       ARG  60  10.386  -2.079   1.330
  476   2HB   ARG  60          1HB       ARG  60   9.914  -3.634   0.651
  477   1HG   ARG  60          2HG       ARG  60  11.973  -3.944  -0.410
  478   2HG   ARG  60          1HG       ARG  60  12.339  -2.219  -0.425
  479   1HD   ARG  60          2HD       ARG  60  13.743  -3.279   1.247
  480   2HD   ARG  60          1HD       ARG  60  12.535  -2.300   2.078
  481    HE   ARG  60           HE       ARG  60  11.319  -4.397   2.594
  482   1HH1  ARG  60          2HH1      ARG  60  12.741  -6.012   0.406
  483   2HH1  ARG  60          1HH1      ARG  60  13.781  -7.013   1.360
  484   1HH2  ARG  60          1HH2      ARG  60  13.426  -5.096   4.237
  485   2HH2  ARG  60          2HH2      ARG  60  14.171  -6.494   3.537
  486    H    VAL  61           H        VAL  61   7.519  -3.082  -0.484
  487    HA   VAL  61           HA       VAL  61   7.823  -5.279  -2.317
  488    HB   VAL  61           HB       VAL  61   5.445  -3.942  -1.007
  489   1HG1  VAL  61          2HG1      VAL  61   5.429  -6.367  -2.818
  490   2HG1  VAL  61          1HG1      VAL  61   4.069  -5.821  -1.840
  491   3HG1  VAL  61          3HG1      VAL  61   4.664  -4.815  -3.160
  492   1HG2  VAL  61          3HG2      VAL  61   6.951  -5.308   0.398
  493   2HG2  VAL  61          2HG2      VAL  61   5.367  -6.066   0.242
  494   3HG2  VAL  61          1HG2      VAL  61   6.732  -6.672  -0.696
  495    H    VAL  62           H        VAL  62   6.427  -2.026  -2.630
  496    HA   VAL  62           HA       VAL  62   5.445  -2.347  -5.316
  497    HB   VAL  62           HB       VAL  62   6.309   0.116  -3.762
  498   1HG1  VAL  62          3HG1      VAL  62   4.915  -0.104  -6.448
  499   2HG1  VAL  62          2HG1      VAL  62   5.051   1.385  -5.514
  500   3HG1  VAL  62          1HG1      VAL  62   6.500   0.605  -6.146
  501   1HG2  VAL  62          1HG2      VAL  62   4.201  -1.422  -3.227
  502   2HG2  VAL  62          3HG2      VAL  62   4.086   0.336  -3.147
  503   3HG2  VAL  62          2HG2      VAL  62   3.497  -0.522  -4.571
  504    H    GLU  63           H        GLU  63   8.559  -1.159  -4.002
  505    HA   GLU  63           HA       GLU  63   9.752  -0.469  -6.478
  506   1HB   GLU  63          2HB       GLU  63  10.572  -0.157  -3.972
  507   2HB   GLU  63          1HB       GLU  63  11.424  -1.664  -4.298
  508   1HG   GLU  63          2HG       GLU  63  11.623   0.425  -6.403
  509   2HG   GLU  63          1HG       GLU  63  12.462   0.767  -4.889
  510    H    LYS  64           H        LYS  64   9.916  -3.540  -4.633
  511    HA   LYS  64           HA       LYS  64  11.513  -4.961  -6.490
  512   1HB   LYS  64          2HB       LYS  64  10.608  -5.557  -4.062
  513   2HB   LYS  64          1HB       LYS  64   9.365  -6.397  -4.987
  514   1HG   LYS  64          2HG       LYS  64  10.850  -7.936  -5.848
  515   2HG   LYS  64          1HG       LYS  64  12.203  -6.806  -5.819
  516   1HD   LYS  64          2HD       LYS  64  11.000  -7.711  -3.222
  517   2HD   LYS  64          1HD       LYS  64  12.108  -8.785  -4.078
  518   1HE   LYS  64          2HE       LYS  64  13.894  -7.233  -3.949
  519   2HE   LYS  64          1HE       LYS  64  12.815  -5.898  -3.547
  520   1HZ   LYS  64          1HZ       LYS  64  12.308  -7.037  -1.446
  521   2HZ   LYS  64          3HZ       LYS  64  13.446  -8.235  -1.828
  522   3HZ   LYS  64          2HZ       LYS  64  13.952  -6.632  -1.583
  523    H    PHE  65           H        PHE  65   8.052  -4.282  -6.459
  524    HA   PHE  65           HA       PHE  65   7.249  -6.202  -8.432
  525   1HB   PHE  65          2HB       PHE  65   5.859  -4.668  -6.808
  526   2HB   PHE  65          1HB       PHE  65   5.936  -3.518  -8.132
  527    HD1  PHE  65           HD1      PHE  65   5.413  -7.238  -7.815
  528    HD2  PHE  65           HD2      PHE  65   4.040  -3.524  -9.484
  529    HE1  PHE  65           HE1      PHE  65   3.563  -8.430  -8.953
  530    HE2  PHE  65           HE2      PHE  65   2.195  -4.720 -10.624
  531    HZ   PHE  65           HZ       PHE  65   1.954  -7.171 -10.359
  532    H    LEU  66           H        LEU  66   8.193  -2.748  -8.696
  533    HA   LEU  66           HA       LEU  66   8.063  -2.875 -11.637
  534   1HB   LEU  66          2HB       LEU  66   8.990  -0.688  -9.745
  535   2HB   LEU  66          1HB       LEU  66   8.901  -0.514 -11.497
  536    HG   LEU  66           HG       LEU  66   6.469  -1.480 -10.037
  537   1HD1  LEU  66          2HD1      LEU  66   7.353   0.522  -8.786
  538   2HD1  LEU  66          1HD1      LEU  66   7.213   1.448 -10.280
  539   3HD1  LEU  66          3HD1      LEU  66   5.770   0.776  -9.521
  540   1HD2  LEU  66          3HD2      LEU  66   7.017   0.233 -12.480
  541   2HD2  LEU  66          2HD2      LEU  66   6.393  -1.416 -12.458
  542   3HD2  LEU  66          1HD2      LEU  66   5.400  -0.090 -11.855
  543    H    LYS  67           H        LYS  67  10.692  -1.921  -9.389
  544    HA   LYS  67           HA       LYS  67  12.995  -2.280  -9.478
  545   1HB   LYS  67          2HB       LYS  67  11.807  -4.739 -10.635
  546   2HB   LYS  67          1HB       LYS  67  13.511  -4.472 -11.001
  547   1HG   LYS  67          2HG       LYS  67  12.590  -4.077  -8.180
  548   2HG   LYS  67          1HG       LYS  67  12.776  -5.726  -8.777
  549   1HD   LYS  67          2HD       LYS  67  15.084  -5.412  -9.252
  550   2HD   LYS  67          1HD       LYS  67  14.953  -3.658  -9.119
  551   1HE   LYS  67          2HE       LYS  67  15.916  -4.241  -7.063
  552   2HE   LYS  67          1HE       LYS  67  14.201  -4.153  -6.662
  553   1HZ   LYS  67          1HZ       LYS  67  15.669  -6.637  -7.379
  554   2HZ   LYS  67          3HZ       LYS  67  15.244  -6.170  -5.804
  555   3HZ   LYS  67          2HZ       LYS  67  14.031  -6.535  -6.935
  556    NH1  ARG  68           NH1      ARG  68  12.840  -1.959 -17.872
  557    NH2  ARG  68           NH2      ARG  68  11.006  -2.979 -18.731
  558    H    ARG  68           H        ARG  68  11.865  -0.475 -11.442
  559    HA   ARG  68           HA       ARG  68  14.130  -0.244 -13.210
  560   1HB   ARG  68          2HB       ARG  68  12.820  -0.462 -15.363
  561   2HB   ARG  68          1HB       ARG  68  13.117  -1.979 -14.523
  562   1HG   ARG  68          2HG       ARG  68  10.896  -2.205 -13.858
  563   2HG   ARG  68          1HG       ARG  68  10.591  -0.470 -13.935
  564   1HD   ARG  68          2HD       ARG  68   9.463  -1.608 -15.796
  565   2HD   ARG  68          1HD       ARG  68  10.747  -0.566 -16.410
  566    HE   ARG  68           HE       ARG  68  11.211  -3.496 -16.030
  567   1HH1  ARG  68          2HH1      ARG  68  13.349  -1.614 -17.083
  568   2HH1  ARG  68          1HH1      ARG  68  13.226  -1.872 -18.791
  569   1HH2  ARG  68          1HH2      ARG  68  10.115  -3.412 -18.599
  570   2HH2  ARG  68          2HH2      ARG  68  11.389  -2.894 -19.652
  571    H    ALA  69           H        ALA  69  13.602   1.530 -14.958
  572    HA   ALA  69           HA       ALA  69  12.153   3.698 -13.520
  573   1HB   ALA  69          2HB       ALA  69  14.083   3.790 -15.861
  574   2HB   ALA  69          1HB       ALA  69  13.334   5.204 -15.118
  575   3HB   ALA  69          3HB       ALA  69  14.452   4.206 -14.187
  576    H    GLU  70           H        GLU  70  10.141   4.244 -14.202
  577    HA   GLU  70           HA       GLU  70   9.439   3.793 -17.071
  578   1HB   GLU  70          2HB       GLU  70   7.786   3.066 -14.635
  579   2HB   GLU  70          1HB       GLU  70   7.142   3.112 -16.277
  580   1HG   GLU  70          2HG       GLU  70   9.139   1.547 -16.865
  581   2HG   GLU  70          1HG       GLU  70   9.228   1.265 -15.126
  582    H    ASN  71           H        ASN  71   8.194   5.303 -14.051
  583    HA   ASN  71           HA       ASN  71   7.388   7.464 -13.660
  584   1HB   ASN  71          2HB       ASN  71   9.434   7.925 -15.337
  585   2HB   ASN  71          1HB       ASN  71   8.113   8.432 -16.389
  586   1HD2  ASN  71          2HD2      ASN  71   8.934  10.610 -13.009
  587   2HD2  ASN  71          1HD2      ASN  71   9.564   9.042 -13.166
  588    H    SER  72           H        SER  72   5.662   8.996 -14.464
  589    HA   SER  72           HA       SER  72   3.749   7.536 -16.245
  590   1HB   SER  72          2HB       SER  72   3.236   9.443 -13.943
  591   2HB   SER  72          1HB       SER  72   1.978   8.831 -15.017
  592    HG   SER  72           HG       SER  72   3.167   7.643 -12.907
  593   1HC   CH3  25          1H        LEU  25  -0.285  -3.641 -11.969
  594   2HC   CH3  25          2H        LEU  25  -0.823  -2.028 -11.504
  595   3HC   CH3  25          3H        LEU  25   0.787  -2.586 -11.052
   
  Start of MODEL          15
 Raw file had  595 H/Q atoms
  Start of MODEL   15
    1   1H    GLU   4          1H        GLU   4 -13.491  11.402  -6.893
    2   2H    GLU   4          3H        GLU   4 -14.417  12.741  -6.413
    3   3H    GLU   4          2H        GLU   4 -14.987  11.710  -7.638
    4    HA   GLU   4           HA       GLU   4 -13.332  12.408  -9.156
    5   1HB   GLU   4          2HB       GLU   4 -14.788  14.562  -7.647
    6   2HB   GLU   4          1HB       GLU   4 -13.675  15.013  -8.938
    7   1HG   GLU   4          2HG       GLU   4 -14.892  13.698 -10.551
    8   2HG   GLU   4          1HG       GLU   4 -15.894  12.983  -9.290
    9    H    LEU   5           H        LEU   5 -12.832  14.121  -6.034
   10    HA   LEU   5           HA       LEU   5  -9.906  13.912  -6.522
   11   1HB   LEU   5          2HB       LEU   5  -9.705  16.258  -5.462
   12   2HB   LEU   5          1HB       LEU   5 -10.208  16.167  -7.142
   13    HG   LEU   5           HG       LEU   5 -11.518  17.797  -5.711
   14   1HD1  LEU   5          2HD1      LEU   5 -12.363  16.125  -7.751
   15   2HD1  LEU   5          1HD1      LEU   5 -13.627  15.955  -6.532
   16   3HD1  LEU   5          3HD1      LEU   5 -13.216  17.550  -7.160
   17   1HD2  LEU   5          3HD2      LEU   5 -11.650  16.445  -3.655
   18   2HD2  LEU   5          2HD2      LEU   5 -13.261  16.873  -4.226
   19   3HD2  LEU   5          1HD2      LEU   5 -12.635  15.249  -4.496
   20    NH1  ARG   6           NH2      ARG   6 -13.704  16.616  -1.066
   21    NH2  ARG   6           NH1      ARG   6 -12.026  16.665   0.458
   22    H    ARG   6           H        ARG   6 -11.377  12.218  -4.899
   23    HA   ARG   6           HA       ARG   6 -10.714  13.165  -2.150
   24   1HB   ARG   6          2HB       ARG   6 -12.811  11.302  -3.228
   25   2HB   ARG   6          1HB       ARG   6 -12.287  11.173  -1.558
   26   1HG   ARG   6          2HG       ARG   6 -13.269  13.745  -2.823
   27   2HG   ARG   6          1HG       ARG   6 -14.287  12.666  -1.870
   28   1HD   ARG   6          2HD       ARG   6 -13.597  13.828  -0.057
   29   2HD   ARG   6          1HD       ARG   6 -12.040  13.026  -0.264
   30    HE   ARG   6           HE       ARG   6 -11.351  15.018  -1.642
   31   1HH1  ARG   6          1HH2      ARG   6 -14.159  16.176  -1.841
   32   2HH1  ARG   6          2HH2      ARG   6 -14.079  17.462  -0.683
   33   1HH2  ARG   6          2HH1      ARG   6 -11.198  16.261   0.847
   34   2HH2  ARG   6          1HH1      ARG   6 -12.398  17.509   0.843
   35    H    CYS   7           H        CYS   7 -10.309  11.127  -0.698
   36    HA   CYS   7           HA       CYS   7  -7.953   9.768  -1.795
   37   1HB   CYS   7          2HB       CYS   7  -9.304   9.616   0.914
   38   2HB   CYS   7          1HB       CYS   7  -7.776   8.845   0.506
   39    H    GLN   8           H        GLN   8  -8.131   7.909  -2.907
   40    HA   GLN   8           HA       GLN   8 -10.517   6.377  -3.169
   41   1HB   GLN   8          2HB       GLN   8  -8.256   6.411  -4.567
   42   2HB   GLN   8          1HB       GLN   8  -7.841   5.066  -3.506
   43   1HG   GLN   8          2HG       GLN   8  -8.882   4.116  -5.453
   44   2HG   GLN   8          1HG       GLN   8 -10.060   4.012  -4.145
   45   1HE2  GLN   8          2HE2      GLN   8 -10.721   6.694  -7.196
   46   2HE2  GLN   8          1HE2      GLN   8  -9.142   6.141  -6.910
   47    H    CYS   9           H        CYS   9  -7.958   6.284  -0.775
   48    HA   CYS   9           HA       CYS   9  -9.470   4.183   0.689
   49   1HB   CYS   9          2HB       CYS   9  -6.749   3.958  -0.405
   50   2HB   CYS   9          1HB       CYS   9  -6.861   3.573   1.306
   51    H    ILE  10           H        ILE  10 -10.101   5.350   2.451
   52    HA   ILE  10           HA       ILE  10  -8.538   7.500   3.605
   53    HB   ILE  10           HB       ILE  10 -10.830   5.874   4.769
   54   1HG1  ILE  10          2HG1      ILE  10 -11.464   7.149   2.760
   55   2HG1  ILE  10          1HG1      ILE  10 -12.181   7.878   4.194
   56   1HG2  ILE  10          1HG2      ILE  10  -9.379   8.334   5.755
   57   2HG2  ILE  10          3HG2      ILE  10 -11.032   7.971   6.253
   58   3HG2  ILE  10          2HG2      ILE  10  -9.730   6.844   6.631
   59   1HD1  ILE  10          3HD1      ILE  10 -10.247   9.490   4.258
   60   2HD1  ILE  10          2HD1      ILE  10  -9.714   8.830   2.712
   61   3HD1  ILE  10          1HD1      ILE  10 -11.267   9.656   2.829
   62    H    LYS  11           H        LYS  11  -8.839   4.038   4.165
   63    HA   LYS  11           HA       LYS  11  -6.709   4.198   6.267
   64   1HB   LYS  11          2HB       LYS  11  -9.196   2.925   6.363
   65   2HB   LYS  11          1HB       LYS  11  -8.070   1.619   5.993
   66   1HG   LYS  11          2HG       LYS  11  -6.740   2.101   7.931
   67   2HG   LYS  11          1HG       LYS  11  -7.603   3.611   8.223
   68   1HD   LYS  11          2HD       LYS  11  -9.578   2.485   8.896
   69   2HD   LYS  11          1HD       LYS  11  -9.039   0.955   8.206
   70   1HE   LYS  11          2HE       LYS  11  -8.666   0.672  10.516
   71   2HE   LYS  11          1HE       LYS  11  -7.078   1.124   9.897
   72   1HZ   LYS  11          3HZ       LYS  11  -9.030   3.055  11.027
   73   2HZ   LYS  11          2HZ       LYS  11  -7.763   2.356  11.916
   74   3HZ   LYS  11          1HZ       LYS  11  -7.419   3.365  10.593
   75    H    THR  12           H        THR  12  -5.256   2.099   6.160
   76    HA   THR  12           HA       THR  12  -4.944   1.220   3.331
   77    HB   THR  12           HB       THR  12  -2.334   1.419   4.106
   78    HG1  THR  12           HG1      THR  12  -3.523   3.851   4.905
   79   1HG2  THR  12          2HG2      THR  12  -4.049   3.440   2.655
   80   2HG2  THR  12          1HG2      THR  12  -2.287   3.375   2.584
   81   3HG2  THR  12          3HG2      THR  12  -3.246   2.039   1.945
   82    OH   TYR  13           OH       TYR  13  -3.330  -8.504   4.533
   83    H    TYR  13           H        TYR  13  -2.850  -0.374   3.402
   84    HA   TYR  13           HA       TYR  13  -3.710  -2.543   5.221
   85   1HB   TYR  13          2HB       TYR  13  -3.346  -2.686   2.623
   86   2HB   TYR  13          1HB       TYR  13  -1.646  -2.819   3.055
   87    HD1  TYR  13           HD2      TYR  13  -4.355  -4.104   5.196
   88    HD2  TYR  13           HD1      TYR  13  -1.376  -5.056   2.258
   89    HE1  TYR  13           HE2      TYR  13  -4.642  -6.524   5.701
   90    HE2  TYR  13           HE1      TYR  13  -1.660  -7.481   2.755
   91    HH   TYR  13           HH       TYR  13  -4.196  -8.771   4.217
   92    H    SER  14           H        SER  14  -2.563  -2.921   7.037
   93    HA   SER  14           HA       SER  14   0.201  -1.844   7.272
   94   1HB   SER  14          2HB       SER  14  -1.640  -1.472   9.052
   95   2HB   SER  14          1HB       SER  14  -1.390  -3.164   9.473
   96    HG   SER  14           HG       SER  14   0.373  -0.975   9.665
   97    H    LYS  15           H        LYS  15  -1.614  -4.864   7.204
   98    HA   LYS  15           HA       LYS  15   0.653  -6.513   7.998
   99   1HB   LYS  15          2HB       LYS  15  -1.417  -7.832   6.385
  100   2HB   LYS  15          1HB       LYS  15  -0.792  -8.262   7.959
  101   1HG   LYS  15          2HG       LYS  15  -2.163  -6.338   8.913
  102   2HG   LYS  15          1HG       LYS  15  -2.948  -6.239   7.336
  103   1HD   LYS  15          2HD       LYS  15  -3.336  -8.806   7.652
  104   2HD   LYS  15          1HD       LYS  15  -3.048  -8.464   9.358
  105   1HE   LYS  15          2HE       LYS  15  -4.812  -6.682   9.235
  106   2HE   LYS  15          1HE       LYS  15  -5.162  -7.203   7.588
  107   1HZ   LYS  15          3HZ       LYS  15  -5.591  -9.447   8.486
  108   2HZ   LYS  15          2HZ       LYS  15  -5.394  -8.833  10.058
  109   3HZ   LYS  15          1HZ       LYS  15  -6.666  -8.277   9.080
  110    HA   PRO  16           HA       PRO  16   2.468  -6.469   3.975
  111   1HB   PRO  16          2HB       PRO  16   4.455  -8.260   4.533
  112   2HB   PRO  16          1HB       PRO  16   4.469  -6.591   5.084
  113   1HG   PRO  16          2HG       PRO  16   4.001  -9.062   6.657
  114   2HG   PRO  16          1HG       PRO  16   4.525  -7.465   7.215
  115   1HD   PRO  16          2HD       PRO  16   1.882  -8.574   7.376
  116   2HD   PRO  16          1HD       PRO  16   2.380  -6.933   7.827
  117    H    PHE  17           H        PHE  17   2.853  -7.916   2.158
  118    HA   PHE  17           HA       PHE  17   2.120 -10.728   2.327
  119   1HB   PHE  17          2HB       PHE  17   0.103 -10.714   1.050
  120   2HB   PHE  17          1HB       PHE  17  -0.118  -9.511   2.313
  121    HD1  PHE  17           HD1      PHE  17   0.460  -7.031   1.684
  122    HD2  PHE  17           HD2      PHE  17  -0.230 -10.149  -1.192
  123    HE1  PHE  17           HE1      PHE  17  -0.022  -5.328  -0.055
  124    HE2  PHE  17           HE2      PHE  17  -0.708  -8.444  -2.927
  125    HZ   PHE  17           HZ       PHE  17  -0.604  -6.035  -2.354
  126    H    HIS  18           H        HIS  18   2.582 -11.868   0.349
  127    HA   HIS  18           HA       HIS  18   4.776 -10.807  -1.132
  128   1HB   HIS  18          2HB       HIS  18   4.628 -13.152  -0.833
  129   2HB   HIS  18          1HB       HIS  18   3.010 -13.206  -1.518
  130    HD1  HIS  18           HD1      HIS  18   6.628 -12.929  -2.494
  131    HD2  HIS  18           HD2      HIS  18   2.892 -13.000  -4.278
  132    HE1  HIS  18           HE1      HIS  18   7.015 -13.186  -4.996
  133    HA   PRO  19           HA       PRO  19   2.731  -8.296  -4.084
  134   1HB   PRO  19          2HB       PRO  19   4.881  -7.872  -5.719
  135   2HB   PRO  19          1HB       PRO  19   4.654  -7.088  -4.149
  136   1HG   PRO  19          2HG       PRO  19   6.490  -9.314  -4.894
  137   2HG   PRO  19          1HG       PRO  19   6.665  -8.094  -3.623
  138   1HD   PRO  19          2HD       PRO  19   5.854 -10.767  -3.238
  139   2HD   PRO  19          1HD       PRO  19   5.689  -9.456  -2.055
  140    H    LYS  20           H        LYS  20   4.647 -10.991  -5.534
  141    HA   LYS  20           HA       LYS  20   3.777 -10.738  -8.164
  142   1HB   LYS  20          2HB       LYS  20   5.391 -12.472  -7.276
  143   2HB   LYS  20          1HB       LYS  20   3.967 -13.433  -6.923
  144   1HG   LYS  20          2HG       LYS  20   3.340 -13.576  -9.204
  145   2HG   LYS  20          1HG       LYS  20   4.426 -12.263  -9.658
  146   1HD   LYS  20          2HD       LYS  20   5.529 -14.259 -10.353
  147   2HD   LYS  20          1HD       LYS  20   6.340 -13.770  -8.866
  148   1HE   LYS  20          2HE       LYS  20   5.954 -15.933  -8.249
  149   2HE   LYS  20          1HE       LYS  20   4.351 -15.321  -7.846
  150   1HZ   LYS  20          2HZ       LYS  20   5.089 -16.436 -10.499
  151   2HZ   LYS  20          1HZ       LYS  20   4.334 -17.330  -9.267
  152   3HZ   LYS  20          3HZ       LYS  20   3.534 -16.009  -9.965
  153    H    PHE  21           H        PHE  21   1.844 -11.872  -5.450
  154    HA   PHE  21           HA       PHE  21  -0.278 -13.108  -6.896
  155   1HB   PHE  21          2HB       PHE  21  -0.589 -11.440  -4.427
  156   2HB   PHE  21          1HB       PHE  21  -1.647 -12.717  -4.967
  157    HD1  PHE  21           HD2      PHE  21   0.709 -14.617  -5.810
  158    HD2  PHE  21           HD1      PHE  21  -0.178 -12.387  -2.244
  159    HE1  PHE  21           HE2      PHE  21   2.003 -16.246  -4.460
  160    HE2  PHE  21           HE1      PHE  21   1.110 -14.019  -0.899
  161    HZ   PHE  21           HZ       PHE  21   2.201 -15.951  -2.008
  162    H    ILE  22           H        ILE  22   0.428  -9.759  -6.082
  163    HA   ILE  22           HA       ILE  22  -1.982  -8.530  -6.984
  164    HB   ILE  22           HB       ILE  22   0.860  -7.457  -6.948
  165   1HG1  ILE  22          2HG1      ILE  22  -1.305  -6.898  -4.923
  166   2HG1  ILE  22          1HG1      ILE  22  -0.285  -8.329  -4.774
  167   1HG2  ILE  22          3HG2      ILE  22  -1.816  -6.193  -7.429
  168   2HG2  ILE  22          2HG2      ILE  22  -0.543  -5.261  -6.642
  169   3HG2  ILE  22          1HG2      ILE  22  -0.288  -5.912  -8.261
  170   1HD1  ILE  22          1HD1      ILE  22   1.414  -6.106  -5.356
  171   2HD1  ILE  22          3HD1      ILE  22   0.337  -5.638  -4.040
  172   3HD1  ILE  22          2HD1      ILE  22   1.350  -7.070  -3.880
  173    H    LYS  23           H        LYS  23  -2.779  -8.392  -9.001
  174    HA   LYS  23           HA       LYS  23  -1.040  -9.018 -11.316
  175   1HB   LYS  23          2HB       LYS  23  -3.473  -9.917 -10.868
  176   2HB   LYS  23          1HB       LYS  23  -3.966  -8.357 -11.528
  177   1HG   LYS  23          2HG       LYS  23  -2.565  -8.811 -13.545
  178   2HG   LYS  23          1HG       LYS  23  -2.205 -10.412 -12.899
  179   1HD   LYS  23          2HD       LYS  23  -5.080  -9.638 -13.059
  180   2HD   LYS  23          1HD       LYS  23  -4.257  -9.974 -14.582
  181   1HE   LYS  23          2HE       LYS  23  -4.090 -11.862 -12.225
  182   2HE   LYS  23          1HE       LYS  23  -5.379 -11.973 -13.424
  183   1HZ   LYS  23          2HZ       LYS  23  -3.541 -12.028 -15.133
  184   2HZ   LYS  23          1HZ       LYS  23  -2.464 -12.286 -13.843
  185   3HZ   LYS  23          3HZ       LYS  23  -3.695 -13.410 -14.156
  186    H    GLU  24           H        GLU  24  -2.509  -6.284  -9.726
  187    HA   GLU  24           HA       GLU  24  -1.329  -4.505 -11.777
  188   1HB   GLU  24          2HB       GLU  24  -4.064  -5.061 -11.785
  189   2HB   GLU  24          1HB       GLU  24  -3.946  -3.522 -10.934
  190   1HG   GLU  24          2HG       GLU  24  -2.689  -2.542 -12.763
  191   2HG   GLU  24          1HG       GLU  24  -2.619  -4.095 -13.595
  192    HA   LEU  25           HA       LEU  25  -0.940  -2.462  -7.793
  193   1HB   LEU  25          2HB       LEU  25   1.046  -3.732  -7.456
  194   2HB   LEU  25          1HB       LEU  25   1.857  -2.977  -8.825
  195    HG   LEU  25           HG       LEU  25   0.965  -1.026  -6.821
  196   1HD1  LEU  25          1HD1      LEU  25   1.739  -3.288  -5.604
  197   2HD1  LEU  25          3HD1      LEU  25   3.326  -2.581  -5.903
  198   3HD1  LEU  25          2HD1      LEU  25   2.126  -1.691  -4.966
  199   1HD2  LEU  25          2HD2      LEU  25   3.067  -1.441  -8.747
  200   2HD2  LEU  25          1HD2      LEU  25   2.614   0.047  -7.917
  201   3HD2  LEU  25          3HD2      LEU  25   3.784  -1.051  -7.184
  202    NH1  ARG  26           NH2      ARG  26  -6.986  -0.738  -9.018
  203    NH2  ARG  26           NH1      ARG  26  -7.014  -0.816 -11.283
  204    H    ARG  26           H        ARG  26  -1.855  -0.446  -8.172
  205    HA   ARG  26           HA       ARG  26  -0.088   1.488  -9.588
  206   1HB   ARG  26          2HB       ARG  26  -2.164   2.703 -10.289
  207   2HB   ARG  26          1HB       ARG  26  -2.053   1.079 -10.963
  208   1HG   ARG  26          2HG       ARG  26  -3.408   0.496  -8.710
  209   2HG   ARG  26          1HG       ARG  26  -3.938   2.164  -8.923
  210   1HD   ARG  26          2HD       ARG  26  -5.318   1.562 -10.594
  211   2HD   ARG  26          1HD       ARG  26  -3.989   0.800 -11.464
  212    HE   ARG  26           HE       ARG  26  -4.453  -1.237  -9.983
  213   1HH1  ARG  26          1HH2      ARG  26  -6.480  -0.636  -8.161
  214   2HH1  ARG  26          2HH2      ARG  26  -7.976  -0.881  -8.999
  215   1HH2  ARG  26          2HH1      ARG  26  -6.530  -0.775 -12.157
  216   2HH2  ARG  26          1HH1      ARG  26  -8.004  -0.960 -11.268
  217    H    VAL  27           H        VAL  27   0.652   3.059  -8.244
  218    HA   VAL  27           HA       VAL  27  -0.676   3.492  -5.645
  219    HB   VAL  27           HB       VAL  27   1.332   4.932  -5.201
  220   1HG1  VAL  27          3HG1      VAL  27   1.143   2.367  -4.844
  221   2HG1  VAL  27          2HG1      VAL  27   2.236   2.252  -6.222
  222   3HG1  VAL  27          1HG1      VAL  27   2.742   3.105  -4.763
  223   1HG2  VAL  27          3HG2      VAL  27   1.642   5.330  -7.765
  224   2HG2  VAL  27          2HG2      VAL  27   3.078   5.161  -6.756
  225   3HG2  VAL  27          1HG2      VAL  27   2.518   3.799  -7.725
  226    H    ILE  28           H        ILE  28  -1.410   5.578  -4.953
  227    HA   ILE  28           HA       ILE  28  -2.221   7.346  -7.208
  228    HB   ILE  28           HB       ILE  28  -3.129   7.405  -4.311
  229   1HG1  ILE  28          2HG1      ILE  28  -3.772   5.272  -5.295
  230   2HG1  ILE  28          1HG1      ILE  28  -5.197   6.303  -5.204
  231   1HG2  ILE  28          1HG2      ILE  28  -4.043   8.780  -6.842
  232   2HG2  ILE  28          3HG2      ILE  28  -5.101   8.611  -5.441
  233   3HG2  ILE  28          2HG2      ILE  28  -3.592   9.512  -5.302
  234   1HD1  ILE  28          1HD1      ILE  28  -4.623   6.997  -7.627
  235   2HD1  ILE  28          3HD1      ILE  28  -3.554   5.594  -7.637
  236   3HD1  ILE  28          2HD1      ILE  28  -5.287   5.382  -7.384
  237    H    GLU  29           H        GLU  29  -1.480   9.450  -7.365
  238    HA   GLU  29           HA       GLU  29   0.899  10.188  -5.912
  239   1HB   GLU  29          2HB       GLU  29   0.597  12.388  -7.097
  240   2HB   GLU  29          1HB       GLU  29   0.640  10.994  -8.163
  241   1HG   GLU  29          2HG       GLU  29  -1.522  11.284  -8.822
  242   2HG   GLU  29          1HG       GLU  29  -2.058  11.691  -7.192
  243    H    SER  30           H        SER  30   0.939  12.555  -4.951
  244    HA   SER  30           HA       SER  30  -1.292  12.705  -2.970
  245   1HB   SER  30          2HB       SER  30   0.587  14.210  -1.813
  246   2HB   SER  30          1HB       SER  30   0.542  12.466  -1.615
  247    HG   SER  30           HG       SER  30   2.235  14.077  -3.159
  248    H    GLY  31           H        GLY  31  -2.031  14.816  -2.338
  249   1HA   GLY  31          2HA       GLY  31  -1.231  17.285  -3.484
  250   2HA   GLY  31          1HA       GLY  31  -2.496  16.619  -4.510
  251    HA   PRO  32           HA       PRO  32  -4.764  18.822  -1.179
  252   1HB   PRO  32          2HB       PRO  32  -6.722  19.759  -2.880
  253   2HB   PRO  32          1HB       PRO  32  -5.211  20.627  -2.556
  254   1HG   PRO  32          2HG       PRO  32  -5.995  19.049  -4.972
  255   2HG   PRO  32          1HG       PRO  32  -4.902  20.436  -4.844
  256   1HD   PRO  32          2HD       PRO  32  -4.086  17.761  -5.083
  257   2HD   PRO  32          1HD       PRO  32  -3.064  19.093  -4.506
  258    H    HIS  33           H        HIS  33  -5.871  16.833  -3.868
  259    HA   HIS  33           HA       HIS  33  -8.350  15.896  -2.835
  260   1HB   HIS  33          2HB       HIS  33  -8.039  14.006  -4.423
  261   2HB   HIS  33          1HB       HIS  33  -7.649  15.546  -5.186
  262    HD1  HIS  33           HD1      HIS  33  -5.032  16.110  -5.420
  263    HD2  HIS  33           HD2      HIS  33  -5.906  12.201  -4.279
  264    HE1  HIS  33           HE1      HIS  33  -2.865  14.823  -5.597
  265    H    CYS  34           H        CYS  34  -5.019  14.867  -2.280
  266    HA   CYS  34           HA       CYS  34  -5.704  13.520   0.167
  267   1HB   CYS  34          2HB       CYS  34  -6.124  11.909  -1.951
  268   2HB   CYS  34          1HB       CYS  34  -4.394  11.650  -1.752
  269    H    ALA  35           H        ALA  35  -4.093  14.706   1.180
  270    HA   ALA  35           HA       ALA  35  -1.528  15.294   0.069
  271   1HB   ALA  35          1HB       ALA  35  -2.491  16.536   1.976
  272   2HB   ALA  35          3HB       ALA  35  -2.324  15.101   2.988
  273   3HB   ALA  35          2HB       ALA  35  -0.888  15.913   2.364
  274    H    ASN  36           H        ASN  36  -2.620  12.612   2.131
  275    HA   ASN  36           HA       ASN  36   0.072  11.489   2.343
  276   1HB   ASN  36          2HB       ASN  36  -2.674  10.680   3.250
  277   2HB   ASN  36          1HB       ASN  36  -1.387   9.477   3.223
  278   1HD2  ASN  36          2HD2      ASN  36  -1.231  12.532   5.948
  279   2HD2  ASN  36          1HD2      ASN  36  -2.329  12.611   4.657
  280    H    THR  37           H        THR  37   1.000  10.173   0.854
  281    HA   THR  37           HA       THR  37  -0.379   9.440  -1.585
  282    HB   THR  37           HB       THR  37   2.221   8.258  -0.562
  283    HG1  THR  37           HG1      THR  37   2.915  10.228  -0.633
  284   1HG2  THR  37          1HG2      THR  37   1.026   7.364  -2.654
  285   2HG2  THR  37          3HG2      THR  37   1.406   8.920  -3.393
  286   3HG2  THR  37          2HG2      THR  37   2.707   7.861  -2.852
  287    H    GLU  38           H        GLU  38  -1.497   7.566  -2.027
  288    HA   GLU  38           HA       GLU  38  -1.355   5.374   0.001
  289   1HB   GLU  38          2HB       GLU  38  -3.813   4.995  -0.953
  290   2HB   GLU  38          1HB       GLU  38  -3.515   6.094   0.389
  291   1HG   GLU  38          2HG       GLU  38  -3.792   7.990  -0.939
  292   2HG   GLU  38          1HG       GLU  38  -3.368   7.140  -2.424
  293    H    ILE  39           H        ILE  39  -0.919   3.382  -0.818
  294    HA   ILE  39           HA       ILE  39  -0.527   3.105  -3.729
  295    HB   ILE  39           HB       ILE  39  -0.013   1.283  -1.355
  296   1HG1  ILE  39          2HG1      ILE  39   2.309   1.794  -2.889
  297   2HG1  ILE  39          1HG1      ILE  39   1.480   3.342  -2.735
  298   1HG2  ILE  39          2HG2      ILE  39   0.370   0.773  -4.313
  299   2HG2  ILE  39          1HG2      ILE  39   1.224  -0.135  -3.068
  300   3HG2  ILE  39          3HG2      ILE  39  -0.535  -0.206  -3.159
  301   1HD1  ILE  39          3HD1      ILE  39   1.568   1.752  -0.249
  302   2HD1  ILE  39          2HD1      ILE  39   3.144   2.288  -0.832
  303   3HD1  ILE  39          1HD1      ILE  39   1.877   3.469  -0.499
  304    H    ILE  40           H        ILE  40  -1.582   1.300  -4.929
  305    HA   ILE  40           HA       ILE  40  -3.984   0.132  -3.649
  306    HB   ILE  40           HB       ILE  40  -4.173   1.688  -6.250
  307   1HG1  ILE  40          2HG1      ILE  40  -5.405   2.258  -3.532
  308   2HG1  ILE  40          1HG1      ILE  40  -4.005   3.102  -4.186
  309   1HG2  ILE  40          3HG2      ILE  40  -5.593  -0.395  -6.018
  310   2HG2  ILE  40          2HG2      ILE  40  -6.337   0.342  -4.600
  311   3HG2  ILE  40          1HG2      ILE  40  -6.525   1.092  -6.185
  312   1HD1  ILE  40          3HD1      ILE  40  -5.433   3.713  -6.190
  313   2HD1  ILE  40          2HD1      ILE  40  -6.818   3.073  -5.305
  314   3HD1  ILE  40          1HD1      ILE  40  -5.932   4.460  -4.672
  315    H    VAL  41           H        VAL  41  -3.421  -1.942  -3.922
  316    HA   VAL  41           HA       VAL  41  -2.406  -2.854  -6.555
  317    HB   VAL  41           HB       VAL  41  -1.638  -4.839  -5.322
  318   1HG1  VAL  41          2HG1      VAL  41  -0.305  -2.659  -5.421
  319   2HG1  VAL  41          1HG1      VAL  41  -0.835  -2.386  -3.762
  320   3HG1  VAL  41          3HG1      VAL  41   0.153  -3.794  -4.152
  321   1HG2  VAL  41          2HG2      VAL  41  -3.615  -4.277  -3.529
  322   2HG2  VAL  41          1HG2      VAL  41  -2.260  -5.354  -3.191
  323   3HG2  VAL  41          3HG2      VAL  41  -2.199  -3.671  -2.670
  324    H    LYS  42           H        LYS  42  -3.208  -5.090  -7.187
  325    HA   LYS  42           HA       LYS  42  -6.010  -5.605  -6.320
  326   1HB   LYS  42          2HB       LYS  42  -5.177  -4.597  -8.891
  327   2HB   LYS  42          1HB       LYS  42  -5.835  -6.220  -9.093
  328   1HG   LYS  42          2HG       LYS  42  -7.408  -4.557  -7.253
  329   2HG   LYS  42          1HG       LYS  42  -7.338  -3.908  -8.892
  330   1HD   LYS  42          2HD       LYS  42  -7.901  -6.306  -9.668
  331   2HD   LYS  42          1HD       LYS  42  -8.355  -6.605  -7.991
  332   1HE   LYS  42          2HE       LYS  42 -10.054  -4.924  -8.049
  333   2HE   LYS  42          1HE       LYS  42  -9.458  -4.276  -9.577
  334   1HZ   LYS  42          2HZ       LYS  42 -10.021  -6.432 -10.608
  335   2HZ   LYS  42          1HZ       LYS  42 -10.722  -6.928  -9.141
  336   3HZ   LYS  42          3HZ       LYS  42 -11.378  -5.617  -9.993
  337    H    LEU  43           H        LEU  43  -5.697  -7.577  -5.344
  338    HA   LEU  43           HA       LEU  43  -3.722  -9.496  -6.028
  339   1HB   LEU  43          2HB       LEU  43  -6.362  -9.726  -4.589
  340   2HB   LEU  43          1HB       LEU  43  -5.278 -11.090  -4.777
  341    HG   LEU  43           HG       LEU  43  -4.399  -8.447  -3.589
  342   1HD1  LEU  43          2HD1      LEU  43  -5.391 -10.960  -2.212
  343   2HD1  LEU  43          1HD1      LEU  43  -4.538  -9.652  -1.392
  344   3HD1  LEU  43          3HD1      LEU  43  -6.112  -9.352  -2.129
  345   1HD2  LEU  43          3HD2      LEU  43  -3.198 -11.212  -3.830
  346   2HD2  LEU  43          2HD2      LEU  43  -2.504  -9.668  -4.325
  347   3HD2  LEU  43          1HD2      LEU  43  -2.633 -10.068  -2.613
  348    H    SER  44           H        SER  44  -3.781 -11.348  -7.280
  349    HA   SER  44           HA       SER  44  -5.230 -11.339  -9.701
  350   1HB   SER  44          2HB       SER  44  -3.077 -12.578  -9.238
  351   2HB   SER  44          1HB       SER  44  -4.031 -13.783  -8.379
  352    HG   SER  44           HG       SER  44  -3.578 -13.615 -10.968
  353    H    ASP  45           H        ASP  45  -6.089 -12.667  -6.566
  354    HA   ASP  45           HA       ASP  45  -8.123 -14.470  -7.453
  355   1HB   ASP  45          2HB       ASP  45  -7.622 -13.040  -4.842
  356   2HB   ASP  45          1HB       ASP  45  -9.008 -14.108  -5.066
  357    H    GLY  46           H        GLY  46  -7.969 -11.064  -7.521
  358   1HA   GLY  46          2HA       GLY  46  -9.685  -9.754  -8.622
  359   2HA   GLY  46          1HA       GLY  46 -10.890 -10.905  -8.041
  360    NH1  ARG  47           NH1      ARG  47  -8.676 -10.104   1.932
  361    NH2  ARG  47           NH2      ARG  47 -10.699 -11.038   1.518
  362    H    ARG  47           H        ARG  47  -8.284  -9.567  -6.046
  363    HA   ARG  47           HA       ARG  47 -10.395  -8.271  -4.363
  364   1HB   ARG  47          2HB       ARG  47  -8.846 -10.195  -3.503
  365   2HB   ARG  47          1HB       ARG  47  -7.616  -8.936  -3.424
  366   1HG   ARG  47          2HG       ARG  47  -8.541  -8.011  -1.576
  367   2HG   ARG  47          1HG       ARG  47 -10.165  -8.083  -2.261
  368   1HD   ARG  47          2HD       ARG  47 -10.427 -10.383  -1.599
  369   2HD   ARG  47          1HD       ARG  47  -8.728 -10.502  -1.140
  370    HE   ARG  47           HE       ARG  47 -10.268  -8.467   0.325
  371   1HH1  ARG  47          2HH1      ARG  47  -7.963  -9.442   1.698
  372   2HH1  ARG  47          1HH1      ARG  47  -8.553 -10.713   2.716
  373   1HH2  ARG  47          1HH2      ARG  47 -11.534 -11.090   0.970
  374   2HH2  ARG  47          2HH2      ARG  47 -10.579 -11.649   2.302
  375    H    GLU  48           H        GLU  48  -9.595  -6.298  -3.165
  376    HA   GLU  48           HA       GLU  48  -7.494  -4.782  -4.636
  377   1HB   GLU  48          2HB       GLU  48 -10.032  -4.274  -5.277
  378   2HB   GLU  48          1HB       GLU  48  -9.975  -3.328  -3.789
  379   1HG   GLU  48          2HG       GLU  48  -7.654  -2.519  -4.904
  380   2HG   GLU  48          1HG       GLU  48  -8.561  -2.887  -6.371
  381    H    LEU  49           H        LEU  49  -6.051  -4.087  -3.145
  382    HA   LEU  49           HA       LEU  49  -7.058  -3.278  -0.446
  383   1HB   LEU  49          2HB       LEU  49  -5.418  -5.582  -1.061
  384   2HB   LEU  49          1HB       LEU  49  -4.506  -4.427  -0.090
  385    HG   LEU  49           HG       LEU  49  -6.724  -4.345   1.343
  386   1HD1  LEU  49          3HD1      LEU  49  -7.457  -6.236  -0.559
  387   2HD1  LEU  49          2HD1      LEU  49  -6.986  -7.216   0.830
  388   3HD1  LEU  49          1HD1      LEU  49  -8.242  -5.989   1.001
  389   1HD2  LEU  49          3HD2      LEU  49  -4.362  -5.221   1.905
  390   2HD2  LEU  49          2HD2      LEU  49  -5.701  -5.875   2.847
  391   3HD2  LEU  49          1HD2      LEU  49  -5.001  -6.822   1.535
  392    H    CYS  50           H        CYS  50  -6.310  -1.248  -0.035
  393    HA   CYS  50           HA       CYS  50  -4.105  -0.152  -1.621
  394   1HB   CYS  50          2HB       CYS  50  -5.430   1.195   0.669
  395   2HB   CYS  50          1HB       CYS  50  -4.626   1.935  -0.682
  396    H    LEU  51           H        LEU  51  -2.062   0.255  -0.800
  397    HA   LEU  51           HA       LEU  51  -1.466  -1.052   1.772
  398   1HB   LEU  51          2HB       LEU  51   0.437  -0.216  -0.400
  399   2HB   LEU  51          1HB       LEU  51   0.804  -1.213   0.987
  400    HG   LEU  51           HG       LEU  51  -0.771  -1.920  -1.465
  401   1HD1  LEU  51          1HD1      LEU  51   1.682  -2.504  -1.011
  402   2HD1  LEU  51          3HD1      LEU  51   1.076  -3.595   0.235
  403   3HD1  LEU  51          2HD1      LEU  51   0.624  -3.845  -1.451
  404   1HD2  LEU  51          1HD2      LEU  51  -1.179  -3.022   1.321
  405   2HD2  LEU  51          3HD2      LEU  51  -2.401  -2.535   0.149
  406   3HD2  LEU  51          2HD2      LEU  51  -1.478  -4.013  -0.105
  407    H    ASP  52           H        ASP  52  -0.014  -0.118   3.228
  408    HA   ASP  52           HA       ASP  52  -0.144   2.849   3.311
  409   1HB   ASP  52          2HB       ASP  52  -1.030   1.418   5.223
  410   2HB   ASP  52          1HB       ASP  52   0.631   0.929   5.523
  411    HA   PRO  53           HA       PRO  53   4.166   2.565   2.115
  412   1HB   PRO  53          2HB       PRO  53   4.523   5.290   1.901
  413   2HB   PRO  53          1HB       PRO  53   3.818   4.273   0.633
  414   1HG   PRO  53          2HG       PRO  53   2.447   6.129   2.535
  415   2HG   PRO  53          1HG       PRO  53   1.988   5.669   0.887
  416   1HD   PRO  53          2HD       PRO  53   0.815   4.644   3.211
  417   2HD   PRO  53          1HD       PRO  53   0.745   3.873   1.613
  418    H    LYS  54           H        LYS  54   2.824   3.770   5.008
  419    HA   LYS  54           HA       LYS  54   5.091   5.006   6.195
  420   1HB   LYS  54          2HB       LYS  54   2.455   4.317   6.989
  421   2HB   LYS  54          1HB       LYS  54   3.549   3.606   8.174
  422   1HG   LYS  54          2HG       LYS  54   3.174   5.781   9.005
  423   2HG   LYS  54          1HG       LYS  54   4.721   5.919   8.170
  424   1HD   LYS  54          2HD       LYS  54   3.457   6.699   6.127
  425   2HD   LYS  54          1HD       LYS  54   2.000   6.742   7.119
  426   1HE   LYS  54          2HE       LYS  54   2.717   8.931   7.368
  427   2HE   LYS  54          1HE       LYS  54   3.544   8.180   8.732
  428   1HZ   LYS  54          1HZ       LYS  54   4.728   8.598   6.039
  429   2HZ   LYS  54          3HZ       LYS  54   5.026   9.570   7.396
  430   3HZ   LYS  54          2HZ       LYS  54   5.520   7.945   7.394
  431    H    GLU  55           H        GLU  55   4.238   1.618   5.675
  432    HA   GLU  55           HA       GLU  55   6.260   0.630   7.550
  433   1HB   GLU  55          2HB       GLU  55   4.466  -0.676   5.499
  434   2HB   GLU  55          1HB       GLU  55   5.699  -1.573   6.361
  435   1HG   GLU  55          2HG       GLU  55   3.828  -1.901   7.709
  436   2HG   GLU  55          1HG       GLU  55   4.620  -0.544   8.496
  437    H    ASN  56           H        ASN  56   7.885  -0.977   6.591
  438    HA   ASN  56           HA       ASN  56   9.275   0.344   4.336
  439   1HB   ASN  56          2HB       ASN  56  10.103  -1.019   6.706
  440   2HB   ASN  56          1HB       ASN  56  10.801  -1.807   5.299
  441   1HD2  ASN  56          2HD2      ASN  56  11.816   2.106   6.068
  442   2HD2  ASN  56          1HD2      ASN  56  10.369   1.490   6.704
  443    CH2  TRP  57           CH2      TRP  57   1.599  -4.525   2.563
  444    H    TRP  57           H        TRP  57   7.353  -2.437   4.999
  445    HA   TRP  57           HA       TRP  57   8.451  -4.019   2.835
  446   1HB   TRP  57          2HB       TRP  57   6.853  -5.669   3.443
  447   2HB   TRP  57          1HB       TRP  57   7.414  -4.971   4.933
  448    HD1  TRP  57           HD1      TRP  57   5.711  -3.853   6.432
  449    HE1  TRP  57           HE1      TRP  57   3.162  -3.587   6.365
  450    HE3  TRP  57           HE3      TRP  57   4.799  -5.227   1.620
  451    HZ2  TRP  57           HZ2      TRP  57   1.009  -3.855   4.521
  452    HZ3  TRP  57           HZ3      TRP  57   2.494  -5.189   0.726
  453    HH2  TRP  57           HH2      TRP  57   0.594  -4.514   2.166
  454    H    VAL  58           H        VAL  58   5.661  -1.926   3.370
  455    HA   VAL  58           HA       VAL  58   4.355  -2.488   0.864
  456    HB   VAL  58           HB       VAL  58   4.262  -0.275   2.885
  457   1HG1  VAL  58          2HG1      VAL  58   3.096  -0.175   0.103
  458   2HG1  VAL  58          1HG1      VAL  58   2.429   0.766   1.437
  459   3HG1  VAL  58          3HG1      VAL  58   4.088   1.040   0.910
  460   1HG2  VAL  58          2HG2      VAL  58   2.450  -2.402   1.835
  461   2HG2  VAL  58          1HG2      VAL  58   2.838  -1.984   3.503
  462   3HG2  VAL  58          3HG2      VAL  58   1.744  -0.966   2.572
  463    H    GLN  59           H        GLN  59   6.758  -0.045   1.851
  464    HA   GLN  59           HA       GLN  59   6.884   1.167  -0.765
  465   1HB   GLN  59          2HB       GLN  59   8.772   2.415   0.131
  466   2HB   GLN  59          1HB       GLN  59   7.453   2.398   1.296
  467   1HG   GLN  59          2HG       GLN  59   8.520   0.470   2.424
  468   2HG   GLN  59          1HG       GLN  59   9.869   0.589   1.303
  469   1HE2  GLN  59          2HE2      GLN  59  11.470   2.931   3.386
  470   2HE2  GLN  59          1HE2      GLN  59  11.604   1.602   2.337
  471    NH1  ARG  60           NH2      ARG  60  14.540  -3.369   2.986
  472    NH2  ARG  60           NH1      ARG  60  15.651  -4.057   1.132
  473    H    ARG  60           H        ARG  60   8.621  -1.440   0.843
  474    HA   ARG  60           HA       ARG  60  10.687  -1.616  -1.219
  475   1HB   ARG  60          2HB       ARG  60   9.889  -3.277   1.163
  476   2HB   ARG  60          1HB       ARG  60  10.966  -3.959  -0.051
  477   1HG   ARG  60          2HG       ARG  60  11.574  -1.222   1.000
  478   2HG   ARG  60          1HG       ARG  60  11.942  -2.613   2.021
  479   1HD   ARG  60          2HD       ARG  60  13.068  -3.581  -0.130
  480   2HD   ARG  60          1HD       ARG  60  13.064  -1.907  -0.681
  481    HE   ARG  60           HE       ARG  60  14.639  -1.366   1.050
  482   1HH1  ARG  60          1HH2      ARG  60  13.905  -2.737   3.431
  483   2HH1  ARG  60          2HH2      ARG  60  14.964  -4.105   3.516
  484   1HH2  ARG  60          2HH1      ARG  60  15.865  -3.950   0.160
  485   2HH2  ARG  60          1HH1      ARG  60  16.077  -4.794   1.658
  486    H    VAL  61           H        VAL  61   7.628  -3.236  -0.417
  487    HA   VAL  61           HA       VAL  61   7.726  -5.251  -2.444
  488    HB   VAL  61           HB       VAL  61   5.534  -3.907  -0.880
  489   1HG1  VAL  61          3HG1      VAL  61   5.224  -5.668  -3.293
  490   2HG1  VAL  61          2HG1      VAL  61   4.044  -5.741  -1.984
  491   3HG1  VAL  61          1HG1      VAL  61   4.314  -4.226  -2.846
  492   1HG2  VAL  61          2HG2      VAL  61   6.948  -5.683   0.134
  493   2HG2  VAL  61          1HG2      VAL  61   5.257  -6.169   0.016
  494   3HG2  VAL  61          3HG2      VAL  61   6.437  -6.790  -1.139
  495    H    VAL  62           H        VAL  62   6.513  -1.900  -2.486
  496    HA   VAL  62           HA       VAL  62   5.474  -1.988  -5.169
  497    HB   VAL  62           HB       VAL  62   6.460   0.304  -3.443
  498   1HG1  VAL  62          3HG1      VAL  62   5.248   0.324  -6.219
  499   2HG1  VAL  62          2HG1      VAL  62   5.210   1.730  -5.155
  500   3HG1  VAL  62          1HG1      VAL  62   6.755   1.071  -5.691
  501   1HG2  VAL  62          3HG2      VAL  62   4.232  -1.151  -3.115
  502   2HG2  VAL  62          2HG2      VAL  62   4.252   0.588  -2.829
  503   3HG2  VAL  62          1HG2      VAL  62   3.635  -0.047  -4.354
  504    H    GLU  63           H        GLU  63   8.668  -1.101  -3.840
  505    HA   GLU  63           HA       GLU  63   9.840  -0.315  -6.314
  506   1HB   GLU  63          2HB       GLU  63  10.864  -1.114  -3.623
  507   2HB   GLU  63          1HB       GLU  63  12.003  -1.114  -4.967
  508   1HG   GLU  63          2HG       GLU  63  11.719   1.191  -5.371
  509   2HG   GLU  63          1HG       GLU  63  10.204   1.253  -4.471
  510    H    LYS  64           H        LYS  64   9.912  -3.452  -4.578
  511    HA   LYS  64           HA       LYS  64  11.455  -4.822  -6.537
  512   1HB   LYS  64          2HB       LYS  64  10.632  -5.476  -4.070
  513   2HB   LYS  64          1HB       LYS  64   9.405  -6.338  -4.999
  514   1HG   LYS  64          2HG       LYS  64  11.006  -7.674  -6.105
  515   2HG   LYS  64          1HG       LYS  64  12.330  -6.584  -5.691
  516   1HD   LYS  64          2HD       LYS  64  11.632  -7.186  -3.210
  517   2HD   LYS  64          1HD       LYS  64  10.944  -8.617  -3.979
  518   1HE   LYS  64          2HE       LYS  64  13.089  -9.217  -4.928
  519   2HE   LYS  64          1HE       LYS  64  13.805  -7.699  -4.385
  520   1HZ   LYS  64          2HZ       LYS  64  12.690  -9.798  -2.600
  521   2HZ   LYS  64          1HZ       LYS  64  14.342  -9.558  -2.913
  522   3HZ   LYS  64          3HZ       LYS  64  13.452  -8.361  -2.106
  523    H    PHE  65           H        PHE  65   7.992  -4.176  -6.265
  524    HA   PHE  65           HA       PHE  65   7.175  -6.009  -8.354
  525   1HB   PHE  65          2HB       PHE  65   5.781  -4.835  -6.461
  526   2HB   PHE  65          1HB       PHE  65   5.656  -3.520  -7.621
  527    HD1  PHE  65           HD1      PHE  65   5.204  -7.240  -7.369
  528    HD2  PHE  65           HD2      PHE  65   3.987  -3.576  -9.248
  529    HE1  PHE  65           HE1      PHE  65   3.397  -8.450  -8.562
  530    HE2  PHE  65           HE2      PHE  65   2.182  -4.784 -10.444
  531    HZ   PHE  65           HZ       PHE  65   1.889  -7.222 -10.102
  532    H    LEU  66           H        LEU  66   7.808  -2.491  -8.233
  533    HA   LEU  66           HA       LEU  66   7.253  -2.069 -11.044
  534   1HB   LEU  66          2HB       LEU  66   7.602  -0.411  -8.879
  535   2HB   LEU  66          1HB       LEU  66   9.120  -0.182  -9.744
  536    HG   LEU  66           HG       LEU  66   7.405   1.439 -10.488
  537   1HD1  LEU  66          1HD1      LEU  66   9.153   0.318 -12.053
  538   2HD1  LEU  66          3HD1      LEU  66   7.768  -0.541 -12.730
  539   3HD1  LEU  66          2HD1      LEU  66   7.829   1.221 -12.790
  540   1HD2  LEU  66          1HD2      LEU  66   5.517  -0.297 -10.044
  541   2HD2  LEU  66          3HD2      LEU  66   5.338   0.792 -11.419
  542   3HD2  LEU  66          2HD2      LEU  66   5.868  -0.870 -11.675
  543    H    LYS  67           H        LYS  67  10.327  -2.297  -9.197
  544    HA   LYS  67           HA       LYS  67  11.917  -2.298 -11.650
  545   1HB   LYS  67          2HB       LYS  67  12.578  -2.787  -8.737
  546   2HB   LYS  67          1HB       LYS  67  13.785  -2.946 -10.014
  547   1HG   LYS  67          2HG       LYS  67  12.111  -0.448  -9.773
  548   2HG   LYS  67          1HG       LYS  67  13.579  -0.650  -8.817
  549   1HD   LYS  67          2HD       LYS  67  13.910  -1.330 -11.664
  550   2HD   LYS  67          1HD       LYS  67  13.502   0.361 -11.377
  551   1HE   LYS  67          2HE       LYS  67  15.736   0.607 -11.019
  552   2HE   LYS  67          1HE       LYS  67  15.377  -0.064  -9.429
  553   1HZ   LYS  67          3HZ       LYS  67  16.184  -1.635 -11.819
  554   2HZ   LYS  67          2HZ       LYS  67  17.193  -1.240 -10.511
  555   3HZ   LYS  67          1HZ       LYS  67  15.861  -2.269 -10.279
  556    NH1  ARG  68           NH2      ARG  68   4.931  -5.859 -13.996
  557    NH2  ARG  68           NH1      ARG  68   5.318  -8.094 -14.042
  558    H    ARG  68           H        ARG  68  11.631  -4.062 -12.959
  559    HA   ARG  68           HA       ARG  68  11.583  -6.771 -11.693
  560   1HB   ARG  68          2HB       ARG  68  10.677  -5.857 -14.441
  561   2HB   ARG  68          1HB       ARG  68  10.628  -7.524 -13.870
  562   1HG   ARG  68          2HG       ARG  68   9.194  -6.736 -11.946
  563   2HG   ARG  68          1HG       ARG  68   9.108  -5.161 -12.738
  564   1HD   ARG  68          2HD       ARG  68   8.030  -6.103 -14.672
  565   2HD   ARG  68          1HD       ARG  68   8.320  -7.746 -14.103
  566    HE   ARG  68           HE       ARG  68   6.803  -6.544 -12.087
  567   1HH1  ARG  68          1HH2      ARG  68   5.215  -4.936 -13.733
  568   2HH1  ARG  68          2HH2      ARG  68   4.071  -5.995 -14.488
  569   1HH2  ARG  68          2HH1      ARG  68   5.896  -8.878 -13.815
  570   2HH2  ARG  68          1HH1      ARG  68   4.457  -8.234 -14.534
  571    H    ALA  69           H        ALA  69  12.619  -8.499 -13.178
  572    HA   ALA  69           HA       ALA  69  15.161  -7.425 -14.344
  573   1HB   ALA  69          2HB       ALA  69  15.524  -8.616 -12.193
  574   2HB   ALA  69          1HB       ALA  69  14.757 -10.050 -12.874
  575   3HB   ALA  69          3HB       ALA  69  16.278  -9.462 -13.544
  576    H    GLU  70           H        GLU  70  12.899  -7.734 -15.949
  577    HA   GLU  70           HA       GLU  70  13.852  -9.740 -17.863
  578   1HB   GLU  70          2HB       GLU  70  11.722 -10.952 -18.021
  579   2HB   GLU  70          1HB       GLU  70  12.373 -11.085 -16.387
  580   1HG   GLU  70          2HG       GLU  70  10.910  -8.994 -15.873
  581   2HG   GLU  70          1HG       GLU  70  10.062  -9.407 -17.363
  582    H    ASN  71           H        ASN  71  12.708  -9.528 -19.964
  583    HA   ASN  71           HA       ASN  71  11.275  -6.914 -20.239
  584   1HB   ASN  71          2HB       ASN  71  13.478  -8.056 -21.982
  585   2HB   ASN  71          1HB       ASN  71  12.449  -6.711 -22.478
  586   1HD2  ASN  71          2HD2      ASN  71  15.461  -6.064 -19.826
  587   2HD2  ASN  71          1HD2      ASN  71  15.161  -7.613 -20.451
  588    H    SER  72           H        SER  72   9.197  -7.725 -20.576
  589    HA   SER  72           HA       SER  72   8.737 -10.072 -22.264
  590   1HB   SER  72          2HB       SER  72   6.853  -8.086 -20.961
  591   2HB   SER  72          1HB       SER  72   6.307  -9.464 -21.913
  592    HG   SER  72           HG       SER  72   6.709 -10.694 -20.263
  593   1HC   CH3  25          1H        LEU  25   0.052  -3.453 -11.756
  594   2HC   CH3  25          2H        LEU  25  -0.563  -1.850 -11.362
  595   3HC   CH3  25          3H        LEU  25   1.040  -2.340 -10.814
   
  Start of MODEL          16
 Raw file had  595 H/Q atoms
  Start of MODEL   16
    1   1H    GLU   4          3H        GLU   4 -11.811  12.702 -11.480
    2   2H    GLU   4          2H        GLU   4 -13.481  13.013 -11.504
    3   3H    GLU   4          1H        GLU   4 -12.395  14.227 -11.023
    4    HA   GLU   4           HA       GLU   4 -13.463  13.314  -9.088
    5   1HB   GLU   4          2HB       GLU   4 -12.688  10.774 -10.452
    6   2HB   GLU   4          1HB       GLU   4 -12.634  10.793  -8.689
    7   1HG   GLU   4          2HG       GLU   4 -14.975  11.625  -8.647
    8   2HG   GLU   4          1HG       GLU   4 -15.024  11.526 -10.407
    9    H    LEU   5           H        LEU   5 -12.205  13.823  -7.309
   10    HA   LEU   5           HA       LEU   5  -9.332  13.060  -7.337
   11   1HB   LEU   5          2HB       LEU   5  -8.723  15.350  -6.523
   12   2HB   LEU   5          1HB       LEU   5  -9.338  15.348  -8.173
   13    HG   LEU   5           HG       LEU   5 -11.661  15.670  -6.760
   14   1HD1  LEU   5          1HD1      LEU   5  -9.406  16.550  -5.055
   15   2HD1  LEU   5          3HD1      LEU   5 -10.705  17.728  -5.244
   16   3HD1  LEU   5          2HD1      LEU   5 -11.058  16.123  -4.608
   17   1HD2  LEU   5          2HD2      LEU   5  -9.706  17.715  -7.831
   18   2HD2  LEU   5          1HD2      LEU   5 -11.116  17.037  -8.645
   19   3HD2  LEU   5          3HD2      LEU   5 -11.328  18.143  -7.287
   20    NH1  ARG   6           NH1      ARG   6 -15.515  14.636  -6.318
   21    NH2  ARG   6           NH2      ARG   6 -16.358  15.682  -4.490
   22    H    ARG   6           H        ARG   6 -11.430  11.875  -5.868
   23    HA   ARG   6           HA       ARG   6 -11.027  12.928  -3.123
   24   1HB   ARG   6          2HB       ARG   6 -12.948  10.737  -3.886
   25   2HB   ARG   6          1HB       ARG   6 -13.007  11.819  -2.509
   26   1HG   ARG   6          2HG       ARG   6 -13.090  13.624  -4.545
   27   2HG   ARG   6          1HG       ARG   6 -13.940  12.260  -5.275
   28   1HD   ARG   6          2HD       ARG   6 -15.196  12.200  -2.950
   29   2HD   ARG   6          1HD       ARG   6 -14.680  13.883  -2.864
   30    HE   ARG   6           HE       ARG   6 -16.764  12.842  -4.584
   31   1HH1  ARG   6          2HH1      ARG   6 -15.209  13.799  -6.773
   32   2HH1  ARG   6          1HH1      ARG   6 -15.480  15.509  -6.805
   33   1HH2  ARG   6          1HH2      ARG   6 -16.696  15.645  -3.549
   34   2HH2  ARG   6          2HH2      ARG   6 -16.324  16.558  -4.974
   35    H    CYS   7           H        CYS   7 -10.423  11.453  -1.450
   36    HA   CYS   7           HA       CYS   7  -8.433   9.510  -2.229
   37   1HB   CYS   7          2HB       CYS   7  -9.732   9.800   0.493
   38   2HB   CYS   7          1HB       CYS   7  -8.163   9.102   0.129
   39    H    GLN   8           H        GLN   8  -9.212   7.728  -3.317
   40    HA   GLN   8           HA       GLN   8 -11.748   6.480  -2.754
   41   1HB   GLN   8          2HB       GLN   8 -10.944   4.715  -4.283
   42   2HB   GLN   8          1HB       GLN   8 -10.678   6.316  -4.959
   43   1HG   GLN   8          2HG       GLN   8  -8.367   6.222  -4.612
   44   2HG   GLN   8          1HG       GLN   8  -8.505   5.005  -3.344
   45   1HE2  GLN   8          2HE2      GLN   8  -8.244   3.840  -7.237
   46   2HE2  GLN   8          1HE2      GLN   8  -8.323   5.486  -6.830
   47    H    CYS   9           H        CYS   9  -8.685   6.258  -1.176
   48    HA   CYS   9           HA       CYS   9  -9.495   3.675   0.086
   49   1HB   CYS   9          2HB       CYS   9  -6.834   4.894  -0.578
   50   2HB   CYS   9          1HB       CYS   9  -6.962   3.755   0.756
   51    H    ILE  10           H        ILE  10 -10.560   4.205   1.929
   52    HA   ILE  10           HA       ILE  10  -9.932   6.572   3.503
   53    HB   ILE  10           HB       ILE  10 -11.595   4.141   4.253
   54   1HG1  ILE  10          2HG1      ILE  10 -13.166   6.453   3.645
   55   2HG1  ILE  10          1HG1      ILE  10 -12.050   6.196   2.304
   56   1HG2  ILE  10          1HG2      ILE  10 -11.380   6.937   5.400
   57   2HG2  ILE  10          3HG2      ILE  10 -12.700   5.831   5.783
   58   3HG2  ILE  10          2HG2      ILE  10 -11.044   5.415   6.223
   59   1HD1  ILE  10          2HD1      ILE  10 -13.784   4.015   3.499
   60   2HD1  ILE  10          1HD1      ILE  10 -14.221   4.945   2.066
   61   3HD1  ILE  10          3HD1      ILE  10 -12.797   3.904   2.042
   62    H    LYS  11           H        LYS  11  -9.032   3.166   3.574
   63    HA   LYS  11           HA       LYS  11  -7.146   3.776   5.816
   64   1HB   LYS  11          2HB       LYS  11  -8.814   1.267   5.442
   65   2HB   LYS  11          1HB       LYS  11  -7.525   1.439   6.632
   66   1HG   LYS  11          2HG       LYS  11  -8.796   3.513   7.467
   67   2HG   LYS  11          1HG       LYS  11 -10.151   2.928   6.502
   68   1HD   LYS  11          2HD       LYS  11 -10.665   1.809   8.432
   69   2HD   LYS  11          1HD       LYS  11  -9.506   0.643   7.795
   70   1HE   LYS  11          2HE       LYS  11  -7.857   1.255   9.288
   71   2HE   LYS  11          1HE       LYS  11  -8.425   2.920   9.395
   72   1HZ   LYS  11          3HZ       LYS  11  -9.829   0.574  10.555
   73   2HZ   LYS  11          2HZ       LYS  11  -8.840   1.642  11.430
   74   3HZ   LYS  11          1HZ       LYS  11 -10.279   2.202  10.721
   75    H    THR  12           H        THR  12  -5.410   1.911   5.887
   76    HA   THR  12           HA       THR  12  -4.759   1.084   3.090
   77    HB   THR  12           HB       THR  12  -2.285   1.376   4.224
   78    HG1  THR  12           HG1      THR  12  -2.757   2.541   5.954
   79   1HG2  THR  12          3HG2      THR  12  -3.888   3.392   2.647
   80   2HG2  THR  12          2HG2      THR  12  -2.129   3.370   2.787
   81   3HG2  THR  12          1HG2      THR  12  -2.968   2.042   1.983
   82    OH   TYR  13           OH       TYR  13  -2.798  -8.564   4.528
   83    H    TYR  13           H        TYR  13  -2.492  -0.344   3.530
   84    HA   TYR  13           HA       TYR  13  -3.492  -2.599   5.194
   85   1HB   TYR  13          2HB       TYR  13  -3.086  -2.752   2.618
   86   2HB   TYR  13          1HB       TYR  13  -1.383  -2.807   3.059
   87    HD1  TYR  13           HD1      TYR  13  -3.829  -4.202   5.377
   88    HD2  TYR  13           HD2      TYR  13  -1.210  -5.045   2.083
   89    HE1  TYR  13           HE1      TYR  13  -4.002  -6.628   5.871
   90    HE2  TYR  13           HE2      TYR  13  -1.379  -7.483   2.575
   91    HH   TYR  13           HH       TYR  13  -3.667  -8.863   4.252
   92    H    SER  14           H        SER  14  -2.320  -3.155   6.961
   93    HA   SER  14           HA       SER  14   0.386  -1.953   7.302
   94   1HB   SER  14          2HB       SER  14   0.096  -2.474   9.698
   95   2HB   SER  14          1HB       SER  14  -1.249  -1.505   9.105
   96    HG   SER  14           HG       SER  14  -2.545  -3.128   9.468
   97    H    LYS  15           H        LYS  15  -1.341  -5.039   7.237
   98    HA   LYS  15           HA       LYS  15   1.020  -6.599   7.931
   99   1HB   LYS  15          2HB       LYS  15  -1.112  -7.952   6.408
  100   2HB   LYS  15          1HB       LYS  15  -0.348  -8.419   7.909
  101   1HG   LYS  15          2HG       LYS  15  -1.681  -6.475   8.979
  102   2HG   LYS  15          1HG       LYS  15  -2.654  -6.523   7.509
  103   1HD   LYS  15          2HD       LYS  15  -2.160  -9.158   8.756
  104   2HD   LYS  15          1HD       LYS  15  -3.148  -8.058   9.715
  105   1HE   LYS  15          2HE       LYS  15  -4.917  -8.331   8.344
  106   2HE   LYS  15          1HE       LYS  15  -3.937  -7.990   6.920
  107   1HZ   LYS  15          3HZ       LYS  15  -4.067 -10.603   8.325
  108   2HZ   LYS  15          2HZ       LYS  15  -4.861 -10.227   6.870
  109   3HZ   LYS  15          1HZ       LYS  15  -3.163 -10.266   6.929
  110    HA   PRO  16           HA       PRO  16   2.674  -6.492   3.843
  111   1HB   PRO  16          2HB       PRO  16   4.703  -8.265   4.299
  112   2HB   PRO  16          1HB       PRO  16   4.716  -6.606   4.875
  113   1HG   PRO  16          2HG       PRO  16   4.339  -9.106   6.423
  114   2HG   PRO  16          1HG       PRO  16   4.862  -7.511   6.987
  115   1HD   PRO  16          2HD       PRO  16   2.241  -8.659   7.229
  116   2HD   PRO  16          1HD       PRO  16   2.735  -7.019   7.686
  117    H    PHE  17           H        PHE  17   3.047  -7.925   1.988
  118    HA   PHE  17           HA       PHE  17   2.278 -10.736   2.153
  119   1HB   PHE  17          2HB       PHE  17   0.277 -10.666   0.836
  120   2HB   PHE  17          1HB       PHE  17   0.065  -9.509   2.141
  121    HD1  PHE  17           HD2      PHE  17   0.808  -7.017   1.572
  122    HD2  PHE  17           HD1      PHE  17  -0.170 -10.009  -1.353
  123    HE1  PHE  17           HE2      PHE  17   0.351  -5.242  -0.099
  124    HE2  PHE  17           HE1      PHE  17  -0.630  -8.230  -3.020
  125    HZ   PHE  17           HZ       PHE  17  -0.369  -5.847  -2.389
  126    H    HIS  18           H        HIS  18   2.481 -11.831   0.015
  127    HA   HIS  18           HA       HIS  18   4.796 -10.888  -1.412
  128   1HB   HIS  18          2HB       HIS  18   4.552 -13.217  -1.206
  129   2HB   HIS  18          1HB       HIS  18   2.887 -13.173  -1.772
  130    HD1  HIS  18           HD1      HIS  18   6.430 -13.156  -2.999
  131    HD2  HIS  18           HD2      HIS  18   2.591 -12.850  -4.517
  132    HE1  HIS  18           HE1      HIS  18   6.625 -13.401  -5.522
  133    HA   PRO  19           HA       PRO  19   2.896  -8.171  -4.270
  134   1HB   PRO  19          2HB       PRO  19   5.008  -7.906  -5.986
  135   2HB   PRO  19          1HB       PRO  19   4.918  -7.140  -4.394
  136   1HG   PRO  19          2HG       PRO  19   6.506  -9.513  -5.255
  137   2HG   PRO  19          1HG       PRO  19   6.852  -8.335  -3.978
  138   1HD   PRO  19          2HD       PRO  19   5.820 -10.925  -3.580
  139   2HD   PRO  19          1HD       PRO  19   5.814  -9.617  -2.382
  140    H    LYS  20           H        LYS  20   4.561 -10.944  -5.878
  141    HA   LYS  20           HA       LYS  20   3.509 -10.562  -8.437
  142   1HB   LYS  20          2HB       LYS  20   5.118 -12.419  -7.545
  143   2HB   LYS  20          1HB       LYS  20   3.628 -13.346  -7.462
  144   1HG   LYS  20          2HG       LYS  20   3.813 -13.751  -9.666
  145   2HG   LYS  20          1HG       LYS  20   3.541 -12.031  -9.945
  146   1HD   LYS  20          2HD       LYS  20   5.873 -11.556  -9.961
  147   2HD   LYS  20          1HD       LYS  20   6.276 -13.129  -9.271
  148   1HE   LYS  20          2HE       LYS  20   5.245 -14.156 -11.378
  149   2HE   LYS  20          1HE       LYS  20   5.264 -12.529 -12.057
  150   1HZ   LYS  20          1HZ       LYS  20   7.660 -12.442 -11.612
  151   2HZ   LYS  20          3HZ       LYS  20   7.614 -14.043 -11.051
  152   3HZ   LYS  20          2HZ       LYS  20   7.254 -13.703 -12.676
  153    H    PHE  21           H        PHE  21   1.743 -11.627  -5.610
  154    HA   PHE  21           HA       PHE  21  -0.490 -12.859  -6.887
  155   1HB   PHE  21          2HB       PHE  21  -0.468 -11.181  -4.404
  156   2HB   PHE  21          1HB       PHE  21  -1.734 -12.290  -4.866
  157    HD1  PHE  21           HD2      PHE  21   0.403 -14.388  -5.976
  158    HD2  PHE  21           HD1      PHE  21  -0.137 -12.304  -2.256
  159    HE1  PHE  21           HE2      PHE  21   1.586 -16.207  -4.776
  160    HE2  PHE  21           HE1      PHE  21   1.040 -14.125  -1.061
  161    HZ   PHE  21           HZ       PHE  21   1.900 -16.080  -2.322
  162    H    ILE  22           H        ILE  22   0.350  -9.518  -6.192
  163    HA   ILE  22           HA       ILE  22  -2.097  -8.246  -6.907
  164    HB   ILE  22           HB       ILE  22   0.742  -7.197  -7.196
  165   1HG1  ILE  22          2HG1      ILE  22  -1.059  -6.568  -4.879
  166   2HG1  ILE  22          1HG1      ILE  22  -0.199  -8.108  -4.885
  167   1HG2  ILE  22          3HG2      ILE  22  -1.981  -5.945  -7.286
  168   2HG2  ILE  22          2HG2      ILE  22  -0.622  -5.015  -6.655
  169   3HG2  ILE  22          1HG2      ILE  22  -0.578  -5.633  -8.306
  170   1HD1  ILE  22          3HD1      ILE  22   1.854  -6.541  -5.557
  171   2HD1  ILE  22          2HD1      ILE  22   0.889  -5.331  -4.713
  172   3HD1  ILE  22          1HD1      ILE  22   1.405  -6.792  -3.871
  173    H    LYS  23           H        LYS  23  -3.080  -8.339  -8.851
  174    HA   LYS  23           HA       LYS  23  -1.581  -8.996 -11.290
  175   1HB   LYS  23          2HB       LYS  23  -4.025  -9.700 -10.666
  176   2HB   LYS  23          1HB       LYS  23  -4.456  -8.091 -11.244
  177   1HG   LYS  23          2HG       LYS  23  -3.841  -8.559 -13.433
  178   2HG   LYS  23          1HG       LYS  23  -2.676  -9.794 -12.952
  179   1HD   LYS  23          2HD       LYS  23  -4.602 -11.240 -12.234
  180   2HD   LYS  23          1HD       LYS  23  -5.697 -10.037 -12.916
  181   1HE   LYS  23          2HE       LYS  23  -5.024 -10.471 -15.110
  182   2HE   LYS  23          1HE       LYS  23  -3.470 -11.136 -14.608
  183   1HZ   LYS  23          1HZ       LYS  23  -6.098 -12.422 -14.091
  184   2HZ   LYS  23          3HZ       LYS  23  -5.057 -12.839 -15.365
  185   3HZ   LYS  23          2HZ       LYS  23  -4.565 -13.075 -13.757
  186    H    GLU  24           H        GLU  24  -2.869  -6.141  -9.694
  187    HA   GLU  24           HA       GLU  24  -1.584  -4.453 -11.773
  188   1HB   GLU  24          2HB       GLU  24  -4.492  -4.349 -10.965
  189   2HB   GLU  24          1HB       GLU  24  -3.666  -2.912 -11.572
  190   1HG   GLU  24          2HG       GLU  24  -2.960  -4.293 -13.580
  191   2HG   GLU  24          1HG       GLU  24  -4.052  -5.552 -13.004
  192    HA   LEU  25           HA       LEU  25  -0.989  -2.488  -7.774
  193   1HB   LEU  25          2HB       LEU  25   0.964  -3.892  -7.596
  194   2HB   LEU  25          1HB       LEU  25   1.787  -3.002  -8.877
  195    HG   LEU  25           HG       LEU  25   0.864  -1.299  -6.658
  196   1HD1  LEU  25          2HD1      LEU  25   1.714  -3.653  -5.727
  197   2HD1  LEU  25          1HD1      LEU  25   3.287  -2.906  -6.007
  198   3HD1  LEU  25          3HD1      LEU  25   2.123  -2.134  -4.929
  199   1HD2  LEU  25          3HD2      LEU  25   3.000  -1.475  -8.630
  200   2HD2  LEU  25          2HD2      LEU  25   2.404  -0.064  -7.758
  201   3HD2  LEU  25          1HD2      LEU  25   3.639  -1.092  -7.031
  202    NH1  ARG  26           NH1      ARG  26  -3.597   1.507 -15.239
  203    NH2  ARG  26           NH2      ARG  26  -3.867   3.723 -14.836
  204    H    ARG  26           H        ARG  26  -1.817  -0.420  -8.097
  205    HA   ARG  26           HA       ARG  26  -0.023   1.444  -9.561
  206   1HB   ARG  26          2HB       ARG  26  -2.844   0.933  -9.853
  207   2HB   ARG  26          1HB       ARG  26  -2.548   2.629  -9.492
  208   1HG   ARG  26          2HG       ARG  26  -0.917   2.741 -11.336
  209   2HG   ARG  26          1HG       ARG  26  -1.203   1.038 -11.695
  210   1HD   ARG  26          2HD       ARG  26  -3.586   1.542 -12.144
  211   2HD   ARG  26          1HD       ARG  26  -3.279   3.247 -11.820
  212    HE   ARG  26           HE       ARG  26  -1.448   2.591 -13.807
  213   1HH1  ARG  26          2HH1      ARG  26  -3.154   0.635 -15.027
  214   2HH1  ARG  26          1HH1      ARG  26  -4.274   1.557 -15.973
  215   1HH2  ARG  26          1HH2      ARG  26  -3.632   4.544 -14.313
  216   2HH2  ARG  26          2HH2      ARG  26  -4.545   3.775 -15.569
  217    H    VAL  27           H        VAL  27   0.846   3.011  -8.266
  218    HA   VAL  27           HA       VAL  27  -0.376   3.484  -5.603
  219    HB   VAL  27           HB       VAL  27   1.806   4.636  -5.138
  220   1HG1  VAL  27          1HG1      VAL  27   1.419   2.259  -4.568
  221   2HG1  VAL  27          3HG1      VAL  27   2.035   1.793  -6.152
  222   3HG1  VAL  27          2HG1      VAL  27   3.105   2.564  -4.982
  223   1HG2  VAL  27          3HG2      VAL  27   2.181   5.019  -7.693
  224   2HG2  VAL  27          2HG2      VAL  27   3.576   4.643  -6.684
  225   3HG2  VAL  27          1HG2      VAL  27   2.838   3.383  -7.672
  226    H    ILE  28           H        ILE  28  -0.846   5.644  -4.891
  227    HA   ILE  28           HA       ILE  28  -1.043   7.638  -7.123
  228    HB   ILE  28           HB       ILE  28  -2.853   7.297  -4.706
  229   1HG1  ILE  28          2HG1      ILE  28  -3.358   6.883  -7.675
  230   2HG1  ILE  28          1HG1      ILE  28  -3.176   5.594  -6.486
  231   1HG2  ILE  28          2HG2      ILE  28  -2.485   9.675  -5.454
  232   2HG2  ILE  28          1HG2      ILE  28  -3.092   9.218  -7.045
  233   3HG2  ILE  28          3HG2      ILE  28  -4.151   9.129  -5.638
  234   1HD1  ILE  28          2HD1      ILE  28  -5.120   6.631  -5.222
  235   2HD1  ILE  28          1HD1      ILE  28  -5.370   7.677  -6.620
  236   3HD1  ILE  28          3HD1      ILE  28  -5.538   5.929  -6.786
  237    H    GLU  29           H        GLU  29   0.148   9.451  -6.817
  238    HA   GLU  29           HA       GLU  29   1.753   9.831  -4.459
  239   1HB   GLU  29          2HB       GLU  29   2.425  11.940  -5.538
  240   2HB   GLU  29          1HB       GLU  29   2.473  10.607  -6.679
  241   1HG   GLU  29          2HG       GLU  29  -0.116  11.506  -6.963
  242   2HG   GLU  29          1HG       GLU  29   0.762  13.006  -6.664
  243    H    SER  30           H        SER  30   1.703  12.369  -3.677
  244    HA   SER  30           HA       SER  30  -0.964  12.653  -2.403
  245   1HB   SER  30          2HB       SER  30   0.473  14.545  -1.178
  246   2HB   SER  30          1HB       SER  30   0.559  12.859  -0.689
  247    HG   SER  30           HG       SER  30   2.624  13.900  -1.056
  248    H    GLY  31           H        GLY  31  -1.921  14.822  -2.270
  249   1HA   GLY  31          2HA       GLY  31  -1.089  17.064  -3.808
  250   2HA   GLY  31          1HA       GLY  31  -2.163  16.096  -4.809
  251    HA   PRO  32           HA       PRO  32  -4.951  18.771  -2.318
  252   1HB   PRO  32          2HB       PRO  32  -6.640  19.303  -4.430
  253   2HB   PRO  32          1HB       PRO  32  -5.212  20.281  -4.047
  254   1HG   PRO  32          2HG       PRO  32  -5.587  18.274  -6.231
  255   2HG   PRO  32          1HG       PRO  32  -4.550  19.710  -6.192
  256   1HD   PRO  32          2HD       PRO  32  -3.664  17.069  -5.820
  257   2HD   PRO  32          1HD       PRO  32  -2.763  18.527  -5.354
  258    H    HIS  33           H        HIS  33  -5.560  16.250  -4.701
  259    HA   HIS  33           HA       HIS  33  -8.171  15.439  -3.924
  260   1HB   HIS  33          2HB       HIS  33  -7.537  13.229  -4.953
  261   2HB   HIS  33          1HB       HIS  33  -7.206  14.603  -6.000
  262    HD1  HIS  33           HD1      HIS  33  -4.625  15.381  -6.130
  263    HD2  HIS  33           HD2      HIS  33  -5.294  11.739  -4.224
  264    HE1  HIS  33           HE1      HIS  33  -2.352  14.315  -5.823
  265    H    CYS  34           H        CYS  34  -4.978  14.605  -2.651
  266    HA   CYS  34           HA       CYS  34  -6.145  13.702  -0.159
  267   1HB   CYS  34          2HB       CYS  34  -5.875  11.752  -2.058
  268   2HB   CYS  34          1HB       CYS  34  -4.320  11.648  -1.234
  269    H    ALA  35           H        ALA  35  -4.829  14.633   1.326
  270    HA   ALA  35           HA       ALA  35  -2.272  15.743   0.701
  271   1HB   ALA  35          2HB       ALA  35  -3.479  15.051   3.392
  272   2HB   ALA  35          1HB       ALA  35  -2.053  16.061   3.158
  273   3HB   ALA  35          3HB       ALA  35  -3.620  16.596   2.553
  274    H    ASN  36           H        ASN  36  -3.155  12.686   2.298
  275    HA   ASN  36           HA       ASN  36  -0.312  11.970   2.624
  276   1HB   ASN  36          2HB       ASN  36  -2.932  10.805   3.489
  277   2HB   ASN  36          1HB       ASN  36  -1.529   9.745   3.401
  278   1HD2  ASN  36          2HD2      ASN  36  -1.872  12.258   6.517
  279   2HD2  ASN  36          1HD2      ASN  36  -3.135  11.979   5.417
  280    H    THR  37           H        THR  37   0.761  10.416   1.422
  281    HA   THR  37           HA       THR  37  -0.305   9.760  -1.215
  282    HB   THR  37           HB       THR  37   2.161   8.592   0.115
  283    HG1  THR  37           HG1      THR  37   1.905  10.996  -1.376
  284   1HG2  THR  37          1HG2      THR  37   1.400   7.571  -2.025
  285   2HG2  THR  37          3HG2      THR  37   1.505   9.157  -2.789
  286   3HG2  THR  37          2HG2      THR  37   2.963   8.374  -2.182
  287    H    GLU  38           H        GLU  38  -0.961   7.642  -1.933
  288    HA   GLU  38           HA       GLU  38  -1.136   5.542   0.171
  289   1HB   GLU  38          2HB       GLU  38  -3.295   7.084  -0.227
  290   2HB   GLU  38          1HB       GLU  38  -3.547   5.933  -1.539
  291   1HG   GLU  38          2HG       GLU  38  -4.472   4.582   0.024
  292   2HG   GLU  38          1HG       GLU  38  -2.824   4.301   0.582
  293    H    ILE  39           H        ILE  39  -0.729   3.535  -0.613
  294    HA   ILE  39           HA       ILE  39  -0.211   3.240  -3.513
  295    HB   ILE  39           HB       ILE  39   0.307   1.516  -1.073
  296   1HG1  ILE  39          2HG1      ILE  39   2.636   1.872  -2.571
  297   2HG1  ILE  39          1HG1      ILE  39   1.814   3.427  -2.686
  298   1HG2  ILE  39          1HG2      ILE  39   0.554   0.812  -3.999
  299   2HG2  ILE  39          3HG2      ILE  39   1.558   0.034  -2.777
  300   3HG2  ILE  39          2HG2      ILE  39  -0.196  -0.122  -2.706
  301   1HD1  ILE  39          1HD1      ILE  39   1.975   2.093  -0.009
  302   2HD1  ILE  39          3HD1      ILE  39   3.412   2.896  -0.639
  303   3HD1  ILE  39          2HD1      ILE  39   1.924   3.811  -0.401
  304    H    ILE  40           H        ILE  40  -1.227   1.392  -4.697
  305    HA   ILE  40           HA       ILE  40  -3.639   0.232  -3.426
  306    HB   ILE  40           HB       ILE  40  -3.847   1.612  -6.118
  307   1HG1  ILE  40          2HG1      ILE  40  -5.014   2.578  -3.493
  308   2HG1  ILE  40          1HG1      ILE  40  -3.487   3.184  -4.129
  309   1HG2  ILE  40          2HG2      ILE  40  -5.865   0.391  -4.206
  310   2HG2  ILE  40          1HG2      ILE  40  -6.289   1.279  -5.670
  311   3HG2  ILE  40          3HG2      ILE  40  -5.402  -0.241  -5.786
  312   1HD1  ILE  40          1HD1      ILE  40  -6.111   3.248  -5.645
  313   2HD1  ILE  40          3HD1      ILE  40  -5.441   4.616  -4.755
  314   3HD1  ILE  40          2HD1      ILE  40  -4.583   3.967  -6.154
  315    H    VAL  41           H        VAL  41  -3.893  -1.849  -4.056
  316    HA   VAL  41           HA       VAL  41  -2.559  -2.776  -6.538
  317    HB   VAL  41           HB       VAL  41  -1.891  -4.813  -5.272
  318   1HG1  VAL  41          2HG1      VAL  41  -0.352  -2.867  -5.643
  319   2HG1  VAL  41          1HG1      VAL  41  -0.804  -2.278  -4.044
  320   3HG1  VAL  41          3HG1      VAL  41   0.039  -3.817  -4.210
  321   1HG2  VAL  41          2HG2      VAL  41  -3.668  -4.109  -3.396
  322   2HG2  VAL  41          1HG2      VAL  41  -2.262  -5.107  -3.023
  323   3HG2  VAL  41          3HG2      VAL  41  -2.227  -3.376  -2.693
  324    H    LYS  42           H        LYS  42  -3.464  -4.933  -7.228
  325    HA   LYS  42           HA       LYS  42  -6.215  -5.430  -6.198
  326   1HB   LYS  42          2HB       LYS  42  -5.541  -4.334  -8.767
  327   2HB   LYS  42          1HB       LYS  42  -6.193  -5.954  -9.007
  328   1HG   LYS  42          2HG       LYS  42  -8.076  -5.266  -7.403
  329   2HG   LYS  42          1HG       LYS  42  -7.498  -3.612  -7.611
  330   1HD   LYS  42          2HD       LYS  42  -9.120  -3.767  -9.289
  331   2HD   LYS  42          1HD       LYS  42  -7.646  -4.166 -10.171
  332   1HE   LYS  42          2HE       LYS  42  -8.109  -6.516 -10.061
  333   2HE   LYS  42          1HE       LYS  42  -9.410  -6.271  -8.896
  334   1HZ   LYS  42          1HZ       LYS  42  -9.435  -5.169 -11.652
  335   2HZ   LYS  42          3HZ       LYS  42 -10.163  -6.640 -11.220
  336   3HZ   LYS  42          2HZ       LYS  42 -10.719  -5.187 -10.538
  337    H    LEU  43           H        LEU  43  -5.725  -7.386  -5.228
  338    HA   LEU  43           HA       LEU  43  -3.890  -9.331  -6.123
  339   1HB   LEU  43          2HB       LEU  43  -6.420  -9.595  -4.496
  340   2HB   LEU  43          1HB       LEU  43  -5.306 -10.921  -4.750
  341    HG   LEU  43           HG       LEU  43  -4.479  -8.248  -3.589
  342   1HD1  LEU  43          2HD1      LEU  43  -6.144  -9.778  -2.241
  343   2HD1  LEU  43          1HD1      LEU  43  -4.711 -10.771  -1.975
  344   3HD1  LEU  43          3HD1      LEU  43  -4.735  -9.093  -1.432
  345   1HD2  LEU  43          2HD2      LEU  43  -2.952 -10.257  -4.720
  346   2HD2  LEU  43          1HD2      LEU  43  -2.368  -9.085  -3.538
  347   3HD2  LEU  43          3HD2      LEU  43  -2.918 -10.674  -3.006
  348    H    SER  44           H        SER  44  -4.058 -11.106  -7.451
  349    HA   SER  44           HA       SER  44  -5.765 -11.036  -9.695
  350   1HB   SER  44          2HB       SER  44  -4.131 -13.282  -8.510
  351   2HB   SER  44          1HB       SER  44  -4.989 -13.428 -10.042
  352    HG   SER  44           HG       SER  44  -3.349 -12.442 -10.889
  353    H    ASP  45           H        ASP  45  -6.251 -12.497  -6.538
  354    HA   ASP  45           HA       ASP  45  -8.341 -14.303  -7.255
  355   1HB   ASP  45          2HB       ASP  45  -7.520 -12.965  -4.688
  356   2HB   ASP  45          1HB       ASP  45  -8.989 -13.937  -4.760
  357    H    GLY  46           H        GLY  46  -8.267 -10.888  -7.218
  358   1HA   GLY  46          2HA       GLY  46 -10.140  -9.623  -8.131
  359   2HA   GLY  46          1HA       GLY  46 -11.236 -10.797  -7.401
  360    NH1  ARG  47           NH2      ARG  47 -11.405  -8.826   1.405
  361    NH2  ARG  47           NH1      ARG  47 -10.295 -10.697   2.044
  362    H    ARG  47           H        ARG  47  -8.438  -9.443  -5.709
  363    HA   ARG  47           HA       ARG  47 -10.352  -8.140  -3.814
  364   1HB   ARG  47          2HB       ARG  47  -8.736 -10.065  -3.117
  365   2HB   ARG  47          1HB       ARG  47  -7.488  -8.824  -3.189
  366   1HG   ARG  47          2HG       ARG  47  -8.216  -7.818  -1.288
  367   2HG   ARG  47          1HG       ARG  47  -9.913  -7.988  -1.742
  368   1HD   ARG  47          2HD       ARG  47  -9.959 -10.282  -1.003
  369   2HD   ARG  47          1HD       ARG  47  -8.212 -10.294  -0.764
  370    HE   ARG  47           HE       ARG  47  -8.634  -8.581   1.076
  371   1HH1  ARG  47          1HH2      ARG  47 -11.431  -7.967   0.894
  372   2HH1  ARG  47          2HH2      ARG  47 -12.201  -9.115   1.937
  373   1HH2  ARG  47          2HH1      ARG  47  -9.472 -11.265   2.022
  374   2HH2  ARG  47          1HH1      ARG  47 -11.089 -10.988   2.577
  375    H    GLU  48           H        GLU  48  -9.470  -6.150  -2.738
  376    HA   GLU  48           HA       GLU  48  -7.484  -4.653  -4.373
  377   1HB   GLU  48          2HB       GLU  48  -9.974  -4.133  -4.976
  378   2HB   GLU  48          1HB       GLU  48 -10.006  -3.298  -3.423
  379   1HG   GLU  48          2HG       GLU  48  -8.377  -1.734  -4.086
  380   2HG   GLU  48          1HG       GLU  48  -7.806  -2.753  -5.409
  381    H    LEU  49           H        LEU  49  -5.938  -4.033  -2.942
  382    HA   LEU  49           HA       LEU  49  -6.818  -3.161  -0.213
  383   1HB   LEU  49          2HB       LEU  49  -5.109  -5.408  -0.931
  384   2HB   LEU  49          1HB       LEU  49  -4.261  -4.255   0.097
  385    HG   LEU  49           HG       LEU  49  -6.460  -4.312   1.524
  386   1HD1  LEU  49          2HD1      LEU  49  -6.750  -6.600  -0.363
  387   2HD1  LEU  49          1HD1      LEU  49  -7.171  -6.898   1.324
  388   3HD1  LEU  49          3HD1      LEU  49  -7.993  -5.626   0.423
  389   1HD2  LEU  49          2HD2      LEU  49  -4.090  -5.259   2.001
  390   2HD2  LEU  49          1HD2      LEU  49  -5.436  -5.910   2.934
  391   3HD2  LEU  49          3HD2      LEU  49  -4.783  -6.822   1.574
  392    H    CYS  50           H        CYS  50  -6.048  -1.158   0.251
  393    HA   CYS  50           HA       CYS  50  -3.955   0.028  -1.451
  394   1HB   CYS  50          2HB       CYS  50  -4.791   1.560   0.877
  395   2HB   CYS  50          1HB       CYS  50  -4.732   2.040  -0.800
  396    H    LEU  51           H        LEU  51  -1.829   0.245  -0.758
  397    HA   LEU  51           HA       LEU  51  -1.200  -1.020   1.814
  398   1HB   LEU  51          2HB       LEU  51   0.675  -0.116  -0.357
  399   2HB   LEU  51          1HB       LEU  51   1.069  -1.130   1.008
  400    HG   LEU  51           HG       LEU  51  -0.492  -1.822  -1.453
  401   1HD1  LEU  51          2HD1      LEU  51   1.954  -2.397  -1.002
  402   2HD1  LEU  51          1HD1      LEU  51   1.363  -3.486   0.252
  403   3HD1  LEU  51          3HD1      LEU  51   0.909  -3.752  -1.430
  404   1HD2  LEU  51          3HD2      LEU  51  -0.913  -2.971   1.314
  405   2HD2  LEU  51          2HD2      LEU  51  -2.133  -2.453   0.154
  406   3HD2  LEU  51          1HD2      LEU  51  -1.215  -3.929  -0.134
  407    H    ASP  52           H        ASP  52   0.256  -0.111   3.277
  408    HA   ASP  52           HA       ASP  52   0.086   2.853   3.440
  409   1HB   ASP  52          2HB       ASP  52  -0.693   1.148   5.291
  410   2HB   ASP  52          1HB       ASP  52   1.025   1.063   5.667
  411    HA   PRO  53           HA       PRO  53   4.407   2.753   2.294
  412   1HB   PRO  53          2HB       PRO  53   4.739   5.489   2.378
  413   2HB   PRO  53          1HB       PRO  53   4.046   4.611   1.004
  414   1HG   PRO  53          2HG       PRO  53   2.652   6.228   3.102
  415   2HG   PRO  53          1HG       PRO  53   2.205   5.963   1.407
  416   1HD   PRO  53          2HD       PRO  53   1.020   4.666   3.579
  417   2HD   PRO  53          1HD       PRO  53   0.984   4.073   1.904
  418    H    LYS  54           H        LYS  54   3.022   3.690   5.278
  419    HA   LYS  54           HA       LYS  54   5.239   4.801   6.644
  420   1HB   LYS  54          2HB       LYS  54   2.712   3.437   7.424
  421   2HB   LYS  54          1HB       LYS  54   3.987   3.495   8.640
  422   1HG   LYS  54          2HG       LYS  54   3.963   5.820   8.757
  423   2HG   LYS  54          1HG       LYS  54   3.302   5.998   7.132
  424   1HD   LYS  54          2HD       LYS  54   1.491   6.533   8.564
  425   2HD   LYS  54          1HD       LYS  54   1.179   4.872   8.062
  426   1HE   LYS  54          2HE       LYS  54   1.935   3.988  10.136
  427   2HE   LYS  54          1HE       LYS  54   2.699   5.510  10.594
  428   1HZ   LYS  54          1HZ       LYS  54  -0.223   5.208  10.182
  429   2HZ   LYS  54          3HZ       LYS  54   0.527   5.052  11.695
  430   3HZ   LYS  54          2HZ       LYS  54   0.594   6.532  10.865
  431    H    GLU  55           H        GLU  55   4.426   1.460   5.807
  432    HA   GLU  55           HA       GLU  55   6.504   0.339   7.541
  433   1HB   GLU  55          2HB       GLU  55   4.797  -0.873   5.355
  434   2HB   GLU  55          1HB       GLU  55   5.920  -1.778   6.354
  435   1HG   GLU  55          2HG       GLU  55   4.110  -2.089   7.690
  436   2HG   GLU  55          1HG       GLU  55   4.506  -0.481   8.267
  437    H    ASN  56           H        ASN  56   8.187  -1.051   6.541
  438    HA   ASN  56           HA       ASN  56   9.457   0.338   4.262
  439   1HB   ASN  56          2HB       ASN  56  10.390  -1.047   6.582
  440   2HB   ASN  56          1HB       ASN  56  11.060  -1.795   5.140
  441   1HD2  ASN  56          2HD2      ASN  56  13.469   0.759   4.901
  442   2HD2  ASN  56          1HD2      ASN  56  13.106  -0.895   4.788
  443    CH2  TRP  57           CH2      TRP  57   1.805  -4.527   2.487
  444    H    TRP  57           H        TRP  57   7.598  -2.466   4.945
  445    HA   TRP  57           HA       TRP  57   8.634  -4.044   2.758
  446   1HB   TRP  57          2HB       TRP  57   7.055  -5.688   3.401
  447   2HB   TRP  57          1HB       TRP  57   7.614  -4.973   4.884
  448    HD1  TRP  57           HD1      TRP  57   5.885  -3.905   6.398
  449    HE1  TRP  57           HE1      TRP  57   3.334  -3.663   6.314
  450    HE3  TRP  57           HE3      TRP  57   5.016  -5.192   1.552
  451    HZ2  TRP  57           HZ2      TRP  57   1.199  -3.899   4.457
  452    HZ3  TRP  57           HZ3      TRP  57   2.716  -5.151   0.643
  453    HH2  TRP  57           HH2      TRP  57   0.803  -4.514   2.084
  454    H    VAL  58           H        VAL  58   5.845  -1.942   3.330
  455    HA   VAL  58           HA       VAL  58   4.514  -2.508   0.839
  456    HB   VAL  58           HB       VAL  58   4.465  -0.237   2.804
  457   1HG1  VAL  58          1HG1      VAL  58   3.322  -0.227   0.017
  458   2HG1  VAL  58          3HG1      VAL  58   2.538   0.672   1.315
  459   3HG1  VAL  58          2HG1      VAL  58   4.195   1.057   0.854
  460   1HG2  VAL  58          2HG2      VAL  58   2.589  -2.365   1.834
  461   2HG2  VAL  58          1HG2      VAL  58   3.090  -1.993   3.483
  462   3HG2  VAL  58          3HG2      VAL  58   1.963  -0.931   2.645
  463    H    GLN  59           H        GLN  59   6.968  -0.092   1.766
  464    HA   GLN  59           HA       GLN  59   7.087   1.082  -0.870
  465   1HB   GLN  59          2HB       GLN  59   9.035   2.292  -0.010
  466   2HB   GLN  59          1HB       GLN  59   7.696   2.368   1.131
  467   1HG   GLN  59          2HG       GLN  59   8.665   0.480   2.374
  468   2HG   GLN  59          1HG       GLN  59  10.015   0.442   1.249
  469   1HE2  GLN  59          2HE2      GLN  59   9.808   3.475   4.018
  470   2HE2  GLN  59          1HE2      GLN  59   8.417   2.564   3.673
  471    NH1  ARG  60           NH2      ARG  60  15.176  -5.271   1.182
  472    NH2  ARG  60           NH1      ARG  60  15.854  -3.880   2.840
  473    H    ARG  60           H        ARG  60   8.717  -1.589   0.713
  474    HA   ARG  60           HA       ARG  60  10.781  -1.783  -1.368
  475   1HB   ARG  60          2HB       ARG  60  10.061  -3.335   1.097
  476   2HB   ARG  60          1HB       ARG  60  11.028  -4.126  -0.146
  477   1HG   ARG  60          2HG       ARG  60  12.593  -2.152  -0.081
  478   2HG   ARG  60          1HG       ARG  60  11.689  -1.554   1.311
  479   1HD   ARG  60          2HD       ARG  60  12.611  -3.081   2.717
  480   2HD   ARG  60          1HD       ARG  60  12.492  -4.381   1.530
  481    HE   ARG  60           HE       ARG  60  14.573  -2.440   0.882
  482   1HH1  ARG  60          1HH2      ARG  60  14.594  -5.455   0.390
  483   2HH1  ARG  60          2HH2      ARG  60  15.821  -5.967   1.499
  484   1HH2  ARG  60          2HH1      ARG  60  15.790  -3.001   3.314
  485   2HH2  ARG  60          1HH1      ARG  60  16.501  -4.573   3.160
  486    H    VAL  61           H        VAL  61   7.718  -3.334  -0.493
  487    HA   VAL  61           HA       VAL  61   7.763  -5.403  -2.477
  488    HB   VAL  61           HB       VAL  61   5.590  -4.012  -0.914
  489   1HG1  VAL  61          2HG1      VAL  61   5.268  -5.931  -3.210
  490   2HG1  VAL  61          1HG1      VAL  61   4.085  -5.873  -1.905
  491   3HG1  VAL  61          3HG1      VAL  61   4.384  -4.440  -2.890
  492   1HG2  VAL  61          1HG2      VAL  61   6.622  -6.862  -1.041
  493   2HG2  VAL  61          3HG2      VAL  61   6.959  -5.690   0.232
  494   3HG2  VAL  61          2HG2      VAL  61   5.321  -6.305   0.010
  495    H    VAL  62           H        VAL  62   6.614  -2.032  -2.537
  496    HA   VAL  62           HA       VAL  62   5.527  -2.182  -5.218
  497    HB   VAL  62           HB       VAL  62   6.406   0.156  -3.494
  498   1HG1  VAL  62          2HG1      VAL  62   5.175   0.104  -6.259
  499   2HG1  VAL  62          1HG1      VAL  62   5.057   1.506  -5.196
  500   3HG1  VAL  62          3HG1      VAL  62   6.637   0.943  -5.740
  501   1HG2  VAL  62          3HG2      VAL  62   4.294  -1.378  -3.064
  502   2HG2  VAL  62          2HG2      VAL  62   4.155   0.374  -2.926
  503   3HG2  VAL  62          1HG2      VAL  62   3.602  -0.441  -4.389
  504    H    GLU  63           H        GLU  63   8.676  -1.157  -3.877
  505    HA   GLU  63           HA       GLU  63   9.815  -0.349  -6.370
  506   1HB   GLU  63          2HB       GLU  63  10.618  -0.265  -3.726
  507   2HB   GLU  63          1HB       GLU  63  11.714  -1.457  -4.421
  508   1HG   GLU  63          2HG       GLU  63  11.239   1.069  -5.953
  509   2HG   GLU  63          1HG       GLU  63  12.265   1.150  -4.522
  510    H    LYS  64           H        LYS  64   9.726  -3.465  -4.662
  511    HA   LYS  64           HA       LYS  64  11.437  -4.803  -6.563
  512   1HB   LYS  64          2HB       LYS  64  10.800  -5.416  -4.063
  513   2HB   LYS  64          1HB       LYS  64   9.498  -6.305  -4.854
  514   1HG   LYS  64          2HG       LYS  64  10.960  -7.756  -5.937
  515   2HG   LYS  64          1HG       LYS  64  12.300  -6.610  -5.883
  516   1HD   LYS  64          2HD       LYS  64  12.877  -8.230  -4.261
  517   2HD   LYS  64          1HD       LYS  64  12.193  -6.907  -3.315
  518   1HE   LYS  64          2HE       LYS  64  11.022  -8.697  -2.417
  519   2HE   LYS  64          1HE       LYS  64   9.927  -8.229  -3.717
  520   1HZ   LYS  64          3HZ       LYS  64  12.014 -10.335  -3.901
  521   2HZ   LYS  64          2HZ       LYS  64  10.350 -10.612  -3.706
  522   3HZ   LYS  64          1HZ       LYS  64  10.932  -9.897  -5.132
  523    H    PHE  65           H        PHE  65   8.193  -3.785  -6.673
  524    HA   PHE  65           HA       PHE  65   7.287  -5.951  -8.468
  525   1HB   PHE  65          2HB       PHE  65   5.904  -4.700  -6.626
  526   2HB   PHE  65          1HB       PHE  65   5.745  -3.445  -7.843
  527    HD1  PHE  65           HD2      PHE  65   5.508  -7.206  -7.659
  528    HD2  PHE  65           HD1      PHE  65   3.865  -3.542  -9.187
  529    HE1  PHE  65           HE2      PHE  65   3.683  -8.477  -8.761
  530    HE2  PHE  65           HE1      PHE  65   2.044  -4.812 -10.287
  531    HZ   PHE  65           HZ       PHE  65   1.953  -7.282 -10.073
  532    H    LEU  66           H        LEU  66   7.965  -2.451  -8.550
  533    HA   LEU  66           HA       LEU  66   7.607  -2.464 -11.507
  534   1HB   LEU  66          2HB       LEU  66   6.542  -0.708  -9.974
  535   2HB   LEU  66          1HB       LEU  66   8.168  -0.064  -9.759
  536    HG   LEU  66           HG       LEU  66   8.379   0.279 -12.180
  537   1HD1  LEU  66          2HD1      LEU  66   5.644  -1.014 -12.208
  538   2HD1  LEU  66          1HD1      LEU  66   6.207   0.002 -13.535
  539   3HD1  LEU  66          3HD1      LEU  66   7.078  -1.476 -13.126
  540   1HD2  LEU  66          1HD2      LEU  66   5.783   1.377 -11.054
  541   2HD2  LEU  66          3HD2      LEU  66   7.383   2.077 -10.813
  542   3HD2  LEU  66          2HD2      LEU  66   6.667   2.049 -12.424
  543    H    LYS  67           H        LYS  67  10.065  -1.860  -9.030
  544    HA   LYS  67           HA       LYS  67  12.313  -1.214  -9.224
  545   1HB   LYS  67          2HB       LYS  67  13.617  -2.995 -10.523
  546   2HB   LYS  67          1HB       LYS  67  12.632  -3.533  -9.168
  547   1HG   LYS  67          2HG       LYS  67  11.378  -3.480 -11.883
  548   2HG   LYS  67          1HG       LYS  67  12.527  -4.766 -11.519
  549   1HD   LYS  67          2HD       LYS  67  11.102  -4.873  -9.262
  550   2HD   LYS  67          1HD       LYS  67   9.854  -4.223 -10.323
  551   1HE   LYS  67          2HE       LYS  67  11.476  -6.552 -11.290
  552   2HE   LYS  67          1HE       LYS  67  10.203  -6.847 -10.107
  553   1HZ   LYS  67          1HZ       LYS  67   8.645  -5.698 -11.586
  554   2HZ   LYS  67          3HZ       LYS  67   9.876  -5.507 -12.737
  555   3HZ   LYS  67          2HZ       LYS  67   9.334  -7.064 -12.325
  556    NH1  ARG  68           NH2      ARG  68   9.360   3.286 -16.291
  557    NH2  ARG  68           NH1      ARG  68   7.579   4.143 -15.181
  558    H    ARG  68           H        ARG  68  12.105   0.823 -10.347
  559    HA   ARG  68           HA       ARG  68  13.378   0.717 -13.021
  560   1HB   ARG  68          2HB       ARG  68  11.776   2.375 -13.947
  561   2HB   ARG  68          1HB       ARG  68  10.996   0.848 -13.550
  562   1HG   ARG  68          2HG       ARG  68  10.273   1.829 -11.367
  563   2HG   ARG  68          1HG       ARG  68  10.960   3.373 -11.872
  564   1HD   ARG  68          2HD       ARG  68   8.819   1.872 -13.408
  565   2HD   ARG  68          1HD       ARG  68   8.500   3.212 -12.308
  566    HE   ARG  68           HE       ARG  68  10.239   4.407 -13.971
  567   1HH1  ARG  68          1HH2      ARG  68  10.309   2.969 -16.292
  568   2HH1  ARG  68          2HH2      ARG  68   8.827   3.266 -17.136
  569   1HH2  ARG  68          2HH1      ARG  68   7.165   4.480 -14.334
  570   2HH2  ARG  68          1HH1      ARG  68   7.041   4.125 -16.025
  571    H    ALA  69           H        ALA  69  13.501   3.352 -13.656
  572    HA   ALA  69           HA       ALA  69  15.316   4.386 -11.603
  573   1HB   ALA  69          1HB       ALA  69  14.495   5.286 -14.358
  574   2HB   ALA  69          3HB       ALA  69  15.408   6.364 -13.301
  575   3HB   ALA  69          2HB       ALA  69  16.092   4.811 -13.779
  576    H    GLU  70           H        GLU  70  12.654   6.089 -13.318
  577    HA   GLU  70           HA       GLU  70  11.949   7.351 -10.692
  578   1HB   GLU  70          2HB       GLU  70  11.752   8.571 -13.468
  579   2HB   GLU  70          1HB       GLU  70  11.312   9.366 -11.958
  580   1HG   GLU  70          2HG       GLU  70  13.541   9.505 -11.227
  581   2HG   GLU  70          1HG       GLU  70  14.081   8.240 -12.332
  582    H    ASN  71           H        ASN  71   9.576   8.649 -11.835
  583    HA   ASN  71           HA       ASN  71   7.882   6.502 -12.897
  584   1HB   ASN  71          2HB       ASN  71   6.281   6.616 -10.968
  585   2HB   ASN  71          1HB       ASN  71   7.834   5.899 -10.543
  586   1HD2  ASN  71          2HD2      ASN  71   8.749   8.532  -8.327
  587   2HD2  ASN  71          1HD2      ASN  71   9.301   7.171  -9.178
  588    H    SER  72           H        SER  72   5.663   7.313 -13.357
  589    HA   SER  72           HA       SER  72   4.203   8.923 -14.221
  590   1HB   SER  72          2HB       SER  72   5.607  10.810 -12.302
  591   2HB   SER  72          1HB       SER  72   4.019  11.041 -13.028
  592    HG   SER  72           HG       SER  72   4.734   9.612 -10.842
  593   1HC   CH3  25          1H        LEU  25  -0.100  -3.488 -11.756
  594   2HC   CH3  25          2H        LEU  25  -0.606  -1.850 -11.342
  595   3HC   CH3  25          3H        LEU  25   0.961  -2.455 -10.801
   
  Start of MODEL          17
 Raw file had  595 H/Q atoms
  Start of MODEL   17
    1   1H    GLU   4          1H        GLU   4 -12.889  13.595  -9.019
    2   2H    GLU   4          3H        GLU   4 -14.241  12.586  -8.830
    3   3H    GLU   4          2H        GLU   4 -14.214  14.116  -8.093
    4    HA   GLU   4           HA       GLU   4 -13.760  12.677  -6.350
    5   1HB   GLU   4          2HB       GLU   4 -12.008  10.881  -6.579
    6   2HB   GLU   4          1HB       GLU   4 -13.423  10.632  -7.599
    7   1HG   GLU   4          2HG       GLU   4 -12.155  11.733  -9.488
    8   2HG   GLU   4          1HG       GLU   4 -10.727  11.724  -8.454
    9    H    LEU   5           H        LEU   5 -12.421  13.550  -4.792
   10    HA   LEU   5           HA       LEU   5  -9.729  14.488  -5.539
   11   1HB   LEU   5          2HB       LEU   5 -10.240  16.740  -4.372
   12   2HB   LEU   5          1HB       LEU   5 -10.797  16.526  -6.024
   13    HG   LEU   5           HG       LEU   5 -12.472  17.584  -4.435
   14   1HD1  LEU   5          2HD1      LEU   5 -12.866  15.932  -6.563
   15   2HD1  LEU   5          1HD1      LEU   5 -13.807  15.105  -5.321
   16   3HD1  LEU   5          3HD1      LEU   5 -14.157  16.787  -5.721
   17   1HD2  LEU   5          2HD2      LEU   5 -12.013  16.176  -2.459
   18   2HD2  LEU   5          1HD2      LEU   5 -13.711  16.079  -2.922
   19   3HD2  LEU   5          3HD2      LEU   5 -12.612  14.761  -3.321
   20    NH1  ARG   6           NH2      ARG   6 -12.866  11.831   3.800
   21    NH2  ARG   6           NH1      ARG   6 -14.396  13.453   3.392
   22    H    ARG   6           H        ARG   6 -10.385  12.367  -3.906
   23    HA   ARG   6           HA       ARG   6  -9.261  13.301  -1.336
   24   1HB   ARG   6          2HB       ARG   6 -12.023  12.704  -1.636
   25   2HB   ARG   6          1HB       ARG   6 -11.308  11.365  -0.742
   26   1HG   ARG   6          2HG       ARG   6 -10.422  12.850   0.930
   27   2HG   ARG   6          1HG       ARG   6 -10.842  14.271  -0.028
   28   1HD   ARG   6          2HD       ARG   6 -13.099  14.109   0.463
   29   2HD   ARG   6          1HD       ARG   6 -13.030  12.363   0.703
   30    HE   ARG   6           HE       ARG   6 -11.665  14.080   2.704
   31   1HH1  ARG   6          1HH2      ARG   6 -11.963  11.432   3.639
   32   2HH1  ARG   6          2HH2      ARG   6 -13.501  11.389   4.433
   33   1HH2  ARG   6          2HH1      ARG   6 -14.664  14.293   2.919
   34   2HH2  ARG   6          1HH1      ARG   6 -15.033  13.012   4.025
   35    H    CYS   7           H        CYS   7  -9.466  10.888   0.042
   36    HA   CYS   7           HA       CYS   7  -7.639   9.185  -1.563
   37   1HB   CYS   7          2HB       CYS   7  -8.187   9.547   1.358
   38   2HB   CYS   7          1HB       CYS   7  -7.554   7.998   0.808
   39    H    GLN   8           H        GLN   8  -8.439   7.407  -2.543
   40    HA   GLN   8           HA       GLN   8 -11.160   6.544  -2.269
   41   1HB   GLN   8          2HB       GLN   8  -9.004   5.987  -3.990
   42   2HB   GLN   8          1HB       GLN   8  -9.419   4.439  -3.253
   43   1HG   GLN   8          2HG       GLN   8 -11.571   6.248  -4.344
   44   2HG   GLN   8          1HG       GLN   8 -10.692   5.147  -5.406
   45   1HE2  GLN   8          2HE2      GLN   8 -13.578   3.681  -2.985
   46   2HE2  GLN   8          1HE2      GLN   8 -13.269   5.346  -3.106
   47    H    CYS   9           H        CYS   9  -8.364   5.879  -0.340
   48    HA   CYS   9           HA       CYS   9  -9.880   3.695   1.036
   49   1HB   CYS   9          2HB       CYS   9  -7.119   3.730   0.010
   50   2HB   CYS   9          1HB       CYS   9  -7.255   3.193   1.681
   51    H    ILE  10           H        ILE  10 -10.629   4.710   2.847
   52    HA   ILE  10           HA       ILE  10  -9.214   6.844   4.205
   53    HB   ILE  10           HB       ILE  10 -11.446   5.026   5.189
   54   1HG1  ILE  10          2HG1      ILE  10 -12.173   6.328   3.265
   55   2HG1  ILE  10          1HG1      ILE  10 -12.873   7.043   4.713
   56   1HG2  ILE  10          1HG2      ILE  10 -10.194   7.525   6.336
   57   2HG2  ILE  10          3HG2      ILE  10 -11.821   7.008   6.779
   58   3HG2  ILE  10          2HG2      ILE  10 -10.440   5.966   7.125
   59   1HD1  ILE  10          2HD1      ILE  10 -10.718   8.546   4.684
   60   2HD1  ILE  10          1HD1      ILE  10 -10.640   8.076   2.987
   61   3HD1  ILE  10          3HD1      ILE  10 -12.056   8.928   3.602
   62    H    LYS  11           H        LYS  11  -9.355   3.339   4.499
   63    HA   LYS  11           HA       LYS  11  -7.221   3.452   6.595
   64   1HB   LYS  11          2HB       LYS  11  -9.624   2.396   7.070
   65   2HB   LYS  11          1HB       LYS  11  -8.933   1.017   6.215
   66   1HG   LYS  11          2HG       LYS  11  -6.939   1.194   7.786
   67   2HG   LYS  11          1HG       LYS  11  -7.892   2.341   8.730
   68   1HD   LYS  11          2HD       LYS  11  -9.044  -0.342   7.992
   69   2HD   LYS  11          1HD       LYS  11  -7.973  -0.187   9.384
   70   1HE   LYS  11          2HE       LYS  11  -9.439   1.455  10.404
   71   2HE   LYS  11          1HE       LYS  11 -10.453   1.505   8.962
   72   1HZ   LYS  11          1HZ       LYS  11 -10.033  -0.868  10.700
   73   2HZ   LYS  11          3HZ       LYS  11 -11.421   0.106  10.677
   74   3HZ   LYS  11          2HZ       LYS  11 -11.011  -0.818   9.311
   75    H    THR  12           H        THR  12  -5.290   2.796   5.724
   76    HA   THR  12           HA       THR  12  -5.309   1.298   3.183
   77    HB   THR  12           HB       THR  12  -2.663   1.578   3.826
   78    HG1  THR  12           HG1      THR  12  -3.034   2.797   5.642
   79   1HG2  THR  12          2HG2      THR  12  -4.545   3.462   2.405
   80   2HG2  THR  12          1HG2      THR  12  -2.787   3.570   2.307
   81   3HG2  THR  12          3HG2      THR  12  -3.618   2.139   1.697
   82    OH   TYR  13           OH       TYR  13  -3.015  -8.368   4.427
   83    H    TYR  13           H        TYR  13  -3.204  -0.255   3.134
   84    HA   TYR  13           HA       TYR  13  -3.898  -2.425   5.008
   85   1HB   TYR  13          2HB       TYR  13  -3.635  -2.616   2.425
   86   2HB   TYR  13          1HB       TYR  13  -1.907  -2.599   2.756
   87    HD1  TYR  13           HD2      TYR  13  -4.384  -4.058   5.067
   88    HD2  TYR  13           HD1      TYR  13  -1.481  -4.814   2.000
   89    HE1  TYR  13           HE2      TYR  13  -4.435  -6.485   5.626
   90    HE2  TYR  13           HE1      TYR  13  -1.530  -7.244   2.549
   91    HH   TYR  13           HH       TYR  13  -3.787  -8.752   4.007
   92    H    SER  14           H        SER  14  -2.653  -2.870   6.745
   93    HA   SER  14           HA       SER  14   0.062  -1.646   6.908
   94   1HB   SER  14          2HB       SER  14  -1.893  -1.419   8.714
   95   2HB   SER  14          1HB       SER  14  -1.229  -2.956   9.264
   96    HG   SER  14           HG       SER  14  -0.151  -1.257  10.275
   97    H    LYS  15           H        LYS  15  -1.661  -4.738   7.101
   98    HA   LYS  15           HA       LYS  15   0.681  -6.253   7.885
   99   1HB   LYS  15          2HB       LYS  15  -1.442  -7.620   6.333
  100   2HB   LYS  15          1HB       LYS  15  -0.644  -8.118   7.803
  101   1HG   LYS  15          2HG       LYS  15  -1.958  -6.063   8.844
  102   2HG   LYS  15          1HG       LYS  15  -3.030  -6.347   7.472
  103   1HD   LYS  15          2HD       LYS  15  -2.583  -8.904   8.436
  104   2HD   LYS  15          1HD       LYS  15  -2.658  -7.939   9.909
  105   1HE   LYS  15          2HE       LYS  15  -4.724  -7.370   7.844
  106   2HE   LYS  15          1HE       LYS  15  -4.866  -8.904   8.700
  107   1HZ   LYS  15          3HZ       LYS  15  -4.746  -7.686  10.798
  108   2HZ   LYS  15          2HZ       LYS  15  -4.660  -6.216   9.950
  109   3HZ   LYS  15          1HZ       LYS  15  -6.061  -7.172   9.859
  110    HA   PRO  16           HA       PRO  16   2.516  -6.332   3.880
  111   1HB   PRO  16          2HB       PRO  16   4.496  -8.108   4.498
  112   2HB   PRO  16          1HB       PRO  16   4.503  -6.429   5.018
  113   1HG   PRO  16          2HG       PRO  16   4.011  -8.872   6.628
  114   2HG   PRO  16          1HG       PRO  16   4.536  -7.268   7.163
  115   1HD   PRO  16          2HD       PRO  16   1.885  -8.362   7.321
  116   2HD   PRO  16          1HD       PRO  16   2.385  -6.713   7.738
  117    H    PHE  17           H        PHE  17   2.950  -7.827   2.100
  118    HA   PHE  17           HA       PHE  17   2.190 -10.630   2.314
  119   1HB   PHE  17          2HB       PHE  17   0.212 -10.620   0.964
  120   2HB   PHE  17          1HB       PHE  17  -0.037  -9.419   2.222
  121    HD1  PHE  17           HD2      PHE  17   0.608  -6.940   1.606
  122    HD2  PHE  17           HD1      PHE  17  -0.107 -10.048  -1.276
  123    HE1  PHE  17           HE2      PHE  17   0.179  -5.231  -0.139
  124    HE2  PHE  17           HE1      PHE  17  -0.539  -8.336  -3.015
  125    HZ   PHE  17           HZ       PHE  17  -0.395  -5.927  -2.445
  126    H    HIS  18           H        HIS  18   2.535 -11.795   0.260
  127    HA   HIS  18           HA       HIS  18   4.845 -10.829  -1.147
  128   1HB   HIS  18          2HB       HIS  18   4.642 -13.161  -0.855
  129   2HB   HIS  18          1HB       HIS  18   3.009 -13.177  -1.510
  130    HD1  HIS  18           HD1      HIS  18   6.615 -13.089  -2.553
  131    HD2  HIS  18           HD2      HIS  18   2.851 -12.963  -4.274
  132    HE1  HIS  18           HE1      HIS  18   6.947 -13.395  -5.055
  133    HA   PRO  19           HA       PRO  19   2.956  -8.280  -4.164
  134   1HB   PRO  19          2HB       PRO  19   5.126  -7.992  -5.803
  135   2HB   PRO  19          1HB       PRO  19   4.939  -7.175  -4.245
  136   1HG   PRO  19          2HG       PRO  19   6.655  -9.509  -4.952
  137   2HG   PRO  19          1HG       PRO  19   6.898  -8.275  -3.705
  138   1HD   PRO  19          2HD       PRO  19   5.950 -10.892  -3.262
  139   2HD   PRO  19          1HD       PRO  19   5.846  -9.547  -2.110
  140    H    LYS  20           H        LYS  20   4.773 -11.052  -5.607
  141    HA   LYS  20           HA       LYS  20   3.854 -10.792  -8.222
  142   1HB   LYS  20          2HB       LYS  20   5.444 -12.578  -7.248
  143   2HB   LYS  20          1HB       LYS  20   3.975 -13.522  -7.073
  144   1HG   LYS  20          2HG       LYS  20   3.477 -13.096  -9.500
  145   2HG   LYS  20          1HG       LYS  20   5.064 -12.338  -9.632
  146   1HD   LYS  20          2HD       LYS  20   6.202 -14.357  -9.253
  147   2HD   LYS  20          1HD       LYS  20   4.799 -15.117  -8.503
  148   1HE   LYS  20          2HE       LYS  20   3.943 -15.781 -10.499
  149   2HE   LYS  20          1HE       LYS  20   4.334 -14.249 -11.277
  150   1HZ   LYS  20          3HZ       LYS  20   6.284 -16.410 -10.680
  151   2HZ   LYS  20          2HZ       LYS  20   5.600 -16.101 -12.204
  152   3HZ   LYS  20          1HZ       LYS  20   6.621 -14.952 -11.481
  153    H    PHE  21           H        PHE  21   1.950 -11.845  -5.464
  154    HA   PHE  21           HA       PHE  21  -0.208 -13.089  -6.853
  155   1HB   PHE  21          2HB       PHE  21  -0.413 -11.383  -4.399
  156   2HB   PHE  21          1HB       PHE  21  -1.551 -12.602  -4.909
  157    HD1  PHE  21           HD1      PHE  21   0.760 -14.585  -5.803
  158    HD2  PHE  21           HD2      PHE  21  -0.087 -12.384  -2.211
  159    HE1  PHE  21           HE1      PHE  21   1.993 -16.275  -4.468
  160    HE2  PHE  21           HE2      PHE  21   1.145 -14.071  -0.882
  161    HZ   PHE  21           HZ       PHE  21   2.183 -16.020  -2.012
  162    H    ILE  22           H        ILE  22   0.544  -9.737  -6.089
  163    HA   ILE  22           HA       ILE  22  -1.855  -8.479  -6.931
  164    HB   ILE  22           HB       ILE  22   1.004  -7.463  -7.094
  165   1HG1  ILE  22          2HG1      ILE  22  -0.975  -6.728  -4.955
  166   2HG1  ILE  22          1HG1      ILE  22  -0.107  -8.258  -4.831
  167   1HG2  ILE  22          3HG2      ILE  22  -1.674  -6.171  -7.462
  168   2HG2  ILE  22          2HG2      ILE  22  -0.359  -5.236  -6.753
  169   3HG2  ILE  22          1HG2      ILE  22  -0.183  -5.922  -8.366
  170   1HD1  ILE  22          2HD1      ILE  22   1.967  -6.648  -5.434
  171   2HD1  ILE  22          1HD1      ILE  22   0.926  -5.475  -4.627
  172   3HD1  ILE  22          3HD1      ILE  22   1.440  -6.930  -3.775
  173    H    LYS  23           H        LYS  23  -2.777  -8.582  -8.900
  174    HA   LYS  23           HA       LYS  23  -1.157  -9.213 -11.286
  175   1HB   LYS  23          2HB       LYS  23  -3.645  -9.991 -10.623
  176   2HB   LYS  23          1HB       LYS  23  -4.054  -8.521 -11.507
  177   1HG   LYS  23          2HG       LYS  23  -4.038 -10.232 -13.155
  178   2HG   LYS  23          1HG       LYS  23  -2.499  -9.396 -13.358
  179   1HD   LYS  23          2HD       LYS  23  -1.296 -11.117 -12.234
  180   2HD   LYS  23          1HD       LYS  23  -2.775 -11.839 -11.600
  181   1HE   LYS  23          2HE       LYS  23  -3.413 -12.129 -14.121
  182   2HE   LYS  23          1HE       LYS  23  -1.685 -11.924 -14.403
  183   1HZ   LYS  23          3HZ       LYS  23  -1.276 -13.736 -12.826
  184   2HZ   LYS  23          2HZ       LYS  23  -2.951 -13.955 -12.643
  185   3HZ   LYS  23          1HZ       LYS  23  -2.212 -14.246 -14.144
  186    H    GLU  24           H        GLU  24  -2.665  -6.454  -9.740
  187    HA   GLU  24           HA       GLU  24  -1.556  -4.710 -11.875
  188   1HB   GLU  24          2HB       GLU  24  -4.222  -5.260 -11.839
  189   2HB   GLU  24          1HB       GLU  24  -4.172  -3.861 -10.767
  190   1HG   GLU  24          2HG       GLU  24  -2.521  -3.025 -12.766
  191   2HG   GLU  24          1HG       GLU  24  -3.648  -4.035 -13.671
  192    HA   LEU  25           HA       LEU  25  -0.831  -2.710  -7.898
  193   1HB   LEU  25          2HB       LEU  25   1.156  -4.088  -7.750
  194   2HB   LEU  25          1HB       LEU  25   1.930  -3.193  -9.058
  195    HG   LEU  25           HG       LEU  25   1.012  -1.473  -6.853
  196   1HD1  LEU  25          3HD1      LEU  25   1.891  -3.782  -5.866
  197   2HD1  LEU  25          2HD1      LEU  25   3.459  -3.053  -6.206
  198   3HD1  LEU  25          1HD1      LEU  25   2.325  -2.243  -5.127
  199   1HD2  LEU  25          3HD2      LEU  25   3.113  -1.636  -8.850
  200   2HD2  LEU  25          2HD2      LEU  25   2.542  -0.231  -7.952
  201   3HD2  LEU  25          1HD2      LEU  25   3.792  -1.266  -7.265
  202    NH1  ARG  26           NH2      ARG  26  -7.520   2.161  -9.558
  203    NH2  ARG  26           NH1      ARG  26  -7.549   1.147 -11.587
  204    H    ARG  26           H        ARG  26  -1.762  -0.702  -8.358
  205    HA   ARG  26           HA       ARG  26   0.039   1.171  -9.813
  206   1HB   ARG  26          2HB       ARG  26  -2.113   2.405 -10.464
  207   2HB   ARG  26          1HB       ARG  26  -1.842   0.853 -11.255
  208   1HG   ARG  26          2HG       ARG  26  -3.440  -0.248  -9.894
  209   2HG   ARG  26          1HG       ARG  26  -3.461   1.061  -8.713
  210   1HD   ARG  26          2HD       ARG  26  -4.605   2.526 -10.230
  211   2HD   ARG  26          1HD       ARG  26  -4.368   1.415 -11.578
  212    HE   ARG  26           HE       ARG  26  -5.800  -0.085  -9.742
  213   1HH1  ARG  26          1HH2      ARG  26  -7.070   2.328  -8.679
  214   2HH1  ARG  26          2HH2      ARG  26  -8.395   2.599  -9.761
  215   1HH2  ARG  26          2HH1      ARG  26  -7.122   0.541 -12.258
  216   2HH2  ARG  26          1HH1      ARG  26  -8.426   1.583 -11.794
  217    H    VAL  27           H        VAL  27   0.718   2.845  -8.553
  218    HA   VAL  27           HA       VAL  27  -0.712   3.377  -6.005
  219    HB   VAL  27           HB       VAL  27   1.390   4.647  -5.448
  220   1HG1  VAL  27          2HG1      VAL  27   0.995   2.243  -4.845
  221   2HG1  VAL  27          1HG1      VAL  27   1.871   1.785  -6.303
  222   3HG1  VAL  27          3HG1      VAL  27   2.699   2.659  -5.015
  223   1HG2  VAL  27          3HG2      VAL  27   1.945   4.925  -7.974
  224   2HG2  VAL  27          2HG2      VAL  27   3.276   4.605  -6.863
  225   3HG2  VAL  27          1HG2      VAL  27   2.616   3.299  -7.847
  226    H    ILE  28           H        ILE  28  -1.482   5.455  -5.483
  227    HA   ILE  28           HA       ILE  28  -1.663   7.342  -7.796
  228    HB   ILE  28           HB       ILE  28  -3.349   7.166  -5.272
  229   1HG1  ILE  28          2HG1      ILE  28  -3.960   6.452  -8.164
  230   2HG1  ILE  28          1HG1      ILE  28  -3.722   5.299  -6.852
  231   1HG2  ILE  28          1HG2      ILE  28  -3.636   8.906  -7.747
  232   2HG2  ILE  28          3HG2      ILE  28  -4.783   8.833  -6.409
  233   3HG2  ILE  28          2HG2      ILE  28  -3.162   9.472  -6.146
  234   1HD1  ILE  28          1HD1      ILE  28  -5.649   6.358  -5.644
  235   2HD1  ILE  28          3HD1      ILE  28  -5.932   7.363  -7.066
  236   3HD1  ILE  28          2HD1      ILE  28  -6.109   5.611  -7.174
  237    H    GLU  29           H        GLU  29  -0.616   9.280  -7.661
  238    HA   GLU  29           HA       GLU  29   1.203   9.836  -5.512
  239   1HB   GLU  29          2HB       GLU  29   0.152  11.695  -7.666
  240   2HB   GLU  29          1HB       GLU  29   1.570  11.976  -6.667
  241   1HG   GLU  29          2HG       GLU  29   2.782  10.900  -8.234
  242   2HG   GLU  29          1HG       GLU  29   1.970   9.417  -7.730
  243    H    SER  30           H        SER  30   1.144  11.954  -4.272
  244    HA   SER  30           HA       SER  30  -1.600  12.367  -3.190
  245   1HB   SER  30          2HB       SER  30  -0.077  13.639  -1.401
  246   2HB   SER  30          1HB       SER  30  -0.331  11.902  -1.327
  247    HG   SER  30           HG       SER  30   1.822  12.076  -1.288
  248    H    GLY  31           H        GLY  31  -2.213  14.591  -2.618
  249   1HA   GLY  31          2HA       GLY  31  -0.754  16.851  -3.714
  250   2HA   GLY  31          1HA       GLY  31  -2.152  16.428  -4.694
  251    HA   PRO  32           HA       PRO  32  -3.884  19.182  -1.485
  252   1HB   PRO  32          2HB       PRO  32  -5.744  20.293  -3.191
  253   2HB   PRO  32          1HB       PRO  32  -4.094  20.914  -3.000
  254   1HG   PRO  32          2HG       PRO  32  -5.252  19.302  -5.237
  255   2HG   PRO  32          1HG       PRO  32  -3.932  20.484  -5.271
  256   1HD   PRO  32          2HD       PRO  32  -3.601  17.694  -5.293
  257   2HD   PRO  32          1HD       PRO  32  -2.337  18.873  -4.884
  258    H    HIS  33           H        HIS  33  -5.435  17.156  -3.916
  259    HA   HIS  33           HA       HIS  33  -7.994  16.791  -2.755
  260   1HB   HIS  33          2HB       HIS  33  -8.064  14.691  -4.082
  261   2HB   HIS  33          1HB       HIS  33  -7.436  16.028  -5.039
  262    HD1  HIS  33           HD1      HIS  33  -4.760  16.090  -5.342
  263    HD2  HIS  33           HD2      HIS  33  -6.297  12.553  -3.766
  264    HE1  HIS  33           HE1      HIS  33  -2.872  14.411  -5.408
  265    H    CYS  34           H        CYS  34  -4.910  15.156  -2.135
  266    HA   CYS  34           HA       CYS  34  -5.820  14.320   0.485
  267   1HB   CYS  34          2HB       CYS  34  -6.298  12.489  -1.489
  268   2HB   CYS  34          1HB       CYS  34  -4.670  12.029  -0.992
  269    H    ALA  35           H        ALA  35  -4.127  15.086   1.647
  270    HA   ALA  35           HA       ALA  35  -1.529  15.611   0.630
  271   1HB   ALA  35          1HB       ALA  35  -2.596  15.281   3.431
  272   2HB   ALA  35          3HB       ALA  35  -0.897  15.647   3.126
  273   3HB   ALA  35          2HB       ALA  35  -2.150  16.770   2.596
  274    H    ASN  36           H        ASN  36  -2.753  12.754   2.359
  275    HA   ASN  36           HA       ASN  36  -0.103  11.503   2.403
  276   1HB   ASN  36          2HB       ASN  36  -2.845  10.779   3.345
  277   2HB   ASN  36          1HB       ASN  36  -1.700   9.469   3.064
  278   1HD2  ASN  36          2HD2      ASN  36   0.472  10.448   5.749
  279   2HD2  ASN  36          1HD2      ASN  36   0.429   9.621   4.266
  280    H    THR  37           H        THR  37   0.666   9.972   0.981
  281    HA   THR  37           HA       THR  37  -0.628   9.707  -1.612
  282    HB   THR  37           HB       THR  37   1.578   7.857  -0.773
  283    HG1  THR  37           HG1      THR  37   2.722   9.474  -0.118
  284   1HG2  THR  37          2HG2      THR  37   0.789   9.417  -3.229
  285   2HG2  THR  37          1HG2      THR  37   2.402   8.723  -3.068
  286   3HG2  THR  37          3HG2      THR  37   0.985   7.673  -3.047
  287    H    GLU  38           H        GLU  38  -1.167   7.491  -2.557
  288    HA   GLU  38           HA       GLU  38  -1.973   5.515  -0.481
  289   1HB   GLU  38          2HB       GLU  38  -3.867   7.144  -1.003
  290   2HB   GLU  38          1HB       GLU  38  -3.892   6.448  -2.623
  291   1HG   GLU  38          2HG       GLU  38  -4.073   4.160  -1.416
  292   2HG   GLU  38          1HG       GLU  38  -4.515   5.107   0.005
  293    H    ILE  39           H        ILE  39  -1.355   3.518  -1.130
  294    HA   ILE  39           HA       ILE  39  -0.663   3.074  -3.982
  295    HB   ILE  39           HB       ILE  39  -0.267   1.464  -1.441
  296   1HG1  ILE  39          2HG1      ILE  39   2.053   2.019  -3.110
  297   2HG1  ILE  39          1HG1      ILE  39   1.210   3.505  -2.678
  298   1HG2  ILE  39          1HG2      ILE  39   0.312   0.694  -4.315
  299   2HG2  ILE  39          3HG2      ILE  39   1.068  -0.097  -2.931
  300   3HG2  ILE  39          2HG2      ILE  39  -0.680  -0.181  -3.151
  301   1HD1  ILE  39          1HD1      ILE  39   1.356   1.770  -0.378
  302   2HD1  ILE  39          3HD1      ILE  39   2.966   1.996  -1.057
  303   3HD1  ILE  39          2HD1      ILE  39   2.008   3.395  -0.578
  304    H    ILE  40           H        ILE  40  -1.606   1.133  -5.112
  305    HA   ILE  40           HA       ILE  40  -4.077   0.034  -3.917
  306    HB   ILE  40           HB       ILE  40  -4.142   1.481  -6.584
  307   1HG1  ILE  40          2HG1      ILE  40  -5.532   2.200  -3.985
  308   2HG1  ILE  40          1HG1      ILE  40  -4.041   2.959  -4.536
  309   1HG2  ILE  40          3HG2      ILE  40  -5.635  -0.668  -5.830
  310   2HG2  ILE  40          2HG2      ILE  40  -6.613   0.641  -5.167
  311   3HG2  ILE  40          1HG2      ILE  40  -6.237   0.607  -6.889
  312   1HD1  ILE  40          1HD1      ILE  40  -5.199   3.638  -6.636
  313   2HD1  ILE  40          3HD1      ILE  40  -6.698   2.959  -5.999
  314   3HD1  ILE  40          2HD1      ILE  40  -5.944   4.339  -5.199
  315    H    VAL  41           H        VAL  41  -3.297  -2.051  -4.058
  316    HA   VAL  41           HA       VAL  41  -2.344  -3.023  -6.688
  317    HB   VAL  41           HB       VAL  41  -1.644  -5.027  -5.443
  318   1HG1  VAL  41          2HG1      VAL  41  -0.784  -2.365  -4.313
  319   2HG1  VAL  41          1HG1      VAL  41   0.035  -3.879  -3.930
  320   3HG1  VAL  41          3HG1      VAL  41  -0.006  -3.295  -5.593
  321   1HG2  VAL  41          1HG2      VAL  41  -3.424  -3.923  -3.442
  322   2HG2  VAL  41          3HG2      VAL  41  -2.725  -5.538  -3.535
  323   3HG2  VAL  41          2HG2      VAL  41  -1.830  -4.234  -2.758
  324    H    LYS  42           H        LYS  42  -3.196  -5.231  -7.325
  325    HA   LYS  42           HA       LYS  42  -6.019  -5.647  -6.468
  326   1HB   LYS  42          2HB       LYS  42  -4.991  -4.937  -9.128
  327   2HB   LYS  42          1HB       LYS  42  -5.987  -6.390  -9.143
  328   1HG   LYS  42          2HG       LYS  42  -6.971  -4.033  -7.584
  329   2HG   LYS  42          1HG       LYS  42  -7.081  -3.967  -9.342
  330   1HD   LYS  42          2HD       LYS  42  -8.011  -6.449  -7.942
  331   2HD   LYS  42          1HD       LYS  42  -9.048  -5.021  -7.912
  332   1HE   LYS  42          2HE       LYS  42  -8.742  -4.915 -10.448
  333   2HE   LYS  42          1HE       LYS  42  -8.033  -6.526 -10.333
  334   1HZ   LYS  42          3HZ       LYS  42 -10.081  -7.268  -9.225
  335   2HZ   LYS  42          2HZ       LYS  42 -10.760  -5.728  -9.464
  336   3HZ   LYS  42          1HZ       LYS  42 -10.368  -6.702 -10.799
  337    H    LEU  43           H        LEU  43  -5.497  -7.504  -5.266
  338    HA   LEU  43           HA       LEU  43  -3.679  -9.534  -5.866
  339   1HB   LEU  43          2HB       LEU  43  -6.333  -9.599  -4.447
  340   2HB   LEU  43          1HB       LEU  43  -5.323 -11.023  -4.575
  341    HG   LEU  43           HG       LEU  43  -4.387  -8.376  -3.433
  342   1HD1  LEU  43          3HD1      LEU  43  -5.238 -10.928  -2.028
  343   2HD1  LEU  43          2HD1      LEU  43  -4.499  -9.533  -1.241
  344   3HD1  LEU  43          1HD1      LEU  43  -6.092  -9.385  -1.984
  345   1HD2  LEU  43          3HD2      LEU  43  -3.151 -11.113  -3.758
  346   2HD2  LEU  43          2HD2      LEU  43  -2.479  -9.543  -4.199
  347   3HD2  LEU  43          1HD2      LEU  43  -2.588 -10.010  -2.502
  348    H    SER  44           H        SER  44  -3.752 -11.443  -7.006
  349    HA   SER  44           HA       SER  44  -5.138 -11.579  -9.452
  350   1HB   SER  44          2HB       SER  44  -3.042 -12.890  -8.586
  351   2HB   SER  44          1HB       SER  44  -4.230 -14.077  -8.057
  352    HG   SER  44           HG       SER  44  -3.393 -13.389 -10.589
  353    H    ASP  45           H        ASP  45  -6.134 -12.654  -6.261
  354    HA   ASP  45           HA       ASP  45  -8.199 -14.447  -7.121
  355   1HB   ASP  45          2HB       ASP  45  -7.071 -14.093  -4.760
  356   2HB   ASP  45          1HB       ASP  45  -8.389 -12.944  -4.538
  357    H    GLY  46           H        GLY  46  -7.973 -11.117  -7.514
  358   1HA   GLY  46          2HA       GLY  46  -9.663  -9.778  -8.560
  359   2HA   GLY  46          1HA       GLY  46 -10.888 -10.898  -7.958
  360    NH1  ARG  47           NH1      ARG  47 -13.087  -8.819  -0.256
  361    NH2  ARG  47           NH2      ARG  47 -12.090 -10.312   1.129
  362    H    ARG  47           H        ARG  47  -8.280  -9.558  -5.975
  363    HA   ARG  47           HA       ARG  47 -10.379  -8.181  -4.341
  364   1HB   ARG  47          2HB       ARG  47  -8.890 -10.115  -3.418
  365   2HB   ARG  47          1HB       ARG  47  -7.620  -8.896  -3.373
  366   1HG   ARG  47          2HG       ARG  47  -8.450  -8.374  -1.326
  367   2HG   ARG  47          1HG       ARG  47  -9.743  -7.569  -2.212
  368   1HD   ARG  47          2HD       ARG  47 -11.066  -9.657  -2.176
  369   2HD   ARG  47          1HD       ARG  47  -9.775 -10.451  -1.273
  370    HE   ARG  47           HE       ARG  47 -10.315  -8.323   0.337
  371   1HH1  ARG  47          2HH1      ARG  47 -13.018  -8.097  -0.944
  372   2HH1  ARG  47          1HH1      ARG  47 -13.986  -9.122   0.062
  373   1HH2  ARG  47          1HH2      ARG  47 -11.260 -10.730   1.500
  374   2HH2  ARG  47          2HH2      ARG  47 -12.988 -10.616   1.449
  375    H    GLU  48           H        GLU  48  -9.750  -6.112  -3.369
  376    HA   GLU  48           HA       GLU  48  -7.522  -4.709  -4.792
  377   1HB   GLU  48          2HB       GLU  48  -9.991  -4.132  -5.504
  378   2HB   GLU  48          1HB       GLU  48 -10.036  -3.261  -3.972
  379   1HG   GLU  48          2HG       GLU  48  -7.718  -2.837  -5.840
  380   2HG   GLU  48          1HG       GLU  48  -9.246  -2.016  -6.156
  381    H    LEU  49           H        LEU  49  -6.047  -4.129  -3.279
  382    HA   LEU  49           HA       LEU  49  -7.066  -3.275  -0.589
  383   1HB   LEU  49          2HB       LEU  49  -5.255  -5.465  -1.248
  384   2HB   LEU  49          1HB       LEU  49  -4.492  -4.281  -0.188
  385    HG   LEU  49           HG       LEU  49  -6.750  -4.433   1.148
  386   1HD1  LEU  49          2HD1      LEU  49  -7.721  -5.939  -0.695
  387   2HD1  LEU  49          1HD1      LEU  49  -6.668  -7.203  -0.057
  388   3HD1  LEU  49          3HD1      LEU  49  -7.919  -6.498   0.967
  389   1HD2  LEU  49          3HD2      LEU  49  -4.317  -5.292   1.663
  390   2HD2  LEU  49          2HD2      LEU  49  -5.666  -5.883   2.633
  391   3HD2  LEU  49          1HD2      LEU  49  -5.009  -6.880   1.334
  392    H    CYS  50           H        CYS  50  -6.431  -1.199  -0.215
  393    HA   CYS  50           HA       CYS  50  -4.299  -0.001  -1.820
  394   1HB   CYS  50          2HB       CYS  50  -5.551   1.312   0.527
  395   2HB   CYS  50          1HB       CYS  50  -4.923   2.050  -0.922
  396    H    LEU  51           H        LEU  51  -2.246   0.501  -1.015
  397    HA   LEU  51           HA       LEU  51  -1.591  -0.814   1.544
  398   1HB   LEU  51          2HB       LEU  51   0.109  -0.093  -0.824
  399   2HB   LEU  51          1HB       LEU  51   0.767  -0.676   0.683
  400    HG   LEU  51           HG       LEU  51  -0.887  -2.653   0.419
  401   1HD1  LEU  51          3HD1      LEU  51  -1.539  -1.149  -1.891
  402   2HD1  LEU  51          2HD1      LEU  51  -0.734  -2.616  -2.438
  403   3HD1  LEU  51          1HD1      LEU  51  -2.161  -2.726  -1.414
  404   1HD2  LEU  51          3HD2      LEU  51   1.549  -2.215  -1.321
  405   2HD2  LEU  51          2HD2      LEU  51   1.463  -3.052   0.229
  406   3HD2  LEU  51          1HD2      LEU  51   0.737  -3.776  -1.205
  407    H    ASP  52           H        ASP  52   0.008   0.139   2.874
  408    HA   ASP  52           HA       ASP  52  -0.179   3.113   2.964
  409   1HB   ASP  52          2HB       ASP  52  -1.191   1.765   4.851
  410   2HB   ASP  52          1HB       ASP  52   0.426   1.180   5.224
  411    HA   PRO  53           HA       PRO  53   4.167   2.713   1.926
  412   1HB   PRO  53          2HB       PRO  53   4.586   5.426   1.675
  413   2HB   PRO  53          1HB       PRO  53   3.903   4.399   0.402
  414   1HG   PRO  53          2HG       PRO  53   2.504   6.312   2.230
  415   2HG   PRO  53          1HG       PRO  53   2.097   5.842   0.570
  416   1HD   PRO  53          2HD       PRO  53   0.810   4.869   2.851
  417   2HD   PRO  53          1HD       PRO  53   0.802   4.069   1.264
  418    H    LYS  54           H        LYS  54   2.759   3.962   4.757
  419    HA   LYS  54           HA       LYS  54   4.992   5.201   6.001
  420   1HB   LYS  54          2HB       LYS  54   2.340   4.579   6.707
  421   2HB   LYS  54          1HB       LYS  54   3.351   3.774   7.906
  422   1HG   LYS  54          2HG       LYS  54   4.561   5.920   8.279
  423   2HG   LYS  54          1HG       LYS  54   3.467   6.709   7.141
  424   1HD   LYS  54          2HD       LYS  54   1.543   6.079   8.563
  425   2HD   LYS  54          1HD       LYS  54   2.647   5.320   9.711
  426   1HE   LYS  54          2HE       LYS  54   3.824   7.592   9.852
  427   2HE   LYS  54          1HE       LYS  54   2.424   8.252   9.008
  428   1HZ   LYS  54          3HZ       LYS  54   2.321   6.725  11.555
  429   2HZ   LYS  54          2HZ       LYS  54   2.210   8.415  11.422
  430   3HZ   LYS  54          1HZ       LYS  54   0.999   7.427  10.755
  431    H    GLU  55           H        GLU  55   4.125   1.806   5.515
  432    HA   GLU  55           HA       GLU  55   6.111   0.834   7.436
  433   1HB   GLU  55          2HB       GLU  55   4.385  -0.503   5.345
  434   2HB   GLU  55          1HB       GLU  55   5.577  -1.382   6.278
  435   1HG   GLU  55          2HG       GLU  55   3.645  -1.680   7.550
  436   2HG   GLU  55          1HG       GLU  55   4.404  -0.305   8.343
  437    H    ASN  56           H        ASN  56   7.788  -0.739   6.551
  438    HA   ASN  56           HA       ASN  56   9.188   0.551   4.280
  439   1HB   ASN  56          2HB       ASN  56  10.017  -0.717   6.694
  440   2HB   ASN  56          1HB       ASN  56  10.721  -1.569   5.326
  441   1HD2  ASN  56          2HD2      ASN  56  12.821   1.144   4.365
  442   2HD2  ASN  56          1HD2      ASN  56  12.161  -0.344   3.881
  443    CH2  TRP  57           CH2      TRP  57   1.638  -4.429   2.393
  444    H    TRP  57           H        TRP  57   7.292  -2.236   4.982
  445    HA   TRP  57           HA       TRP  57   8.444  -3.858   2.875
  446   1HB   TRP  57          2HB       TRP  57   6.864  -5.514   3.492
  447   2HB   TRP  57          1HB       TRP  57   7.369  -4.769   4.981
  448    HD1  TRP  57           HD1      TRP  57   5.596  -3.661   6.402
  449    HE1  TRP  57           HE1      TRP  57   3.050  -3.424   6.235
  450    HE3  TRP  57           HE3      TRP  57   4.878  -5.112   1.580
  451    HZ2  TRP  57           HZ2      TRP  57   0.971  -3.736   4.317
  452    HZ3  TRP  57           HZ3      TRP  57   2.608  -5.111   0.600
  453    HH2  TRP  57           HH2      TRP  57   0.649  -4.433   1.959
  454    H    VAL  58           H        VAL  58   5.620  -1.782   3.305
  455    HA   VAL  58           HA       VAL  58   4.354  -2.430   0.802
  456    HB   VAL  58           HB       VAL  58   4.226  -0.154   2.745
  457   1HG1  VAL  58          2HG1      VAL  58   3.183  -0.102  -0.084
  458   2HG1  VAL  58          1HG1      VAL  58   2.415   0.833   1.198
  459   3HG1  VAL  58          3HG1      VAL  58   4.096   1.141   0.769
  460   1HG2  VAL  58          2HG2      VAL  58   2.430  -2.295   1.694
  461   2HG2  VAL  58          1HG2      VAL  58   2.759  -1.828   3.362
  462   3HG2  VAL  58          3HG2      VAL  58   1.706  -0.833   2.359
  463    H    GLN  59           H        GLN  59   6.755   0.044   1.720
  464    HA   GLN  59           HA       GLN  59   6.922   1.108  -0.969
  465   1HB   GLN  59          2HB       GLN  59   8.672   2.506  -0.117
  466   2HB   GLN  59          1HB       GLN  59   7.418   2.418   1.113
  467   1HG   GLN  59          2HG       GLN  59   8.680   0.579   2.200
  468   2HG   GLN  59          1HG       GLN  59   9.967   0.806   1.025
  469   1HE2  GLN  59          2HE2      GLN  59  11.328   3.619   2.684
  470   2HE2  GLN  59          1HE2      GLN  59  11.453   2.535   1.383
  471    NH1  ARG  60           NH1      ARG  60  14.711  -4.220   2.573
  472    NH2  ARG  60           NH2      ARG  60  15.667  -4.629   0.558
  473    H    ARG  60           H        ARG  60   8.511  -1.474   0.778
  474    HA   ARG  60           HA       ARG  60  10.704  -1.708  -1.165
  475   1HB   ARG  60          2HB       ARG  60   9.835  -3.181   1.294
  476   2HB   ARG  60          1HB       ARG  60  10.827  -4.047   0.126
  477   1HG   ARG  60          2HG       ARG  60  11.680  -1.291   0.921
  478   2HG   ARG  60          1HG       ARG  60  11.940  -2.604   2.069
  479   1HD   ARG  60          2HD       ARG  60  12.792  -2.846  -0.819
  480   2HD   ARG  60          1HD       ARG  60  13.841  -2.114   0.394
  481    HE   ARG  60           HE       ARG  60  12.859  -4.939   0.551
  482   1HH1  ARG  60          2HH1      ARG  60  13.902  -4.000   3.120
  483   2HH1  ARG  60          1HH1      ARG  60  15.595  -4.349   3.021
  484   1HH2  ARG  60          1HH2      ARG  60  15.590  -4.721  -0.435
  485   2HH2  ARG  60          2HH2      ARG  60  16.554  -4.758   1.003
  486    H    VAL  61           H        VAL  61   7.616  -3.289  -0.421
  487    HA   VAL  61           HA       VAL  61   7.788  -5.382  -2.368
  488    HB   VAL  61           HB       VAL  61   5.515  -3.995  -0.945
  489   1HG1  VAL  61          2HG1      VAL  61   5.381  -5.809  -3.303
  490   2HG1  VAL  61          1HG1      VAL  61   4.237  -6.099  -1.993
  491   3HG1  VAL  61          3HG1      VAL  61   4.274  -4.532  -2.801
  492   1HG2  VAL  61          3HG2      VAL  61   6.911  -5.619   0.291
  493   2HG2  VAL  61          2HG2      VAL  61   5.266  -6.220   0.086
  494   3HG2  VAL  61          1HG2      VAL  61   6.566  -6.842  -0.930
  495    H    VAL  62           H        VAL  62   6.491  -2.066  -2.521
  496    HA   VAL  62           HA       VAL  62   5.576  -2.265  -5.252
  497    HB   VAL  62           HB       VAL  62   6.315   0.128  -3.534
  498   1HG1  VAL  62          2HG1      VAL  62   5.250  -0.067  -6.348
  499   2HG1  VAL  62          1HG1      VAL  62   4.846   1.315  -5.329
  500   3HG1  VAL  62          3HG1      VAL  62   6.530   0.971  -5.722
  501   1HG2  VAL  62          3HG2      VAL  62   4.279  -1.436  -3.038
  502   2HG2  VAL  62          2HG2      VAL  62   4.013   0.307  -3.073
  503   3HG2  VAL  62          1HG2      VAL  62   3.563  -0.681  -4.462
  504    H    GLU  63           H        GLU  63   8.649  -1.288  -3.747
  505    HA   GLU  63           HA       GLU  63   9.900  -0.360  -6.142
  506   1HB   GLU  63          2HB       GLU  63  10.633  -0.716  -3.397
  507   2HB   GLU  63          1HB       GLU  63  11.867  -1.475  -4.401
  508   1HG   GLU  63          2HG       GLU  63  12.055   0.607  -5.730
  509   2HG   GLU  63          1HG       GLU  63  10.847   1.367  -4.692
  510    H    LYS  64           H        LYS  64   9.929  -3.542  -4.508
  511    HA   LYS  64           HA       LYS  64  11.648  -4.800  -6.417
  512   1HB   LYS  64          2HB       LYS  64  10.703  -5.534  -3.993
  513   2HB   LYS  64          1HB       LYS  64   9.616  -6.462  -5.025
  514   1HG   LYS  64          2HG       LYS  64  12.498  -6.528  -5.757
  515   2HG   LYS  64          1HG       LYS  64  12.050  -7.369  -4.273
  516   1HD   LYS  64          2HD       LYS  64  10.377  -7.803  -6.721
  517   2HD   LYS  64          1HD       LYS  64  11.939  -8.613  -6.612
  518   1HE   LYS  64          2HE       LYS  64  11.283  -9.557  -4.415
  519   2HE   LYS  64          1HE       LYS  64   9.707  -8.781  -4.566
  520   1HZ   LYS  64          3HZ       LYS  64   9.354 -10.041  -6.622
  521   2HZ   LYS  64          2HZ       LYS  64  10.842 -10.829  -6.394
  522   3HZ   LYS  64          1HZ       LYS  64   9.576 -11.060  -5.285
  523    H    PHE  65           H        PHE  65   8.184  -4.209  -6.308
  524    HA   PHE  65           HA       PHE  65   7.473  -6.054  -8.423
  525   1HB   PHE  65          2HB       PHE  65   6.027  -4.877  -6.552
  526   2HB   PHE  65          1HB       PHE  65   5.873  -3.609  -7.757
  527    HD1  PHE  65           HD2      PHE  65   5.632  -7.355  -7.490
  528    HD2  PHE  65           HD1      PHE  65   4.130  -3.755  -9.288
  529    HE1  PHE  65           HE2      PHE  65   3.877  -8.664  -8.655
  530    HE2  PHE  65           HE1      PHE  65   2.375  -5.064 -10.453
  531    HZ   PHE  65           HZ       PHE  65   2.250  -7.521 -10.136
  532    H    LEU  66           H        LEU  66   8.080  -2.526  -8.281
  533    HA   LEU  66           HA       LEU  66   7.760  -2.324 -11.215
  534   1HB   LEU  66          2HB       LEU  66   8.021  -0.393  -8.951
  535   2HB   LEU  66          1HB       LEU  66   8.544   0.144 -10.548
  536    HG   LEU  66           HG       LEU  66   5.914  -1.264 -10.348
  537   1HD1  LEU  66          1HD1      LEU  66   6.478   1.540  -9.366
  538   2HD1  LEU  66          3HD1      LEU  66   4.880   1.043  -9.921
  539   3HD1  LEU  66          2HD1      LEU  66   5.617   0.248  -8.530
  540   1HD2  LEU  66          3HD2      LEU  66   7.009   1.066 -11.958
  541   2HD2  LEU  66          2HD2      LEU  66   6.768  -0.583 -12.531
  542   3HD2  LEU  66          1HD2      LEU  66   5.376   0.419 -12.123
  543    H    LYS  67           H        LYS  67  10.331  -1.284  -8.931
  544    HA   LYS  67           HA       LYS  67  12.655  -1.354  -9.109
  545   1HB   LYS  67          2HB       LYS  67  12.311  -3.735  -9.771
  546   2HB   LYS  67          1HB       LYS  67  12.189  -3.229 -11.453
  547   1HG   LYS  67          2HG       LYS  67  14.451  -3.862 -11.227
  548   2HG   LYS  67          1HG       LYS  67  14.494  -2.105 -11.076
  549   1HD   LYS  67          2HD       LYS  67  14.619  -2.243  -8.670
  550   2HD   LYS  67          1HD       LYS  67  14.328  -3.982  -8.703
  551   1HE   LYS  67          2HE       LYS  67  16.671  -3.810  -8.439
  552   2HE   LYS  67          1HE       LYS  67  16.462  -4.112 -10.164
  553   1HZ   LYS  67          3HZ       LYS  67  16.750  -1.415  -8.952
  554   2HZ   LYS  67          2HZ       LYS  67  18.016  -2.285  -9.679
  555   3HZ   LYS  67          1HZ       LYS  67  16.686  -1.780 -10.607
  556    NH1  ARG  68           NH2      ARG  68  17.966   0.405 -15.908
  557    NH2  ARG  68           NH1      ARG  68  17.188   0.223 -18.030
  558    H    ARG  68           H        ARG  68  11.974  -1.706 -12.613
  559    HA   ARG  68           HA       ARG  68  13.463   0.816 -13.061
  560   1HB   ARG  68          2HB       ARG  68  12.492  -1.388 -14.886
  561   2HB   ARG  68          1HB       ARG  68  13.147   0.122 -15.513
  562   1HG   ARG  68          2HG       ARG  68  15.126  -0.388 -13.845
  563   2HG   ARG  68          1HG       ARG  68  14.536  -2.047 -13.972
  564   1HD   ARG  68          2HD       ARG  68  16.124  -1.899 -15.709
  565   2HD   ARG  68          1HD       ARG  68  14.588  -1.644 -16.536
  566    HE   ARG  68           HE       ARG  68  15.151   0.875 -16.247
  567   1HH1  ARG  68          1HH2      ARG  68  17.798   0.423 -14.923
  568   2HH1  ARG  68          2HH2      ARG  68  18.897   0.515 -16.259
  569   1HH2  ARG  68          2HH1      ARG  68  16.426   0.100 -18.664
  570   2HH2  ARG  68          1HH1      ARG  68  18.118   0.331 -18.381
  571    H    ALA  69           H        ALA  69  12.487   2.160 -14.996
  572    HA   ALA  69           HA       ALA  69   9.578   2.244 -15.169
  573   1HB   ALA  69          3HB       ALA  69  10.207   3.348 -12.916
  574   2HB   ALA  69          2HB       ALA  69  10.871   4.657 -13.893
  575   3HB   ALA  69          1HB       ALA  69   9.156   4.261 -13.998
  576    H    GLU  70           H        GLU  70  12.399   4.464 -15.464
  577    HA   GLU  70           HA       GLU  70  11.648   4.837 -18.336
  578   1HB   GLU  70          2HB       GLU  70  12.227   6.924 -16.239
  579   2HB   GLU  70          1HB       GLU  70  12.537   7.258 -17.943
  580   1HG   GLU  70          2HG       GLU  70  10.213   6.789 -18.507
  581   2HG   GLU  70          1HG       GLU  70   9.876   6.298 -16.847
  582    H    ASN  71           H        ASN  71  14.261   5.720 -16.028
  583    HA   ASN  71           HA       ASN  71  16.584   5.536 -16.212
  584   1HB   ASN  71          2HB       ASN  71  15.758   3.089 -16.667
  585   2HB   ASN  71          1HB       ASN  71  16.213   3.431 -18.336
  586   1HD2  ASN  71          2HD2      ASN  71  19.630   2.910 -17.686
  587   2HD2  ASN  71          1HD2      ASN  71  18.369   2.974 -18.821
  588    H    SER  72           H        SER  72  15.464   7.593 -17.709
  589    HA   SER  72           HA       SER  72  17.379   7.740 -19.974
  590   1HB   SER  72          2HB       SER  72  14.397   8.226 -20.200
  591   2HB   SER  72          1HB       SER  72  15.563   8.777 -21.399
  592    HG   SER  72           HG       SER  72  15.854   6.773 -22.045
  593   1HC   CH3  25          1H        LEU  25   0.054  -3.861 -11.838
  594   2HC   CH3  25          2H        LEU  25  -0.492  -2.215 -11.519
  595   3HC   CH3  25          3H        LEU  25   1.076  -2.757 -10.921
   
  Start of MODEL          18
 Raw file had  595 H/Q atoms
  Start of MODEL   18
    1   1H    GLU   4          2H        GLU   4 -15.989  16.629  -1.802
    2   2H    GLU   4          1H        GLU   4 -14.862  17.799  -2.299
    3   3H    GLU   4          3H        GLU   4 -16.518  18.166  -2.295
    4    HA   GLU   4           HA       GLU   4 -16.962  16.680  -4.073
    5   1HB   GLU   4          2HB       GLU   4 -15.869  18.975  -4.515
    6   2HB   GLU   4          1HB       GLU   4 -14.388  18.072  -4.833
    7   1HG   GLU   4          2HG       GLU   4 -15.326  16.952  -6.689
    8   2HG   GLU   4          1HG       GLU   4 -16.976  17.337  -6.199
    9    H    LEU   5           H        LEU   5 -13.430  16.599  -3.382
   10    HA   LEU   5           HA       LEU   5 -13.493  13.686  -4.039
   11   1HB   LEU   5          2HB       LEU   5 -11.098  14.123  -4.995
   12   2HB   LEU   5          1HB       LEU   5 -12.497  14.481  -6.002
   13    HG   LEU   5           HG       LEU   5 -12.361  16.865  -5.333
   14   1HD1  LEU   5          2HD1      LEU   5 -10.155  15.782  -3.608
   15   2HD1  LEU   5          1HD1      LEU   5 -10.019  17.423  -4.237
   16   3HD1  LEU   5          3HD1      LEU   5 -11.388  16.980  -3.219
   17   1HD2  LEU   5          1HD2      LEU   5 -11.109  15.949  -7.320
   18   2HD2  LEU   5          3HD2      LEU   5 -10.389  17.404  -6.632
   19   3HD2  LEU   5          2HD2      LEU   5  -9.680  15.825  -6.294
   20    NH1  ARG   6           NH1      ARG   6 -14.476  13.281   1.052
   21    NH2  ARG   6           NH2      ARG   6 -14.452  12.437   3.158
   22    H    ARG   6           H        ARG   6 -11.307  12.659  -3.299
   23    HA   ARG   6           HA       ARG   6  -9.797  13.890  -1.194
   24   1HB   ARG   6          2HB       ARG   6 -12.344  13.052  -0.385
   25   2HB   ARG   6          1HB       ARG   6 -11.270  11.766   0.148
   26   1HG   ARG   6          2HG       ARG   6  -9.771  13.613   1.103
   27   2HG   ARG   6          1HG       ARG   6 -11.126  14.708   0.832
   28   1HD   ARG   6          2HD       ARG   6 -11.617  12.137   2.298
   29   2HD   ARG   6          1HD       ARG   6 -10.856  13.477   3.156
   30    HE   ARG   6           HE       ARG   6 -12.879  14.794   2.788
   31   1HH1  ARG   6          2HH1      ARG   6 -14.066  13.860   0.346
   32   2HH1  ARG   6          1HH1      ARG   6 -15.311  12.768   0.854
   33   1HH2  ARG   6          1HH2      ARG   6 -14.025  12.370   4.060
   34   2HH2  ARG   6          2HH2      ARG   6 -15.289  11.924   2.963
   35    H    CYS   7           H        CYS   7  -9.193  11.563   0.311
   36    HA   CYS   7           HA       CYS   7  -7.361  10.190  -1.414
   37   1HB   CYS   7          2HB       CYS   7  -8.318   9.841   1.390
   38   2HB   CYS   7          1HB       CYS   7  -7.505   8.479   0.629
   39    H    GLN   8           H        GLN   8  -7.670   8.504  -2.757
   40    HA   GLN   8           HA       GLN   8 -10.280   7.411  -3.254
   41   1HB   GLN   8          2HB       GLN   8  -7.521   6.948  -4.235
   42   2HB   GLN   8          1HB       GLN   8  -8.609   5.569  -4.372
   43   1HG   GLN   8          2HG       GLN   8  -9.800   8.142  -5.194
   44   2HG   GLN   8          1HG       GLN   8  -8.457   7.603  -6.203
   45   1HE2  GLN   8          2HE2      GLN   8 -10.261   4.905  -7.630
   46   2HE2  GLN   8          1HE2      GLN   8  -8.758   5.681  -7.498
   47    H    CYS   9           H        CYS   9  -7.806   6.603  -0.946
   48    HA   CYS   9           HA       CYS   9  -9.403   4.210  -0.139
   49   1HB   CYS   9          2HB       CYS   9  -6.520   4.399  -0.820
   50   2HB   CYS   9          1HB       CYS   9  -6.911   3.489   0.633
   51    H    ILE  10           H        ILE  10 -10.334   5.050   1.690
   52    HA   ILE  10           HA       ILE  10  -9.031   6.909   3.471
   53    HB   ILE  10           HB       ILE  10 -11.372   5.062   4.057
   54   1HG1  ILE  10          2HG1      ILE  10 -12.167   7.762   3.569
   55   2HG1  ILE  10          1HG1      ILE  10 -11.133   7.267   2.228
   56   1HG2  ILE  10          3HG2      ILE  10 -10.358   7.610   5.351
   57   2HG2  ILE  10          2HG2      ILE  10 -11.948   6.919   5.674
   58   3HG2  ILE  10          1HG2      ILE  10 -10.493   6.017   6.094
   59   1HD1  ILE  10          3HD1      ILE  10 -12.509   5.217   1.950
   60   2HD1  ILE  10          2HD1      ILE  10 -13.566   5.769   3.249
   61   3HD1  ILE  10          1HD1      ILE  10 -13.466   6.684   1.745
   62    H    LYS  11           H        LYS  11  -9.193   3.396   3.308
   63    HA   LYS  11           HA       LYS  11  -7.472   3.255   5.757
   64   1HB   LYS  11          2HB       LYS  11  -8.324   0.977   6.091
   65   2HB   LYS  11          1HB       LYS  11  -9.667   2.116   6.018
   66   1HG   LYS  11          2HG       LYS  11 -10.140   1.510   3.719
   67   2HG   LYS  11          1HG       LYS  11  -8.691   0.507   3.639
   68   1HD   LYS  11          2HD       LYS  11  -9.723  -0.782   5.637
   69   2HD   LYS  11          1HD       LYS  11 -11.231   0.013   5.185
   70   1HE   LYS  11          2HE       LYS  11 -10.314  -0.891   2.751
   71   2HE   LYS  11          1HE       LYS  11  -9.788  -2.173   3.841
   72   1HZ   LYS  11          2HZ       LYS  11 -12.093  -2.189   4.741
   73   2HZ   LYS  11          1HZ       LYS  11 -12.542  -1.129   3.493
   74   3HZ   LYS  11          3HZ       LYS  11 -11.977  -2.683   3.121
   75    H    THR  12           H        THR  12  -5.841   1.433   5.669
   76    HA   THR  12           HA       THR  12  -5.083   0.713   2.882
   77    HB   THR  12           HB       THR  12  -2.624   1.101   4.020
   78    HG1  THR  12           HG1      THR  12  -2.942   2.377   5.650
   79   1HG2  THR  12          3HG2      THR  12  -3.385   1.729   1.768
   80   2HG2  THR  12          2HG2      THR  12  -4.266   3.095   2.453
   81   3HG2  THR  12          1HG2      THR  12  -2.506   3.043   2.547
   82    OH   TYR  13           OH       TYR  13  -2.841  -8.848   4.326
   83    H    TYR  13           H        TYR  13  -2.763  -0.617   3.354
   84    HA   TYR  13           HA       TYR  13  -3.679  -2.898   5.028
   85   1HB   TYR  13          2HB       TYR  13  -3.329  -3.042   2.444
   86   2HB   TYR  13          1HB       TYR  13  -1.616  -3.048   2.844
   87    HD1  TYR  13           HD1      TYR  13  -4.016  -4.521   5.180
   88    HD2  TYR  13           HD2      TYR  13  -1.354  -5.274   1.900
   89    HE1  TYR  13           HE1      TYR  13  -4.116  -6.958   5.668
   90    HE2  TYR  13           HE2      TYR  13  -1.450  -7.717   2.384
   91    HH   TYR  13           HH       TYR  13  -3.596  -9.215   3.857
   92    H    SER  14           H        SER  14  -2.564  -3.068   6.902
   93    HA   SER  14           HA       SER  14   0.168  -1.933   7.104
   94   1HB   SER  14          2HB       SER  14  -1.735  -3.083   9.165
   95   2HB   SER  14          1HB       SER  14  -0.094  -2.568   9.544
   96    HG   SER  14           HG       SER  14  -2.355  -1.082   8.947
   97    H    LYS  15           H        LYS  15  -1.522  -5.034   7.138
   98    HA   LYS  15           HA       LYS  15   0.830  -6.565   7.890
   99   1HB   LYS  15          2HB       LYS  15  -1.230  -7.961   6.314
  100   2HB   LYS  15          1HB       LYS  15  -0.519  -8.396   7.850
  101   1HG   LYS  15          2HG       LYS  15  -1.914  -6.503   8.876
  102   2HG   LYS  15          1HG       LYS  15  -2.800  -6.483   7.352
  103   1HD   LYS  15          2HD       LYS  15  -4.064  -7.959   8.672
  104   2HD   LYS  15          1HD       LYS  15  -3.051  -9.047   7.724
  105   1HE   LYS  15          2HE       LYS  15  -1.398  -8.645   9.815
  106   2HE   LYS  15          1HE       LYS  15  -2.943  -8.408  10.630
  107   1HZ   LYS  15          3HZ       LYS  15  -3.679 -10.546   9.729
  108   2HZ   LYS  15          2HZ       LYS  15  -2.151 -10.777   9.023
  109   3HZ   LYS  15          1HZ       LYS  15  -2.309 -10.715  10.713
  110    HA   PRO  16           HA       PRO  16   2.608  -6.486   3.852
  111   1HB   PRO  16          2HB       PRO  16   4.664  -8.197   4.413
  112   2HB   PRO  16          1HB       PRO  16   4.619  -6.527   4.954
  113   1HG   PRO  16          2HG       PRO  16   4.253  -9.002   6.544
  114   2HG   PRO  16          1HG       PRO  16   4.719  -7.382   7.087
  115   1HD   PRO  16          2HD       PRO  16   2.118  -8.589   7.269
  116   2HD   PRO  16          1HD       PRO  16   2.559  -6.929   7.709
  117    H    PHE  17           H        PHE  17   3.048  -7.937   2.046
  118    HA   PHE  17           HA       PHE  17   2.406 -10.770   2.252
  119   1HB   PHE  17          2HB       PHE  17   0.416 -10.827   0.919
  120   2HB   PHE  17          1HB       PHE  17   0.133  -9.657   2.199
  121    HD1  PHE  17           HD2      PHE  17   0.619  -7.150   1.627
  122    HD2  PHE  17           HD1      PHE  17   0.094 -10.231  -1.322
  123    HE1  PHE  17           HE2      PHE  17   0.097  -5.431  -0.082
  124    HE2  PHE  17           HE1      PHE  17  -0.432  -8.510  -3.026
  125    HZ   PHE  17           HZ       PHE  17  -0.431  -6.111  -2.405
  126    H    HIS  18           H        HIS  18   2.718 -11.891   0.161
  127    HA   HIS  18           HA       HIS  18   4.984 -10.839  -1.260
  128   1HB   HIS  18          2HB       HIS  18   4.881 -13.171  -0.989
  129   2HB   HIS  18          1HB       HIS  18   3.229 -13.247  -1.587
  130    HD1  HIS  18           HD1      HIS  18   6.788 -13.031  -2.749
  131    HD2  HIS  18           HD2      HIS  18   2.967 -13.023  -4.344
  132    HE1  HIS  18           HE1      HIS  18   7.046 -13.340  -5.260
  133    HA   PRO  19           HA       PRO  19   2.975  -8.311  -4.204
  134   1HB   PRO  19          2HB       PRO  19   5.092  -7.979  -5.908
  135   2HB   PRO  19          1HB       PRO  19   4.933  -7.168  -4.342
  136   1HG   PRO  19          2HG       PRO  19   6.669  -9.470  -5.104
  137   2HG   PRO  19          1HG       PRO  19   6.926  -8.233  -3.863
  138   1HD   PRO  19          2HD       PRO  19   6.043 -10.864  -3.390
  139   2HD   PRO  19          1HD       PRO  19   5.934  -9.520  -2.240
  140    H    LYS  20           H        LYS  20   4.807 -11.026  -5.727
  141    HA   LYS  20           HA       LYS  20   3.796 -10.791  -8.307
  142   1HB   LYS  20          2HB       LYS  20   5.437 -12.547  -7.359
  143   2HB   LYS  20          1HB       LYS  20   3.987 -13.514  -7.156
  144   1HG   LYS  20          2HG       LYS  20   3.540 -13.587  -9.453
  145   2HG   LYS  20          1HG       LYS  20   4.525 -12.160  -9.778
  146   1HD   LYS  20          2HD       LYS  20   6.500 -13.346  -9.767
  147   2HD   LYS  20          1HD       LYS  20   5.904 -14.533  -8.607
  148   1HE   LYS  20          2HE       LYS  20   4.491 -14.521 -11.205
  149   2HE   LYS  20          1HE       LYS  20   6.180 -15.022 -11.280
  150   1HZ   LYS  20          1HZ       LYS  20   5.716 -16.605  -9.478
  151   2HZ   LYS  20          3HZ       LYS  20   4.078 -16.165  -9.520
  152   3HZ   LYS  20          2HZ       LYS  20   4.789 -16.919 -10.867
  153    H    PHE  21           H        PHE  21   1.986 -11.810  -5.484
  154    HA   PHE  21           HA       PHE  21  -0.194 -13.112  -6.791
  155   1HB   PHE  21          2HB       PHE  21  -0.286 -11.407  -4.328
  156   2HB   PHE  21          1HB       PHE  21  -1.479 -12.592  -4.798
  157    HD1  PHE  21           HD1      PHE  21   0.673 -14.650  -5.820
  158    HD2  PHE  21           HD2      PHE  21   0.182 -12.418  -2.180
  159    HE1  PHE  21           HE1      PHE  21   1.930 -16.387  -4.577
  160    HE2  PHE  21           HE2      PHE  21   1.439 -14.156  -0.943
  161    HZ   PHE  21           HZ       PHE  21   2.313 -16.144  -2.142
  162    H    ILE  22           H        ILE  22   0.553  -9.734  -6.135
  163    HA   ILE  22           HA       ILE  22  -1.932  -8.562  -6.912
  164    HB   ILE  22           HB       ILE  22   0.857  -7.377  -7.171
  165   1HG1  ILE  22          2HG1      ILE  22  -0.982  -6.823  -4.868
  166   2HG1  ILE  22          1HG1      ILE  22  -0.070  -8.332  -4.861
  167   1HG2  ILE  22          3HG2      ILE  22  -1.932  -6.256  -7.214
  168   2HG2  ILE  22          2HG2      ILE  22  -0.579  -5.260  -6.683
  169   3HG2  ILE  22          1HG2      ILE  22  -0.595  -5.931  -8.313
  170   1HD1  ILE  22          1HD1      ILE  22   1.943  -6.720  -5.506
  171   2HD1  ILE  22          3HD1      ILE  22   0.927  -5.515  -4.716
  172   3HD1  ILE  22          2HD1      ILE  22   1.461  -6.938  -3.824
  173    H    LYS  23           H        LYS  23  -2.869  -8.607  -8.866
  174    HA   LYS  23           HA       LYS  23  -1.353  -9.338 -11.268
  175   1HB   LYS  23          2HB       LYS  23  -4.204  -8.991 -10.524
  176   2HB   LYS  23          1HB       LYS  23  -3.808  -8.592 -12.195
  177   1HG   LYS  23          2HG       LYS  23  -2.421 -10.926 -11.880
  178   2HG   LYS  23          1HG       LYS  23  -3.813 -11.217 -10.837
  179   1HD   LYS  23          2HD       LYS  23  -5.347 -10.715 -12.662
  180   2HD   LYS  23          1HD       LYS  23  -4.001 -10.271 -13.711
  181   1HE   LYS  23          2HE       LYS  23  -4.016 -12.993 -12.451
  182   2HE   LYS  23          1HE       LYS  23  -5.050 -12.695 -13.848
  183   1HZ   LYS  23          2HZ       LYS  23  -3.095 -11.888 -15.052
  184   2HZ   LYS  23          1HZ       LYS  23  -2.114 -12.257 -13.714
  185   3HZ   LYS  23          3HZ       LYS  23  -2.905 -13.501 -14.552
  186    H    GLU  24           H        GLU  24  -2.503  -6.411  -9.719
  187    HA   GLU  24           HA       GLU  24  -1.085  -4.799 -11.747
  188   1HB   GLU  24          2HB       GLU  24  -4.050  -4.838 -11.408
  189   2HB   GLU  24          1HB       GLU  24  -3.289  -3.262 -11.622
  190   1HG   GLU  24          2HG       GLU  24  -2.029  -4.436 -13.600
  191   2HG   GLU  24          1HG       GLU  24  -3.348  -5.602 -13.508
  192    HA   LEU  25           HA       LEU  25  -0.887  -2.654  -7.803
  193   1HB   LEU  25          2HB       LEU  25   1.140  -3.858  -7.436
  194   2HB   LEU  25          1HB       LEU  25   1.956  -3.048  -8.773
  195    HG   LEU  25           HG       LEU  25   0.915  -1.159  -6.786
  196   1HD1  LEU  25          2HD1      LEU  25   1.830  -3.460  -5.625
  197   2HD1  LEU  25          1HD1      LEU  25   3.309  -2.503  -5.725
  198   3HD1  LEU  25          3HD1      LEU  25   1.900  -1.864  -4.877
  199   1HD2  LEU  25          3HD2      LEU  25   3.125  -1.485  -8.618
  200   2HD2  LEU  25          2HD2      LEU  25   2.556  -0.016  -7.825
  201   3HD2  LEU  25          1HD2      LEU  25   3.739  -1.048  -7.023
  202    NH1  ARG  26           NH2      ARG  26  -6.118   4.137  -8.519
  203    NH2  ARG  26           NH1      ARG  26  -7.721   2.611  -9.012
  204    H    ARG  26           H        ARG  26  -1.844  -0.651  -8.183
  205    HA   ARG  26           HA       ARG  26  -0.126   1.330  -9.604
  206   1HB   ARG  26          2HB       ARG  26  -2.356   2.512 -10.127
  207   2HB   ARG  26          1HB       ARG  26  -2.019   1.026 -11.013
  208   1HG   ARG  26          2HG       ARG  26  -3.642  -0.175  -9.898
  209   2HG   ARG  26          1HG       ARG  26  -3.475   0.767  -8.418
  210   1HD   ARG  26          2HD       ARG  26  -4.372   2.618 -10.313
  211   2HD   ARG  26          1HD       ARG  26  -5.301   1.158 -10.652
  212    HE   ARG  26           HE       ARG  26  -5.469   1.408  -7.901
  213   1HH1  ARG  26          1HH2      ARG  26  -5.163   4.356  -8.317
  214   2HH1  ARG  26          2HH2      ARG  26  -6.802   4.867  -8.545
  215   1HH2  ARG  26          2HH1      ARG  26  -7.990   1.663  -9.188
  216   2HH2  ARG  26          1HH1      ARG  26  -8.408   3.338  -9.040
  217    H    VAL  27           H        VAL  27   0.402   3.140  -8.436
  218    HA   VAL  27           HA       VAL  27  -0.912   3.503  -5.789
  219    HB   VAL  27           HB       VAL  27   1.127   4.880  -5.288
  220   1HG1  VAL  27          3HG1      VAL  27   1.608   2.031  -6.188
  221   2HG1  VAL  27          2HG1      VAL  27   2.647   2.937  -5.088
  222   3HG1  VAL  27          1HG1      VAL  27   1.000   2.529  -4.611
  223   1HG2  VAL  27          2HG2      VAL  27   1.566   5.251  -7.821
  224   2HG2  VAL  27          1HG2      VAL  27   2.958   4.990  -6.771
  225   3HG2  VAL  27          3HG2      VAL  27   2.343   3.669  -7.764
  226    H    ILE  28           H        ILE  28  -1.522   5.680  -5.136
  227    HA   ILE  28           HA       ILE  28  -2.009   7.490  -7.473
  228    HB   ILE  28           HB       ILE  28  -3.528   7.179  -4.863
  229   1HG1  ILE  28          2HG1      ILE  28  -4.379   6.780  -7.753
  230   2HG1  ILE  28          1HG1      ILE  28  -3.950   5.475  -6.647
  231   1HG2  ILE  28          1HG2      ILE  28  -3.675   9.255  -7.052
  232   2HG2  ILE  28          3HG2      ILE  28  -5.088   8.871  -6.070
  233   3HG2  ILE  28          2HG2      ILE  28  -3.629   9.500  -5.308
  234   1HD1  ILE  28          1HD1      ILE  28  -5.749   6.405  -5.081
  235   2HD1  ILE  28          3HD1      ILE  28  -6.282   7.389  -6.444
  236   3HD1  ILE  28          2HD1      ILE  28  -6.330   5.631  -6.555
  237    H    GLU  29           H        GLU  29  -1.059   9.486  -7.416
  238    HA   GLU  29           HA       GLU  29   0.847  10.114  -5.336
  239   1HB   GLU  29          2HB       GLU  29  -0.238  11.706  -7.670
  240   2HB   GLU  29          1HB       GLU  29   1.028  12.294  -6.602
  241   1HG   GLU  29          2HG       GLU  29   2.608  10.936  -7.510
  242   2HG   GLU  29          1HG       GLU  29   1.496   9.573  -7.632
  243    H    SER  30           H        SER  30   0.764  12.432  -4.349
  244    HA   SER  30           HA       SER  30  -1.942  12.791  -3.143
  245   1HB   SER  30          2HB       SER  30  -0.393  14.249  -1.523
  246   2HB   SER  30          1HB       SER  30  -0.572  12.512  -1.312
  247    HG   SER  30           HG       SER  30   1.566  12.744  -1.398
  248    H    GLY  31           H        GLY  31  -2.539  15.080  -2.637
  249   1HA   GLY  31          2HA       GLY  31  -1.246  17.290  -3.965
  250   2HA   GLY  31          1HA       GLY  31  -2.628  16.730  -4.898
  251    HA   PRO  32           HA       PRO  32  -4.491  19.631  -1.901
  252   1HB   PRO  32          2HB       PRO  32  -6.448  20.460  -3.657
  253   2HB   PRO  32          1HB       PRO  32  -4.840  21.197  -3.564
  254   1HG   PRO  32          2HG       PRO  32  -5.929  19.313  -5.612
  255   2HG   PRO  32          1HG       PRO  32  -4.695  20.572  -5.790
  256   1HD   PRO  32          2HD       PRO  32  -4.170  17.823  -5.568
  257   2HD   PRO  32          1HD       PRO  32  -2.985  19.116  -5.291
  258    H    HIS  33           H        HIS  33  -5.954  17.307  -4.112
  259    HA   HIS  33           HA       HIS  33  -8.459  16.881  -2.849
  260   1HB   HIS  33          2HB       HIS  33  -8.390  14.641  -3.973
  261   2HB   HIS  33          1HB       HIS  33  -7.965  15.954  -5.070
  262    HD1  HIS  33           HD1      HIS  33  -5.366  16.245  -5.619
  263    HD2  HIS  33           HD2      HIS  33  -6.332  12.772  -3.524
  264    HE1  HIS  33           HE1      HIS  33  -3.293  14.797  -5.653
  265    H    CYS  34           H        CYS  34  -5.252  15.537  -2.182
  266    HA   CYS  34           HA       CYS  34  -6.000  14.861   0.520
  267   1HB   CYS  34          2HB       CYS  34  -6.598  12.901  -1.289
  268   2HB   CYS  34          1HB       CYS  34  -4.953  12.457  -0.838
  269    H    ALA  35           H        ALA  35  -4.213  15.532   1.600
  270    HA   ALA  35           HA       ALA  35  -1.667  15.935   0.329
  271   1HB   ALA  35          3HB       ALA  35  -2.394  15.831   3.269
  272   2HB   ALA  35          2HB       ALA  35  -0.856  16.414   2.631
  273   3HB   ALA  35          1HB       ALA  35  -2.349  17.273   2.256
  274    H    ASN  36           H        ASN  36  -2.966  13.275   2.274
  275    HA   ASN  36           HA       ASN  36  -0.370  11.952   2.511
  276   1HB   ASN  36          2HB       ASN  36  -3.190  11.317   3.296
  277   2HB   ASN  36          1HB       ASN  36  -2.019  10.003   3.213
  278   1HD2  ASN  36          2HD2      ASN  36  -0.153  11.127   6.041
  279   2HD2  ASN  36          1HD2      ASN  36  -0.113  10.132   4.667
  280    H    THR  37           H        THR  37   0.445  10.369   1.196
  281    HA   THR  37           HA       THR  37  -0.937   9.856  -1.364
  282    HB   THR  37           HB       THR  37   1.650   8.525  -0.635
  283    HG1  THR  37           HG1      THR  37   2.487  10.377  -0.155
  284   1HG2  THR  37          1HG2      THR  37   0.367   9.723  -3.082
  285   2HG2  THR  37          3HG2      THR  37   2.099   9.393  -3.039
  286   3HG2  THR  37          2HG2      THR  37   0.945   8.075  -2.834
  287    H    GLU  38           H        GLU  38  -1.320   7.597  -2.112
  288    HA   GLU  38           HA       GLU  38  -1.345   5.555   0.054
  289   1HB   GLU  38          2HB       GLU  38  -3.615   6.983  -0.438
  290   2HB   GLU  38          1HB       GLU  38  -3.816   5.653  -1.577
  291   1HG   GLU  38          2HG       GLU  38  -4.797   4.817   0.393
  292   2HG   GLU  38          1HG       GLU  38  -3.174   4.128   0.431
  293    H    ILE  39           H        ILE  39  -1.046   3.464  -0.701
  294    HA   ILE  39           HA       ILE  39  -0.479   3.201  -3.608
  295    HB   ILE  39           HB       ILE  39   0.142   1.501  -1.172
  296   1HG1  ILE  39          2HG1      ILE  39   2.368   2.105  -2.892
  297   2HG1  ILE  39          1HG1      ILE  39   1.488   3.595  -2.560
  298   1HG2  ILE  39          3HG2      ILE  39   0.482   0.838  -4.106
  299   2HG2  ILE  39          2HG2      ILE  39   1.429   0.057  -2.842
  300   3HG2  ILE  39          1HG2      ILE  39  -0.326  -0.121  -2.866
  301   1HD1  ILE  39          3HD1      ILE  39   1.747   1.973  -0.158
  302   2HD1  ILE  39          2HD1      ILE  39   3.324   2.333  -0.862
  303   3HD1  ILE  39          1HD1      ILE  39   2.230   3.647  -0.431
  304    H    ILE  40           H        ILE  40  -1.382   1.267  -4.753
  305    HA   ILE  40           HA       ILE  40  -3.760   0.028  -3.497
  306    HB   ILE  40           HB       ILE  40  -3.954   1.419  -6.189
  307   1HG1  ILE  40          2HG1      ILE  40  -5.281   2.192  -3.572
  308   2HG1  ILE  40          1HG1      ILE  40  -3.822   2.968  -4.183
  309   1HG2  ILE  40          2HG2      ILE  40  -5.992   0.017  -4.432
  310   2HG2  ILE  40          1HG2      ILE  40  -6.369   0.875  -5.925
  311   3HG2  ILE  40          3HG2      ILE  40  -5.369  -0.577  -5.969
  312   1HD1  ILE  40          3HD1      ILE  40  -6.466   2.823  -5.660
  313   2HD1  ILE  40          2HD1      ILE  40  -5.856   4.239  -4.802
  314   3HD1  ILE  40          1HD1      ILE  40  -5.007   3.638  -6.225
  315    H    VAL  41           H        VAL  41  -4.001  -2.067  -4.170
  316    HA   VAL  41           HA       VAL  41  -2.534  -2.974  -6.576
  317    HB   VAL  41           HB       VAL  41  -1.825  -4.972  -5.268
  318   1HG1  VAL  41          2HG1      VAL  41  -0.370  -2.939  -5.629
  319   2HG1  VAL  41          1HG1      VAL  41  -0.841  -2.409  -4.015
  320   3HG1  VAL  41          3HG1      VAL  41   0.058  -3.911  -4.222
  321   1HG2  VAL  41          3HG2      VAL  41  -3.668  -4.331  -3.448
  322   2HG2  VAL  41          2HG2      VAL  41  -2.219  -5.236  -3.013
  323   3HG2  VAL  41          1HG2      VAL  41  -2.292  -3.499  -2.723
  324    H    LYS  42           H        LYS  42  -3.328  -5.152  -7.275
  325    HA   LYS  42           HA       LYS  42  -6.128  -5.698  -6.392
  326   1HB   LYS  42          2HB       LYS  42  -5.173  -4.878  -9.006
  327   2HB   LYS  42          1HB       LYS  42  -5.903  -6.480  -9.101
  328   1HG   LYS  42          2HG       LYS  42  -7.826  -5.449  -7.690
  329   2HG   LYS  42          1HG       LYS  42  -7.156  -3.895  -8.189
  330   1HD   LYS  42          2HD       LYS  42  -7.718  -6.039 -10.231
  331   2HD   LYS  42          1HD       LYS  42  -9.012  -4.982  -9.666
  332   1HE   LYS  42          2HE       LYS  42  -7.955  -3.040 -10.500
  333   2HE   LYS  42          1HE       LYS  42  -6.390  -3.843 -10.632
  334   1HZ   LYS  42          1HZ       LYS  42  -7.339  -5.260 -12.376
  335   2HZ   LYS  42          3HZ       LYS  42  -8.797  -4.398 -12.281
  336   3HZ   LYS  42          2HZ       LYS  42  -7.382  -3.614 -12.796
  337    H    LEU  43           H        LEU  43  -5.792  -7.601  -5.267
  338    HA   LEU  43           HA       LEU  43  -3.806  -9.551  -5.849
  339   1HB   LEU  43          2HB       LEU  43  -6.397  -9.649  -4.322
  340   2HB   LEU  43          1HB       LEU  43  -5.381 -11.065  -4.487
  341    HG   LEU  43           HG       LEU  43  -4.311  -8.421  -3.485
  342   1HD1  LEU  43          2HD1      LEU  43  -5.340 -10.768  -1.863
  343   2HD1  LEU  43          1HD1      LEU  43  -4.503  -9.360  -1.208
  344   3HD1  LEU  43          3HD1      LEU  43  -6.087  -9.173  -1.957
  345   1HD2  LEU  43          2HD2      LEU  43  -3.014 -10.688  -4.355
  346   2HD2  LEU  43          1HD2      LEU  43  -2.338  -9.520  -3.219
  347   3HD2  LEU  43          3HD2      LEU  43  -3.126 -10.979  -2.618
  348    H    SER  44           H        SER  44  -3.893 -11.489  -6.963
  349    HA   SER  44           HA       SER  44  -5.358 -11.637  -9.363
  350   1HB   SER  44          2HB       SER  44  -3.220 -12.941  -8.514
  351   2HB   SER  44          1HB       SER  44  -4.409 -14.155  -8.055
  352    HG   SER  44           HG       SER  44  -3.428 -13.589 -10.476
  353    H    ASP  45           H        ASP  45  -6.250 -12.722  -6.143
  354    HA   ASP  45           HA       ASP  45  -8.309 -14.550  -6.946
  355   1HB   ASP  45          2HB       ASP  45  -7.866 -13.007  -4.381
  356   2HB   ASP  45          1HB       ASP  45  -9.147 -14.201  -4.586
  357    H    GLY  46           H        GLY  46  -8.118 -11.186  -7.257
  358   1HA   GLY  46          2HA       GLY  46  -9.840  -9.890  -8.339
  359   2HA   GLY  46          1HA       GLY  46 -11.044 -11.008  -7.696
  360    NH1  ARG  47           NH1      ARG  47 -12.096  -9.257   1.345
  361    NH2  ARG  47           NH2      ARG  47 -10.859 -11.152   1.511
  362    H    ARG  47           H        ARG  47  -8.391  -9.595  -5.813
  363    HA   ARG  47           HA       ARG  47 -10.468  -8.244  -4.130
  364   1HB   ARG  47          2HB       ARG  47  -8.866 -10.137  -3.260
  365   2HB   ARG  47          1HB       ARG  47  -7.673  -8.843  -3.213
  366   1HG   ARG  47          2HG       ARG  47  -8.549  -8.087  -1.280
  367   2HG   ARG  47          1HG       ARG  47 -10.113  -7.866  -2.064
  368   1HD   ARG  47          2HD       ARG  47 -10.844 -10.037  -1.492
  369   2HD   ARG  47          1HD       ARG  47  -9.207 -10.592  -1.145
  370    HE   ARG  47           HE       ARG  47  -9.467  -8.707   0.760
  371   1HH1  ARG  47          2HH1      ARG  47 -12.206  -8.321   1.008
  372   2HH1  ARG  47          1HH1      ARG  47 -12.819  -9.679   1.892
  373   1HH2  ARG  47          1HH2      ARG  47 -10.025 -11.663   1.302
  374   2HH2  ARG  47          2HH2      ARG  47 -11.580 -11.577   2.058
  375    H    GLU  48           H        GLU  48  -9.656  -6.232  -3.025
  376    HA   GLU  48           HA       GLU  48  -7.613  -4.745  -4.609
  377   1HB   GLU  48          2HB       GLU  48 -10.091  -4.213  -5.232
  378   2HB   GLU  48          1HB       GLU  48 -10.151  -3.406  -3.665
  379   1HG   GLU  48          2HG       GLU  48  -7.884  -2.798  -5.543
  380   2HG   GLU  48          1HG       GLU  48  -9.454  -2.047  -5.817
  381    H    LEU  49           H        LEU  49  -6.056  -4.382  -3.081
  382    HA   LEU  49           HA       LEU  49  -6.981  -3.462  -0.374
  383   1HB   LEU  49          2HB       LEU  49  -5.193  -5.642  -1.116
  384   2HB   LEU  49          1HB       LEU  49  -4.399  -4.477  -0.058
  385    HG   LEU  49           HG       LEU  49  -6.577  -4.628   1.364
  386   1HD1  LEU  49          1HD1      LEU  49  -6.738  -7.106  -0.367
  387   2HD1  LEU  49          3HD1      LEU  49  -7.555  -6.969   1.190
  388   3HD1  LEU  49          2HD1      LEU  49  -7.980  -5.876  -0.127
  389   1HD2  LEU  49          2HD2      LEU  49  -4.222  -5.576   1.832
  390   2HD2  LEU  49          1HD2      LEU  49  -5.568  -6.308   2.704
  391   3HD2  LEU  49          3HD2      LEU  49  -4.875  -7.125   1.303
  392    H    CYS  50           H        CYS  50  -6.302  -1.430   0.089
  393    HA   CYS  50           HA       CYS  50  -4.253  -0.157  -1.597
  394   1HB   CYS  50          2HB       CYS  50  -5.101   1.315   0.762
  395   2HB   CYS  50          1HB       CYS  50  -5.085   1.820  -0.910
  396    H    LEU  51           H        LEU  51  -2.126   0.011  -0.954
  397    HA   LEU  51           HA       LEU  51  -1.425  -1.234   1.603
  398   1HB   LEU  51          2HB       LEU  51   0.374  -0.236  -0.595
  399   2HB   LEU  51          1HB       LEU  51   0.847  -1.228   0.762
  400    HG   LEU  51           HG       LEU  51  -0.672  -2.000  -1.692
  401   1HD1  LEU  51          2HD1      LEU  51   1.747  -2.554  -1.237
  402   2HD1  LEU  51          1HD1      LEU  51   1.200  -3.556   0.106
  403   3HD1  LEU  51          3HD1      LEU  51   0.727  -3.959  -1.543
  404   1HD2  LEU  51          1HD2      LEU  51  -1.192  -3.083   1.081
  405   2HD2  LEU  51          3HD2      LEU  51  -2.361  -2.660  -0.170
  406   3HD2  LEU  51          2HD2      LEU  51  -1.378  -4.112  -0.338
  407    H    ASP  52           H        ASP  52   0.050  -0.299   3.048
  408    HA   ASP  52           HA       ASP  52  -0.205   2.660   3.242
  409   1HB   ASP  52          2HB       ASP  52  -0.968   0.894   5.071
  410   2HB   ASP  52          1HB       ASP  52   0.740   0.926   5.501
  411    HA   PRO  53           HA       PRO  53   4.146   2.605   2.202
  412   1HB   PRO  53          2HB       PRO  53   4.412   5.351   2.197
  413   2HB   PRO  53          1HB       PRO  53   3.787   4.409   0.832
  414   1HG   PRO  53          2HG       PRO  53   2.288   6.075   2.813
  415   2HG   PRO  53          1HG       PRO  53   1.898   5.718   1.121
  416   1HD   PRO  53          2HD       PRO  53   0.690   4.491   3.325
  417   2HD   PRO  53          1HD       PRO  53   0.697   3.835   1.673
  418    H    LYS  54           H        LYS  54   2.655   3.554   5.121
  419    HA   LYS  54           HA       LYS  54   4.808   4.789   6.497
  420   1HB   LYS  54          2HB       LYS  54   2.232   3.578   7.201
  421   2HB   LYS  54          1HB       LYS  54   3.461   3.363   8.446
  422   1HG   LYS  54          2HG       LYS  54   2.750   5.446   9.085
  423   2HG   LYS  54          1HG       LYS  54   3.896   5.961   7.847
  424   1HD   LYS  54          2HD       LYS  54   2.020   5.911   6.177
  425   2HD   LYS  54          1HD       LYS  54   0.909   5.574   7.505
  426   1HE   LYS  54          2HE       LYS  54   1.568   7.675   8.608
  427   2HE   LYS  54          1HE       LYS  54   2.698   8.014   7.297
  428   1HZ   LYS  54          2HZ       LYS  54  -0.199   7.579   6.850
  429   2HZ   LYS  54          1HZ       LYS  54   0.470   9.116   7.124
  430   3HZ   LYS  54          3HZ       LYS  54   0.940   8.220   5.764
  431    H    GLU  55           H        GLU  55   4.159   1.417   5.679
  432    HA   GLU  55           HA       GLU  55   6.211   0.436   7.551
  433   1HB   GLU  55          2HB       GLU  55   4.371  -0.847   5.547
  434   2HB   GLU  55          1HB       GLU  55   5.728  -1.739   6.195
  435   1HG   GLU  55          2HG       GLU  55   4.411  -0.458   8.370
  436   2HG   GLU  55          1HG       GLU  55   3.193  -1.297   7.418
  437    H    ASN  56           H        ASN  56   7.881  -1.067   6.535
  438    HA   ASN  56           HA       ASN  56   9.202   0.370   4.305
  439   1HB   ASN  56          2HB       ASN  56  10.109  -0.923   6.663
  440   2HB   ASN  56          1HB       ASN  56  10.798  -1.753   5.273
  441   1HD2  ASN  56          2HD2      ASN  56  13.091   0.831   4.617
  442   2HD2  ASN  56          1HD2      ASN  56  12.637  -0.787   4.379
  443    CH2  TRP  57           CH2      TRP  57   1.720  -4.558   2.367
  444    H    TRP  57           H        TRP  57   7.423  -2.501   4.953
  445    HA   TRP  57           HA       TRP  57   8.561  -4.063   2.816
  446   1HB   TRP  57          2HB       TRP  57   6.926  -5.704   3.377
  447   2HB   TRP  57          1HB       TRP  57   7.464  -5.009   4.879
  448    HD1  TRP  57           HD1      TRP  57   5.734  -3.832   6.329
  449    HE1  TRP  57           HE1      TRP  57   3.189  -3.559   6.194
  450    HE3  TRP  57           HE3      TRP  57   4.943  -5.285   1.521
  451    HZ2  TRP  57           HZ2      TRP  57   1.080  -3.853   4.298
  452    HZ3  TRP  57           HZ3      TRP  57   2.662  -5.256   0.565
  453    HH2  TRP  57           HH2      TRP  57   0.727  -4.553   1.943
  454    H    VAL  58           H        VAL  58   5.755  -1.954   3.220
  455    HA   VAL  58           HA       VAL  58   4.526  -2.574   0.688
  456    HB   VAL  58           HB       VAL  58   4.375  -0.292   2.631
  457   1HG1  VAL  58          3HG1      VAL  58   3.388  -0.281  -0.212
  458   2HG1  VAL  58          2HG1      VAL  58   2.516   0.600   1.042
  459   3HG1  VAL  58          1HG1      VAL  58   4.192   1.008   0.683
  460   1HG2  VAL  58          3HG2      VAL  58   2.581  -2.448   1.589
  461   2HG2  VAL  58          2HG2      VAL  58   2.953  -2.014   3.257
  462   3HG2  VAL  58          1HG2      VAL  58   1.876  -0.999   2.302
  463    H    GLN  59           H        GLN  59   6.894  -0.088   1.671
  464    HA   GLN  59           HA       GLN  59   7.131   1.018  -0.983
  465   1HB   GLN  59          2HB       GLN  59   9.131   2.177  -0.052
  466   2HB   GLN  59          1HB       GLN  59   7.667   2.428   0.894
  467   1HG   GLN  59          2HG       GLN  59   8.344   0.720   2.466
  468   2HG   GLN  59          1HG       GLN  59   9.749   0.326   1.484
  469   1HE2  GLN  59          2HE2      GLN  59   9.786   3.860   3.605
  470   2HE2  GLN  59          1HE2      GLN  59   8.295   3.183   3.161
  471    NH1  ARG  60           NH1      ARG  60  15.037  -2.154   3.369
  472    NH2  ARG  60           NH2      ARG  60  14.604  -4.107   4.435
  473    H    ARG  60           H        ARG  60   8.706  -1.591   0.748
  474    HA   ARG  60           HA       ARG  60  10.899  -1.863  -1.177
  475   1HB   ARG  60          2HB       ARG  60   9.917  -3.378   1.217
  476   2HB   ARG  60          1HB       ARG  60  10.922  -4.235   0.052
  477   1HG   ARG  60          2HG       ARG  60  12.746  -2.753   0.363
  478   2HG   ARG  60          1HG       ARG  60  11.735  -1.547   1.159
  479   1HD   ARG  60          2HD       ARG  60  12.062  -2.503   3.173
  480   2HD   ARG  60          1HD       ARG  60  11.583  -4.084   2.557
  481    HE   ARG  60           HE       ARG  60  14.004  -4.245   1.708
  482   1HH1  ARG  60          2HH1      ARG  60  14.906  -1.546   2.585
  483   2HH1  ARG  60          1HH1      ARG  60  15.634  -1.874   4.122
  484   1HH2  ARG  60          1HH2      ARG  60  14.140  -4.993   4.466
  485   2HH2  ARG  60          2HH2      ARG  60  15.200  -3.829   5.190
  486    H    VAL  61           H        VAL  61   7.786  -3.428  -0.488
  487    HA   VAL  61           HA       VAL  61   7.895  -5.453  -2.496
  488    HB   VAL  61           HB       VAL  61   5.661  -4.011  -1.069
  489   1HG1  VAL  61          1HG1      VAL  61   5.468  -5.867  -3.417
  490   2HG1  VAL  61          3HG1      VAL  61   4.227  -5.911  -2.166
  491   3HG1  VAL  61          2HG1      VAL  61   4.525  -4.421  -3.062
  492   1HG2  VAL  61          2HG2      VAL  61   7.002  -5.750   0.105
  493   2HG2  VAL  61          1HG2      VAL  61   5.311  -6.218  -0.075
  494   3HG2  VAL  61          3HG2      VAL  61   6.535  -6.914  -1.135
  495    H    VAL  62           H        VAL  62   6.769  -2.082  -2.587
  496    HA   VAL  62           HA       VAL  62   5.785  -2.106  -5.277
  497    HB   VAL  62           HB       VAL  62   6.841   0.092  -3.480
  498   1HG1  VAL  62          3HG1      VAL  62   5.858   0.259  -6.337
  499   2HG1  VAL  62          2HG1      VAL  62   5.787   1.637  -5.238
  500   3HG1  VAL  62          1HG1      VAL  62   7.344   0.924  -5.657
  501   1HG2  VAL  62          2HG2      VAL  62   4.486  -1.226  -3.397
  502   2HG2  VAL  62          1HG2      VAL  62   4.634   0.479  -2.971
  503   3HG2  VAL  62          3HG2      VAL  62   4.073   0.016  -4.578
  504    H    GLU  63           H        GLU  63   8.993  -1.217  -3.943
  505    HA   GLU  63           HA       GLU  63  10.217  -0.590  -6.427
  506   1HB   GLU  63          2HB       GLU  63  11.150  -1.236  -3.682
  507   2HB   GLU  63          1HB       GLU  63  12.322  -1.499  -4.974
  508   1HG   GLU  63          2HG       GLU  63  12.275   0.764  -5.645
  509   2HG   GLU  63          1HG       GLU  63  10.761   1.075  -4.795
  510    H    LYS  64           H        LYS  64  10.085  -3.675  -4.614
  511    HA   LYS  64           HA       LYS  64  11.630  -5.165  -6.496
  512   1HB   LYS  64          2HB       LYS  64  10.878  -5.783  -4.064
  513   2HB   LYS  64          1HB       LYS  64   9.439  -6.418  -4.860
  514   1HG   LYS  64          2HG       LYS  64  11.939  -7.220  -6.180
  515   2HG   LYS  64          1HG       LYS  64  11.811  -7.801  -4.520
  516   1HD   LYS  64          2HD       LYS  64   9.375  -8.070  -6.213
  517   2HD   LYS  64          1HD       LYS  64  10.732  -9.126  -6.606
  518   1HE   LYS  64          2HE       LYS  64  10.813  -9.667  -4.086
  519   2HE   LYS  64          1HE       LYS  64   9.216  -8.925  -4.001
  520   1HZ   LYS  64          3HZ       LYS  64   8.540 -10.477  -5.812
  521   2HZ   LYS  64          2HZ       LYS  64  10.030 -11.272  -5.624
  522   3HZ   LYS  64          1HZ       LYS  64   8.915 -11.236  -4.343
  523    H    PHE  65           H        PHE  65   8.242  -4.248  -6.360
  524    HA   PHE  65           HA       PHE  65   7.334  -6.099  -8.400
  525   1HB   PHE  65          2HB       PHE  65   6.003  -4.776  -6.547
  526   2HB   PHE  65          1HB       PHE  65   5.956  -3.509  -7.764
  527    HD1  PHE  65           HD2      PHE  65   5.230  -4.297 -10.183
  528    HD2  PHE  65           HD1      PHE  65   4.347  -6.434  -6.564
  529    HE1  PHE  65           HE2      PHE  65   3.365  -5.459 -11.328
  530    HE2  PHE  65           HE1      PHE  65   2.485  -7.593  -7.713
  531    HZ   PHE  65           HZ       PHE  65   1.991  -7.108 -10.090
  532    H    LEU  66           H        LEU  66   8.054  -2.574  -8.384
  533    HA   LEU  66           HA       LEU  66   7.673  -2.341 -11.254
  534   1HB   LEU  66          2HB       LEU  66   8.426  -0.051 -11.001
  535   2HB   LEU  66          1HB       LEU  66   7.359  -0.437  -9.655
  536    HG   LEU  66           HG       LEU  66   9.766  -1.149  -8.595
  537   1HD1  LEU  66          2HD1      LEU  66  10.253   1.190 -10.467
  538   2HD1  LEU  66          1HD1      LEU  66  11.342   0.715  -9.164
  539   3HD1  LEU  66          3HD1      LEU  66  11.057  -0.379 -10.517
  540   1HD2  LEU  66          3HD2      LEU  66   8.033   0.324  -7.595
  541   2HD2  LEU  66          2HD2      LEU  66   9.654   0.987  -7.386
  542   3HD2  LEU  66          1HD2      LEU  66   8.584   1.646  -8.623
  543    H    LYS  67           H        LYS  67  10.513  -2.799  -9.164
  544    HA   LYS  67           HA       LYS  67  12.232  -2.835 -11.605
  545   1HB   LYS  67          2HB       LYS  67  12.616  -1.640  -9.113
  546   2HB   LYS  67          1HB       LYS  67  13.625  -3.085  -9.050
  547   1HG   LYS  67          2HG       LYS  67  13.706  -1.414 -11.533
  548   2HG   LYS  67          1HG       LYS  67  14.545  -0.821 -10.099
  549   1HD   LYS  67          2HD       LYS  67  15.753  -2.989  -9.936
  550   2HD   LYS  67          1HD       LYS  67  14.960  -3.520 -11.420
  551   1HE   LYS  67          2HE       LYS  67  15.957  -1.592 -12.624
  552   2HE   LYS  67          1HE       LYS  67  16.791  -1.117 -11.145
  553   1HZ   LYS  67          1HZ       LYS  67  17.864  -3.318 -11.139
  554   2HZ   LYS  67          3HZ       LYS  67  17.137  -3.663 -12.633
  555   3HZ   LYS  67          2HZ       LYS  67  18.264  -2.397 -12.511
  556    NH1  ARG  68           NH1      ARG  68   9.501  -6.563 -16.168
  557    NH2  ARG  68           NH2      ARG  68  10.635  -8.345 -16.991
  558    H    ARG  68           H        ARG  68  12.721  -4.811 -12.396
  559    HA   ARG  68           HA       ARG  68  13.472  -7.008 -10.626
  560   1HB   ARG  68          2HB       ARG  68  11.746  -8.586 -11.578
  561   2HB   ARG  68          1HB       ARG  68  11.090  -7.359 -10.502
  562   1HG   ARG  68          2HG       ARG  68   9.637  -6.889 -12.177
  563   2HG   ARG  68          1HG       ARG  68  11.002  -6.114 -12.980
  564   1HD   ARG  68          2HD       ARG  68  11.140  -8.964 -13.399
  565   2HD   ARG  68          1HD       ARG  68   9.543  -8.379 -13.864
  566    HE   ARG  68           HE       ARG  68  12.065  -7.186 -14.951
  567   1HH1  ARG  68          2HH1      ARG  68   9.345  -5.898 -15.438
  568   2HH1  ARG  68          1HH1      ARG  68   8.949  -6.527 -17.002
  569   1HH2  ARG  68          1HH2      ARG  68  11.344  -9.042 -16.888
  570   2HH2  ARG  68          2HH2      ARG  68  10.084  -8.313 -17.824
  571    H    ALA  69           H        ALA  69  13.779  -9.077 -12.106
  572    HA   ALA  69           HA       ALA  69  14.327  -8.607 -14.917
  573   1HB   ALA  69          3HB       ALA  69  16.641  -8.664 -12.960
  574   2HB   ALA  69          2HB       ALA  69  16.831  -8.965 -14.688
  575   3HB   ALA  69          1HB       ALA  69  16.253  -7.397 -14.125
  576    H    GLU  70           H        GLU  70  12.913 -10.558 -14.712
  577    HA   GLU  70           HA       GLU  70  14.589 -13.003 -14.487
  578   1HB   GLU  70          2HB       GLU  70  12.297 -12.280 -12.753
  579   2HB   GLU  70          1HB       GLU  70  12.247 -13.915 -13.413
  580   1HG   GLU  70          2HG       GLU  70  14.807 -12.892 -12.219
  581   2HG   GLU  70          1HG       GLU  70  13.521 -13.458 -11.153
  582    H    ASN  71           H        ASN  71  11.050 -12.606 -14.852
  583    HA   ASN  71           HA       ASN  71  11.252 -13.212 -17.739
  584   1HB   ASN  71          2HB       ASN  71  10.220 -15.116 -15.665
  585   2HB   ASN  71          1HB       ASN  71   9.411 -15.064 -17.231
  586   1HD2  ASN  71          1HD2      ASN  71  10.873 -15.388 -19.194
  587   2HD2  ASN  71          2HD2      ASN  71  12.248 -16.366 -19.018
  588    H    SER  72           H        SER  72  10.339 -10.883 -16.330
  589    HA   SER  72           HA       SER  72   8.551  -9.379 -16.329
  590   1HB   SER  72          2HB       SER  72   8.506 -10.569 -18.760
  591   2HB   SER  72          1HB       SER  72   6.919 -11.053 -18.172
  592    HG   SER  72           HG       SER  72   7.870  -8.585 -18.913
  593   1HC   CH3  25          1H        LEU  25  -0.480  -1.986 -11.327
  594   2HC   CH3  25          2H        LEU  25   1.135  -2.484 -10.825
  595   3HC   CH3  25          3H        LEU  25   0.134  -3.575 -11.779
   
  Start of MODEL          19
 Raw file had  595 H/Q atoms
  Start of MODEL   19
    1   1H    GLU   4          1H        GLU   4  -9.750  14.820 -10.075
    2   2H    GLU   4          3H        GLU   4  -8.974  16.328 -10.116
    3   3H    GLU   4          2H        GLU   4  -8.120  14.947  -9.619
    4    HA   GLU   4           HA       GLU   4  -8.600  16.036  -7.638
    5   1HB   GLU   4          2HB       GLU   4 -10.936  16.831  -7.137
    6   2HB   GLU   4          1HB       GLU   4 -10.163  17.692  -8.465
    7   1HG   GLU   4          2HG       GLU   4 -11.611  15.322  -9.387
    8   2HG   GLU   4          1HG       GLU   4 -12.663  16.462  -8.550
    9    H    LEU   5           H        LEU   5  -8.211  13.461  -7.907
   10    HA   LEU   5           HA       LEU   5 -10.585  11.966  -6.919
   11   1HB   LEU   5          2HB       LEU   5  -8.633  11.269  -8.725
   12   2HB   LEU   5          1HB       LEU   5  -8.025  10.523  -7.250
   13    HG   LEU   5           HG       LEU   5  -9.484   8.972  -8.500
   14   1HD1  LEU   5          3HD1      LEU   5  -9.392   8.926  -5.995
   15   2HD1  LEU   5          2HD1      LEU   5 -10.835   9.940  -5.965
   16   3HD1  LEU   5          1HD1      LEU   5 -10.911   8.317  -6.653
   17   1HD2  LEU   5          1HD2      LEU   5 -10.909  10.977  -9.375
   18   2HD2  LEU   5          3HD2      LEU   5 -11.722   9.449  -9.040
   19   3HD2  LEU   5          2HD2      LEU   5 -11.819  10.774  -7.879
   20    NH1  ARG   6           NH2      ARG   6 -12.308  17.469  -1.968
   21    NH2  ARG   6           NH1      ARG   6 -13.311  16.820  -0.039
   22    H    ARG   6           H        ARG   6 -10.809  12.273  -4.725
   23    HA   ARG   6           HA       ARG   6  -8.649  12.780  -2.909
   24   1HB   ARG   6          2HB       ARG   6 -11.498  11.854  -2.517
   25   2HB   ARG   6          1HB       ARG   6 -10.405  12.127  -1.168
   26   1HG   ARG   6          2HG       ARG   6  -9.998  14.454  -2.121
   27   2HG   ARG   6          1HG       ARG   6 -11.351  14.146  -3.209
   28   1HD   ARG   6          2HD       ARG   6 -12.438  13.409  -0.814
   29   2HD   ARG   6          1HD       ARG   6 -11.356  14.706  -0.306
   30    HE   ARG   6           HE       ARG   6 -13.536  15.036  -2.327
   31   1HH1  ARG   6          1HH2      ARG   6 -11.941  17.246  -2.871
   32   2HH1  ARG   6          2HH2      ARG   6 -12.277  18.413  -1.636
   33   1HH2  ARG   6          2HH1      ARG   6 -13.709  16.100   0.531
   34   2HH2  ARG   6          1HH1      ARG   6 -13.281  17.762   0.297
   35    H    CYS   7           H        CYS   7  -8.447  11.187  -0.881
   36    HA   CYS   7           HA       CYS   7  -7.149   8.825  -1.808
   37   1HB   CYS   7          2HB       CYS   7  -8.006   9.829   0.883
   38   2HB   CYS   7          1HB       CYS   7  -7.456   8.168   0.725
   39    H    GLN   8           H        GLN   8  -8.060   6.958  -2.503
   40    HA   GLN   8           HA       GLN   8 -10.924   6.469  -2.127
   41   1HB   GLN   8          2HB       GLN   8  -8.698   5.144  -3.651
   42   2HB   GLN   8          1HB       GLN   8 -10.216   4.285  -3.395
   43   1HG   GLN   8          2HG       GLN   8 -11.477   5.998  -4.505
   44   2HG   GLN   8          1HG       GLN   8 -10.086   7.086  -4.534
   45   1HE2  GLN   8          2HE2      GLN   8  -8.554   5.485  -7.333
   46   2HE2  GLN   8          1HE2      GLN   8  -8.285   6.524  -6.017
   47    H    CYS   9           H        CYS   9  -8.272   5.898  -0.148
   48    HA   CYS   9           HA       CYS   9  -9.706   3.646   1.174
   49   1HB   CYS   9          2HB       CYS   9  -6.992   3.630   0.045
   50   2HB   CYS   9          1HB       CYS   9  -7.067   3.093   1.717
   51    H    ILE  10           H        ILE  10 -10.378   4.673   3.016
   52    HA   ILE  10           HA       ILE  10  -8.792   6.705   4.372
   53    HB   ILE  10           HB       ILE  10 -11.198   5.096   5.312
   54   1HG1  ILE  10          2HG1      ILE  10 -11.161   8.008   4.524
   55   2HG1  ILE  10          1HG1      ILE  10 -11.343   6.756   3.297
   56   1HG2  ILE  10          2HG2      ILE  10  -9.712   7.437   6.522
   57   2HG2  ILE  10          1HG2      ILE  10 -11.383   7.068   6.945
   58   3HG2  ILE  10          3HG2      ILE  10 -10.110   5.894   7.278
   59   1HD1  ILE  10          3HD1      ILE  10 -13.232   5.822   4.783
   60   2HD1  ILE  10          2HD1      ILE  10 -13.167   7.371   5.624
   61   3HD1  ILE  10          1HD1      ILE  10 -13.565   7.317   3.907
   62    H    LYS  11           H        LYS  11  -9.188   3.221   4.583
   63    HA   LYS  11           HA       LYS  11  -7.121   3.131   6.749
   64   1HB   LYS  11          2HB       LYS  11  -9.707   2.067   6.810
   65   2HB   LYS  11          1HB       LYS  11  -8.696   0.685   6.392
   66   1HG   LYS  11          2HG       LYS  11  -7.504   0.779   8.387
   67   2HG   LYS  11          1HG       LYS  11  -7.817   2.501   8.613
   68   1HD   LYS  11          2HD       LYS  11 -10.010   2.131   9.384
   69   2HD   LYS  11          1HD       LYS  11 -10.080   0.512   8.688
   70   1HE   LYS  11          2HE       LYS  11  -7.981   1.029  10.747
   71   2HE   LYS  11          1HE       LYS  11  -9.650   0.902  11.301
   72   1HZ   LYS  11          2HZ       LYS  11  -9.828  -1.227  10.174
   73   2HZ   LYS  11          1HZ       LYS  11  -8.218  -1.107   9.646
   74   3HZ   LYS  11          3HZ       LYS  11  -8.558  -1.250  11.301
   75    H    THR  12           H        THR  12  -5.207   2.486   5.839
   76    HA   THR  12           HA       THR  12  -5.273   0.980   3.303
   77    HB   THR  12           HB       THR  12  -2.615   1.284   3.897
   78    HG1  THR  12           HG1      THR  12  -3.839   3.700   4.679
   79   1HG2  THR  12          2HG2      THR  12  -4.575   3.058   2.445
   80   2HG2  THR  12          1HG2      THR  12  -2.829   3.299   2.368
   81   3HG2  THR  12          3HG2      THR  12  -3.539   1.801   1.768
   82    OH   TYR  13           OH       TYR  13  -2.971  -8.695   4.260
   83    H    TYR  13           H        TYR  13  -3.115  -0.551   3.255
   84    HA   TYR  13           HA       TYR  13  -3.838  -2.760   5.059
   85   1HB   TYR  13          2HB       TYR  13  -3.393  -2.851   2.477
   86   2HB   TYR  13          1HB       TYR  13  -1.700  -2.865   2.949
   87    HD1  TYR  13           HD1      TYR  13  -4.194  -4.391   5.154
   88    HD2  TYR  13           HD2      TYR  13  -1.396  -5.072   1.970
   89    HE1  TYR  13           HE1      TYR  13  -4.305  -6.835   5.588
   90    HE2  TYR  13           HE2      TYR  13  -1.504  -7.519   2.400
   91    HH   TYR  13           HH       TYR  13  -3.858  -8.996   4.048
   92    H    SER  14           H        SER  14  -2.714  -3.146   6.892
   93    HA   SER  14           HA       SER  14  -0.019  -1.919   7.217
   94   1HB   SER  14          2HB       SER  14  -1.934  -3.138   9.231
   95   2HB   SER  14          1HB       SER  14  -0.328  -2.538   9.634
   96    HG   SER  14           HG       SER  14  -1.037  -0.555   9.468
   97    H    LYS  15           H        LYS  15  -1.669  -5.037   7.064
   98    HA   LYS  15           HA       LYS  15   0.690  -6.540   7.879
   99   1HB   LYS  15          2HB       LYS  15  -1.386  -7.893   6.254
  100   2HB   LYS  15          1HB       LYS  15  -0.584  -8.431   7.705
  101   1HG   LYS  15          2HG       LYS  15  -2.744  -6.308   7.649
  102   2HG   LYS  15          1HG       LYS  15  -3.002  -7.992   8.088
  103   1HD   LYS  15          2HD       LYS  15  -0.962  -6.259   9.498
  104   2HD   LYS  15          1HD       LYS  15  -2.638  -6.372  10.036
  105   1HE   LYS  15          2HE       LYS  15  -1.273  -8.958   9.516
  106   2HE   LYS  15          1HE       LYS  15  -0.689  -8.045  10.907
  107   1HZ   LYS  15          1HZ       LYS  15  -3.521  -8.778  10.390
  108   2HZ   LYS  15          3HZ       LYS  15  -2.497  -9.530  11.513
  109   3HZ   LYS  15          2HZ       LYS  15  -2.951  -7.908  11.732
  110    HA   PRO  16           HA       PRO  16   2.528  -6.387   3.873
  111   1HB   PRO  16          2HB       PRO  16   4.582  -8.106   4.428
  112   2HB   PRO  16          1HB       PRO  16   4.520  -6.448   5.007
  113   1HG   PRO  16          2HG       PRO  16   4.137  -8.961   6.534
  114   2HG   PRO  16          1HG       PRO  16   4.581  -7.351   7.122
  115   1HD   PRO  16          2HD       PRO  16   1.981  -8.579   7.220
  116   2HD   PRO  16          1HD       PRO  16   2.407  -6.931   7.715
  117    H    PHE  17           H        PHE  17   3.060  -7.821   2.042
  118    HA   PHE  17           HA       PHE  17   2.422 -10.649   2.145
  119   1HB   PHE  17          2HB       PHE  17   0.407 -10.713   0.882
  120   2HB   PHE  17          1HB       PHE  17   0.134  -9.518   2.141
  121    HD1  PHE  17           HD1      PHE  17   0.841  -7.014   1.440
  122    HD2  PHE  17           HD2      PHE  17  -0.187 -10.167  -1.293
  123    HE1  PHE  17           HE1      PHE  17   0.282  -5.334  -0.297
  124    HE2  PHE  17           HE2      PHE  17  -0.740  -8.485  -3.027
  125    HZ   PHE  17           HZ       PHE  17  -0.509  -6.068  -2.525
  126    H    HIS  18           H        HIS  18   2.780 -11.713   0.052
  127    HA   HIS  18           HA       HIS  18   5.000 -10.580  -1.370
  128   1HB   HIS  18          2HB       HIS  18   4.956 -12.917  -1.148
  129   2HB   HIS  18          1HB       HIS  18   3.297 -13.024  -1.721
  130    HD1  HIS  18           HD1      HIS  18   6.832 -12.749  -2.926
  131    HD2  HIS  18           HD2      HIS  18   2.993 -12.749  -4.475
  132    HE1  HIS  18           HE1      HIS  18   7.065 -13.016  -5.444
  133    HA   PRO  19           HA       PRO  19   2.947  -8.048  -4.293
  134   1HB   PRO  19          2HB       PRO  19   5.042  -7.680  -6.017
  135   2HB   PRO  19          1HB       PRO  19   4.895  -6.887  -4.440
  136   1HG   PRO  19          2HG       PRO  19   6.647  -9.167  -5.237
  137   2HG   PRO  19          1HG       PRO  19   6.904  -7.943  -3.984
  138   1HD   PRO  19          2HD       PRO  19   6.046 -10.586  -3.538
  139   2HD   PRO  19          1HD       PRO  19   5.944  -9.258  -2.369
  140    H    LYS  20           H        LYS  20   4.840 -10.683  -5.874
  141    HA   LYS  20           HA       LYS  20   3.774 -10.440  -8.434
  142   1HB   LYS  20          2HB       LYS  20   5.506 -12.152  -7.487
  143   2HB   LYS  20          1HB       LYS  20   4.091 -13.188  -7.400
  144   1HG   LYS  20          2HG       LYS  20   4.314 -11.710  -9.927
  145   2HG   LYS  20          1HG       LYS  20   5.629 -12.851  -9.646
  146   1HD   LYS  20          2HD       LYS  20   2.882 -13.826  -9.049
  147   2HD   LYS  20          1HD       LYS  20   3.281 -13.591 -10.750
  148   1HE   LYS  20          2HE       LYS  20   5.008 -15.172 -10.699
  149   2HE   LYS  20          1HE       LYS  20   5.196 -15.053  -8.950
  150   1HZ   LYS  20          3HZ       LYS  20   2.846 -16.217 -10.346
  151   2HZ   LYS  20          2HZ       LYS  20   4.092 -17.108  -9.613
  152   3HZ   LYS  20          1HZ       LYS  20   3.069 -16.137  -8.666
  153    H    PHE  21           H        PHE  21   2.077 -11.611  -5.604
  154    HA   PHE  21           HA       PHE  21  -0.047 -13.029  -6.862
  155   1HB   PHE  21          2HB       PHE  21  -0.154 -11.296  -4.415
  156   2HB   PHE  21          1HB       PHE  21  -1.347 -12.491  -4.856
  157    HD1  PHE  21           HD1      PHE  21   0.980 -14.438  -5.930
  158    HD2  PHE  21           HD2      PHE  21   0.185 -12.394  -2.234
  159    HE1  PHE  21           HE1      PHE  21   2.270 -16.157  -4.694
  160    HE2  PHE  21           HE2      PHE  21   1.475 -14.113  -1.003
  161    HZ   PHE  21           HZ       PHE  21   2.517 -15.998  -2.235
  162    H    ILE  22           H        ILE  22   0.506  -9.618  -6.209
  163    HA   ILE  22           HA       ILE  22  -2.024  -8.578  -7.048
  164    HB   ILE  22           HB       ILE  22   0.720  -7.283  -7.129
  165   1HG1  ILE  22          2HG1      ILE  22  -1.263  -6.694  -4.986
  166   2HG1  ILE  22          1HG1      ILE  22  -0.465  -8.264  -4.906
  167   1HG2  ILE  22          2HG2      ILE  22  -2.084  -6.271  -7.448
  168   2HG2  ILE  22          1HG2      ILE  22  -0.853  -5.221  -6.749
  169   3HG2  ILE  22          3HG2      ILE  22  -0.646  -5.861  -8.378
  170   1HD1  ILE  22          3HD1      ILE  22   1.613  -6.513  -5.507
  171   2HD1  ILE  22          2HD1      ILE  22   0.623  -5.606  -4.365
  172   3HD1  ILE  22          1HD1      ILE  22   1.258  -7.187  -3.916
  173    H    LYS  23           H        LYS  23  -2.865  -8.414  -9.044
  174    HA   LYS  23           HA       LYS  23  -1.169  -9.030 -11.393
  175   1HB   LYS  23          2HB       LYS  23  -3.583  -9.953 -10.894
  176   2HB   LYS  23          1HB       LYS  23  -4.109  -8.398 -11.537
  177   1HG   LYS  23          2HG       LYS  23  -2.556  -8.910 -13.538
  178   2HG   LYS  23          1HG       LYS  23  -2.539 -10.567 -12.935
  179   1HD   LYS  23          2HD       LYS  23  -4.806 -10.892 -13.360
  180   2HD   LYS  23          1HD       LYS  23  -5.174  -9.170 -13.276
  181   1HE   LYS  23          2HE       LYS  23  -3.350 -10.149 -15.446
  182   2HE   LYS  23          1HE       LYS  23  -5.087 -10.404 -15.616
  183   1HZ   LYS  23          2HZ       LYS  23  -5.372  -7.996 -15.157
  184   2HZ   LYS  23          1HZ       LYS  23  -3.684  -7.818 -15.232
  185   3HZ   LYS  23          3HZ       LYS  23  -4.543  -8.326 -16.603
  186    H    GLU  24           H        GLU  24  -2.684  -6.322  -9.791
  187    HA   GLU  24           HA       GLU  24  -1.568  -4.511 -11.871
  188   1HB   GLU  24          2HB       GLU  24  -4.454  -4.673 -11.018
  189   2HB   GLU  24          1HB       GLU  24  -3.771  -3.135 -11.547
  190   1HG   GLU  24          2HG       GLU  24  -3.245  -3.991 -13.706
  191   2HG   GLU  24          1HG       GLU  24  -3.494  -5.659 -13.189
  192    HA   LEU  25           HA       LEU  25  -1.013  -2.584  -7.834
  193   1HB   LEU  25          2HB       LEU  25   0.951  -3.923  -7.578
  194   2HB   LEU  25          1HB       LEU  25   1.767  -3.110  -8.911
  195    HG   LEU  25           HG       LEU  25   0.885  -1.247  -6.825
  196   1HD1  LEU  25          3HD1      LEU  25   1.685  -3.603  -5.749
  197   2HD1  LEU  25          2HD1      LEU  25   3.242  -2.795  -5.933
  198   3HD1  LEU  25          1HD1      LEU  25   1.961  -2.037  -4.987
  199   1HD2  LEU  25          3HD2      LEU  25   3.050  -1.644  -8.720
  200   2HD2  LEU  25          2HD2      LEU  25   2.514  -0.155  -7.941
  201   3HD2  LEU  25          1HD2      LEU  25   3.681  -1.201  -7.133
  202    NH1  ARG  26           NH1      ARG  26  -4.357   2.814 -12.860
  203    NH2  ARG  26           NH2      ARG  26  -6.444   3.295 -12.118
  204    H    ARG  26           H        ARG  26  -1.863  -0.525  -8.151
  205    HA   ARG  26           HA       ARG  26  -0.066   1.376  -9.577
  206   1HB   ARG  26          2HB       ARG  26  -2.213   2.685 -10.084
  207   2HB   ARG  26          1HB       ARG  26  -1.998   1.176 -10.966
  208   1HG   ARG  26          2HG       ARG  26  -3.712   0.123  -9.857
  209   2HG   ARG  26          1HG       ARG  26  -3.415   0.994  -8.354
  210   1HD   ARG  26          2HD       ARG  26  -5.375   2.027  -9.002
  211   2HD   ARG  26          1HD       ARG  26  -4.214   3.072  -9.821
  212    HE   ARG  26           HE       ARG  26  -5.513   0.783 -11.245
  213   1HH1  ARG  26          2HH1      ARG  26  -3.513   2.284 -12.785
  214   2HH1  ARG  26          1HH1      ARG  26  -4.451   3.504 -13.578
  215   1HH2  ARG  26          1HH2      ARG  26  -7.193   3.131 -11.476
  216   2HH2  ARG  26          2HH2      ARG  26  -6.542   3.985 -12.835
  217    H    VAL  27           H        VAL  27   0.568   3.135  -8.379
  218    HA   VAL  27           HA       VAL  27  -0.713   3.516  -5.717
  219    HB   VAL  27           HB       VAL  27   1.399   4.806  -5.223
  220   1HG1  VAL  27          2HG1      VAL  27   1.696   1.919  -6.086
  221   2HG1  VAL  27          1HG1      VAL  27   2.808   2.774  -5.017
  222   3HG1  VAL  27          3HG1      VAL  27   1.146   2.481  -4.509
  223   1HG2  VAL  27          3HG2      VAL  27   1.867   5.145  -7.742
  224   2HG2  VAL  27          2HG2      VAL  27   3.242   4.760  -6.707
  225   3HG2  VAL  27          1HG2      VAL  27   2.512   3.504  -7.706
  226    H    ILE  28           H        ILE  28  -1.276   5.679  -5.037
  227    HA   ILE  28           HA       ILE  28  -1.691   7.551  -7.335
  228    HB   ILE  28           HB       ILE  28  -3.147   7.327  -4.679
  229   1HG1  ILE  28          2HG1      ILE  28  -4.093   6.884  -7.533
  230   2HG1  ILE  28          1HG1      ILE  28  -3.684   5.595  -6.402
  231   1HG2  ILE  28          2HG2      ILE  28  -3.421   9.299  -6.969
  232   2HG2  ILE  28          1HG2      ILE  28  -4.659   9.074  -5.733
  233   3HG2  ILE  28          3HG2      ILE  28  -3.059   9.663  -5.281
  234   1HD1  ILE  28          1HD1      ILE  28  -5.421   6.485  -4.834
  235   2HD1  ILE  28          3HD1      ILE  28  -5.879   7.660  -6.066
  236   3HD1  ILE  28          2HD1      ILE  28  -6.096   5.936  -6.368
  237    H    GLU  29           H        GLU  29  -0.611   9.464  -7.310
  238    HA   GLU  29           HA       GLU  29   1.366  10.009  -5.276
  239   1HB   GLU  29          2HB       GLU  29   0.344  11.450  -7.704
  240   2HB   GLU  29          1HB       GLU  29   1.389  12.296  -6.569
  241   1HG   GLU  29          2HG       GLU  29   2.879  10.130  -6.776
  242   2HG   GLU  29          1HG       GLU  29   2.006   9.919  -8.294
  243    H    SER  30           H        SER  30   1.359  12.496  -4.466
  244    HA   SER  30           HA       SER  30  -1.214  12.811  -2.992
  245   1HB   SER  30          2HB       SER  30   0.402  14.500  -1.698
  246   2HB   SER  30          1HB       SER  30   0.378  12.780  -1.330
  247    HG   SER  30           HG       SER  30   2.286  14.325  -2.638
  248    H    GLY  31           H        GLY  31  -1.977  15.038  -2.641
  249   1HA   GLY  31          2HA       GLY  31  -1.030  17.303  -4.094
  250   2HA   GLY  31          1HA       GLY  31  -2.279  16.512  -5.048
  251    HA   PRO  32           HA       PRO  32  -4.608  19.236  -2.187
  252   1HB   PRO  32          2HB       PRO  32  -6.500  19.907  -4.079
  253   2HB   PRO  32          1HB       PRO  32  -4.985  20.798  -3.850
  254   1HG   PRO  32          2HG       PRO  32  -5.724  18.863  -6.007
  255   2HG   PRO  32          1HG       PRO  32  -4.608  20.238  -6.066
  256   1HD   PRO  32          2HD       PRO  32  -3.839  17.546  -5.843
  257   2HD   PRO  32          1HD       PRO  32  -2.807  18.940  -5.461
  258    H    HIS  33           H        HIS  33  -5.616  16.797  -4.513
  259    HA   HIS  33           HA       HIS  33  -8.159  16.085  -3.449
  260   1HB   HIS  33          2HB       HIS  33  -7.792  13.933  -4.653
  261   2HB   HIS  33          1HB       HIS  33  -7.386  15.316  -5.662
  262    HD1  HIS  33           HD1      HIS  33  -4.797  15.834  -5.987
  263    HD2  HIS  33           HD2      HIS  33  -5.613  12.229  -4.060
  264    HE1  HIS  33           HE1      HIS  33  -2.611  14.570  -5.895
  265    H    CYS  34           H        CYS  34  -4.871  15.066  -2.614
  266    HA   CYS  34           HA       CYS  34  -5.658  14.290   0.039
  267   1HB   CYS  34          2HB       CYS  34  -6.059  12.260  -1.740
  268   2HB   CYS  34          1HB       CYS  34  -4.374  11.981  -1.305
  269    H    ALA  35           H        ALA  35  -3.983  15.219   1.112
  270    HA   ALA  35           HA       ALA  35  -1.418  15.741  -0.074
  271   1HB   ALA  35          1HB       ALA  35  -2.299  15.738   2.826
  272   2HB   ALA  35          3HB       ALA  35  -0.742  16.343   2.262
  273   3HB   ALA  35          2HB       ALA  35  -2.233  17.129   1.743
  274    H    ASN  36           H        ASN  36  -2.660  12.980   1.710
  275    HA   ASN  36           HA       ASN  36   0.051  11.902   2.156
  276   1HB   ASN  36          2HB       ASN  36  -2.737  11.027   2.906
  277   2HB   ASN  36          1HB       ASN  36  -1.361   9.943   3.083
  278   1HD2  ASN  36          2HD2      ASN  36   0.112  11.838   5.757
  279   2HD2  ASN  36          1HD2      ASN  36   0.476  10.759   4.499
  280    H    THR  37           H        THR  37   1.020  10.551   0.729
  281    HA   THR  37           HA       THR  37  -0.337   9.726  -1.721
  282    HB   THR  37           HB       THR  37   2.364   8.852  -0.636
  283    HG1  THR  37           HG1      THR  37   2.900  10.823  -1.038
  284   1HG2  THR  37          2HG2      THR  37   1.162   7.618  -2.610
  285   2HG2  THR  37          1HG2      THR  37   1.594   9.058  -3.535
  286   3HG2  THR  37          3HG2      THR  37   2.854   8.079  -2.786
  287    H    GLU  38           H        GLU  38  -1.311   7.732  -2.105
  288    HA   GLU  38           HA       GLU  38  -1.014   5.656   0.019
  289   1HB   GLU  38          2HB       GLU  38  -3.396   5.038  -0.636
  290   2HB   GLU  38          1HB       GLU  38  -3.213   6.530   0.274
  291   1HG   GLU  38          2HG       GLU  38  -3.943   7.801  -1.461
  292   2HG   GLU  38          1HG       GLU  38  -3.022   6.875  -2.646
  293    H    ILE  39           H        ILE  39  -1.182   3.446  -0.722
  294    HA   ILE  39           HA       ILE  39  -0.424   3.142  -3.596
  295    HB   ILE  39           HB       ILE  39   0.019   1.422  -1.140
  296   1HG1  ILE  39          2HG1      ILE  39   2.413   1.833  -2.502
  297   2HG1  ILE  39          1HG1      ILE  39   1.573   3.373  -2.673
  298   1HG2  ILE  39          2HG2      ILE  39   0.538   0.783  -4.055
  299   2HG2  ILE  39          1HG2      ILE  39   1.307  -0.078  -2.723
  300   3HG2  ILE  39          3HG2      ILE  39  -0.445  -0.136  -2.916
  301   1HD1  ILE  39          1HD1      ILE  39   1.471   2.151   0.028
  302   2HD1  ILE  39          3HD1      ILE  39   3.055   2.722  -0.496
  303   3HD1  ILE  39          2HD1      ILE  39   1.691   3.837  -0.439
  304    H    ILE  40           H        ILE  40  -1.354   1.218  -4.737
  305    HA   ILE  40           HA       ILE  40  -3.824   0.075  -3.577
  306    HB   ILE  40           HB       ILE  40  -3.896   1.412  -6.300
  307   1HG1  ILE  40          2HG1      ILE  40  -5.259   2.356  -3.762
  308   2HG1  ILE  40          1HG1      ILE  40  -3.729   3.020  -4.332
  309   1HG2  ILE  40          1HG2      ILE  40  -5.978   0.089  -4.533
  310   2HG2  ILE  40          3HG2      ILE  40  -6.370   1.019  -5.980
  311   3HG2  ILE  40          2HG2      ILE  40  -5.420  -0.461  -6.113
  312   1HD1  ILE  40          3HD1      ILE  40  -6.224   2.921  -6.041
  313   2HD1  ILE  40          2HD1      ILE  40  -5.780   4.317  -5.061
  314   3HD1  ILE  40          1HD1      ILE  40  -4.729   3.794  -6.377
  315    H    VAL  41           H        VAL  41  -4.098  -2.017  -4.274
  316    HA   VAL  41           HA       VAL  41  -2.604  -2.931  -6.657
  317    HB   VAL  41           HB       VAL  41  -1.923  -4.942  -5.355
  318   1HG1  VAL  41          2HG1      VAL  41  -0.464  -2.892  -5.716
  319   2HG1  VAL  41          1HG1      VAL  41  -0.892  -2.415  -4.074
  320   3HG1  VAL  41          3HG1      VAL  41  -0.011  -3.916  -4.354
  321   1HG2  VAL  41          3HG2      VAL  41  -3.752  -4.282  -3.532
  322   2HG2  VAL  41          2HG2      VAL  41  -2.309  -5.198  -3.097
  323   3HG2  VAL  41          1HG2      VAL  41  -2.367  -3.459  -2.812
  324    H    LYS  42           H        LYS  42  -3.413  -5.109  -7.362
  325    HA   LYS  42           HA       LYS  42  -6.200  -5.654  -6.456
  326   1HB   LYS  42          2HB       LYS  42  -5.362  -4.690  -9.036
  327   2HB   LYS  42          1HB       LYS  42  -5.985  -6.329  -9.219
  328   1HG   LYS  42          2HG       LYS  42  -7.952  -5.526  -7.733
  329   2HG   LYS  42          1HG       LYS  42  -7.393  -3.899  -8.124
  330   1HD   LYS  42          2HD       LYS  42  -7.631  -4.345 -10.510
  331   2HD   LYS  42          1HD       LYS  42  -8.070  -6.021 -10.182
  332   1HE   LYS  42          2HE       LYS  42  -9.661  -3.789  -8.943
  333   2HE   LYS  42          1HE       LYS  42  -9.969  -4.267 -10.612
  334   1HZ   LYS  42          1HZ       LYS  42 -10.274  -6.557  -9.832
  335   2HZ   LYS  42          3HZ       LYS  42 -10.057  -6.042  -8.230
  336   3HZ   LYS  42          2HZ       LYS  42 -11.391  -5.490  -9.126
  337    H    LEU  43           H        LEU  43  -5.690  -7.536  -5.333
  338    HA   LEU  43           HA       LEU  43  -3.780  -9.485  -6.017
  339   1HB   LEU  43          2HB       LEU  43  -6.361  -9.620  -4.483
  340   2HB   LEU  43          1HB       LEU  43  -5.370 -11.047  -4.709
  341    HG   LEU  43           HG       LEU  43  -4.308  -8.448  -3.569
  342   1HD1  LEU  43          3HD1      LEU  43  -6.036  -9.416  -2.081
  343   2HD1  LEU  43          2HD1      LEU  43  -5.182 -10.960  -2.105
  344   3HD1  LEU  43          1HD1      LEU  43  -4.427  -9.545  -1.369
  345   1HD2  LEU  43          3HD2      LEU  43  -3.224 -11.240  -3.950
  346   2HD2  LEU  43          2HD2      LEU  43  -2.486  -9.700  -4.393
  347   3HD2  LEU  43          1HD2      LEU  43  -2.567 -10.184  -2.699
  348    H    SER  44           H        SER  44  -3.857 -11.373  -7.210
  349    HA   SER  44           HA       SER  44  -5.349 -11.443  -9.599
  350   1HB   SER  44          2HB       SER  44  -3.706 -13.462  -8.115
  351   2HB   SER  44          1HB       SER  44  -4.642 -13.973  -9.518
  352    HG   SER  44           HG       SER  44  -2.307 -12.861  -9.553
  353    H    ASP  45           H        ASP  45  -6.217 -12.591  -6.411
  354    HA   ASP  45           HA       ASP  45  -8.256 -14.433  -7.265
  355   1HB   ASP  45          2HB       ASP  45  -7.785 -13.021  -4.631
  356   2HB   ASP  45          1HB       ASP  45  -9.030 -14.244  -4.877
  357    H    GLY  46           H        GLY  46  -8.121 -11.096  -7.556
  358   1HA   GLY  46          2HA       GLY  46  -9.896  -9.770  -8.477
  359   2HA   GLY  46          1HA       GLY  46 -11.061 -10.929  -7.837
  360    NH1  ARG  47           NH2      ARG  47 -12.962  -7.589  -0.181
  361    NH2  ARG  47           NH1      ARG  47 -12.799  -9.735   0.533
  362    H    ARG  47           H        ARG  47  -8.379  -9.559  -5.969
  363    HA   ARG  47           HA       ARG  47 -10.425  -8.273  -4.195
  364   1HB   ARG  47          2HB       ARG  47  -8.858 -10.175  -3.366
  365   2HB   ARG  47          1HB       ARG  47  -7.597  -8.947  -3.399
  366   1HG   ARG  47          2HG       ARG  47  -8.478  -8.938  -1.172
  367   2HG   ARG  47          1HG       ARG  47  -9.137  -7.507  -1.961
  368   1HD   ARG  47          2HD       ARG  47 -11.238  -8.658  -2.400
  369   2HD   ARG  47          1HD       ARG  47 -10.583 -10.162  -1.755
  370    HE   ARG  47           HE       ARG  47 -10.304  -8.419   0.359
  371   1HH1  ARG  47          1HH2      ARG  47 -12.540  -6.773  -0.575
  372   2HH1  ARG  47          2HH2      ARG  47 -13.932  -7.581   0.064
  373   1HH2  ARG  47          2HH1      ARG  47 -12.252 -10.559   0.686
  374   2HH2  ARG  47          1HH1      ARG  47 -13.769  -9.728   0.778
  375    H    GLU  48           H        GLU  48  -9.754  -6.224  -3.163
  376    HA   GLU  48           HA       GLU  48  -7.672  -4.724  -4.693
  377   1HB   GLU  48          2HB       GLU  48 -10.238  -4.246  -5.222
  378   2HB   GLU  48          1HB       GLU  48 -10.132  -3.297  -3.740
  379   1HG   GLU  48          2HG       GLU  48  -7.805  -2.738  -5.307
  380   2HG   GLU  48          1HG       GLU  48  -9.215  -2.591  -6.356
  381    H    LEU  49           H        LEU  49  -6.129  -4.276  -3.196
  382    HA   LEU  49           HA       LEU  49  -7.039  -3.386  -0.481
  383   1HB   LEU  49          2HB       LEU  49  -5.321  -5.614  -1.215
  384   2HB   LEU  49          1HB       LEU  49  -4.464  -4.458  -0.198
  385    HG   LEU  49           HG       LEU  49  -6.647  -4.531   1.259
  386   1HD1  LEU  49          1HD1      LEU  49  -7.803  -5.969  -0.511
  387   2HD1  LEU  49          3HD1      LEU  49  -6.747  -7.283   0.007
  388   3HD1  LEU  49          2HD1      LEU  49  -7.890  -6.570   1.145
  389   1HD2  LEU  49          2HD2      LEU  49  -4.288  -5.404   1.769
  390   2HD2  LEU  49          1HD2      LEU  49  -5.607  -6.185   2.639
  391   3HD2  LEU  49          3HD2      LEU  49  -4.871  -6.985   1.250
  392    H    CYS  50           H        CYS  50  -6.320  -1.364  -0.027
  393    HA   CYS  50           HA       CYS  50  -4.187  -0.172  -1.664
  394   1HB   CYS  50          2HB       CYS  50  -5.463   1.163   0.652
  395   2HB   CYS  50          1HB       CYS  50  -4.822   1.885  -0.796
  396    H    LEU  51           H        LEU  51  -2.134   0.238  -0.841
  397    HA   LEU  51           HA       LEU  51  -1.533  -1.084   1.714
  398   1HB   LEU  51          2HB       LEU  51   0.380  -0.108  -0.389
  399   2HB   LEU  51          1HB       LEU  51   0.753  -1.131   0.974
  400    HG   LEU  51           HG       LEU  51  -0.731  -1.821  -1.536
  401   1HD1  LEU  51          2HD1      LEU  51   1.730  -2.336  -1.000
  402   2HD1  LEU  51          1HD1      LEU  51   1.105  -3.502   0.166
  403   3HD1  LEU  51          3HD1      LEU  51   0.733  -3.685  -1.547
  404   1HD2  LEU  51          1HD2      LEU  51  -1.239  -2.937   1.217
  405   2HD2  LEU  51          3HD2      LEU  51  -2.398  -2.579  -0.062
  406   3HD2  LEU  51          2HD2      LEU  51  -1.354  -3.993  -0.189
  407    H    ASP  52           H        ASP  52  -0.130  -0.159   3.222
  408    HA   ASP  52           HA       ASP  52  -0.386   2.793   3.445
  409   1HB   ASP  52          2HB       ASP  52  -1.127   1.016   5.254
  410   2HB   ASP  52          1HB       ASP  52   0.588   0.997   5.652
  411    HA   PRO  53           HA       PRO  53   3.970   2.818   2.388
  412   1HB   PRO  53          2HB       PRO  53   4.206   5.566   2.433
  413   2HB   PRO  53          1HB       PRO  53   3.582   4.642   1.055
  414   1HG   PRO  53          2HG       PRO  53   2.077   6.254   3.075
  415   2HG   PRO  53          1HG       PRO  53   1.686   5.929   1.378
  416   1HD   PRO  53          2HD       PRO  53   0.499   4.645   3.562
  417   2HD   PRO  53          1HD       PRO  53   0.502   4.024   1.898
  418    H    LYS  54           H        LYS  54   2.462   3.706   5.320
  419    HA   LYS  54           HA       LYS  54   4.590   4.930   6.737
  420   1HB   LYS  54          2HB       LYS  54   2.090   3.494   7.451
  421   2HB   LYS  54          1HB       LYS  54   3.331   3.569   8.700
  422   1HG   LYS  54          2HG       LYS  54   3.399   5.988   8.578
  423   2HG   LYS  54          1HG       LYS  54   2.320   5.990   7.182
  424   1HD   LYS  54          2HD       LYS  54   0.535   4.976   8.572
  425   2HD   LYS  54          1HD       LYS  54   1.611   5.021   9.969
  426   1HE   LYS  54          2HE       LYS  54   1.052   7.536   8.410
  427   2HE   LYS  54          1HE       LYS  54  -0.090   6.976   9.631
  428   1HZ   LYS  54          2HZ       LYS  54   1.771   6.913  11.225
  429   2HZ   LYS  54          1HZ       LYS  54   2.786   7.593  10.043
  430   3HZ   LYS  54          3HZ       LYS  54   1.464   8.475  10.633
  431    H    GLU  55           H        GLU  55   3.975   1.565   5.859
  432    HA   GLU  55           HA       GLU  55   6.058   0.563   7.683
  433   1HB   GLU  55          2HB       GLU  55   4.207  -0.694   5.673
  434   2HB   GLU  55          1HB       GLU  55   5.579  -1.587   6.286
  435   1HG   GLU  55          2HG       GLU  55   4.255  -0.352   8.494
  436   2HG   GLU  55          1HG       GLU  55   3.058  -1.218   7.539
  437    H    ASN  56           H        ASN  56   7.731  -0.907   6.620
  438    HA   ASN  56           HA       ASN  56   8.995   0.571   4.383
  439   1HB   ASN  56          2HB       ASN  56   9.962  -0.775   6.712
  440   2HB   ASN  56          1HB       ASN  56  10.697  -1.470   5.273
  441   1HD2  ASN  56          2HD2      ASN  56  12.761   1.332   4.703
  442   2HD2  ASN  56          1HD2      ASN  56  12.375  -0.271   4.300
  443    CH2  TRP  57           CH2      TRP  57   1.585  -4.446   2.443
  444    H    TRP  57           H        TRP  57   7.267  -2.317   5.025
  445    HA   TRP  57           HA       TRP  57   8.414  -3.859   2.874
  446   1HB   TRP  57          2HB       TRP  57   6.821  -5.529   3.449
  447   2HB   TRP  57          1HB       TRP  57   7.345  -4.823   4.952
  448    HD1  TRP  57           HD1      TRP  57   5.590  -3.709   6.411
  449    HE1  TRP  57           HE1      TRP  57   3.042  -3.485   6.283
  450    HE3  TRP  57           HE3      TRP  57   4.819  -5.101   1.581
  451    HZ2  TRP  57           HZ2      TRP  57   0.936  -3.783   4.388
  452    HZ3  TRP  57           HZ3      TRP  57   2.537  -5.096   0.630
  453    HH2  TRP  57           HH2      TRP  57   0.592  -4.448   2.021
  454    H    VAL  58           H        VAL  58   5.585  -1.786   3.319
  455    HA   VAL  58           HA       VAL  58   4.327  -2.423   0.808
  456    HB   VAL  58           HB       VAL  58   4.181  -0.114   2.723
  457   1HG1  VAL  58          2HG1      VAL  58   3.060  -0.215  -0.069
  458   2HG1  VAL  58          1HG1      VAL  58   2.246   0.696   1.202
  459   3HG1  VAL  58          3HG1      VAL  58   3.894   1.116   0.735
  460   1HG2  VAL  58          3HG2      VAL  58   2.366  -2.301   1.769
  461   2HG2  VAL  58          2HG2      VAL  58   2.867  -1.920   3.413
  462   3HG2  VAL  58          1HG2      VAL  58   1.715  -0.881   2.582
  463    H    GLN  59           H        GLN  59   6.695   0.090   1.728
  464    HA   GLN  59           HA       GLN  59   6.848   1.183  -0.944
  465   1HB   GLN  59          2HB       GLN  59   8.680   2.511  -0.087
  466   2HB   GLN  59          1HB       GLN  59   7.378   2.495   1.097
  467   1HG   GLN  59          2HG       GLN  59   8.525   0.610   2.247
  468   2HG   GLN  59          1HG       GLN  59   9.865   0.790   1.124
  469   1HE2  GLN  59          2HE2      GLN  59   9.338   3.575   4.090
  470   2HE2  GLN  59          1HE2      GLN  59   8.097   2.472   3.739
  471    NH1  ARG  60           NH1      ARG  60   9.515  -5.957   1.693
  472    NH2  ARG  60           NH2      ARG  60  11.029  -6.046   3.379
  473    H    ARG  60           H        ARG  60   8.479  -1.395   0.766
  474    HA   ARG  60           HA       ARG  60  10.644  -1.644  -1.196
  475   1HB   ARG  60          2HB       ARG  60  10.608  -2.394   1.314
  476   2HB   ARG  60          1HB       ARG  60   9.784  -3.823   0.698
  477   1HG   ARG  60          2HG       ARG  60  11.648  -4.251  -0.849
  478   2HG   ARG  60          1HG       ARG  60  12.474  -2.805  -0.264
  479   1HD   ARG  60          2HD       ARG  60  13.463  -4.569   0.966
  480   2HD   ARG  60          1HD       ARG  60  12.284  -3.878   2.080
  481    HE   ARG  60           HE       ARG  60  12.002  -6.474   0.661
  482   1HH1  ARG  60          2HH1      ARG  60   9.307  -5.855   0.720
  483   2HH1  ARG  60          1HH1      ARG  60   8.773  -6.093   2.350
  484   1HH2  ARG  60          1HH2      ARG  60  11.978  -6.010   3.695
  485   2HH2  ARG  60          2HH2      ARG  60  10.290  -6.182   4.039
  486    H    VAL  61           H        VAL  61   7.598  -3.269  -0.407
  487    HA   VAL  61           HA       VAL  61   7.700  -5.310  -2.405
  488    HB   VAL  61           HB       VAL  61   5.461  -3.937  -0.911
  489   1HG1  VAL  61          3HG1      VAL  61   5.267  -5.918  -3.164
  490   2HG1  VAL  61          2HG1      VAL  61   4.053  -5.892  -1.887
  491   3HG1  VAL  61          1HG1      VAL  61   4.311  -4.463  -2.888
  492   1HG2  VAL  61          1HG2      VAL  61   6.544  -6.770  -0.921
  493   2HG2  VAL  61          3HG2      VAL  61   6.878  -5.545   0.303
  494   3HG2  VAL  61          2HG2      VAL  61   5.243  -6.176   0.109
  495    H    VAL  62           H        VAL  62   6.437  -1.985  -2.463
  496    HA   VAL  62           HA       VAL  62   5.376  -2.106  -5.134
  497    HB   VAL  62           HB       VAL  62   6.285   0.197  -3.385
  498   1HG1  VAL  62          3HG1      VAL  62   5.096   0.222  -6.171
  499   2HG1  VAL  62          2HG1      VAL  62   4.990   1.605  -5.082
  500   3HG1  VAL  62          1HG1      VAL  62   6.566   1.021  -5.614
  501   1HG2  VAL  62          3HG2      VAL  62   4.142  -1.309  -3.020
  502   2HG2  VAL  62          2HG2      VAL  62   4.028   0.443  -2.850
  503   3HG2  VAL  62          1HG2      VAL  62   3.486  -0.338  -4.337
  504    H    GLU  63           H        GLU  63   8.577  -1.205  -3.834
  505    HA   GLU  63           HA       GLU  63   9.688  -0.360  -6.329
  506   1HB   GLU  63          2HB       GLU  63  10.630  -0.788  -3.622
  507   2HB   GLU  63          1HB       GLU  63  11.789  -1.429  -4.786
  508   1HG   GLU  63          2HG       GLU  63  10.584   1.299  -5.199
  509   2HG   GLU  63          1HG       GLU  63  11.955   1.089  -4.109
  510    H    LYS  64           H        LYS  64   9.790  -3.511  -4.627
  511    HA   LYS  64           HA       LYS  64  11.355  -4.876  -6.555
  512   1HB   LYS  64          2HB       LYS  64  10.668  -5.670  -4.221
  513   2HB   LYS  64          1HB       LYS  64   9.136  -6.149  -4.950
  514   1HG   LYS  64          2HG       LYS  64  10.052  -7.987  -5.887
  515   2HG   LYS  64          1HG       LYS  64  11.418  -7.069  -6.520
  516   1HD   LYS  64          2HD       LYS  64  12.383  -8.600  -4.985
  517   2HD   LYS  64          1HD       LYS  64  12.318  -7.071  -4.109
  518   1HE   LYS  64          2HE       LYS  64  10.761  -7.835  -2.632
  519   2HE   LYS  64          1HE       LYS  64   9.887  -8.736  -3.871
  520   1HZ   LYS  64          1HZ       LYS  64  12.465  -9.566  -2.652
  521   2HZ   LYS  64          3HZ       LYS  64  10.945 -10.197  -2.245
  522   3HZ   LYS  64          2HZ       LYS  64  11.574 -10.441  -3.803
  523    H    PHE  65           H        PHE  65   7.888  -4.184  -6.433
  524    HA   PHE  65           HA       PHE  65   7.218  -5.896  -8.689
  525   1HB   PHE  65          2HB       PHE  65   5.733  -4.961  -6.722
  526   2HB   PHE  65          1HB       PHE  65   5.543  -3.574  -7.782
  527    HD1  PHE  65           HD1      PHE  65   6.032  -6.124 -10.049
  528    HD2  PHE  65           HD2      PHE  65   3.108  -4.808  -7.186
  529    HE1  PHE  65           HE1      PHE  65   4.266  -7.332 -11.292
  530    HE2  PHE  65           HE2      PHE  65   1.347  -6.017  -8.433
  531    HZ   PHE  65           HZ       PHE  65   1.922  -7.279 -10.490
  532    H    LEU  66           H        LEU  66   7.677  -2.387  -8.211
  533    HA   LEU  66           HA       LEU  66   7.181  -1.706 -10.980
  534   1HB   LEU  66          2HB       LEU  66   7.972  -0.302  -8.527
  535   2HB   LEU  66          1HB       LEU  66   8.738   0.351  -9.974
  536    HG   LEU  66           HG       LEU  66   5.808  -0.269 -10.070
  537   1HD1  LEU  66          3HD1      LEU  66   6.245   1.023  -7.942
  538   2HD1  LEU  66          2HD1      LEU  66   6.925   2.311  -8.937
  539   3HD1  LEU  66          1HD1      LEU  66   5.227   1.868  -9.108
  540   1HD2  LEU  66          2HD2      LEU  66   7.346   0.554 -11.999
  541   2HD2  LEU  66          1HD2      LEU  66   5.803   1.376 -11.766
  542   3HD2  LEU  66          3HD2      LEU  66   7.293   2.115 -11.179
  543    H    LYS  67           H        LYS  67  10.090  -2.551  -9.139
  544    HA   LYS  67           HA       LYS  67  12.027  -1.699 -11.067
  545   1HB   LYS  67          2HB       LYS  67  12.412  -2.467  -8.641
  546   2HB   LYS  67          1HB       LYS  67  12.368  -4.109  -9.279
  547   1HG   LYS  67          2HG       LYS  67  14.653  -3.615  -9.383
  548   2HG   LYS  67          1HG       LYS  67  14.118  -3.199 -11.011
  549   1HD   LYS  67          2HD       LYS  67  15.374  -1.315 -10.379
  550   2HD   LYS  67          1HD       LYS  67  13.720  -0.819 -10.026
  551   1HE   LYS  67          2HE       LYS  67  14.779  -0.243  -8.037
  552   2HE   LYS  67          1HE       LYS  67  14.238  -1.878  -7.658
  553   1HZ   LYS  67          2HZ       LYS  67  16.920  -1.210  -8.745
  554   2HZ   LYS  67          1HZ       LYS  67  16.590  -1.460  -7.097
  555   3HZ   LYS  67          3HZ       LYS  67  16.391  -2.730  -8.201
  556    NH1  ARG  68           NH1      ARG  68  11.546 -11.044 -11.773
  557    NH2  ARG  68           NH2      ARG  68  12.479 -11.634  -9.792
  558    H    ARG  68           H        ARG  68  10.706  -5.017 -10.532
  559    HA   ARG  68           HA       ARG  68  11.333  -5.560 -13.413
  560   1HB   ARG  68          2HB       ARG  68  11.308  -8.069 -12.332
  561   2HB   ARG  68          1HB       ARG  68  12.768  -7.124 -12.603
  562   1HG   ARG  68          2HG       ARG  68  12.789  -6.356 -10.321
  563   2HG   ARG  68          1HG       ARG  68  11.179  -7.012 -10.025
  564   1HD   ARG  68          2HD       ARG  68  13.473  -8.785 -10.868
  565   2HD   ARG  68          1HD       ARG  68  13.184  -8.390  -9.174
  566    HE   ARG  68           HE       ARG  68  10.789  -9.329  -9.691
  567   1HH1  ARG  68          2HH1      ARG  68  11.101 -10.360 -12.351
  568   2HH1  ARG  68          1HH1      ARG  68  11.724 -11.961 -12.131
  569   1HH2  ARG  68          1HH2      ARG  68  12.746 -11.401  -8.856
  570   2HH2  ARG  68          2HH2      ARG  68  12.657 -12.552 -10.148
  571    H    ALA  69           H        ALA  69   9.834  -6.794 -14.571
  572    HA   ALA  69           HA       ALA  69   7.718  -7.579 -15.173
  573   1HB   ALA  69          2HB       ALA  69   8.252  -9.132 -13.194
  574   2HB   ALA  69          1HB       ALA  69   7.203  -8.085 -12.237
  575   3HB   ALA  69          3HB       ALA  69   6.551  -8.954 -13.627
  576    H    GLU  70           H        GLU  70   7.099  -5.395 -15.750
  577    HA   GLU  70           HA       GLU  70   5.424  -3.974 -13.728
  578   1HB   GLU  70          2HB       GLU  70   6.826  -3.088 -16.250
  579   2HB   GLU  70          1HB       GLU  70   5.520  -2.127 -15.556
  580   1HG   GLU  70          2HG       GLU  70   7.227  -1.179 -14.366
  581   2HG   GLU  70          1HG       GLU  70   6.984  -2.580 -13.323
  582    H    ASN  71           H        ASN  71   5.339  -4.584 -17.267
  583    HA   ASN  71           HA       ASN  71   2.376  -4.533 -17.161
  584   1HB   ASN  71          2HB       ASN  71   4.448  -4.298 -19.302
  585   2HB   ASN  71          1HB       ASN  71   2.878  -4.961 -19.760
  586   1HD2  ASN  71          2HD2      ASN  71   1.227  -1.843 -19.567
  587   2HD2  ASN  71          1HD2      ASN  71   1.106  -3.500 -19.917
  588    H    SER  72           H        SER  72   4.982  -6.701 -18.337
  589    HA   SER  72           HA       SER  72   3.055  -8.937 -18.508
  590   1HB   SER  72          2HB       SER  72   5.978  -8.647 -19.231
  591   2HB   SER  72          1HB       SER  72   5.145 -10.199 -19.278
  592    HG   SER  72           HG       SER  72   5.202  -8.775 -21.255
  593   1HC   CH3  25          1H        LEU  25   0.931  -2.485 -10.874
  594   2HC   CH3  25          2H        LEU  25  -0.111  -3.536 -11.826
  595   3HC   CH3  25          3H        LEU  25  -0.661  -1.922 -11.381
   
  Start of MODEL          20
 Raw file had  595 H/Q atoms
  Start of MODEL   20
    1   1H    GLU   4          3H        GLU   4 -15.240  14.958  -3.807
    2   2H    GLU   4          2H        GLU   4 -15.084  14.464  -5.425
    3   3H    GLU   4          1H        GLU   4 -16.471  14.049  -4.536
    4    HA   GLU   4           HA       GLU   4 -15.166  12.657  -3.067
    5   1HB   GLU   4          2HB       GLU   4 -16.119  11.847  -5.317
    6   2HB   GLU   4          1HB       GLU   4 -14.469  11.961  -5.927
    7   1HG   GLU   4          2HG       GLU   4 -14.650   9.716  -5.201
    8   2HG   GLU   4          1HG       GLU   4 -13.816  10.524  -3.874
    9    H    LEU   5           H        LEU   5 -13.111  11.926  -2.382
   10    HA   LEU   5           HA       LEU   5 -10.858  13.680  -3.127
   11   1HB   LEU   5          2HB       LEU   5 -11.046  11.444  -1.081
   12   2HB   LEU   5          1HB       LEU   5  -9.675  12.536  -1.273
   13    HG   LEU   5           HG       LEU   5 -11.922  14.215  -1.089
   14   1HD1  LEU   5          2HD1      LEU   5 -12.850  11.892  -0.115
   15   2HD1  LEU   5          1HD1      LEU   5 -12.038  12.481   1.335
   16   3HD1  LEU   5          3HD1      LEU   5 -13.307  13.446   0.582
   17   1HD2  LEU   5          1HD2      LEU   5  -9.658  13.418   0.728
   18   2HD2  LEU   5          3HD2      LEU   5  -9.913  14.941  -0.124
   19   3HD2  LEU   5          2HD2      LEU   5 -10.883  14.553   1.295
   20    NH1  ARG   6           NH1      ARG   6 -10.774  11.152  -8.432
   21    NH2  ARG   6           NH2      ARG   6 -11.322  13.190  -7.600
   22    H    ARG   6           H        ARG   6  -8.645  12.491  -3.353
   23    HA   ARG   6           HA       ARG   6  -8.985  10.438  -5.448
   24   1HB   ARG   6          2HB       ARG   6  -7.014  12.485  -4.865
   25   2HB   ARG   6          1HB       ARG   6  -6.270  10.932  -5.214
   26   1HG   ARG   6          2HG       ARG   6  -6.495  11.878  -7.351
   27   2HG   ARG   6          1HG       ARG   6  -7.929  10.858  -7.228
   28   1HD   ARG   6          2HD       ARG   6  -8.944  13.103  -6.162
   29   2HD   ARG   6          1HD       ARG   6  -7.706  13.832  -7.183
   30    HE   ARG   6           HE       ARG   6  -8.828  12.917  -9.129
   31   1HH1  ARG   6          2HH1      ARG   6 -10.090  10.525  -8.806
   32   2HH1  ARG   6          1HH1      ARG   6 -11.723  10.851  -8.325
   33   1HH2  ARG   6          1HH2      ARG   6 -11.058  14.118  -7.337
   34   2HH2  ARG   6          2HH2      ARG   6 -12.271  12.892  -7.490
   35    H    CYS   7           H        CYS   7  -8.074  10.658  -2.158
   36    HA   CYS   7           HA       CYS   7  -6.223   8.599  -1.819
   37   1HB   CYS   7          2HB       CYS   7  -8.341   9.771  -0.106
   38   2HB   CYS   7          1HB       CYS   7  -7.711   8.200   0.382
   39    H    GLN   8           H        GLN   8  -9.759   8.248  -1.605
   40    HA   GLN   8           HA       GLN   8 -11.158   6.491  -2.235
   41   1HB   GLN   8          2HB       GLN   8  -9.559   6.223  -4.173
   42   2HB   GLN   8          1HB       GLN   8  -8.679   5.065  -3.187
   43   1HG   GLN   8          2HG       GLN   8 -10.099   3.607  -4.284
   44   2HG   GLN   8          1HG       GLN   8 -11.119   4.010  -2.903
   45   1HE2  GLN   8          2HE2      GLN   8 -13.506   5.767  -4.847
   46   2HE2  GLN   8          1HE2      GLN   8 -13.010   5.319  -3.287
   47    H    CYS   9           H        CYS   9  -8.167   5.805  -0.455
   48    HA   CYS   9           HA       CYS   9  -9.682   3.768   1.126
   49   1HB   CYS   9          2HB       CYS   9  -6.963   3.742  -0.012
   50   2HB   CYS   9          1HB       CYS   9  -7.038   3.267   1.682
   51    H    ILE  10           H        ILE  10 -10.370   4.930   2.890
   52    HA   ILE  10           HA       ILE  10  -8.904   7.097   4.099
   53    HB   ILE  10           HB       ILE  10 -11.018   5.290   5.329
   54   1HG1  ILE  10          2HG1      ILE  10 -12.049   7.851   4.713
   55   2HG1  ILE  10          1HG1      ILE  10 -11.148   7.341   3.286
   56   1HG2  ILE  10          3HG2      ILE  10  -9.884   7.980   6.141
   57   2HG2  ILE  10          2HG2      ILE  10 -11.391   7.330   6.790
   58   3HG2  ILE  10          1HG2      ILE  10  -9.870   6.484   7.076
   59   1HD1  ILE  10          2HD1      ILE  10 -12.461   5.028   3.947
   60   2HD1  ILE  10          1HD1      ILE  10 -13.642   6.249   4.422
   61   3HD1  ILE  10          3HD1      ILE  10 -13.044   6.200   2.764
   62    H    LYS  11           H        LYS  11  -8.993   3.610   4.589
   63    HA   LYS  11           HA       LYS  11  -6.828   3.847   6.643
   64   1HB   LYS  11          2HB       LYS  11  -8.743   1.555   6.066
   65   2HB   LYS  11          1HB       LYS  11  -7.468   1.526   7.284
   66   1HG   LYS  11          2HG       LYS  11  -8.529   3.517   8.371
   67   2HG   LYS  11          1HG       LYS  11  -9.854   3.395   7.213
   68   1HD   LYS  11          2HD       LYS  11  -9.946   0.890   8.048
   69   2HD   LYS  11          1HD       LYS  11  -9.133   1.551   9.466
   70   1HE   LYS  11          2HE       LYS  11 -11.094   3.403   9.128
   71   2HE   LYS  11          1HE       LYS  11 -11.910   1.965   8.517
   72   1HZ   LYS  11          2HZ       LYS  11 -11.303   0.816  10.573
   73   2HZ   LYS  11          1HZ       LYS  11 -10.589   2.240  11.164
   74   3HZ   LYS  11          3HZ       LYS  11 -12.260   2.185  10.878
   75    H    THR  12           H        THR  12  -5.496   1.506   6.411
   76    HA   THR  12           HA       THR  12  -5.063   0.943   3.541
   77    HB   THR  12           HB       THR  12  -2.460   1.182   4.352
   78    HG1  THR  12           HG1      THR  12  -3.670   3.569   5.203
   79   1HG2  THR  12          3HG2      THR  12  -3.419   1.865   2.210
   80   2HG2  THR  12          2HG2      THR  12  -4.202   3.242   2.987
   81   3HG2  THR  12          1HG2      THR  12  -2.442   3.163   2.896
   82    OH   TYR  13           OH       TYR  13  -2.930  -8.777   4.291
   83    H    TYR  13           H        TYR  13  -2.997  -0.600   3.440
   84    HA   TYR  13           HA       TYR  13  -3.703  -2.879   5.184
   85   1HB   TYR  13          2HB       TYR  13  -3.497  -2.926   2.583
   86   2HB   TYR  13          1HB       TYR  13  -1.764  -2.955   2.881
   87    HD1  TYR  13           HD1      TYR  13  -4.312  -4.494   5.072
   88    HD2  TYR  13           HD2      TYR  13  -1.298  -5.124   2.086
   89    HE1  TYR  13           HE1      TYR  13  -4.395  -6.943   5.516
   90    HE2  TYR  13           HE2      TYR  13  -1.375  -7.577   2.522
   91    HH   TYR  13           HH       TYR  13  -3.766  -9.113   3.961
   92    H    SER  14           H        SER  14  -2.569  -2.790   7.082
   93    HA   SER  14           HA       SER  14   0.215  -1.835   7.136
   94   1HB   SER  14          2HB       SER  14  -1.717  -2.818   9.239
   95   2HB   SER  14          1HB       SER  14  -0.012  -2.577   9.608
   96    HG   SER  14           HG       SER  14  -1.533  -0.742   9.929
   97    H    LYS  15           H        LYS  15  -1.523  -4.899   7.138
   98    HA   LYS  15           HA       LYS  15   0.794  -6.480   7.904
   99   1HB   LYS  15          2HB       LYS  15  -1.287  -7.803   6.286
  100   2HB   LYS  15          1HB       LYS  15  -0.577  -8.295   7.805
  101   1HG   LYS  15          2HG       LYS  15  -1.944  -6.214   8.739
  102   2HG   LYS  15          1HG       LYS  15  -2.939  -6.533   7.319
  103   1HD   LYS  15          2HD       LYS  15  -3.964  -7.921   8.872
  104   2HD   LYS  15          1HD       LYS  15  -2.790  -9.036   8.172
  105   1HE   LYS  15          2HE       LYS  15  -1.200  -8.459  10.007
  106   2HE   LYS  15          1HE       LYS  15  -2.444  -7.439  10.730
  107   1HZ   LYS  15          2HZ       LYS  15  -3.877  -9.374  10.914
  108   2HZ   LYS  15          1HZ       LYS  15  -2.677 -10.358  10.219
  109   3HZ   LYS  15          3HZ       LYS  15  -2.411  -9.636  11.731
  110    HA   PRO  16           HA       PRO  16   2.642  -6.393   3.895
  111   1HB   PRO  16          2HB       PRO  16   4.637  -8.169   4.470
  112   2HB   PRO  16          1HB       PRO  16   4.630  -6.503   5.032
  113   1HG   PRO  16          2HG       PRO  16   4.156  -8.991   6.580
  114   2HG   PRO  16          1HG       PRO  16   4.670  -7.397   7.154
  115   1HD   PRO  16          2HD       PRO  16   2.031  -8.513   7.287
  116   2HD   PRO  16          1HD       PRO  16   2.517  -6.870   7.740
  117    H    PHE  17           H        PHE  17   3.133  -7.887   2.091
  118    HA   PHE  17           HA       PHE  17   2.358 -10.678   2.250
  119   1HB   PHE  17          2HB       PHE  17   0.322 -10.675   1.055
  120   2HB   PHE  17          1HB       PHE  17   0.140  -9.378   2.225
  121    HD1  PHE  17           HD2      PHE  17   1.719  -7.186   0.923
  122    HD2  PHE  17           HD1      PHE  17  -1.025 -10.040  -0.748
  123    HE1  PHE  17           HE2      PHE  17   1.207  -5.617  -0.925
  124    HE2  PHE  17           HE1      PHE  17  -1.538  -8.462  -2.585
  125    HZ   PHE  17           HZ       PHE  17  -0.423  -6.261  -2.679
  126    H    HIS  18           H        HIS  18   2.497 -11.754   0.068
  127    HA   HIS  18           HA       HIS  18   4.832 -10.796  -1.341
  128   1HB   HIS  18          2HB       HIS  18   4.596 -13.135  -1.071
  129   2HB   HIS  18          1HB       HIS  18   2.961 -13.115  -1.720
  130    HD1  HIS  18           HD1      HIS  18   6.564 -13.017  -2.780
  131    HD2  HIS  18           HD2      HIS  18   2.792 -12.865  -4.475
  132    HE1  HIS  18           HE1      HIS  18   6.883 -13.272  -5.291
  133    HA   PRO  19           HA       PRO  19   2.863  -8.183  -4.271
  134   1HB   PRO  19          2HB       PRO  19   5.004  -7.860  -5.944
  135   2HB   PRO  19          1HB       PRO  19   4.843  -7.065  -4.371
  136   1HG   PRO  19          2HG       PRO  19   6.556  -9.384  -5.139
  137   2HG   PRO  19          1HG       PRO  19   6.817  -8.168  -3.879
  138   1HD   PRO  19          2HD       PRO  19   5.889 -10.793  -3.458
  139   2HD   PRO  19          1HD       PRO  19   5.798  -9.465  -2.286
  140    H    LYS  20           H        LYS  20   4.736 -10.866  -5.802
  141    HA   LYS  20           HA       LYS  20   3.762 -10.610  -8.391
  142   1HB   LYS  20          2HB       LYS  20   5.404 -12.374  -7.365
  143   2HB   LYS  20          1HB       LYS  20   3.956 -13.367  -7.359
  144   1HG   LYS  20          2HG       LYS  20   3.630 -12.961  -9.758
  145   2HG   LYS  20          1HG       LYS  20   5.050 -11.914  -9.777
  146   1HD   LYS  20          2HD       LYS  20   6.172 -14.103  -8.693
  147   2HD   LYS  20          1HD       LYS  20   4.887 -14.887  -9.609
  148   1HE   LYS  20          2HE       LYS  20   6.642 -12.802 -10.900
  149   2HE   LYS  20          1HE       LYS  20   7.167 -14.482 -10.795
  150   1HZ   LYS  20          1HZ       LYS  20   5.013 -15.094 -11.851
  151   2HZ   LYS  20          3HZ       LYS  20   4.721 -13.444 -12.114
  152   3HZ   LYS  20          2HZ       LYS  20   6.051 -14.199 -12.853
  153    H    PHE  21           H        PHE  21   1.906 -11.721  -5.627
  154    HA   PHE  21           HA       PHE  21  -0.207 -13.051  -7.015
  155   1HB   PHE  21          2HB       PHE  21  -0.443 -11.368  -4.547
  156   2HB   PHE  21          1HB       PHE  21  -1.571 -12.591  -5.068
  157    HD1  PHE  21           HD1      PHE  21   0.775 -14.534  -5.989
  158    HD2  PHE  21           HD2      PHE  21  -0.126 -12.402  -2.369
  159    HE1  PHE  21           HE1      PHE  21   2.021 -16.227  -4.672
  160    HE2  PHE  21           HE2      PHE  21   1.120 -14.092  -1.058
  161    HZ   PHE  21           HZ       PHE  21   2.192 -16.009  -2.211
  162    H    ILE  22           H        ILE  22   0.392  -9.681  -6.186
  163    HA   ILE  22           HA       ILE  22  -2.050  -8.525  -7.070
  164    HB   ILE  22           HB       ILE  22   0.768  -7.403  -6.989
  165   1HG1  ILE  22          2HG1      ILE  22   0.000  -8.027  -4.785
  166   2HG1  ILE  22          1HG1      ILE  22  -0.142  -6.276  -4.917
  167   1HG2  ILE  22          3HG2      ILE  22  -1.862  -6.172  -7.707
  168   2HG2  ILE  22          2HG2      ILE  22  -0.695  -5.206  -6.805
  169   3HG2  ILE  22          1HG2      ILE  22  -0.261  -5.868  -8.379
  170   1HD1  ILE  22          2HD1      ILE  22  -2.574  -6.700  -5.654
  171   2HD1  ILE  22          1HD1      ILE  22  -2.341  -8.343  -5.058
  172   3HD1  ILE  22          3HD1      ILE  22  -2.198  -6.975  -3.954
  173    H    LYS  23           H        LYS  23  -2.889  -8.466  -9.064
  174    HA   LYS  23           HA       LYS  23  -1.192  -9.034 -11.412
  175   1HB   LYS  23          2HB       LYS  23  -4.045  -9.183 -10.761
  176   2HB   LYS  23          1HB       LYS  23  -3.753  -8.439 -12.333
  177   1HG   LYS  23          2HG       LYS  23  -2.026 -10.492 -12.522
  178   2HG   LYS  23          1HG       LYS  23  -3.193 -11.218 -11.417
  179   1HD   LYS  23          2HD       LYS  23  -4.960 -11.035 -12.962
  180   2HD   LYS  23          1HD       LYS  23  -4.117  -9.816 -13.920
  181   1HE   LYS  23          2HE       LYS  23  -2.807 -12.484 -13.646
  182   2HE   LYS  23          1HE       LYS  23  -4.226 -12.381 -14.687
  183   1HZ   LYS  23          1HZ       LYS  23  -1.816 -10.653 -14.884
  184   2HZ   LYS  23          3HZ       LYS  23  -2.182 -11.954 -15.910
  185   3HZ   LYS  23          2HZ       LYS  23  -3.180 -10.579 -15.896
  186    H    GLU  24           H        GLU  24  -2.696  -6.306  -9.810
  187    HA   GLU  24           HA       GLU  24  -1.499  -4.509 -11.858
  188   1HB   GLU  24          2HB       GLU  24  -4.394  -4.645 -11.062
  189   2HB   GLU  24          1HB       GLU  24  -3.689  -3.088 -11.497
  190   1HG   GLU  24          2HG       GLU  24  -3.535  -3.632 -13.699
  191   2HG   GLU  24          1HG       GLU  24  -3.019  -5.282 -13.353
  192    HA   LEU  25           HA       LEU  25  -0.919  -2.581  -7.831
  193   1HB   LEU  25          2HB       LEU  25   1.073  -3.871  -7.615
  194   2HB   LEU  25          1HB       LEU  25   1.829  -3.075  -8.993
  195    HG   LEU  25           HG       LEU  25   1.030  -1.162  -6.933
  196   1HD1  LEU  25          3HD1      LEU  25   1.792  -3.489  -5.787
  197   2HD1  LEU  25          2HD1      LEU  25   3.370  -2.745  -6.043
  198   3HD1  LEU  25          1HD1      LEU  25   2.142  -1.907  -5.092
  199   1HD2  LEU  25          1HD2      LEU  25   2.938  -1.427  -8.964
  200   2HD2  LEU  25          3HD2      LEU  25   2.813  -0.095  -7.817
  201   3HD2  LEU  25          2HD2      LEU  25   3.880  -1.457  -7.475
  202    NH1  ARG  26           NH2      ARG  26  -6.947   3.654  -8.742
  203    NH2  ARG  26           NH1      ARG  26  -7.961   1.886  -9.738
  204    H    ARG  26           H        ARG  26  -1.872  -0.564  -8.173
  205    HA   ARG  26           HA       ARG  26  -0.131   1.402  -9.580
  206   1HB   ARG  26          2HB       ARG  26  -2.337   2.612 -10.133
  207   2HB   ARG  26          1HB       ARG  26  -2.006   1.123 -11.016
  208   1HG   ARG  26          2HG       ARG  26  -3.644  -0.071  -9.899
  209   2HG   ARG  26          1HG       ARG  26  -3.523   0.918  -8.445
  210   1HD   ARG  26          2HD       ARG  26  -4.410   2.814 -10.103
  211   2HD   ARG  26          1HD       ARG  26  -5.070   1.416 -10.952
  212    HE   ARG  26           HE       ARG  26  -5.744   1.109  -8.223
  213   1HH1  ARG  26          1HH2      ARG  26  -6.145   4.055  -8.300
  214   2HH1  ARG  26          2HH2      ARG  26  -7.775   4.200  -8.865
  215   1HH2  ARG  26          2HH1      ARG  26  -7.934   0.938 -10.056
  216   2HH2  ARG  26          1HH1      ARG  26  -8.792   2.429  -9.862
  217    H    VAL  27           H        VAL  27   0.481   3.110  -8.327
  218    HA   VAL  27           HA       VAL  27  -0.888   3.516  -5.718
  219    HB   VAL  27           HB       VAL  27   1.178   4.834  -5.174
  220   1HG1  VAL  27          2HG1      VAL  27   1.558   1.980  -6.105
  221   2HG1  VAL  27          1HG1      VAL  27   2.672   2.842  -5.043
  222   3HG1  VAL  27          3HG1      VAL  27   1.029   2.501  -4.508
  223   1HG2  VAL  27          1HG2      VAL  27   1.655   5.250  -7.686
  224   2HG2  VAL  27          3HG2      VAL  27   3.031   4.915  -6.637
  225   3HG2  VAL  27          2HG2      VAL  27   2.379   3.643  -7.668
  226    H    ILE  28           H        ILE  28  -1.521   5.661  -5.061
  227    HA   ILE  28           HA       ILE  28  -1.920   7.534  -7.365
  228    HB   ILE  28           HB       ILE  28  -3.433   7.280  -4.742
  229   1HG1  ILE  28          2HG1      ILE  28  -4.244   6.760  -7.625
  230   2HG1  ILE  28          1HG1      ILE  28  -3.918   5.518  -6.417
  231   1HG2  ILE  28          3HG2      ILE  28  -3.817   9.187  -7.076
  232   2HG2  ILE  28          2HG2      ILE  28  -4.933   9.011  -5.721
  233   3HG2  ILE  28          1HG2      ILE  28  -3.306   9.630  -5.447
  234   1HD1  ILE  28          1HD1      ILE  28  -5.744   6.568  -4.998
  235   2HD1  ILE  28          3HD1      ILE  28  -6.156   7.559  -6.399
  236   3HD1  ILE  28          2HD1      ILE  28  -6.302   5.804  -6.486
  237    H    GLU  29           H        GLU  29  -0.863   9.474  -7.301
  238    HA   GLU  29           HA       GLU  29   1.082  10.016  -5.244
  239   1HB   GLU  29          2HB       GLU  29   0.035  11.557  -7.610
  240   2HB   GLU  29          1HB       GLU  29   1.169  12.291  -6.484
  241   1HG   GLU  29          2HG       GLU  29   2.831  10.616  -6.923
  242   2HG   GLU  29          1HG       GLU  29   1.682   9.627  -7.823
  243    H    SER  30           H        SER  30   1.095  12.422  -4.337
  244    HA   SER  30           HA       SER  30  -1.511  12.796  -2.938
  245   1HB   SER  30          2HB       SER  30   0.117  14.299  -1.470
  246   2HB   SER  30          1HB       SER  30   0.026  12.560  -1.228
  247    HG   SER  30           HG       SER  30   1.999  14.119  -2.473
  248    H    GLY  31           H        GLY  31  -2.101  15.081  -2.455
  249   1HA   GLY  31          2HA       GLY  31  -0.984  17.357  -3.705
  250   2HA   GLY  31          1HA       GLY  31  -2.153  16.683  -4.832
  251    HA   PRO  32           HA       PRO  32  -4.711  19.313  -2.116
  252   1HB   PRO  32          2HB       PRO  32  -6.447  20.020  -4.137
  253   2HB   PRO  32          1HB       PRO  32  -4.947  20.894  -3.783
  254   1HG   PRO  32          2HG       PRO  32  -5.538  18.995  -6.014
  255   2HG   PRO  32          1HG       PRO  32  -4.402  20.354  -5.969
  256   1HD   PRO  32          2HD       PRO  32  -3.696  17.643  -5.717
  257   2HD   PRO  32          1HD       PRO  32  -2.672  19.019  -5.257
  258    H    HIS  33           H        HIS  33  -5.589  16.921  -4.551
  259    HA   HIS  33           HA       HIS  33  -8.216  16.247  -3.757
  260   1HB   HIS  33          2HB       HIS  33  -7.625  13.948  -4.700
  261   2HB   HIS  33          1HB       HIS  33  -7.391  15.290  -5.800
  262    HD1  HIS  33           HD1      HIS  33  -4.889  16.059  -6.235
  263    HD2  HIS  33           HD2      HIS  33  -5.249  12.599  -3.936
  264    HE1  HIS  33           HE1      HIS  33  -2.564  15.076  -6.051
  265    H    CYS  34           H        CYS  34  -5.092  15.063  -2.539
  266    HA   CYS  34           HA       CYS  34  -6.319  14.386   0.002
  267   1HB   CYS  34          2HB       CYS  34  -6.228  12.307  -1.791
  268   2HB   CYS  34          1HB       CYS  34  -4.679  12.136  -0.965
  269    H    ALA  35           H        ALA  35  -4.892  14.879   1.601
  270    HA   ALA  35           HA       ALA  35  -2.313  15.978   0.962
  271   1HB   ALA  35          1HB       ALA  35  -3.877  16.445   2.997
  272   2HB   ALA  35          3HB       ALA  35  -3.061  15.061   3.727
  273   3HB   ALA  35          2HB       ALA  35  -2.131  16.480   3.244
  274    H    ASN  36           H        ASN  36  -3.275  12.867   2.423
  275    HA   ASN  36           HA       ASN  36  -0.450  12.013   2.522
  276   1HB   ASN  36          2HB       ASN  36  -3.035  10.994   3.606
  277   2HB   ASN  36          1HB       ASN  36  -1.759   9.815   3.306
  278   1HD2  ASN  36          2HD2      ASN  36   0.251  10.903   6.012
  279   2HD2  ASN  36          1HD2      ASN  36   0.125   9.868   4.673
  280    H    THR  37           H        THR  37   0.418  10.335   1.302
  281    HA   THR  37           HA       THR  37  -0.919   9.774  -1.271
  282    HB   THR  37           HB       THR  37   1.709   8.557  -0.453
  283    HG1  THR  37           HG1      THR  37   2.646  10.424  -0.338
  284   1HG2  THR  37          2HG2      THR  37   0.521   9.672  -3.001
  285   2HG2  THR  37          1HG2      THR  37   2.208   9.179  -2.860
  286   3HG2  THR  37          3HG2      THR  37   0.921   7.992  -2.648
  287    H    GLU  38           H        GLU  38  -1.255   7.505  -2.009
  288    HA   GLU  38           HA       GLU  38  -1.163   5.441   0.122
  289   1HB   GLU  38          2HB       GLU  38  -3.485   6.844  -0.217
  290   2HB   GLU  38          1HB       GLU  38  -3.735   5.503  -1.334
  291   1HG   GLU  38          2HG       GLU  38  -4.527   4.551   0.624
  292   2HG   GLU  38          1HG       GLU  38  -2.835   4.067   0.708
  293    H    ILE  39           H        ILE  39  -1.086   3.318  -0.682
  294    HA   ILE  39           HA       ILE  39  -0.538   3.109  -3.603
  295    HB   ILE  39           HB       ILE  39  -0.047   1.239  -1.260
  296   1HG1  ILE  39          2HG1      ILE  39   2.344   1.753  -2.571
  297   2HG1  ILE  39          1HG1      ILE  39   1.502   3.300  -2.663
  298   1HG2  ILE  39          3HG2      ILE  39   0.524   0.838  -4.213
  299   2HG2  ILE  39          2HG2      ILE  39   1.204  -0.160  -2.928
  300   3HG2  ILE  39          1HG2      ILE  39  -0.537  -0.140  -3.202
  301   1HD1  ILE  39          2HD1      ILE  39   1.392   1.921  -0.036
  302   2HD1  ILE  39          1HD1      ILE  39   2.972   2.539  -0.517
  303   3HD1  ILE  39          3HD1      ILE  39   1.594   3.633  -0.402
  304    H    ILE  40           H        ILE  40  -1.573   1.259  -4.806
  305    HA   ILE  40           HA       ILE  40  -3.991   0.115  -3.541
  306    HB   ILE  40           HB       ILE  40  -4.178   1.677  -6.137
  307   1HG1  ILE  40          2HG1      ILE  40  -5.432   2.315  -3.448
  308   2HG1  ILE  40          1HG1      ILE  40  -3.941   3.060  -4.020
  309   1HG2  ILE  40          2HG2      ILE  40  -6.229   0.208  -4.446
  310   2HG2  ILE  40          1HG2      ILE  40  -6.616   1.212  -5.844
  311   3HG2  ILE  40          3HG2      ILE  40  -5.670  -0.262  -6.051
  312   1HD1  ILE  40          2HD1      ILE  40  -5.171   3.832  -6.062
  313   2HD1  ILE  40          1HD1      ILE  40  -6.659   3.205  -5.352
  314   3HD1  ILE  40          3HD1      ILE  40  -5.797   4.528  -4.568
  315    H    VAL  41           H        VAL  41  -3.288  -1.973  -3.827
  316    HA   VAL  41           HA       VAL  41  -2.394  -2.807  -6.523
  317    HB   VAL  41           HB       VAL  41  -1.693  -4.885  -5.389
  318   1HG1  VAL  41          2HG1      VAL  41  -0.139  -2.974  -5.534
  319   2HG1  VAL  41          1HG1      VAL  41  -0.743  -2.379  -3.987
  320   3HG1  VAL  41          3HG1      VAL  41   0.129  -3.911  -4.064
  321   1HG2  VAL  41          1HG2      VAL  41  -3.495  -4.765  -3.615
  322   2HG2  VAL  41          3HG2      VAL  41  -1.889  -5.170  -3.010
  323   3HG2  VAL  41          2HG2      VAL  41  -2.518  -3.537  -2.815
  324    H    LYS  42           H        LYS  42  -3.224  -5.038  -7.192
  325    HA   LYS  42           HA       LYS  42  -6.053  -5.473  -6.367
  326   1HB   LYS  42          2HB       LYS  42  -5.157  -4.466  -8.898
  327   2HB   LYS  42          1HB       LYS  42  -5.777  -6.099  -9.148
  328   1HG   LYS  42          2HG       LYS  42  -7.719  -5.183  -7.539
  329   2HG   LYS  42          1HG       LYS  42  -7.209  -3.645  -8.237
  330   1HD   LYS  42          2HD       LYS  42  -7.462  -4.636 -10.514
  331   2HD   LYS  42          1HD       LYS  42  -8.080  -6.113  -9.771
  332   1HE   LYS  42          2HE       LYS  42 -10.009  -5.001  -8.922
  333   2HE   LYS  42          1HE       LYS  42  -9.323  -3.408  -9.240
  334   1HZ   LYS  42          1HZ       LYS  42  -9.418  -3.879 -11.609
  335   2HZ   LYS  42          3HZ       LYS  42 -10.084  -5.409 -11.300
  336   3HZ   LYS  42          2HZ       LYS  42 -10.960  -4.007 -10.907
  337    H    LEU  43           H        LEU  43  -5.563  -7.365  -5.242
  338    HA   LEU  43           HA       LEU  43  -3.718  -9.358  -5.896
  339   1HB   LEU  43          2HB       LEU  43  -6.311  -9.376  -4.407
  340   2HB   LEU  43          1HB       LEU  43  -5.478 -10.887  -4.703
  341    HG   LEU  43           HG       LEU  43  -4.106  -8.481  -3.486
  342   1HD1  LEU  43          2HD1      LEU  43  -5.663 -10.717  -2.196
  343   2HD1  LEU  43          1HD1      LEU  43  -4.331  -9.936  -1.343
  344   3HD1  LEU  43          3HD1      LEU  43  -5.726  -8.987  -1.857
  345   1HD2  LEU  43          2HD2      LEU  43  -3.099 -10.828  -4.569
  346   2HD2  LEU  43          1HD2      LEU  43  -2.260  -9.796  -3.413
  347   3HD2  LEU  43          3HD2      LEU  43  -3.176 -11.191  -2.845
  348    H    SER  44           H        SER  44  -3.819 -11.288  -7.018
  349    HA   SER  44           HA       SER  44  -5.142 -11.342  -9.504
  350   1HB   SER  44          2HB       SER  44  -4.483 -13.815  -9.482
  351   2HB   SER  44          1HB       SER  44  -3.176 -12.653  -9.283
  352    HG   SER  44           HG       SER  44  -4.378 -14.366  -7.414
  353    H    ASP  45           H        ASP  45  -6.333 -12.349  -6.370
  354    HA   ASP  45           HA       ASP  45  -8.413 -14.025  -7.537
  355   1HB   ASP  45          2HB       ASP  45  -9.238 -14.191  -5.154
  356   2HB   ASP  45          1HB       ASP  45  -7.598 -14.773  -5.413
  357    H    GLY  46           H        GLY  46  -8.292 -11.111  -8.234
  358   1HA   GLY  46          2HA       GLY  46  -9.850  -9.438  -8.695
  359   2HA   GLY  46          1HA       GLY  46 -11.095 -10.561  -8.163
  360    NH1  ARG  47           NH1      ARG  47 -12.769 -10.671  -0.436
  361    NH2  ARG  47           NH2      ARG  47 -13.236  -8.545   0.199
  362    H    ARG  47           H        ARG  47  -8.380  -9.343  -6.187
  363    HA   ARG  47           HA       ARG  47 -10.452  -8.071  -4.428
  364   1HB   ARG  47          2HB       ARG  47  -9.053 -10.086  -3.599
  365   2HB   ARG  47          1HB       ARG  47  -7.719  -8.943  -3.513
  366   1HG   ARG  47          2HG       ARG  47  -8.792  -9.037  -1.336
  367   2HG   ARG  47          1HG       ARG  47  -9.158  -7.474  -2.065
  368   1HD   ARG  47          2HD       ARG  47 -11.380  -7.997  -2.408
  369   2HD   ARG  47          1HD       ARG  47 -11.054  -9.718  -2.601
  370    HE   ARG  47           HE       ARG  47 -10.506  -8.943   0.107
  371   1HH1  ARG  47          2HH1      ARG  47 -12.125 -11.345  -0.801
  372   2HH1  ARG  47          1HH1      ARG  47 -13.699 -10.950  -0.194
  373   1HH2  ARG  47          1HH2      ARG  47 -12.949  -7.595   0.321
  374   2HH2  ARG  47          2HH2      ARG  47 -14.166  -8.821   0.443
  375    H    GLU  48           H        GLU  48  -9.749  -6.100  -3.299
  376    HA   GLU  48           HA       GLU  48  -7.508  -4.651  -4.653
  377   1HB   GLU  48          2HB       GLU  48  -9.811  -3.925  -5.469
  378   2HB   GLU  48          1HB       GLU  48 -10.129  -3.363  -3.827
  379   1HG   GLU  48          2HG       GLU  48  -8.406  -1.734  -3.929
  380   2HG   GLU  48          1HG       GLU  48  -7.669  -2.483  -5.344
  381    H    LEU  49           H        LEU  49  -6.037  -4.104  -3.138
  382    HA   LEU  49           HA       LEU  49  -7.007  -3.402  -0.392
  383   1HB   LEU  49          2HB       LEU  49  -5.244  -5.585  -1.198
  384   2HB   LEU  49          1HB       LEU  49  -4.443  -4.470  -0.092
  385    HG   LEU  49           HG       LEU  49  -6.689  -4.669   1.271
  386   1HD1  LEU  49          1HD1      LEU  49  -7.634  -6.118  -0.666
  387   2HD1  LEU  49          3HD1      LEU  49  -6.623  -7.402  -0.005
  388   3HD1  LEU  49          2HD1      LEU  49  -7.893  -6.680   0.985
  389   1HD2  LEU  49          3HD2      LEU  49  -4.281  -5.495   1.776
  390   2HD2  LEU  49          2HD2      LEU  49  -5.607  -6.265   2.645
  391   3HD2  LEU  49          1HD2      LEU  49  -4.866  -7.078   1.266
  392    H    CYS  50           H        CYS  50  -6.315  -1.346   0.057
  393    HA   CYS  50           HA       CYS  50  -4.150  -0.164  -1.523
  394   1HB   CYS  50          2HB       CYS  50  -5.455   1.118   0.814
  395   2HB   CYS  50          1HB       CYS  50  -4.732   1.887  -0.570
  396    H    LEU  51           H        LEU  51  -2.105   0.323  -0.671
  397    HA   LEU  51           HA       LEU  51  -1.499  -1.077   1.849
  398   1HB   LEU  51          2HB       LEU  51   0.275  -0.237  -0.420
  399   2HB   LEU  51          1HB       LEU  51   0.860  -0.951   1.060
  400    HG   LEU  51           HG       LEU  51  -0.838  -2.851   0.587
  401   1HD1  LEU  51          2HD1      LEU  51  -0.945  -1.243  -1.892
  402   2HD1  LEU  51          1HD1      LEU  51  -0.839  -2.990  -2.100
  403   3HD1  LEU  51          3HD1      LEU  51  -2.162  -2.292  -1.170
  404   1HD2  LEU  51          3HD2      LEU  51   1.844  -2.538   0.047
  405   2HD2  LEU  51          2HD2      LEU  51   0.955  -4.050  -0.119
  406   3HD2  LEU  51          1HD2      LEU  51   1.206  -3.017  -1.525
  407    H    ASP  52           H        ASP  52  -0.026  -0.206   3.296
  408    HA   ASP  52           HA       ASP  52  -0.289   2.731   3.622
  409   1HB   ASP  52          2HB       ASP  52  -0.929   0.867   5.383
  410   2HB   ASP  52          1HB       ASP  52   0.798   0.874   5.722
  411    HA   PRO  53           HA       PRO  53   4.017   2.869   2.404
  412   1HB   PRO  53          2HB       PRO  53   4.180   5.621   2.511
  413   2HB   PRO  53          1HB       PRO  53   3.543   4.715   1.127
  414   1HG   PRO  53          2HG       PRO  53   2.053   6.232   3.231
  415   2HG   PRO  53          1HG       PRO  53   1.620   5.941   1.537
  416   1HD   PRO  53          2HD       PRO  53   0.530   4.569   3.716
  417   2HD   PRO  53          1HD       PRO  53   0.513   3.986   2.038
  418    H    LYS  54           H        LYS  54   2.583   3.599   5.401
  419    HA   LYS  54           HA       LYS  54   4.720   4.860   6.783
  420   1HB   LYS  54          2HB       LYS  54   2.173   3.659   7.453
  421   2HB   LYS  54          1HB       LYS  54   3.400   3.188   8.626
  422   1HG   LYS  54          2HG       LYS  54   2.776   5.197   9.563
  423   2HG   LYS  54          1HG       LYS  54   4.010   5.791   8.452
  424   1HD   LYS  54          2HD       LYS  54   2.357   6.407   6.816
  425   2HD   LYS  54          1HD       LYS  54   1.081   5.583   7.712
  426   1HE   LYS  54          2HE       LYS  54   1.194   7.178   9.505
  427   2HE   LYS  54          1HE       LYS  54   2.668   7.895   8.855
  428   1HZ   LYS  54          3HZ       LYS  54   0.026   7.900   7.498
  429   2HZ   LYS  54          2HZ       LYS  54   0.691   9.213   8.346
  430   3HZ   LYS  54          1HZ       LYS  54   1.443   8.643   6.934
  431    H    GLU  55           H        GLU  55   4.146   1.488   5.870
  432    HA   GLU  55           HA       GLU  55   6.324   0.531   7.610
  433   1HB   GLU  55          2HB       GLU  55   4.432  -0.771   5.665
  434   2HB   GLU  55          1HB       GLU  55   5.848  -1.625   6.228
  435   1HG   GLU  55          2HG       GLU  55   3.771  -0.425   8.051
  436   2HG   GLU  55          1HG       GLU  55   3.825  -2.118   7.592
  437    H    ASN  56           H        ASN  56   7.986  -0.891   6.476
  438    HA   ASN  56           HA       ASN  56   9.119   0.611   4.182
  439   1HB   ASN  56          2HB       ASN  56  10.224  -0.700   6.465
  440   2HB   ASN  56          1HB       ASN  56  10.877  -1.428   5.005
  441   1HD2  ASN  56          2HD2      ASN  56  12.139   2.235   6.106
  442   2HD2  ASN  56          1HD2      ASN  56  11.151   1.278   7.099
  443    CH2  TRP  57           CH2      TRP  57   1.738  -4.519   2.400
  444    H    TRP  57           H        TRP  57   7.490  -2.320   4.942
  445    HA   TRP  57           HA       TRP  57   8.534  -3.878   2.766
  446   1HB   TRP  57          2HB       TRP  57   6.987  -5.542   3.438
  447   2HB   TRP  57          1HB       TRP  57   7.509  -4.778   4.911
  448    HD1  TRP  57           HD1      TRP  57   5.730  -3.700   6.369
  449    HE1  TRP  57           HE1      TRP  57   3.181  -3.507   6.236
  450    HE3  TRP  57           HE3      TRP  57   4.978  -5.144   1.552
  451    HZ2  TRP  57           HZ2      TRP  57   1.078  -3.846   4.339
  452    HZ3  TRP  57           HZ3      TRP  57   2.703  -5.171   0.597
  453    HH2  TRP  57           HH2      TRP  57   0.745  -4.542   1.970
  454    H    VAL  58           H        VAL  58   5.696  -1.817   3.259
  455    HA   VAL  58           HA       VAL  58   4.381  -2.503   0.795
  456    HB   VAL  58           HB       VAL  58   4.294  -0.098   2.604
  457   1HG1  VAL  58          3HG1      VAL  58   2.968  -0.439  -0.082
  458   2HG1  VAL  58          2HG1      VAL  58   2.295   0.617   1.161
  459   3HG1  VAL  58          1HG1      VAL  58   3.901   0.938   0.505
  460   1HG2  VAL  58          3HG2      VAL  58   2.448  -2.359   1.899
  461   2HG2  VAL  58          2HG2      VAL  58   3.071  -1.901   3.484
  462   3HG2  VAL  58          1HG2      VAL  58   1.853  -0.903   2.693
  463    H    GLN  59           H        GLN  59   6.769   0.027   1.600
  464    HA   GLN  59           HA       GLN  59   6.842   1.048  -1.107
  465   1HB   GLN  59          2HB       GLN  59   8.628   2.467  -0.325
  466   2HB   GLN  59          1HB       GLN  59   7.360   2.431   0.895
  467   1HG   GLN  59          2HG       GLN  59   8.595   0.658   2.088
  468   2HG   GLN  59          1HG       GLN  59   9.886   0.780   0.899
  469   1HE2  GLN  59          2HE2      GLN  59  11.207   3.804   2.242
  470   2HE2  GLN  59          1HE2      GLN  59  11.223   2.743   0.917
  471    NH1  ARG  60           NH2      ARG  60  12.798  -4.967   3.970
  472    NH2  ARG  60           NH1      ARG  60  13.888  -6.429   2.624
  473    H    ARG  60           H        ARG  60   8.499  -1.496   0.606
  474    HA   ARG  60           HA       ARG  60  10.650  -1.696  -1.398
  475   1HB   ARG  60          2HB       ARG  60  10.607  -2.423   1.186
  476   2HB   ARG  60          1HB       ARG  60  10.048  -3.938   0.484
  477   1HG   ARG  60          2HG       ARG  60  12.021  -4.237  -0.760
  478   2HG   ARG  60          1HG       ARG  60  12.466  -2.535  -0.637
  479   1HD   ARG  60          2HD       ARG  60  13.899  -3.748   0.870
  480   2HD   ARG  60          1HD       ARG  60  12.726  -2.878   1.857
  481    HE   ARG  60           HE       ARG  60  11.643  -5.445   1.357
  482   1HH1  ARG  60          1HH2      ARG  60  12.143  -4.220   4.086
  483   2HH1  ARG  60          2HH2      ARG  60  13.274  -5.341   4.766
  484   1HH2  ARG  60          2HH1      ARG  60  14.066  -6.801   1.712
  485   2HH2  ARG  60          1HH1      ARG  60  14.367  -6.807   3.418
  486    H    VAL  61           H        VAL  61   7.637  -3.333  -0.501
  487    HA   VAL  61           HA       VAL  61   7.813  -5.439  -2.452
  488    HB   VAL  61           HB       VAL  61   5.517  -4.188  -0.927
  489   1HG1  VAL  61          2HG1      VAL  61   5.435  -6.507  -2.871
  490   2HG1  VAL  61          1HG1      VAL  61   4.136  -6.090  -1.754
  491   3HG1  VAL  61          3HG1      VAL  61   4.587  -4.970  -3.039
  492   1HG2  VAL  61          2HG2      VAL  61   7.158  -5.612   0.293
  493   2HG2  VAL  61          1HG2      VAL  61   5.548  -6.328   0.261
  494   3HG2  VAL  61          3HG2      VAL  61   6.804  -6.934  -0.818
  495    H    VAL  62           H        VAL  62   6.346  -2.186  -2.507
  496    HA   VAL  62           HA       VAL  62   5.251  -2.460  -5.166
  497    HB   VAL  62           HB       VAL  62   4.541  -0.733  -3.448
  498   1HG1  VAL  62          1HG1      VAL  62   6.887  -0.061  -2.841
  499   2HG1  VAL  62          3HG1      VAL  62   7.009   0.741  -4.407
  500   3HG1  VAL  62          2HG1      VAL  62   5.830   1.298  -3.219
  501   1HG2  VAL  62          3HG2      VAL  62   5.219  -0.104  -6.303
  502   2HG2  VAL  62          2HG2      VAL  62   3.639  -0.307  -5.550
  503   3HG2  VAL  62          1HG2      VAL  62   4.561   1.171  -5.279
  504    H    GLU  63           H        GLU  63   8.363  -1.262  -3.900
  505    HA   GLU  63           HA       GLU  63   9.360  -0.339  -6.420
  506   1HB   GLU  63          2HB       GLU  63  10.234  -0.065  -3.882
  507   2HB   GLU  63          1HB       GLU  63  11.290  -1.376  -4.408
  508   1HG   GLU  63          2HG       GLU  63  12.415  -0.053  -5.898
  509   2HG   GLU  63          1HG       GLU  63  10.981   0.890  -6.306
  510    H    LYS  64           H        LYS  64   9.701  -3.433  -4.663
  511    HA   LYS  64           HA       LYS  64  11.396  -4.674  -6.592
  512   1HB   LYS  64          2HB       LYS  64  10.760  -5.415  -4.157
  513   2HB   LYS  64          1HB       LYS  64   9.422  -6.241  -4.955
  514   1HG   LYS  64          2HG       LYS  64  11.604  -6.897  -6.540
  515   2HG   LYS  64          1HG       LYS  64  12.269  -6.926  -4.908
  516   1HD   LYS  64          2HD       LYS  64   9.910  -8.214  -4.492
  517   2HD   LYS  64          1HD       LYS  64  10.247  -8.697  -6.154
  518   1HE   LYS  64          2HE       LYS  64  12.125  -9.892  -5.575
  519   2HE   LYS  64          1HE       LYS  64  12.520  -8.822  -4.231
  520   1HZ   LYS  64          3HZ       LYS  64  10.295 -10.790  -4.265
  521   2HZ   LYS  64          2HZ       LYS  64  11.780 -10.994  -3.465
  522   3HZ   LYS  64          1HZ       LYS  64  10.704  -9.776  -2.968
  523    H    PHE  65           H        PHE  65   7.929  -4.193  -6.411
  524    HA   PHE  65           HA       PHE  65   7.206  -6.141  -8.429
  525   1HB   PHE  65          2HB       PHE  65   5.729  -5.003  -6.617
  526   2HB   PHE  65          1HB       PHE  65   5.616  -3.669  -7.757
  527    HD1  PHE  65           HD2      PHE  65   5.318  -7.421  -7.729
  528    HD2  PHE  65           HD1      PHE  65   3.868  -3.688  -9.279
  529    HE1  PHE  65           HE2      PHE  65   3.551  -8.626  -8.983
  530    HE2  PHE  65           HE1      PHE  65   2.101  -4.891 -10.530
  531    HZ   PHE  65           HZ       PHE  65   1.942  -7.361 -10.384
  532    H    LEU  66           H        LEU  66   7.541  -2.562  -8.482
  533    HA   LEU  66           HA       LEU  66   7.506  -2.666 -11.459
  534   1HB   LEU  66          2HB       LEU  66   6.022  -1.039 -10.236
  535   2HB   LEU  66          1HB       LEU  66   7.476  -0.227  -9.656
  536    HG   LEU  66           HG       LEU  66   8.086  -0.261 -12.258
  537   1HD1  LEU  66          1HD1      LEU  66   5.076  -0.482 -12.117
  538   2HD1  LEU  66          3HD1      LEU  66   5.888   0.293 -13.478
  539   3HD1  LEU  66          2HD1      LEU  66   6.193  -1.406 -13.120
  540   1HD2  LEU  66          3HD2      LEU  66   6.200   1.667 -10.869
  541   2HD2  LEU  66          2HD2      LEU  66   7.958   1.774 -10.949
  542   3HD2  LEU  66          1HD2      LEU  66   6.994   2.009 -12.407
  543    H    LYS  67           H        LYS  67   9.359  -0.776  -9.025
  544    HA   LYS  67           HA       LYS  67  11.646  -0.310  -8.871
  545   1HB   LYS  67          2HB       LYS  67  11.599  -2.892  -9.862
  546   2HB   LYS  67          1HB       LYS  67  12.559  -2.035 -11.067
  547   1HG   LYS  67          2HG       LYS  67  13.219  -1.332  -8.279
  548   2HG   LYS  67          1HG       LYS  67  13.551  -3.012  -8.698
  549   1HD   LYS  67          2HD       LYS  67  14.392  -1.183 -10.812
  550   2HD   LYS  67          1HD       LYS  67  15.180  -0.820  -9.277
  551   1HE   LYS  67          2HE       LYS  67  16.617  -2.438 -10.133
  552   2HE   LYS  67          1HE       LYS  67  15.521  -3.436  -9.177
  553   1HZ   LYS  67          3HZ       LYS  67  15.185  -2.883 -12.077
  554   2HZ   LYS  67          2HZ       LYS  67  15.904  -4.287 -11.445
  555   3HZ   LYS  67          1HZ       LYS  67  14.267  -3.954 -11.134
  556    NH1  ARG  68           NH1      ARG  68  17.958   2.303 -11.571
  557    NH2  ARG  68           NH2      ARG  68  16.648   4.150 -11.454
  558    H    ARG  68           H        ARG  68  13.141   1.075  -9.918
  559    HA   ARG  68           HA       ARG  68  13.812   2.724 -11.432
  560   1HB   ARG  68          2HB       ARG  68  12.984   0.439 -13.099
  561   2HB   ARG  68          1HB       ARG  68  12.931   1.988 -13.933
  562   1HG   ARG  68          2HG       ARG  68  15.334   1.234 -12.280
  563   2HG   ARG  68          1HG       ARG  68  15.170   0.650 -13.936
  564   1HD   ARG  68          2HD       ARG  68  15.277   2.801 -14.848
  565   2HD   ARG  68          1HD       ARG  68  14.770   3.571 -13.346
  566    HE   ARG  68           HE       ARG  68  17.491   3.001 -14.091
  567   1HH1  ARG  68          2HH1      ARG  68  18.329   1.536 -12.095
  568   2HH1  ARG  68          1HH1      ARG  68  18.216   2.424 -10.612
  569   1HH2  ARG  68          1HH2      ARG  68  16.019   4.796 -11.889
  570   2HH2  ARG  68          2HH2      ARG  68  16.905   4.274 -10.496
  571    H    ALA  69           H        ALA  69  12.682   3.935 -13.580
  572    HA   ALA  69           HA       ALA  69   9.889   4.610 -12.754
  573   1HB   ALA  69          2HB       ALA  69  11.742   6.281 -12.024
  574   2HB   ALA  69          1HB       ALA  69  11.827   6.703 -13.734
  575   3HB   ALA  69          3HB       ALA  69  10.320   6.926 -12.844
  576    H    GLU  70           H        GLU  70   8.635   5.630 -14.533
  577    HA   GLU  70           HA       GLU  70   9.756   5.177 -17.252
  578   1HB   GLU  70          2HB       GLU  70   7.603   4.065 -17.924
  579   2HB   GLU  70          1HB       GLU  70   8.563   3.120 -16.787
  580   1HG   GLU  70          2HG       GLU  70   7.113   3.536 -15.004
  581   2HG   GLU  70          1HG       GLU  70   6.471   5.005 -15.737
  582    H    ASN  71           H        ASN  71   8.415   6.238 -18.953
  583    HA   ASN  71           HA       ASN  71   6.868   8.559 -17.857
  584   1HB   ASN  71          2HB       ASN  71   8.976   8.416 -19.995
  585   2HB   ASN  71          1HB       ASN  71   7.727   9.658 -20.085
  586   1HD2  ASN  71          2HD2      ASN  71   9.171  11.624 -17.540
  587   2HD2  ASN  71          1HD2      ASN  71   7.980  11.487 -18.743
  588    H    SER  72           H        SER  72   5.201   9.400 -19.335
  589    HA   SER  72           HA       SER  72   4.124   7.259 -21.128
  590   1HB   SER  72          2HB       SER  72   2.861   8.203 -18.970
  591   2HB   SER  72          1HB       SER  72   2.377   9.460 -20.104
  592    HG   SER  72           HG       SER  72   1.666   6.801 -19.971
  593   1HC   CH3  25          1H        LEU  25   0.974  -2.434 -10.889
  594   2HC   CH3  25          2H        LEU  25  -0.044  -3.518 -11.833
  595   3HC   CH3  25          3H        LEU  25  -0.627  -1.909 -11.408
   
  Start of MODEL          21
 Raw file had  595 H/Q atoms
  Start of MODEL   21
    1   1H    GLU   4          2H        GLU   4 -14.986  12.920  -3.088
    2   2H    GLU   4          1H        GLU   4 -15.088  12.522  -1.439
    3   3H    GLU   4          3H        GLU   4 -16.358  13.360  -2.190
    4    HA   GLU   4           HA       GLU   4 -15.090  15.320  -2.426
    5   1HB   GLU   4          2HB       GLU   4 -14.785  13.980   0.269
    6   2HB   GLU   4          1HB       GLU   4 -14.267  15.643  -0.008
    7   1HG   GLU   4          2HG       GLU   4 -17.047  14.735  -0.753
    8   2HG   GLU   4          1HG       GLU   4 -16.669  15.268   0.884
    9    H    LEU   5           H        LEU   5 -12.995  12.861  -0.847
   10    HA   LEU   5           HA       LEU   5 -10.603  14.288  -1.866
   11   1HB   LEU   5          2HB       LEU   5 -11.042  12.044   0.107
   12   2HB   LEU   5          1HB       LEU   5  -9.433  12.409  -0.518
   13    HG   LEU   5           HG       LEU   5 -10.132  14.895   0.155
   14   1HD1  LEU   5          1HD1      LEU   5 -11.916  13.080   1.767
   15   2HD1  LEU   5          3HD1      LEU   5 -11.342  14.601   2.450
   16   3HD1  LEU   5          2HD1      LEU   5 -12.313  14.607   0.978
   17   1HD2  LEU   5          2HD2      LEU   5  -8.221  13.460   1.014
   18   2HD2  LEU   5          1HD2      LEU   5  -8.878  14.600   2.187
   19   3HD2  LEU   5          3HD2      LEU   5  -9.313  12.893   2.278
   20    NH1  ARG   6           NH1      ARG   6  -8.684  11.097 -10.300
   21    NH2  ARG   6           NH2      ARG   6  -6.907  12.451 -10.685
   22    H    ARG   6           H        ARG   6  -8.859  12.916  -2.904
   23    HA   ARG   6           HA       ARG   6 -10.064  11.220  -4.970
   24   1HB   ARG   6          2HB       ARG   6  -7.491  12.604  -4.611
   25   2HB   ARG   6          1HB       ARG   6  -7.403  11.075  -5.476
   26   1HG   ARG   6          2HG       ARG   6  -9.518  12.074  -6.750
   27   2HG   ARG   6          1HG       ARG   6  -8.804  13.605  -6.241
   28   1HD   ARG   6          2HD       ARG   6  -6.767  13.157  -7.395
   29   2HD   ARG   6          1HD       ARG   6  -7.186  11.459  -7.625
   30    HE   ARG   6           HE       ARG   6  -8.873  13.540  -8.927
   31   1HH1  ARG   6          2HH1      ARG   6  -9.474  10.842  -9.742
   32   2HH1  ARG   6          1HH1      ARG   6  -8.463  10.572 -11.122
   33   1HH2  ARG   6          1HH2      ARG   6  -6.339  13.231 -10.421
   34   2HH2  ARG   6          2HH2      ARG   6  -6.685  11.927 -11.507
   35    H    CYS   7           H        CYS   7  -8.254  10.821  -2.056
   36    HA   CYS   7           HA       CYS   7  -7.245   8.187  -2.559
   37   1HB   CYS   7          2HB       CYS   7  -7.616   9.873  -0.139
   38   2HB   CYS   7          1HB       CYS   7  -7.457   8.140   0.109
   39    H    GLN   8           H        GLN   8  -8.472   6.392  -2.863
   40    HA   GLN   8           HA       GLN   8 -11.277   6.379  -1.953
   41   1HB   GLN   8          2HB       GLN   8  -9.611   4.612  -3.743
   42   2HB   GLN   8          1HB       GLN   8 -11.201   4.101  -3.182
   43   1HG   GLN   8          2HG       GLN   8 -11.874   6.552  -4.006
   44   2HG   GLN   8          1HG       GLN   8 -10.475   6.313  -5.053
   45   1HE2  GLN   8          2HE2      GLN   8 -13.840   4.737  -6.297
   46   2HE2  GLN   8          1HE2      GLN   8 -13.663   6.129  -5.340
   47    H    CYS   9           H        CYS   9  -8.656   5.935  -0.196
   48    HA   CYS   9           HA       CYS   9  -9.824   3.618   1.277
   49   1HB   CYS   9          2HB       CYS   9  -7.134   3.857   0.109
   50   2HB   CYS   9          1HB       CYS   9  -7.137   3.394   1.804
   51    H    ILE  10           H        ILE  10 -10.567   4.644   3.097
   52    HA   ILE  10           HA       ILE  10  -9.218   6.924   4.298
   53    HB   ILE  10           HB       ILE  10 -11.321   5.051   5.450
   54   1HG1  ILE  10          2HG1      ILE  10 -11.971   7.838   4.654
   55   2HG1  ILE  10          1HG1      ILE  10 -11.624   6.733   3.325
   56   1HG2  ILE  10          3HG2      ILE  10 -10.110   7.645   6.413
   57   2HG2  ILE  10          2HG2      ILE  10 -11.729   7.155   6.909
   58   3HG2  ILE  10          1HG2      ILE  10 -10.342   6.143   7.307
   59   1HD1  ILE  10          3HD1      ILE  10 -13.269   5.115   4.351
   60   2HD1  ILE  10          2HD1      ILE  10 -13.713   6.386   5.491
   61   3HD1  ILE  10          1HD1      ILE  10 -13.994   6.613   3.765
   62    H    LYS  11           H        LYS  11  -9.160   3.434   4.701
   63    HA   LYS  11           HA       LYS  11  -6.931   3.719   6.679
   64   1HB   LYS  11          2HB       LYS  11  -9.397   2.399   7.043
   65   2HB   LYS  11          1HB       LYS  11  -8.229   1.116   6.732
   66   1HG   LYS  11          2HG       LYS  11  -6.848   1.793   8.552
   67   2HG   LYS  11          1HG       LYS  11  -7.691   3.333   8.715
   68   1HD   LYS  11          2HD       LYS  11  -8.606   2.046  10.459
   69   2HD   LYS  11          1HD       LYS  11  -9.799   1.878   9.172
   70   1HE   LYS  11          2HE       LYS  11  -8.384  -0.217   8.484
   71   2HE   LYS  11          1HE       LYS  11  -7.766  -0.122  10.133
   72   1HZ   LYS  11          3HZ       LYS  11 -10.638  -0.262   9.385
   73   2HZ   LYS  11          2HZ       LYS  11  -9.711  -1.561   9.968
   74   3HZ   LYS  11          1HZ       LYS  11 -10.020  -0.220  10.965
   75    H    THR  12           H        THR  12  -5.026   2.922   5.850
   76    HA   THR  12           HA       THR  12  -5.147   1.411   3.317
   77    HB   THR  12           HB       THR  12  -2.477   1.627   3.899
   78    HG1  THR  12           HG1      THR  12  -2.734   2.895   5.681
   79   1HG2  THR  12          2HG2      THR  12  -4.391   3.449   2.451
   80   2HG2  THR  12          1HG2      THR  12  -2.642   3.667   2.383
   81   3HG2  THR  12          3HG2      THR  12  -3.371   2.179   1.775
   82    OH   TYR  13           OH       TYR  13  -3.221  -8.312   4.512
   83    H    TYR  13           H        TYR  13  -3.057  -0.191   3.245
   84    HA   TYR  13           HA       TYR  13  -3.795  -2.337   5.131
   85   1HB   TYR  13          2HB       TYR  13  -3.557  -2.527   2.536
   86   2HB   TYR  13          1HB       TYR  13  -1.831  -2.593   2.865
   87    HD1  TYR  13           HD2      TYR  13  -4.410  -3.950   5.142
   88    HD2  TYR  13           HD1      TYR  13  -1.477  -4.823   2.134
   89    HE1  TYR  13           HE2      TYR  13  -4.578  -6.372   5.689
   90    HE2  TYR  13           HE1      TYR  13  -1.644  -7.249   2.672
   91    HH   TYR  13           HH       TYR  13  -2.398  -8.588   4.920
   92    H    SER  14           H        SER  14  -2.577  -2.718   6.895
   93    HA   SER  14           HA       SER  14   0.186  -1.614   7.028
   94   1HB   SER  14          2HB       SER  14  -1.552  -1.176   8.864
   95   2HB   SER  14          1HB       SER  14  -1.386  -2.878   9.284
   96    HG   SER  14           HG       SER  14   0.107  -0.950  10.126
   97    H    LYS  15           H        LYS  15  -1.625  -4.656   7.209
   98    HA   LYS  15           HA       LYS  15   0.672  -6.257   7.940
   99   1HB   LYS  15          2HB       LYS  15  -1.474  -7.563   6.386
  100   2HB   LYS  15          1HB       LYS  15  -0.724  -8.060   7.883
  101   1HG   LYS  15          2HG       LYS  15  -2.016  -5.915   8.819
  102   2HG   LYS  15          1HG       LYS  15  -3.078  -6.282   7.460
  103   1HD   LYS  15          2HD       LYS  15  -2.215  -8.386   9.454
  104   2HD   LYS  15          1HD       LYS  15  -3.665  -7.409   9.682
  105   1HE   LYS  15          2HE       LYS  15  -4.244  -8.167   7.239
  106   2HE   LYS  15          1HE       LYS  15  -3.083  -9.456   7.555
  107   1HZ   LYS  15          3HZ       LYS  15  -4.351  -9.993   9.580
  108   2HZ   LYS  15          2HZ       LYS  15  -5.507  -8.824   9.150
  109   3HZ   LYS  15          1HZ       LYS  15  -5.267 -10.186   8.165
  110    HA   PRO  16           HA       PRO  16   2.464  -6.346   3.911
  111   1HB   PRO  16          2HB       PRO  16   4.418  -8.162   4.513
  112   2HB   PRO  16          1HB       PRO  16   4.463  -6.481   5.027
  113   1HG   PRO  16          2HG       PRO  16   3.946  -8.908   6.652
  114   2HG   PRO  16          1HG       PRO  16   4.502  -7.310   7.175
  115   1HD   PRO  16          2HD       PRO  16   1.837  -8.362   7.360
  116   2HD   PRO  16          1HD       PRO  16   2.370  -6.721   7.772
  117    H    PHE  17           H        PHE  17   2.849  -7.852   2.134
  118    HA   PHE  17           HA       PHE  17   2.041 -10.640   2.367
  119   1HB   PHE  17          2HB       PHE  17   0.041 -10.607   1.076
  120   2HB   PHE  17          1HB       PHE  17  -0.156  -9.339   2.277
  121    HD1  PHE  17           HD1      PHE  17   0.488  -6.913   1.555
  122    HD2  PHE  17           HD2      PHE  17  -0.206 -10.134  -1.203
  123    HE1  PHE  17           HE1      PHE  17   0.093  -5.274  -0.265
  124    HE2  PHE  17           HE2      PHE  17  -0.596  -8.495  -3.019
  125    HZ   PHE  17           HZ       PHE  17  -0.448  -6.066  -2.550
  126    H    HIS  18           H        HIS  18   2.298 -11.802   0.279
  127    HA   HIS  18           HA       HIS  18   4.637 -10.905  -1.135
  128   1HB   HIS  18          2HB       HIS  18   4.343 -13.233  -0.819
  129   2HB   HIS  18          1HB       HIS  18   2.727 -13.191  -1.512
  130    HD1  HIS  18           HD1      HIS  18   6.358 -13.164  -2.478
  131    HD2  HIS  18           HD2      HIS  18   2.631 -13.000  -4.272
  132    HE1  HIS  18           HE1      HIS  18   6.736 -13.469  -4.975
  133    HA   PRO  19           HA       PRO  19   2.772  -8.311  -4.145
  134   1HB   PRO  19          2HB       PRO  19   4.958  -8.022  -5.762
  135   2HB   PRO  19          1HB       PRO  19   4.767  -7.218  -4.195
  136   1HG   PRO  19          2HG       PRO  19   6.470  -9.562  -4.908
  137   2HG   PRO  19          1HG       PRO  19   6.716  -8.338  -3.652
  138   1HD   PRO  19          2HD       PRO  19   5.741 -10.948  -3.231
  139   2HD   PRO  19          1HD       PRO  19   5.642  -9.611  -2.072
  140    H    LYS  20           H        LYS  20   4.613 -11.071  -5.572
  141    HA   LYS  20           HA       LYS  20   3.749 -10.821  -8.201
  142   1HB   LYS  20          2HB       LYS  20   5.291 -12.618  -7.141
  143   2HB   LYS  20          1HB       LYS  20   3.808 -13.553  -7.065
  144   1HG   LYS  20          2HG       LYS  20   3.474 -13.376  -9.449
  145   2HG   LYS  20          1HG       LYS  20   4.803 -12.225  -9.591
  146   1HD   LYS  20          2HD       LYS  20   6.351 -14.013  -8.728
  147   2HD   LYS  20          1HD       LYS  20   5.005 -15.149  -8.814
  148   1HE   LYS  20          2HE       LYS  20   4.841 -14.924 -11.189
  149   2HE   LYS  20          1HE       LYS  20   5.905 -13.516 -11.199
  150   1HZ   LYS  20          2HZ       LYS  20   6.709 -16.265 -10.404
  151   2HZ   LYS  20          1HZ       LYS  20   7.051 -15.538 -11.900
  152   3HZ   LYS  20          3HZ       LYS  20   7.727 -14.906 -10.479
  153    H    PHE  21           H        PHE  21   1.761 -11.854  -5.490
  154    HA   PHE  21           HA       PHE  21  -0.369 -13.075  -6.947
  155   1HB   PHE  21          2HB       PHE  21  -0.647 -11.374  -4.498
  156   2HB   PHE  21          1HB       PHE  21  -1.762 -12.597  -5.044
  157    HD1  PHE  21           HD1      PHE  21   0.534 -14.605  -5.847
  158    HD2  PHE  21           HD2      PHE  21  -0.345 -12.338  -2.303
  159    HE1  PHE  21           HE1      PHE  21   1.726 -16.286  -4.466
  160    HE2  PHE  21           HE2      PHE  21   0.847 -14.016  -0.929
  161    HZ   PHE  21           HZ       PHE  21   1.882 -15.994  -2.011
  162    H    ILE  22           H        ILE  22   0.329  -9.736  -6.059
  163    HA   ILE  22           HA       ILE  22  -2.012  -8.459  -7.002
  164    HB   ILE  22           HB       ILE  22   0.861  -7.484  -6.919
  165   1HG1  ILE  22          2HG1      ILE  22   0.103  -8.022  -4.709
  166   2HG1  ILE  22          1HG1      ILE  22  -0.038  -6.273  -4.865
  167   1HG2  ILE  22          2HG2      ILE  22  -1.693  -6.137  -7.677
  168   2HG2  ILE  22          1HG2      ILE  22  -0.516  -5.218  -6.741
  169   3HG2  ILE  22          3HG2      ILE  22  -0.065  -5.892  -8.305
  170   1HD1  ILE  22          3HD1      ILE  22  -2.467  -6.660  -5.550
  171   2HD1  ILE  22          2HD1      ILE  22  -2.253  -8.329  -5.024
  172   3HD1  ILE  22          1HD1      ILE  22  -2.083  -7.012  -3.866
  173    H    LYS  23           H        LYS  23  -2.832  -8.350  -8.999
  174    HA   LYS  23           HA       LYS  23  -1.121  -8.979 -11.331
  175   1HB   LYS  23          2HB       LYS  23  -3.699  -9.675 -10.740
  176   2HB   LYS  23          1HB       LYS  23  -3.960  -8.265 -11.767
  177   1HG   LYS  23          2HG       LYS  23  -2.758  -9.234 -13.581
  178   2HG   LYS  23          1HG       LYS  23  -2.075 -10.493 -12.553
  179   1HD   LYS  23          2HD       LYS  23  -4.488 -11.264 -12.152
  180   2HD   LYS  23          1HD       LYS  23  -4.931 -10.213 -13.499
  181   1HE   LYS  23          2HE       LYS  23  -2.889 -11.500 -14.664
  182   2HE   LYS  23          1HE       LYS  23  -3.356 -12.748 -13.509
  183   1HZ   LYS  23          3HZ       LYS  23  -5.634 -12.587 -14.339
  184   2HZ   LYS  23          2HZ       LYS  23  -5.145 -11.428 -15.482
  185   3HZ   LYS  23          1HZ       LYS  23  -4.552 -13.017 -15.572
  186    H    GLU  24           H        GLU  24  -2.619  -6.252  -9.740
  187    HA   GLU  24           HA       GLU  24  -1.456  -4.466 -11.815
  188   1HB   GLU  24          2HB       GLU  24  -4.331  -4.494 -10.888
  189   2HB   GLU  24          1HB       GLU  24  -3.594  -3.039 -11.556
  190   1HG   GLU  24          2HG       GLU  24  -2.917  -4.422 -13.569
  191   2HG   GLU  24          1HG       GLU  24  -3.918  -5.722 -12.923
  192    HA   LEU  25           HA       LEU  25  -0.793  -2.501  -7.815
  193   1HB   LEU  25          2HB       LEU  25   1.147  -3.869  -7.566
  194   2HB   LEU  25          1HB       LEU  25   1.935  -3.139  -8.963
  195    HG   LEU  25           HG       LEU  25   1.213  -1.154  -6.934
  196   1HD1  LEU  25          2HD1      LEU  25   1.935  -3.499  -5.772
  197   2HD1  LEU  25          1HD1      LEU  25   3.520  -2.774  -6.039
  198   3HD1  LEU  25          3HD1      LEU  25   2.307  -1.915  -5.090
  199   1HD2  LEU  25          2HD2      LEU  25   3.229  -1.681  -8.914
  200   2HD2  LEU  25          1HD2      LEU  25   2.904  -0.176  -8.057
  201   3HD2  LEU  25          3HD2      LEU  25   4.021  -1.357  -7.373
  202    NH1  ARG  26           NH2      ARG  26  -5.904   0.053  -9.900
  203    NH2  ARG  26           NH1      ARG  26  -6.102  -1.349 -11.670
  204    H    ARG  26           H        ARG  26  -1.680  -0.461  -8.253
  205    HA   ARG  26           HA       ARG  26   0.151   1.395  -9.678
  206   1HB   ARG  26          2HB       ARG  26  -2.841   1.577  -9.638
  207   2HB   ARG  26          1HB       ARG  26  -1.755   2.598 -10.561
  208   1HG   ARG  26          2HG       ARG  26  -2.147   1.112 -12.242
  209   2HG   ARG  26          1HG       ARG  26  -0.978   0.106 -11.386
  210   1HD   ARG  26          2HD       ARG  26  -2.780  -1.361 -11.582
  211   2HD   ARG  26          1HD       ARG  26  -3.084  -0.653  -9.995
  212    HE   ARG  26           HE       ARG  26  -4.371   0.755 -12.230
  213   1HH1  ARG  26          1HH2      ARG  26  -5.403   0.771  -9.415
  214   2HH1  ARG  26          2HH2      ARG  26  -6.753  -0.309  -9.515
  215   1HH2  ARG  26          2HH1      ARG  26  -5.753  -1.703 -12.538
  216   2HH2  ARG  26          1HH1      ARG  26  -6.952  -1.714 -11.289
  217    H    VAL  27           H        VAL  27   0.824   3.107  -8.453
  218    HA   VAL  27           HA       VAL  27  -0.568   3.620  -5.879
  219    HB   VAL  27           HB       VAL  27   1.527   4.907  -5.349
  220   1HG1  VAL  27          3HG1      VAL  27   1.148   2.482  -4.766
  221   2HG1  VAL  27          2HG1      VAL  27   2.067   2.060  -6.209
  222   3HG1  VAL  27          1HG1      VAL  27   2.843   2.946  -4.897
  223   1HG2  VAL  27          2HG2      VAL  27   2.072   5.226  -7.854
  224   2HG2  VAL  27          1HG2      VAL  27   3.416   4.842  -6.780
  225   3HG2  VAL  27          3HG2      VAL  27   2.709   3.582  -7.791
  226    H    ILE  28           H        ILE  28  -1.347   5.699  -5.360
  227    HA   ILE  28           HA       ILE  28  -1.585   7.561  -7.685
  228    HB   ILE  28           HB       ILE  28  -3.194   7.421  -5.110
  229   1HG1  ILE  28          2HG1      ILE  28  -3.918   6.705  -7.975
  230   2HG1  ILE  28          1HG1      ILE  28  -3.609   5.544  -6.684
  231   1HG2  ILE  28          2HG2      ILE  28  -3.504   9.158  -7.583
  232   2HG2  ILE  28          1HG2      ILE  28  -4.670   9.065  -6.264
  233   3HG2  ILE  28          3HG2      ILE  28  -3.057   9.716  -5.971
  234   1HD1  ILE  28          3HD1      ILE  28  -5.483   6.582  -5.377
  235   2HD1  ILE  28          2HD1      ILE  28  -5.840   7.596  -6.775
  236   3HD1  ILE  28          1HD1      ILE  28  -6.011   5.845  -6.890
  237    H    GLU  29           H        GLU  29  -0.858   9.694  -7.507
  238    HA   GLU  29           HA       GLU  29   1.193  10.228  -5.535
  239   1HB   GLU  29          2HB       GLU  29  -0.074  11.799  -7.764
  240   2HB   GLU  29          1HB       GLU  29   1.001  12.595  -6.623
  241   1HG   GLU  29          2HG       GLU  29   1.896  10.019  -7.859
  242   2HG   GLU  29          1HG       GLU  29   1.967  11.489  -8.831
  243    H    SER  30           H        SER  30   1.062  12.587  -4.486
  244    HA   SER  30           HA       SER  30  -1.513  12.679  -2.975
  245   1HB   SER  30          2HB       SER  30   0.108  14.107  -1.406
  246   2HB   SER  30          1HB       SER  30   0.031  12.354  -1.302
  247    HG   SER  30           HG       SER  30   2.002  14.025  -2.349
  248    H    GLY  31           H        GLY  31  -2.260  14.831  -2.328
  249   1HA   GLY  31          2HA       GLY  31  -1.205  17.271  -3.385
  250   2HA   GLY  31          1HA       GLY  31  -2.452  16.674  -4.473
  251    HA   PRO  32           HA       PRO  32  -4.787  18.987  -1.283
  252   1HB   PRO  32          2HB       PRO  32  -6.599  20.014  -3.088
  253   2HB   PRO  32          1HB       PRO  32  -5.059  20.799  -2.696
  254   1HG   PRO  32          2HG       PRO  32  -5.813  19.252  -5.139
  255   2HG   PRO  32          1HG       PRO  32  -4.643  20.570  -4.963
  256   1HD   PRO  32          2HD       PRO  32  -3.995  17.838  -5.139
  257   2HD   PRO  32          1HD       PRO  32  -2.911  19.115  -4.548
  258    H    HIS  33           H        HIS  33  -5.739  16.922  -3.951
  259    HA   HIS  33           HA       HIS  33  -8.374  16.206  -3.132
  260   1HB   HIS  33          2HB       HIS  33  -7.980  14.172  -4.571
  261   2HB   HIS  33          1HB       HIS  33  -7.647  15.688  -5.386
  262    HD1  HIS  33           HD1      HIS  33  -5.093  16.318  -5.740
  263    HD2  HIS  33           HD2      HIS  33  -5.717  12.506  -4.171
  264    HE1  HIS  33           HE1      HIS  33  -2.855  15.138  -5.821
  265    H    CYS  34           H        CYS  34  -5.208  14.739  -2.386
  266    HA   CYS  34           HA       CYS  34  -6.490  13.322  -0.138
  267   1HB   CYS  34          2HB       CYS  34  -6.141  11.665  -1.956
  268   2HB   CYS  34          1HB       CYS  34  -4.432  12.113  -2.007
  269    H    ALA  35           H        ALA  35  -5.394  13.603   1.755
  270    HA   ALA  35           HA       ALA  35  -3.332  15.479   2.066
  271   1HB   ALA  35          2HB       ALA  35  -4.256  13.200   3.803
  272   2HB   ALA  35          1HB       ALA  35  -2.947  14.267   4.310
  273   3HB   ALA  35          3HB       ALA  35  -4.553  14.926   4.003
  274    H    ASN  36           H        ASN  36  -2.802  11.963   2.560
  275    HA   ASN  36           HA       ASN  36   0.045  12.414   1.792
  276   1HB   ASN  36          2HB       ASN  36  -1.358  10.535   3.634
  277   2HB   ASN  36          1HB       ASN  36   0.106   9.956   2.842
  278   1HD2  ASN  36          2HD2      ASN  36   2.265  11.972   4.788
  279   2HD2  ASN  36          1HD2      ASN  36   2.133  10.838   3.532
  280    H    THR  37           H        THR  37   1.077  10.373   0.773
  281    HA   THR  37           HA       THR  37  -0.295   9.806  -1.725
  282    HB   THR  37           HB       THR  37   2.131   8.324  -0.690
  283    HG1  THR  37           HG1      THR  37   2.068  10.884  -1.916
  284   1HG2  THR  37          1HG2      THR  37   1.116   7.620  -2.844
  285   2HG2  THR  37          3HG2      THR  37   1.319   9.263  -3.456
  286   3HG2  THR  37          2HG2      THR  37   2.734   8.287  -3.063
  287    H    GLU  38           H        GLU  38  -1.018   7.679  -2.442
  288    HA   GLU  38           HA       GLU  38  -1.411   5.671  -0.267
  289   1HB   GLU  38          2HB       GLU  38  -3.444   7.207  -0.643
  290   2HB   GLU  38          1HB       GLU  38  -3.619   6.396  -2.198
  291   1HG   GLU  38          2HG       GLU  38  -4.304   4.428  -1.250
  292   2HG   GLU  38          1HG       GLU  38  -3.261   4.624   0.160
  293    H    ILE  39           H        ILE  39  -1.006   3.602  -0.953
  294    HA   ILE  39           HA       ILE  39  -0.398   3.205  -3.836
  295    HB   ILE  39           HB       ILE  39   0.038   1.511  -1.355
  296   1HG1  ILE  39          2HG1      ILE  39   2.383   2.026  -2.921
  297   2HG1  ILE  39          1HG1      ILE  39   1.537   3.554  -2.675
  298   1HG2  ILE  39          3HG2      ILE  39   0.665   0.862  -4.253
  299   2HG2  ILE  39          2HG2      ILE  39   1.279  -0.044  -2.870
  300   3HG2  ILE  39          1HG2      ILE  39  -0.451  -0.009  -3.202
  301   1HD1  ILE  39          1HD1      ILE  39   1.635   1.893  -0.258
  302   2HD1  ILE  39          3HD1      ILE  39   3.231   2.355  -0.848
  303   3HD1  ILE  39          2HD1      ILE  39   2.038   3.597  -0.467
  304    H    ILE  40           H        ILE  40  -1.392   1.293  -4.969
  305    HA   ILE  40           HA       ILE  40  -3.843   0.203  -3.723
  306    HB   ILE  40           HB       ILE  40  -3.975   1.648  -6.388
  307   1HG1  ILE  40          2HG1      ILE  40  -5.302   2.421  -3.774
  308   2HG1  ILE  40          1HG1      ILE  40  -3.781   3.123  -4.319
  309   1HG2  ILE  40          2HG2      ILE  40  -6.003   0.174  -4.683
  310   2HG2  ILE  40          1HG2      ILE  40  -6.453   1.233  -6.020
  311   3HG2  ILE  40          3HG2      ILE  40  -5.500  -0.218  -6.327
  312   1HD1  ILE  40          1HD1      ILE  40  -4.875   3.876  -6.404
  313   2HD1  ILE  40          3HD1      ILE  40  -6.402   3.195  -5.841
  314   3HD1  ILE  40          2HD1      ILE  40  -5.672   4.550  -4.982
  315    H    VAL  41           H        VAL  41  -3.158  -1.898  -3.918
  316    HA   VAL  41           HA       VAL  41  -2.216  -2.847  -6.559
  317    HB   VAL  41           HB       VAL  41  -1.519  -4.860  -5.364
  318   1HG1  VAL  41          1HG1      VAL  41  -0.703  -2.324  -3.931
  319   2HG1  VAL  41          3HG1      VAL  41   0.180  -3.850  -3.876
  320   3HG1  VAL  41          2HG1      VAL  41   0.034  -2.969  -5.397
  321   1HG2  VAL  41          3HG2      VAL  41  -3.063  -3.597  -3.131
  322   2HG2  VAL  41          2HG2      VAL  41  -3.068  -5.271  -3.673
  323   3HG2  VAL  41          1HG2      VAL  41  -1.703  -4.646  -2.748
  324    H    LYS  42           H        LYS  42  -3.100  -5.054  -7.202
  325    HA   LYS  42           HA       LYS  42  -5.938  -5.411  -6.368
  326   1HB   LYS  42          2HB       LYS  42  -5.022  -4.465  -8.906
  327   2HB   LYS  42          1HB       LYS  42  -5.668  -6.090  -9.138
  328   1HG   LYS  42          2HG       LYS  42  -7.743  -5.436  -7.972
  329   2HG   LYS  42          1HG       LYS  42  -7.101  -3.807  -7.748
  330   1HD   LYS  42          2HD       LYS  42  -7.423  -3.229  -9.940
  331   2HD   LYS  42          1HD       LYS  42  -7.066  -4.852 -10.529
  332   1HE   LYS  42          2HE       LYS  42  -9.568  -4.402  -8.934
  333   2HE   LYS  42          1HE       LYS  42  -9.535  -3.925 -10.632
  334   1HZ   LYS  42          3HZ       LYS  42  -8.878  -6.627  -9.583
  335   2HZ   LYS  42          2HZ       LYS  42 -10.322  -6.193 -10.365
  336   3HZ   LYS  42          1HZ       LYS  42  -8.851  -6.167 -11.215
  337    H    LEU  43           H        LEU  43  -5.487  -7.294  -5.195
  338    HA   LEU  43           HA       LEU  43  -3.720  -9.366  -5.802
  339   1HB   LEU  43          2HB       LEU  43  -6.391  -9.368  -4.417
  340   2HB   LEU  43          1HB       LEU  43  -5.435 -10.827  -4.568
  341    HG   LEU  43           HG       LEU  43  -4.291  -8.271  -3.430
  342   1HD1  LEU  43          3HD1      LEU  43  -5.797 -10.508  -2.072
  343   2HD1  LEU  43          2HD1      LEU  43  -4.609  -9.540  -1.201
  344   3HD1  LEU  43          1HD1      LEU  43  -6.031  -8.769  -1.902
  345   1HD2  LEU  43          2HD2      LEU  43  -2.955 -10.396  -4.328
  346   2HD2  LEU  43          1HD2      LEU  43  -2.450  -9.562  -2.859
  347   3HD2  LEU  43          3HD2      LEU  43  -3.392 -11.047  -2.749
  348    H    SER  44           H        SER  44  -3.825 -11.230  -7.008
  349    HA   SER  44           HA       SER  44  -5.243 -11.250  -9.446
  350   1HB   SER  44          2HB       SER  44  -3.518 -13.137  -7.974
  351   2HB   SER  44          1HB       SER  44  -4.630 -13.883  -9.117
  352    HG   SER  44           HG       SER  44  -2.401 -12.377  -9.560
  353    H    ASP  45           H        ASP  45  -6.217 -12.412  -6.287
  354    HA   ASP  45           HA       ASP  45  -8.275 -14.184  -7.232
  355   1HB   ASP  45          2HB       ASP  45  -9.186 -13.840  -4.825
  356   2HB   ASP  45          1HB       ASP  45  -7.628 -14.638  -5.021
  357    H    GLY  46           H        GLY  46  -8.058 -10.863  -7.493
  358   1HA   GLY  46          2HA       GLY  46  -9.769  -9.525  -8.512
  359   2HA   GLY  46          1HA       GLY  46 -10.982 -10.639  -7.884
  360    NH1  ARG  47           NH1      ARG  47 -10.442  -9.438   1.247
  361    NH2  ARG  47           NH2      ARG  47 -12.508  -9.717   0.356
  362    H    ARG  47           H        ARG  47  -8.342  -9.246  -5.961
  363    HA   ARG  47           HA       ARG  47 -10.441  -7.800  -4.375
  364   1HB   ARG  47          2HB       ARG  47  -9.201  -9.764  -3.295
  365   2HB   ARG  47          1HB       ARG  47  -7.765  -8.745  -3.332
  366   1HG   ARG  47          2HG       ARG  47  -8.772  -8.464  -1.165
  367   2HG   ARG  47          1HG       ARG  47  -9.106  -6.993  -2.076
  368   1HD   ARG  47          2HD       ARG  47 -11.358  -7.579  -2.438
  369   2HD   ARG  47          1HD       ARG  47 -11.062  -9.284  -2.098
  370    HE   ARG  47           HE       ARG  47 -11.246  -7.136  -0.039
  371   1HH1  ARG  47          2HH1      ARG  47  -9.575  -8.940   1.285
  372   2HH1  ARG  47          1HH1      ARG  47 -10.595 -10.217   1.854
  373   1HH2  ARG  47          1HH2      ARG  47 -13.220  -9.433  -0.288
  374   2HH2  ARG  47          2HH2      ARG  47 -12.666 -10.498   0.962
  375    H    GLU  48           H        GLU  48  -9.737  -5.766  -3.380
  376    HA   GLU  48           HA       GLU  48  -7.405  -4.483  -4.747
  377   1HB   GLU  48          2HB       GLU  48  -9.747  -3.774  -5.609
  378   2HB   GLU  48          1HB       GLU  48  -9.933  -2.976  -4.046
  379   1HG   GLU  48          2HG       GLU  48  -8.008  -1.584  -4.438
  380   2HG   GLU  48          1HG       GLU  48  -7.564  -2.503  -5.875
  381    H    LEU  49           H        LEU  49  -5.952  -3.989  -3.183
  382    HA   LEU  49           HA       LEU  49  -7.003  -3.093  -0.520
  383   1HB   LEU  49          2HB       LEU  49  -5.232  -5.314  -1.177
  384   2HB   LEU  49          1HB       LEU  49  -4.453  -4.158  -0.097
  385    HG   LEU  49           HG       LEU  49  -6.703  -4.269   1.233
  386   1HD1  LEU  49          1HD1      LEU  49  -6.745  -6.857  -0.348
  387   2HD1  LEU  49          3HD1      LEU  49  -7.757  -6.520   1.056
  388   3HD1  LEU  49          2HD1      LEU  49  -7.952  -5.573  -0.420
  389   1HD2  LEU  49          3HD2      LEU  49  -4.331  -5.228   1.757
  390   2HD2  LEU  49          2HD2      LEU  49  -5.709  -5.854   2.662
  391   3HD2  LEU  49          1HD2      LEU  49  -5.038  -6.782   1.318
  392    H    CYS  50           H        CYS  50  -6.301  -1.037  -0.095
  393    HA   CYS  50           HA       CYS  50  -4.135   0.112  -1.694
  394   1HB   CYS  50          2HB       CYS  50  -5.326   1.473   0.646
  395   2HB   CYS  50          1HB       CYS  50  -4.747   2.170  -0.842
  396    H    LEU  51           H        LEU  51  -2.061   0.465  -0.931
  397    HA   LEU  51           HA       LEU  51  -1.421  -0.841   1.627
  398   1HB   LEU  51          2HB       LEU  51   0.288  -0.090  -0.727
  399   2HB   LEU  51          1HB       LEU  51   0.937  -0.718   0.767
  400    HG   LEU  51           HG       LEU  51  -0.669  -2.690   0.482
  401   1HD1  LEU  51          3HD1      LEU  51  -1.049  -1.232  -2.092
  402   2HD1  LEU  51          2HD1      LEU  51  -1.065  -2.994  -2.109
  403   3HD1  LEU  51          1HD1      LEU  51  -2.220  -2.112  -1.114
  404   1HD2  LEU  51          1HD2      LEU  51   1.725  -2.099  -1.224
  405   2HD2  LEU  51          3HD2      LEU  51   1.547  -3.270   0.080
  406   3HD2  LEU  51          2HD2      LEU  51   0.835  -3.596  -1.499
  407    H    ASP  52           H        ASP  52   0.168   0.064   2.987
  408    HA   ASP  52           HA       ASP  52   0.014   3.037   3.155
  409   1HB   ASP  52          2HB       ASP  52  -0.895   1.393   5.000
  410   2HB   ASP  52          1HB       ASP  52   0.804   1.232   5.434
  411    HA   PRO  53           HA       PRO  53   4.380   2.731   2.197
  412   1HB   PRO  53          2HB       PRO  53   4.795   5.458   2.163
  413   2HB   PRO  53          1HB       PRO  53   4.152   4.529   0.798
  414   1HG   PRO  53          2HG       PRO  53   2.698   6.302   2.721
  415   2HG   PRO  53          1HG       PRO  53   2.332   5.945   1.022
  416   1HD   PRO  53          2HD       PRO  53   1.002   4.813   3.205
  417   2HD   PRO  53          1HD       PRO  53   1.022   4.131   1.566
  418    H    LYS  54           H        LYS  54   2.879   3.743   5.073
  419    HA   LYS  54           HA       LYS  54   5.028   4.906   6.509
  420   1HB   LYS  54          2HB       LYS  54   2.381   3.984   7.080
  421   2HB   LYS  54          1HB       LYS  54   3.473   3.304   8.283
  422   1HG   LYS  54          2HG       LYS  54   4.384   5.573   8.715
  423   2HG   LYS  54          1HG       LYS  54   3.240   6.239   7.550
  424   1HD   LYS  54          2HD       LYS  54   1.876   4.540   9.469
  425   2HD   LYS  54          1HD       LYS  54   2.785   5.808  10.291
  426   1HE   LYS  54          2HE       LYS  54   1.737   7.473   8.708
  427   2HE   LYS  54          1HE       LYS  54   0.706   6.170   8.116
  428   1HZ   LYS  54          1HZ       LYS  54   0.872   7.084  10.938
  429   2HZ   LYS  54          3HZ       LYS  54  -0.376   7.463   9.857
  430   3HZ   LYS  54          2HZ       LYS  54  -0.141   5.855  10.346
  431    H    GLU  55           H        GLU  55   4.289   1.548   5.676
  432    HA   GLU  55           HA       GLU  55   6.334   0.515   7.535
  433   1HB   GLU  55          2HB       GLU  55   4.393  -0.714   5.601
  434   2HB   GLU  55          1HB       GLU  55   5.759  -1.648   6.161
  435   1HG   GLU  55          2HG       GLU  55   4.588  -0.363   8.418
  436   2HG   GLU  55          1HG       GLU  55   3.311  -1.178   7.524
  437    H    ASN  56           H        ASN  56   7.920  -1.085   6.474
  438    HA   ASN  56           HA       ASN  56   9.248   0.313   4.220
  439   1HB   ASN  56          2HB       ASN  56  10.159  -1.026   6.562
  440   2HB   ASN  56          1HB       ASN  56  10.822  -1.831   5.145
  441   1HD2  ASN  56          2HD2      ASN  56  11.805   2.117   5.786
  442   2HD2  ASN  56          1HD2      ASN  56  10.362   1.512   6.444
  443    CH2  TRP  57           CH2      TRP  57   1.580  -4.410   2.405
  444    H    TRP  57           H        TRP  57   7.378  -2.488   4.895
  445    HA   TRP  57           HA       TRP  57   8.436  -4.089   2.738
  446   1HB   TRP  57          2HB       TRP  57   6.775  -5.687   3.337
  447   2HB   TRP  57          1HB       TRP  57   7.352  -5.003   4.827
  448    HD1  TRP  57           HD1      TRP  57   5.674  -3.784   6.304
  449    HE1  TRP  57           HE1      TRP  57   3.134  -3.440   6.206
  450    HE3  TRP  57           HE3      TRP  57   4.767  -5.224   1.510
  451    HZ2  TRP  57           HZ2      TRP  57   0.990  -3.683   4.343
  452    HZ3  TRP  57           HZ3      TRP  57   2.475  -5.136   0.594
  453    HH2  TRP  57           HH2      TRP  57   0.581  -4.377   1.997
  454    H    VAL  58           H        VAL  58   5.690  -1.918   3.220
  455    HA   VAL  58           HA       VAL  58   4.390  -2.481   0.714
  456    HB   VAL  58           HB       VAL  58   4.343  -0.222   2.686
  457   1HG1  VAL  58          3HG1      VAL  58   3.231  -0.153  -0.115
  458   2HG1  VAL  58          2HG1      VAL  58   2.506   0.788   1.187
  459   3HG1  VAL  58          1HG1      VAL  58   4.180   1.079   0.716
  460   1HG2  VAL  58          3HG2      VAL  58   2.482  -2.327   1.678
  461   2HG2  VAL  58          2HG2      VAL  58   2.874  -1.879   3.337
  462   3HG2  VAL  58          1HG2      VAL  58   1.811  -0.855   2.376
  463    H    GLN  59           H        GLN  59   6.838  -0.060   1.662
  464    HA   GLN  59           HA       GLN  59   7.019   1.063  -0.989
  465   1HB   GLN  59          2HB       GLN  59   8.942   2.290  -0.111
  466   2HB   GLN  59          1HB       GLN  59   7.576   2.390   0.991
  467   1HG   GLN  59          2HG       GLN  59   8.517   0.538   2.305
  468   2HG   GLN  59          1HG       GLN  59   9.896   0.474   1.218
  469   1HE2  GLN  59          2HE2      GLN  59  11.599   2.926   3.077
  470   2HE2  GLN  59          1HE2      GLN  59  11.678   1.531   2.115
  471    NH1  ARG  60           NH1      ARG  60  15.740  -2.055   1.708
  472    NH2  ARG  60           NH2      ARG  60  16.105  -4.277   1.443
  473    H    ARG  60           H        ARG  60   8.654  -1.546   0.708
  474    HA   ARG  60           HA       ARG  60  10.771  -1.808  -1.300
  475   1HB   ARG  60          2HB       ARG  60   9.900  -3.360   1.121
  476   2HB   ARG  60          1HB       ARG  60  10.924  -4.153  -0.072
  477   1HG   ARG  60          2HG       ARG  60  11.872  -1.465   0.568
  478   2HG   ARG  60          1HG       ARG  60  11.802  -2.501   1.992
  479   1HD   ARG  60          2HD       ARG  60  12.874  -4.128  -0.032
  480   2HD   ARG  60          1HD       ARG  60  13.674  -2.568  -0.225
  481    HE   ARG  60           HE       ARG  60  13.586  -3.852   2.467
  482   1HH1  ARG  60          2HH1      ARG  60  15.107  -1.289   1.829
  483   2HH1  ARG  60          1HH1      ARG  60  16.725  -1.887   1.670
  484   1HH2  ARG  60          1HH2      ARG  60  15.752  -5.209   1.363
  485   2HH2  ARG  60          2HH2      ARG  60  17.090  -4.111   1.406
  486    H    VAL  61           H        VAL  61   7.652  -3.313  -0.537
  487    HA   VAL  61           HA       VAL  61   7.756  -5.381  -2.520
  488    HB   VAL  61           HB       VAL  61   5.556  -3.985  -1.006
  489   1HG1  VAL  61          2HG1      VAL  61   5.288  -5.714  -3.423
  490   2HG1  VAL  61          1HG1      VAL  61   4.154  -5.966  -2.096
  491   3HG1  VAL  61          3HG1      VAL  61   4.266  -4.386  -2.872
  492   1HG2  VAL  61          3HG2      VAL  61   6.976  -5.733   0.069
  493   2HG2  VAL  61          2HG2      VAL  61   5.277  -6.197  -0.017
  494   3HG2  VAL  61          1HG2      VAL  61   6.438  -6.882  -1.155
  495    H    VAL  62           H        VAL  62   6.627  -2.011  -2.630
  496    HA   VAL  62           HA       VAL  62   5.553  -2.135  -5.296
  497    HB   VAL  62           HB       VAL  62   6.619   0.173  -3.636
  498   1HG1  VAL  62          1HG1      VAL  62   5.317   0.174  -6.374
  499   2HG1  VAL  62          3HG1      VAL  62   5.403   1.603  -5.343
  500   3HG1  VAL  62          2HG1      VAL  62   6.885   0.850  -5.930
  501   1HG2  VAL  62          3HG2      VAL  62   4.345  -1.251  -3.289
  502   2HG2  VAL  62          2HG2      VAL  62   4.452   0.474  -2.941
  503   3HG2  VAL  62          1HG2      VAL  62   3.773  -0.076  -4.474
  504    H    GLU  63           H        GLU  63   8.769  -1.164  -4.048
  505    HA   GLU  63           HA       GLU  63   9.893  -0.577  -6.603
  506   1HB   GLU  63          2HB       GLU  63  10.820  -0.740  -3.868
  507   2HB   GLU  63          1HB       GLU  63  11.982  -1.504  -4.952
  508   1HG   GLU  63          2HG       GLU  63  10.795   1.179  -5.637
  509   2HG   GLU  63          1HG       GLU  63  12.175   1.062  -4.544
  510    H    LYS  64           H        LYS  64   9.983  -3.555  -4.612
  511    HA   LYS  64           HA       LYS  64  11.546  -5.094  -6.413
  512   1HB   LYS  64          2HB       LYS  64  10.762  -5.601  -3.964
  513   2HB   LYS  64          1HB       LYS  64   9.365  -6.331  -4.755
  514   1HG   LYS  64          2HG       LYS  64  10.609  -8.033  -5.695
  515   2HG   LYS  64          1HG       LYS  64  12.074  -7.055  -5.787
  516   1HD   LYS  64          2HD       LYS  64  12.754  -7.649  -3.700
  517   2HD   LYS  64          1HD       LYS  64  11.121  -7.562  -3.039
  518   1HE   LYS  64          2HE       LYS  64  11.684  -9.776  -4.954
  519   2HE   LYS  64          1HE       LYS  64  12.412  -9.899  -3.354
  520   1HZ   LYS  64          2HZ       LYS  64   9.526  -9.430  -3.887
  521   2HZ   LYS  64          1HZ       LYS  64  10.209 -10.920  -3.447
  522   3HZ   LYS  64          3HZ       LYS  64  10.244  -9.619  -2.360
  523    H    PHE  65           H        PHE  65   8.068  -4.439  -6.273
  524    HA   PHE  65           HA       PHE  65   7.307  -6.358  -8.299
  525   1HB   PHE  65          2HB       PHE  65   5.856  -5.130  -6.516
  526   2HB   PHE  65          1HB       PHE  65   5.800  -3.822  -7.688
  527    HD1  PHE  65           HD2      PHE  65   5.368  -7.561  -7.562
  528    HD2  PHE  65           HD1      PHE  65   4.077  -3.822  -9.237
  529    HE1  PHE  65           HE2      PHE  65   3.573  -8.734  -8.809
  530    HE2  PHE  65           HE1      PHE  65   2.284  -4.995 -10.482
  531    HZ   PHE  65           HZ       PHE  65   2.032  -7.452 -10.270
  532    H    LEU  66           H        LEU  66   7.858  -2.823  -8.357
  533    HA   LEU  66           HA       LEU  66   7.419  -2.567 -11.200
  534   1HB   LEU  66          2HB       LEU  66   7.570  -0.774  -9.185
  535   2HB   LEU  66          1HB       LEU  66   9.198  -0.607  -9.844
  536    HG   LEU  66           HG       LEU  66   7.837  -0.586 -12.155
  537   1HD1  LEU  66          2HD1      LEU  66   5.903   0.378 -10.035
  538   2HD1  LEU  66          1HD1      LEU  66   5.769   0.854 -11.728
  539   3HD1  LEU  66          3HD1      LEU  66   5.628  -0.844 -11.276
  540   1HD2  LEU  66          3HD2      LEU  66   9.377   1.172 -11.281
  541   2HD2  LEU  66          2HD2      LEU  66   7.961   1.859 -12.076
  542   3HD2  LEU  66          1HD2      LEU  66   8.051   1.821 -10.316
  543    H    LYS  67           H        LYS  67  10.377  -2.928  -9.223
  544    HA   LYS  67           HA       LYS  67  12.271  -2.603 -11.333
  545   1HB   LYS  67          2HB       LYS  67  12.340  -4.074  -8.703
  546   2HB   LYS  67          1HB       LYS  67  13.705  -4.154  -9.815
  547   1HG   LYS  67          2HG       LYS  67  12.606  -1.443  -9.277
  548   2HG   LYS  67          1HG       LYS  67  13.457  -2.221  -7.943
  549   1HD   LYS  67          2HD       LYS  67  15.263  -2.757  -9.782
  550   2HD   LYS  67          1HD       LYS  67  14.503  -1.417 -10.641
  551   1HE   LYS  67          2HE       LYS  67  14.848   0.038  -8.669
  552   2HE   LYS  67          1HE       LYS  67  15.626  -1.301  -7.824
  553   1HZ   LYS  67          3HZ       LYS  67  17.283  -1.377  -9.614
  554   2HZ   LYS  67          2HZ       LYS  67  16.557  -0.023 -10.340
  555   3HZ   LYS  67          1HZ       LYS  67  17.280   0.116  -8.809
  556    NH1  ARG  68           NH1      ARG  68  11.561 -12.694  -9.159
  557    NH2  ARG  68           NH2      ARG  68   9.834 -12.906 -10.612
  558    H    ARG  68           H        ARG  68  10.263  -5.373 -10.459
  559    HA   ARG  68           HA       ARG  68  11.749  -7.376 -11.891
  560   1HB   ARG  68          2HB       ARG  68   8.903  -7.156 -10.941
  561   2HB   ARG  68          1HB       ARG  68   9.389  -8.499 -11.971
  562   1HG   ARG  68          2HG       ARG  68  11.160  -7.892  -9.657
  563   2HG   ARG  68          1HG       ARG  68   9.587  -8.596  -9.286
  564   1HD   ARG  68          2HD       ARG  68  10.607 -10.042 -11.502
  565   2HD   ARG  68          1HD       ARG  68  11.933  -9.891 -10.351
  566    HE   ARG  68           HE       ARG  68   9.597 -10.662  -8.913
  567   1HH1  ARG  68          2HH1      ARG  68  12.103 -12.132  -8.534
  568   2HH1  ARG  68          1HH1      ARG  68  11.798 -13.656  -9.298
  569   1HH2  ARG  68          1HH2      ARG  68   9.056 -12.506 -11.098
  570   2HH2  ARG  68          2HH2      ARG  68  10.069 -13.868 -10.753
  571    H    ALA  69           H        ALA  69  10.485  -8.560 -13.802
  572    HA   ALA  69           HA       ALA  69  10.536  -6.731 -16.050
  573   1HB   ALA  69          2HB       ALA  69  11.135  -9.242 -16.027
  574   2HB   ALA  69          1HB       ALA  69   9.397  -9.527 -16.119
  575   3HB   ALA  69          3HB       ALA  69  10.217  -8.646 -17.409
  576    H    GLU  70           H        GLU  70   8.749  -6.202 -17.454
  577    HA   GLU  70           HA       GLU  70   6.032  -6.651 -16.309
  578   1HB   GLU  70          2HB       GLU  70   7.364  -4.029 -16.934
  579   2HB   GLU  70          1HB       GLU  70   5.614  -4.180 -17.103
  580   1HG   GLU  70          2HG       GLU  70   5.346  -4.777 -14.801
  581   2HG   GLU  70          1HG       GLU  70   7.080  -5.022 -14.592
  582    H    ASN  71           H        ASN  71   7.725  -5.193 -19.132
  583    HA   ASN  71           HA       ASN  71   5.516  -6.115 -20.881
  584   1HB   ASN  71          2HB       ASN  71   7.798  -4.204 -21.152
  585   2HB   ASN  71          1HB       ASN  71   7.192  -4.970 -22.620
  586   1HD2  ASN  71          2HD2      ASN  71   4.021  -3.305 -22.492
  587   2HD2  ASN  71          1HD2      ASN  71   4.819  -4.676 -23.096
  588    H    SER  72           H        SER  72   5.869  -7.534 -22.662
  589    HA   SER  72           HA       SER  72   6.805  -9.353 -23.796
  590   1HB   SER  72          2HB       SER  72   8.917  -7.563 -23.444
  591   2HB   SER  72          1HB       SER  72   9.556  -9.094 -22.854
  592    HG   SER  72           HG       SER  72   9.880  -9.103 -25.028
  593   1HC   CH3  25          1H        LEU  25   0.112  -3.609 -11.765
  594   2HC   CH3  25          2H        LEU  25  -0.424  -1.963 -11.435
  595   3HC   CH3  25          3H        LEU  25   1.138  -2.521 -10.835
   
  Start of MODEL          22
 Raw file had  595 H/Q atoms
  Start of MODEL   22
    1   1H    GLU   4          2H        GLU   4  -8.706  15.080 -10.979
    2   2H    GLU   4          1H        GLU   4  -9.743  16.291 -10.390
    3   3H    GLU   4          3H        GLU   4  -8.146  16.675 -10.817
    4    HA   GLU   4           HA       GLU   4  -7.296  15.288  -9.028
    5   1HB   GLU   4          2HB       GLU   4  -9.279  17.475  -8.423
    6   2HB   GLU   4          1HB       GLU   4  -8.438  16.647  -7.112
    7   1HG   GLU   4          2HG       GLU   4  -6.338  17.145  -8.737
    8   2HG   GLU   4          1HG       GLU   4  -7.369  18.508  -9.171
    9    H    LEU   5           H        LEU   5  -7.761  13.908  -7.211
   10    HA   LEU   5           HA       LEU   5 -10.568  12.948  -6.971
   11   1HB   LEU   5          2HB       LEU   5  -9.783  10.584  -7.004
   12   2HB   LEU   5          1HB       LEU   5  -9.518  11.398  -8.543
   13    HG   LEU   5           HG       LEU   5  -7.199  11.877  -6.984
   14   1HD1  LEU   5          3HD1      LEU   5  -8.225   9.035  -6.821
   15   2HD1  LEU   5          2HD1      LEU   5  -6.510   9.422  -6.687
   16   3HD1  LEU   5          1HD1      LEU   5  -7.653  10.062  -5.507
   17   1HD2  LEU   5          2HD2      LEU   5  -7.747   9.975  -9.286
   18   2HD2  LEU   5          1HD2      LEU   5  -7.260  11.665  -9.420
   19   3HD2  LEU   5          3HD2      LEU   5  -6.140  10.474  -8.757
   20    NH1  ARG   6           NH2      ARG   6 -13.980   7.742  -2.287
   21    NH2  ARG   6           NH1      ARG   6 -14.510   8.604  -0.260
   22    H    ARG   6           H        ARG   6 -11.134  12.728  -4.866
   23    HA   ARG   6           HA       ARG   6  -9.353  13.380  -2.725
   24   1HB   ARG   6          2HB       ARG   6 -11.220  12.622  -1.262
   25   2HB   ARG   6          1HB       ARG   6 -11.751  13.734  -2.510
   26   1HG   ARG   6          2HG       ARG   6 -13.308  12.185  -3.052
   27   2HG   ARG   6          1HG       ARG   6 -11.984  11.230  -3.718
   28   1HD   ARG   6          2HD       ARG   6 -11.813   9.889  -1.815
   29   2HD   ARG   6          1HD       ARG   6 -12.568  11.096  -0.774
   30    HE   ARG   6           HE       ARG   6 -14.631  10.460  -2.435
   31   1HH1  ARG   6          1HH2      ARG   6 -13.695   7.872  -3.238
   32   2HH1  ARG   6          2HH2      ARG   6 -14.145   6.818  -1.938
   33   1HH2  ARG   6          2HH1      ARG   6 -14.630   9.396   0.341
   34   2HH2  ARG   6          1HH1      ARG   6 -14.675   7.682   0.091
   35    H    CYS   7           H        CYS   7  -9.407  11.704  -0.722
   36    HA   CYS   7           HA       CYS   7  -7.744   9.477  -1.550
   37   1HB   CYS   7          2HB       CYS   7  -8.989   9.661   1.182
   38   2HB   CYS   7          1HB       CYS   7  -7.397   9.075   0.726
   39    H    GLN   8           H        GLN   8  -8.891   7.986  -2.775
   40    HA   GLN   8           HA       GLN   8 -11.594   7.175  -2.190
   41   1HB   GLN   8          2HB       GLN   8  -9.467   5.768  -3.831
   42   2HB   GLN   8          1HB       GLN   8 -11.197   5.444  -3.878
   43   1HG   GLN   8          2HG       GLN   8 -11.525   7.885  -4.512
   44   2HG   GLN   8          1HG       GLN   8  -9.777   7.975  -4.729
   45   1HE2  GLN   8          2HE2      GLN   8 -11.920   6.624  -7.770
   46   2HE2  GLN   8          1HE2      GLN   8 -12.510   7.611  -6.522
   47    H    CYS   9           H        CYS   9  -8.506   6.218  -0.897
   48    HA   CYS   9           HA       CYS   9  -9.747   3.787   0.305
   49   1HB   CYS   9          2HB       CYS   9  -6.906   4.547  -0.350
   50   2HB   CYS   9          1HB       CYS   9  -7.261   3.280   0.813
   51    H    ILE  10           H        ILE  10 -10.719   4.678   2.140
   52    HA   ILE  10           HA       ILE  10  -9.431   6.656   3.824
   53    HB   ILE  10           HB       ILE  10 -11.727   4.755   4.416
   54   1HG1  ILE  10          2HG1      ILE  10 -12.270   7.624   4.067
   55   2HG1  ILE  10          1HG1      ILE  10 -11.633   6.856   2.613
   56   1HG2  ILE  10          3HG2      ILE  10 -10.603   7.134   5.910
   57   2HG2  ILE  10          2HG2      ILE  10 -12.251   6.559   6.160
   58   3HG2  ILE  10          1HG2      ILE  10 -10.886   5.502   6.518
   59   1HD1  ILE  10          2HD1      ILE  10 -13.901   5.655   4.212
   60   2HD1  ILE  10          1HD1      ILE  10 -14.174   6.790   2.890
   61   3HD1  ILE  10          3HD1      ILE  10 -13.390   5.242   2.576
   62    H    LYS  11           H        LYS  11  -9.515   3.140   3.727
   63    HA   LYS  11           HA       LYS  11  -7.631   3.076   6.055
   64   1HB   LYS  11          2HB       LYS  11  -9.738   1.059   5.210
   65   2HB   LYS  11          1HB       LYS  11  -8.519   0.748   6.446
   66   1HG   LYS  11          2HG       LYS  11  -9.410   2.366   7.910
   67   2HG   LYS  11          1HG       LYS  11 -10.299   3.176   6.619
   68   1HD   LYS  11          2HD       LYS  11 -11.471   0.780   6.435
   69   2HD   LYS  11          1HD       LYS  11 -10.990   0.693   8.130
   70   1HE   LYS  11          2HE       LYS  11 -12.042   3.040   8.358
   71   2HE   LYS  11          1HE       LYS  11 -12.800   2.712   6.800
   72   1HZ   LYS  11          2HZ       LYS  11 -13.710   0.654   7.764
   73   2HZ   LYS  11          1HZ       LYS  11 -13.069   1.094   9.277
   74   3HZ   LYS  11          3HZ       LYS  11 -14.270   2.050   8.555
   75    H    THR  12           H        THR  12  -5.643   2.245   5.549
   76    HA   THR  12           HA       THR  12  -5.350   0.947   2.887
   77    HB   THR  12           HB       THR  12  -2.790   1.369   3.776
   78    HG1  THR  12           HG1      THR  12  -2.946   3.616   4.493
   79   1HG2  THR  12          3HG2      THR  12  -4.653   3.114   2.165
   80   2HG2  THR  12          2HG2      THR  12  -2.910   3.373   2.251
   81   3HG2  THR  12          1HG2      THR  12  -3.546   1.880   1.565
   82    OH   TYR  13           OH       TYR  13  -2.966  -8.595   4.298
   83    H    TYR  13           H        TYR  13  -3.044  -0.433   3.143
   84    HA   TYR  13           HA       TYR  13  -3.861  -2.667   4.909
   85   1HB   TYR  13          2HB       TYR  13  -3.394  -2.809   2.330
   86   2HB   TYR  13          1HB       TYR  13  -1.705  -2.805   2.821
   87    HD1  TYR  13           HD1      TYR  13  -4.283  -4.279   4.978
   88    HD2  TYR  13           HD2      TYR  13  -1.319  -5.030   1.967
   89    HE1  TYR  13           HE1      TYR  13  -4.388  -6.708   5.491
   90    HE2  TYR  13           HE2      TYR  13  -1.419  -7.466   2.475
   91    HH   TYR  13           HH       TYR  13  -3.836  -8.917   4.050
   92    H    SER  14           H        SER  14  -2.798  -2.871   6.802
   93    HA   SER  14           HA       SER  14  -0.104  -1.657   7.109
   94   1HB   SER  14          2HB       SER  14  -2.126  -2.744   9.084
   95   2HB   SER  14          1HB       SER  14  -0.481  -2.322   9.555
   96    HG   SER  14           HG       SER  14  -2.213  -0.645   9.706
   97    H    LYS  15           H        LYS  15  -1.721  -4.775   6.945
   98    HA   LYS  15           HA       LYS  15   0.618  -6.271   7.866
   99   1HB   LYS  15          2HB       LYS  15  -1.283  -7.777   6.222
  100   2HB   LYS  15          1HB       LYS  15  -0.713  -8.103   7.841
  101   1HG   LYS  15          2HG       LYS  15  -2.857  -6.064   7.181
  102   2HG   LYS  15          1HG       LYS  15  -3.176  -7.701   7.743
  103   1HD   LYS  15          2HD       LYS  15  -1.341  -5.923   9.328
  104   2HD   LYS  15          1HD       LYS  15  -3.089  -5.747   9.488
  105   1HE   LYS  15          2HE       LYS  15  -3.252  -7.628  10.722
  106   2HE   LYS  15          1HE       LYS  15  -2.290  -8.548   9.565
  107   1HZ   LYS  15          3HZ       LYS  15  -0.293  -7.487  10.544
  108   2HZ   LYS  15          2HZ       LYS  15  -1.283  -6.800  11.742
  109   3HZ   LYS  15          1HZ       LYS  15  -1.131  -8.488  11.627
  110    HA   PRO  16           HA       PRO  16   2.511  -6.128   3.877
  111   1HB   PRO  16          2HB       PRO  16   4.623  -7.752   4.495
  112   2HB   PRO  16          1HB       PRO  16   4.496  -6.080   5.022
  113   1HG   PRO  16          2HG       PRO  16   4.197  -8.558   6.623
  114   2HG   PRO  16          1HG       PRO  16   4.575  -6.915   7.166
  115   1HD   PRO  16          2HD       PRO  16   2.028  -8.240   7.289
  116   2HD   PRO  16          1HD       PRO  16   2.381  -6.560   7.733
  117    H    PHE  17           H        PHE  17   3.083  -7.583   2.085
  118    HA   PHE  17           HA       PHE  17   2.551 -10.434   2.274
  119   1HB   PHE  17          2HB       PHE  17   0.557 -10.599   0.976
  120   2HB   PHE  17          1HB       PHE  17   0.227  -9.395   2.214
  121    HD1  PHE  17           HD2      PHE  17   0.653  -6.888   1.542
  122    HD2  PHE  17           HD1      PHE  17   0.176 -10.100  -1.273
  123    HE1  PHE  17           HE2      PHE  17   0.065  -5.255  -0.229
  124    HE2  PHE  17           HE1      PHE  17  -0.417  -8.465  -3.038
  125    HZ   PHE  17           HZ       PHE  17  -0.471  -6.043  -2.516
  126    H    HIS  18           H        HIS  18   3.004 -11.559   0.242
  127    HA   HIS  18           HA       HIS  18   5.203 -10.419  -1.188
  128   1HB   HIS  18          2HB       HIS  18   5.198 -12.749  -0.935
  129   2HB   HIS  18          1HB       HIS  18   3.542 -12.894  -1.507
  130    HD1  HIS  18           HD1      HIS  18   7.072 -12.614  -2.719
  131    HD2  HIS  18           HD2      HIS  18   3.235 -12.651  -4.271
  132    HE1  HIS  18           HE1      HIS  18   7.309 -12.924  -5.232
  133    HA   PRO  19           HA       PRO  19   3.171  -7.976  -4.196
  134   1HB   PRO  19          2HB       PRO  19   5.284  -7.645  -5.908
  135   2HB   PRO  19          1HB       PRO  19   5.109  -6.801  -4.362
  136   1HG   PRO  19          2HG       PRO  19   6.899  -9.082  -5.063
  137   2HG   PRO  19          1HG       PRO  19   7.115  -7.824  -3.836
  138   1HD   PRO  19          2HD       PRO  19   6.280 -10.468  -3.346
  139   2HD   PRO  19          1HD       PRO  19   6.150  -9.116  -2.207
  140    H    LYS  20           H        LYS  20   5.111 -10.608  -5.726
  141    HA   LYS  20           HA       LYS  20   4.020 -10.439  -8.283
  142   1HB   LYS  20          2HB       LYS  20   5.795 -12.107  -7.253
  143   2HB   LYS  20          1HB       LYS  20   4.401 -13.175  -7.274
  144   1HG   LYS  20          2HG       LYS  20   5.068 -13.572  -9.423
  145   2HG   LYS  20          1HG       LYS  20   4.173 -12.087  -9.742
  146   1HD   LYS  20          2HD       LYS  20   6.279 -11.721 -10.761
  147   2HD   LYS  20          1HD       LYS  20   6.385 -10.857  -9.227
  148   1HE   LYS  20          2HE       LYS  20   8.105 -12.145  -8.560
  149   2HE   LYS  20          1HE       LYS  20   7.176 -13.613  -8.856
  150   1HZ   LYS  20          3HZ       LYS  20   7.768 -13.431 -11.216
  151   2HZ   LYS  20          2HZ       LYS  20   8.730 -12.075 -10.868
  152   3HZ   LYS  20          1HZ       LYS  20   9.136 -13.594 -10.226
  153    H    PHE  21           H        PHE  21   2.356 -11.571  -5.425
  154    HA   PHE  21           HA       PHE  21   0.278 -13.098  -6.639
  155   1HB   PHE  21          2HB       PHE  21   0.144 -11.311  -4.234
  156   2HB   PHE  21          1HB       PHE  21  -1.039 -12.527  -4.645
  157    HD1  PHE  21           HD1      PHE  21   1.337 -14.456  -5.689
  158    HD2  PHE  21           HD2      PHE  21   0.467 -12.373  -2.032
  159    HE1  PHE  21           HE1      PHE  21   2.646 -16.132  -4.413
  160    HE2  PHE  21           HE2      PHE  21   1.774 -14.047  -0.762
  161    HZ   PHE  21           HZ       PHE  21   2.864 -15.931  -1.955
  162    H    ILE  22           H        ILE  22   0.735  -9.651  -6.116
  163    HA   ILE  22           HA       ILE  22  -1.844  -8.715  -6.911
  164    HB   ILE  22           HB       ILE  22   0.862  -7.356  -7.141
  165   1HG1  ILE  22          2HG1      ILE  22  -1.085  -6.763  -4.956
  166   2HG1  ILE  22          1HG1      ILE  22  -0.187  -8.276  -4.845
  167   1HG2  ILE  22          1HG2      ILE  22  -1.977  -6.389  -7.358
  168   2HG2  ILE  22          3HG2      ILE  22  -0.702  -5.302  -6.812
  169   3HG2  ILE  22          2HG2      ILE  22  -0.608  -6.038  -8.411
  170   1HD1  ILE  22          1HD1      ILE  22   1.797  -6.514  -5.551
  171   2HD1  ILE  22          3HD1      ILE  22   0.764  -5.503  -4.541
  172   3HD1  ILE  22          2HD1      ILE  22   1.435  -6.998  -3.894
  173    H    LYS  23           H        LYS  23  -2.771  -8.697  -8.875
  174    HA   LYS  23           HA       LYS  23  -1.163  -9.371 -11.264
  175   1HB   LYS  23          2HB       LYS  23  -4.005  -9.503 -10.494
  176   2HB   LYS  23          1HB       LYS  23  -3.740  -8.959 -12.151
  177   1HG   LYS  23          2HG       LYS  23  -2.300 -10.930 -12.561
  178   2HG   LYS  23          1HG       LYS  23  -2.593 -11.481 -10.912
  179   1HD   LYS  23          2HD       LYS  23  -4.678 -12.249 -11.406
  180   2HD   LYS  23          1HD       LYS  23  -5.040 -10.878 -12.456
  181   1HE   LYS  23          2HE       LYS  23  -3.686 -11.859 -14.247
  182   2HE   LYS  23          1HE       LYS  23  -3.235 -13.203 -13.197
  183   1HZ   LYS  23          2HZ       LYS  23  -5.595 -13.783 -13.034
  184   2HZ   LYS  23          1HZ       LYS  23  -5.979 -12.534 -14.121
  185   3HZ   LYS  23          3HZ       LYS  23  -5.037 -13.846 -14.637
  186    H    GLU  24           H        GLU  24  -2.578  -6.593  -9.714
  187    HA   GLU  24           HA       GLU  24  -1.550  -4.872 -11.899
  188   1HB   GLU  24          2HB       GLU  24  -4.409  -5.253 -11.232
  189   2HB   GLU  24          1HB       GLU  24  -3.892  -3.571 -11.347
  190   1HG   GLU  24          2HG       GLU  24  -2.747  -4.295 -13.562
  191   2HG   GLU  24          1HG       GLU  24  -3.791  -5.715 -13.464
  192    HA   LEU  25           HA       LEU  25  -1.003  -2.787  -7.947
  193   1HB   LEU  25          2HB       LEU  25   0.978  -4.138  -7.716
  194   2HB   LEU  25          1HB       LEU  25   1.794  -3.265  -9.012
  195    HG   LEU  25           HG       LEU  25   0.819  -1.510  -6.863
  196   1HD1  LEU  25          3HD1      LEU  25   1.649  -3.812  -5.821
  197   2HD1  LEU  25          2HD1      LEU  25   3.233  -3.097  -6.118
  198   3HD1  LEU  25          1HD1      LEU  25   2.070  -2.266  -5.086
  199   1HD2  LEU  25          1HD2      LEU  25   3.006  -1.743  -8.778
  200   2HD2  LEU  25          3HD2      LEU  25   2.368  -0.303  -7.984
  201   3HD2  LEU  25          2HD2      LEU  25   3.595  -1.282  -7.180
  202    NH1  ARG  26           NH2      ARG  26  -2.816   3.133 -14.872
  203    NH2  ARG  26           NH1      ARG  26  -3.989   4.869 -14.003
  204    H    ARG  26           H        ARG  26  -1.856  -0.737  -8.295
  205    HA   ARG  26           HA       ARG  26  -0.095   1.139  -9.781
  206   1HB   ARG  26          2HB       ARG  26  -2.647   0.441 -10.514
  207   2HB   ARG  26          1HB       ARG  26  -2.891   1.933  -9.616
  208   1HG   ARG  26          2HG       ARG  26  -0.676   2.524 -11.156
  209   2HG   ARG  26          1HG       ARG  26  -1.650   1.530 -12.239
  210   1HD   ARG  26          2HD       ARG  26  -3.624   2.996 -11.700
  211   2HD   ARG  26          1HD       ARG  26  -2.534   4.044 -10.794
  212    HE   ARG  26           HE       ARG  26  -1.347   4.496 -12.937
  213   1HH1  ARG  26          1HH2      ARG  26  -2.061   2.480 -14.808
  214   2HH1  ARG  26          2HH2      ARG  26  -3.424   3.117 -15.667
  215   1HH2  ARG  26          2HH1      ARG  26  -4.132   5.540 -13.276
  216   2HH2  ARG  26          1HH1      ARG  26  -4.600   4.855 -14.796
  217    H    VAL  27           H        VAL  27   0.625   2.849  -8.569
  218    HA   VAL  27           HA       VAL  27  -0.687   3.335  -5.944
  219    HB   VAL  27           HB       VAL  27   1.457   4.523  -5.410
  220   1HG1  VAL  27          3HG1      VAL  27   0.990   2.065  -4.938
  221   2HG1  VAL  27          2HG1      VAL  27   1.953   1.702  -6.369
  222   3HG1  VAL  27          1HG1      VAL  27   2.692   2.520  -4.991
  223   1HG2  VAL  27          3HG2      VAL  27   1.973   4.910  -7.907
  224   2HG2  VAL  27          2HG2      VAL  27   3.323   4.447  -6.871
  225   3HG2  VAL  27          1HG2      VAL  27   2.558   3.247  -7.913
  226    H    ILE  28           H        ILE  28  -1.161   5.533  -5.307
  227    HA   ILE  28           HA       ILE  28  -1.479   7.385  -7.640
  228    HB   ILE  28           HB       ILE  28  -2.963   7.335  -4.989
  229   1HG1  ILE  28          2HG1      ILE  28  -3.924   6.632  -7.783
  230   2HG1  ILE  28          1HG1      ILE  28  -3.481   5.442  -6.558
  231   1HG2  ILE  28          1HG2      ILE  28  -3.247   9.058  -7.470
  232   2HG2  ILE  28          3HG2      ILE  28  -4.464   8.973  -6.196
  233   3HG2  ILE  28          2HG2      ILE  28  -2.856   9.600  -5.838
  234   1HD1  ILE  28          2HD1      ILE  28  -5.642   7.548  -6.233
  235   2HD1  ILE  28          1HD1      ILE  28  -5.932   5.850  -6.610
  236   3HD1  ILE  28          3HD1      ILE  28  -5.223   6.300  -5.058
  237    H    GLU  29           H        GLU  29  -0.647   9.477  -7.493
  238    HA   GLU  29           HA       GLU  29   1.510   9.922  -5.615
  239   1HB   GLU  29          2HB       GLU  29   0.188  11.572  -7.759
  240   2HB   GLU  29          1HB       GLU  29   1.384  12.289  -6.685
  241   1HG   GLU  29          2HG       GLU  29   2.917  10.342  -7.303
  242   2HG   GLU  29          1HG       GLU  29   1.763   9.967  -8.583
  243    H    SER  30           H        SER  30   1.491  12.307  -4.560
  244    HA   SER  30           HA       SER  30  -0.995  12.434  -2.912
  245   1HB   SER  30          2HB       SER  30   0.689  13.848  -1.431
  246   2HB   SER  30          1HB       SER  30   0.691  12.092  -1.360
  247    HG   SER  30           HG       SER  30   2.471  13.857  -2.638
  248    H    GLY  31           H        GLY  31  -1.536  14.682  -2.131
  249   1HA   GLY  31          2HA       GLY  31  -0.586  17.049  -3.404
  250   2HA   GLY  31          1HA       GLY  31  -1.979  16.461  -4.302
  251    HA   PRO  32           HA       PRO  32  -3.750  18.941  -0.862
  252   1HB   PRO  32          2HB       PRO  32  -5.683  20.111  -2.442
  253   2HB   PRO  32          1HB       PRO  32  -4.063  20.792  -2.208
  254   1HG   PRO  32          2HG       PRO  32  -5.171  19.344  -4.576
  255   2HG   PRO  32          1HG       PRO  32  -3.906  20.582  -4.508
  256   1HD   PRO  32          2HD       PRO  32  -3.454  17.821  -4.793
  257   2HD   PRO  32          1HD       PRO  32  -2.237  19.015  -4.293
  258    H    HIS  33           H        HIS  33  -5.206  17.043  -3.446
  259    HA   HIS  33           HA       HIS  33  -7.735  16.435  -2.283
  260   1HB   HIS  33          2HB       HIS  33  -7.671  14.432  -3.790
  261   2HB   HIS  33          1HB       HIS  33  -7.249  15.917  -4.634
  262    HD1  HIS  33           HD1      HIS  33  -4.680  16.279  -5.196
  263    HD2  HIS  33           HD2      HIS  33  -5.586  12.526  -3.621
  264    HE1  HIS  33           HE1      HIS  33  -2.603  14.866  -5.489
  265    H    CYS  34           H        CYS  34  -4.518  15.075  -1.797
  266    HA   CYS  34           HA       CYS  34  -5.307  13.839   0.690
  267   1HB   CYS  34          2HB       CYS  34  -5.765  12.227  -1.437
  268   2HB   CYS  34          1HB       CYS  34  -4.067  11.854  -1.144
  269    H    ALA  35           H        ALA  35  -3.634  14.732   1.829
  270    HA   ALA  35           HA       ALA  35  -1.066  15.372   0.778
  271   1HB   ALA  35          2HB       ALA  35  -2.183  16.222   2.933
  272   2HB   ALA  35          1HB       ALA  35  -1.575  14.746   3.684
  273   3HB   ALA  35          3HB       ALA  35  -0.447  15.915   3.000
  274    H    ASN  36           H        ASN  36  -2.141  12.518   2.621
  275    HA   ASN  36           HA       ASN  36   0.521  11.308   2.551
  276   1HB   ASN  36          2HB       ASN  36  -2.168  10.551   3.611
  277   2HB   ASN  36          1HB       ASN  36  -1.022   9.251   3.284
  278   1HD2  ASN  36          2HD2      ASN  36   0.668   9.854   6.305
  279   2HD2  ASN  36          1HD2      ASN  36   0.155   8.737   5.134
  280    H    THR  37           H        THR  37   1.271   9.831   1.068
  281    HA   THR  37           HA       THR  37  -0.084   9.531  -1.466
  282    HB   THR  37           HB       THR  37   2.122   7.696  -0.527
  283    HG1  THR  37           HG1      THR  37   2.397  10.385  -1.402
  284   1HG2  THR  37          2HG2      THR  37   1.395   8.999  -3.164
  285   2HG2  THR  37          1HG2      THR  37   2.843   8.025  -2.906
  286   3HG2  THR  37          3HG2      THR  37   1.247   7.291  -2.751
  287    H    GLU  38           H        GLU  38  -0.982   7.528  -2.361
  288    HA   GLU  38           HA       GLU  38  -1.706   5.489  -0.297
  289   1HB   GLU  38          2HB       GLU  38  -3.515   7.318  -1.174
  290   2HB   GLU  38          1HB       GLU  38  -3.733   6.061  -2.390
  291   1HG   GLU  38          2HG       GLU  38  -5.201   5.307  -0.762
  292   2HG   GLU  38          1HG       GLU  38  -3.732   4.470  -0.262
  293    H    ILE  39           H        ILE  39  -1.138   3.486  -0.956
  294    HA   ILE  39           HA       ILE  39  -0.465   3.045  -3.812
  295    HB   ILE  39           HB       ILE  39  -0.035   1.458  -1.264
  296   1HG1  ILE  39          2HG1      ILE  39   2.379   1.709  -2.500
  297   2HG1  ILE  39          1HG1      ILE  39   1.584   3.184  -3.048
  298   1HG2  ILE  39          1HG2      ILE  39   0.394   0.613  -4.137
  299   2HG2  ILE  39          3HG2      ILE  39   1.276  -0.120  -2.799
  300   3HG2  ILE  39          2HG2      ILE  39  -0.481  -0.246  -2.871
  301   1HD1  ILE  39          3HD1      ILE  39   1.215   2.588  -0.180
  302   2HD1  ILE  39          2HD1      ILE  39   2.878   2.937  -0.651
  303   3HD1  ILE  39          1HD1      ILE  39   1.605   4.115  -0.973
  304    H    ILE  40           H        ILE  40  -1.398   1.132  -4.931
  305    HA   ILE  40           HA       ILE  40  -3.843  -0.018  -3.725
  306    HB   ILE  40           HB       ILE  40  -3.972   1.234  -6.483
  307   1HG1  ILE  40          2HG1      ILE  40  -5.231   2.328  -3.952
  308   2HG1  ILE  40          1HG1      ILE  40  -3.693   2.916  -4.576
  309   1HG2  ILE  40          1HG2      ILE  40  -6.036   0.092  -4.573
  310   2HG2  ILE  40          3HG2      ILE  40  -6.425   0.901  -6.091
  311   3HG2  ILE  40          2HG2      ILE  40  -5.522  -0.613  -6.105
  312   1HD1  ILE  40          3HD1      ILE  40  -6.197   2.818  -6.267
  313   2HD1  ILE  40          2HD1      ILE  40  -5.754   4.228  -5.306
  314   3HD1  ILE  40          1HD1      ILE  40  -4.696   3.680  -6.606
  315    H    VAL  41           H        VAL  41  -4.118  -2.114  -4.382
  316    HA   VAL  41           HA       VAL  41  -2.616  -3.086  -6.739
  317    HB   VAL  41           HB       VAL  41  -1.920  -5.048  -5.376
  318   1HG1  VAL  41          3HG1      VAL  41  -0.434  -3.073  -5.795
  319   2HG1  VAL  41          2HG1      VAL  41  -0.948  -2.424  -4.239
  320   3HG1  VAL  41          1HG1      VAL  41  -0.051  -3.940  -4.308
  321   1HG2  VAL  41          1HG2      VAL  41  -3.766  -4.333  -3.577
  322   2HG2  VAL  41          3HG2      VAL  41  -2.332  -5.254  -3.120
  323   3HG2  VAL  41          2HG2      VAL  41  -2.376  -3.509  -2.872
  324    H    LYS  42           H        LYS  42  -3.399  -5.314  -7.354
  325    HA   LYS  42           HA       LYS  42  -6.190  -5.833  -6.441
  326   1HB   LYS  42          2HB       LYS  42  -5.298  -5.046  -9.087
  327   2HB   LYS  42          1HB       LYS  42  -6.036  -6.647  -9.140
  328   1HG   LYS  42          2HG       LYS  42  -7.872  -5.513  -7.614
  329   2HG   LYS  42          1HG       LYS  42  -7.253  -4.027  -8.334
  330   1HD   LYS  42          2HD       LYS  42  -8.057  -4.537 -10.416
  331   2HD   LYS  42          1HD       LYS  42  -7.771  -6.265 -10.217
  332   1HE   LYS  42          2HE       LYS  42 -10.140  -6.024 -10.231
  333   2HE   LYS  42          1HE       LYS  42  -9.708  -6.242  -8.536
  334   1HZ   LYS  42          2HZ       LYS  42 -10.041  -3.583  -9.810
  335   2HZ   LYS  42          1HZ       LYS  42 -11.291  -4.389  -8.989
  336   3HZ   LYS  42          3HZ       LYS  42  -9.891  -3.925  -8.152
  337    H    LEU  43           H        LEU  43  -5.655  -7.646  -5.220
  338    HA   LEU  43           HA       LEU  43  -3.750  -9.627  -5.808
  339   1HB   LEU  43          2HB       LEU  43  -6.327  -9.681  -4.260
  340   2HB   LEU  43          1HB       LEU  43  -5.338 -11.118  -4.416
  341    HG   LEU  43           HG       LEU  43  -4.259  -8.468  -3.423
  342   1HD1  LEU  43          3HD1      LEU  43  -5.394 -10.830  -1.910
  343   2HD1  LEU  43          2HD1      LEU  43  -4.301  -9.662  -1.166
  344   3HD1  LEU  43          1HD1      LEU  43  -5.866  -9.134  -1.784
  345   1HD2  LEU  43          1HD2      LEU  43  -3.206 -11.301  -3.559
  346   2HD2  LEU  43          3HD2      LEU  43  -2.475  -9.833  -4.208
  347   3HD2  LEU  43          2HD2      LEU  43  -2.510 -10.105  -2.466
  348    H    SER  44           H        SER  44  -3.833 -11.593  -6.869
  349    HA   SER  44           HA       SER  44  -5.268 -11.817  -9.273
  350   1HB   SER  44          2HB       SER  44  -4.492 -14.169  -9.310
  351   2HB   SER  44          1HB       SER  44  -3.203 -13.061  -8.853
  352    HG   SER  44           HG       SER  44  -3.176 -14.715  -7.386
  353    H    ASP  45           H        ASP  45  -6.256 -12.742  -6.038
  354    HA   ASP  45           HA       ASP  45  -8.330 -14.563  -6.860
  355   1HB   ASP  45          2HB       ASP  45  -7.747 -13.105  -4.284
  356   2HB   ASP  45          1HB       ASP  45  -9.153 -14.154  -4.471
  357    H    GLY  46           H        GLY  46  -8.107 -11.291  -7.382
  358   1HA   GLY  46          2HA       GLY  46  -9.821  -9.929  -8.325
  359   2HA   GLY  46          1HA       GLY  46 -11.029 -11.040  -7.677
  360    NH1  ARG  47           NH2      ARG  47 -12.369  -8.433   0.966
  361    NH2  ARG  47           NH1      ARG  47 -12.100 -10.682   0.985
  362    H    ARG  47           H        ARG  47  -8.359  -9.725  -5.764
  363    HA   ARG  47           HA       ARG  47 -10.401  -8.349  -4.062
  364   1HB   ARG  47          2HB       ARG  47  -8.787 -10.223  -3.201
  365   2HB   ARG  47          1HB       ARG  47  -7.575  -8.948  -3.224
  366   1HG   ARG  47          2HG       ARG  47  -8.359  -8.618  -1.088
  367   2HG   ARG  47          1HG       ARG  47  -9.535  -7.625  -1.943
  368   1HD   ARG  47          2HD       ARG  47 -11.209  -9.267  -1.818
  369   2HD   ARG  47          1HD       ARG  47 -10.048 -10.561  -1.523
  370    HE   ARG  47           HE       ARG  47  -9.690  -9.124   0.718
  371   1HH1  ARG  47          1HH2      ARG  47 -12.021  -7.520   0.752
  372   2HH1  ARG  47          2HH2      ARG  47 -13.273  -8.537   1.380
  373   1HH2  ARG  47          2HH1      ARG  47 -11.545 -11.491   0.786
  374   2HH2  ARG  47          1HH1      ARG  47 -13.004 -10.788   1.400
  375    H    GLU  48           H        GLU  48  -9.750  -6.253  -3.131
  376    HA   GLU  48           HA       GLU  48  -7.663  -4.815  -4.713
  377   1HB   GLU  48          2HB       GLU  48 -10.235  -4.358  -5.249
  378   2HB   GLU  48          1HB       GLU  48 -10.118  -3.354  -3.803
  379   1HG   GLU  48          2HG       GLU  48  -7.912  -2.477  -4.986
  380   2HG   GLU  48          1HG       GLU  48  -8.728  -3.049  -6.442
  381    H    LEU  49           H        LEU  49  -6.114  -4.348  -3.221
  382    HA   LEU  49           HA       LEU  49  -7.026  -3.373  -0.533
  383   1HB   LEU  49          2HB       LEU  49  -5.235  -5.566  -1.235
  384   2HB   LEU  49          1HB       LEU  49  -4.445  -4.378  -0.201
  385    HG   LEU  49           HG       LEU  49  -6.612  -4.513   1.232
  386   1HD1  LEU  49          2HD1      LEU  49  -6.799  -6.969  -0.516
  387   2HD1  LEU  49          1HD1      LEU  49  -7.535  -6.911   1.085
  388   3HD1  LEU  49          3HD1      LEU  49  -8.055  -5.782  -0.166
  389   1HD2  LEU  49          3HD2      LEU  49  -4.245  -5.452   1.689
  390   2HD2  LEU  49          2HD2      LEU  49  -5.581  -6.159   2.594
  391   3HD2  LEU  49          1HD2      LEU  49  -4.911  -7.010   1.204
  392    H    CYS  50           H        CYS  50  -6.350  -1.330  -0.135
  393    HA   CYS  50           HA       CYS  50  -4.252  -0.121  -1.817
  394   1HB   CYS  50          2HB       CYS  50  -5.197   1.451   0.437
  395   2HB   CYS  50          1HB       CYS  50  -5.125   1.878  -1.254
  396    H    LEU  51           H        LEU  51  -2.152   0.108  -1.086
  397    HA   LEU  51           HA       LEU  51  -1.560  -1.052   1.533
  398   1HB   LEU  51          2HB       LEU  51   0.366  -0.100  -0.570
  399   2HB   LEU  51          1HB       LEU  51   0.723  -1.118   0.805
  400    HG   LEU  51           HG       LEU  51  -0.726  -1.821  -1.722
  401   1HD1  LEU  51          2HD1      LEU  51   1.705  -2.364  -1.196
  402   2HD1  LEU  51          1HD1      LEU  51   1.098  -3.453   0.050
  403   3HD1  LEU  51          3HD1      LEU  51   0.695  -3.740  -1.642
  404   1HD2  LEU  51          3HD2      LEU  51  -1.296  -2.908   1.032
  405   2HD2  LEU  51          2HD2      LEU  51  -2.429  -2.544  -0.269
  406   3HD2  LEU  51          1HD2      LEU  51  -1.401  -3.972  -0.369
  407    H    ASP  52           H        ASP  52  -0.169  -0.064   3.028
  408    HA   ASP  52           HA       ASP  52  -0.502   2.885   3.166
  409   1HB   ASP  52          2HB       ASP  52  -1.180   1.106   5.018
  410   2HB   ASP  52          1HB       ASP  52   0.528   1.211   5.437
  411    HA   PRO  53           HA       PRO  53   3.853   3.025   2.139
  412   1HB   PRO  53          2HB       PRO  53   4.003   5.778   2.143
  413   2HB   PRO  53          1HB       PRO  53   3.422   4.816   0.774
  414   1HG   PRO  53          2HG       PRO  53   1.846   6.406   2.759
  415   2HG   PRO  53          1HG       PRO  53   1.482   6.048   1.062
  416   1HD   PRO  53          2HD       PRO  53   0.309   4.754   3.244
  417   2HD   PRO  53          1HD       PRO  53   0.362   4.107   1.590
  418    H    LYS  54           H        LYS  54   2.291   3.961   5.041
  419    HA   LYS  54           HA       LYS  54   4.369   5.260   6.455
  420   1HB   LYS  54          2HB       LYS  54   1.803   4.162   7.062
  421   2HB   LYS  54          1HB       LYS  54   2.952   3.535   8.241
  422   1HG   LYS  54          2HG       LYS  54   3.751   5.897   8.607
  423   2HG   LYS  54          1HG       LYS  54   2.430   6.445   7.575
  424   1HD   LYS  54          2HD       LYS  54   0.831   6.003   9.152
  425   2HD   LYS  54          1HD       LYS  54   1.677   4.582   9.763
  426   1HE   LYS  54          2HE       LYS  54   3.262   5.978  10.966
  427   2HE   LYS  54          1HE       LYS  54   2.569   7.438  10.260
  428   1HZ   LYS  54          1HZ       LYS  54   0.456   6.873  11.345
  429   2HZ   LYS  54          3HZ       LYS  54   1.198   5.540  12.088
  430   3HZ   LYS  54          2HZ       LYS  54   1.712   7.115  12.464
  431    H    GLU  55           H        GLU  55   3.886   1.863   5.615
  432    HA   GLU  55           HA       GLU  55   6.023   0.982   7.448
  433   1HB   GLU  55          2HB       GLU  55   4.182  -0.393   5.509
  434   2HB   GLU  55          1HB       GLU  55   5.602  -1.215   6.103
  435   1HG   GLU  55          2HG       GLU  55   3.521   0.014   7.899
  436   2HG   GLU  55          1HG       GLU  55   3.545  -1.683   7.449
  437    H    ASN  56           H        ASN  56   7.729  -0.448   6.402
  438    HA   ASN  56           HA       ASN  56   8.890   0.991   4.083
  439   1HB   ASN  56          2HB       ASN  56   9.965  -0.247   6.430
  440   2HB   ASN  56          1HB       ASN  56  10.676  -0.973   4.994
  441   1HD2  ASN  56          2HD2      ASN  56  11.620   2.855   5.994
  442   2HD2  ASN  56          1HD2      ASN  56  10.513   1.959   6.919
  443    CH2  TRP  57           CH2      TRP  57   1.573  -4.244   2.388
  444    H    TRP  57           H        TRP  57   7.280  -1.929   4.893
  445    HA   TRP  57           HA       TRP  57   8.397  -3.544   2.799
  446   1HB   TRP  57          2HB       TRP  57   6.828  -5.198   3.466
  447   2HB   TRP  57          1HB       TRP  57   7.334  -4.404   4.930
  448    HD1  TRP  57           HD1      TRP  57   5.544  -3.280   6.338
  449    HE1  TRP  57           HE1      TRP  57   2.994  -3.116   6.193
  450    HE3  TRP  57           HE3      TRP  57   4.821  -4.865   1.559
  451    HZ2  TRP  57           HZ2      TRP  57   0.904  -3.526   4.305
  452    HZ3  TRP  57           HZ3      TRP  57   2.543  -4.940   0.602
  453    HH2  TRP  57           HH2      TRP  57   0.580  -4.282   1.964
  454    H    VAL  58           H        VAL  58   5.542  -1.482   3.146
  455    HA   VAL  58           HA       VAL  58   4.308  -2.255   0.661
  456    HB   VAL  58           HB       VAL  58   4.110   0.148   2.455
  457   1HG1  VAL  58          1HG1      VAL  58   2.982  -0.137  -0.325
  458   2HG1  VAL  58          3HG1      VAL  58   2.167   0.844   0.895
  459   3HG1  VAL  58          2HG1      VAL  58   3.807   1.249   0.388
  460   1HG2  VAL  58          3HG2      VAL  58   2.344  -2.129   1.624
  461   2HG2  VAL  58          2HG2      VAL  58   2.839  -1.651   3.245
  462   3HG2  VAL  58          1HG2      VAL  58   1.664  -0.681   2.363
  463    H    GLN  59           H        GLN  59   6.615   0.356   1.464
  464    HA   GLN  59           HA       GLN  59   6.750   1.305  -1.265
  465   1HB   GLN  59          2HB       GLN  59   8.441   2.791  -0.496
  466   2HB   GLN  59          1HB       GLN  59   7.251   2.677   0.797
  467   1HG   GLN  59          2HG       GLN  59   8.669   0.859   1.803
  468   2HG   GLN  59          1HG       GLN  59   9.903   1.258   0.612
  469   1HE2  GLN  59          2HE2      GLN  59  10.983   4.163   2.324
  470   2HE2  GLN  59          1HE2      GLN  59  11.185   3.150   0.978
  471    NH1  ARG  60           NH2      ARG  60  10.656  -6.629   2.423
  472    NH2  ARG  60           NH1      ARG  60  11.686  -7.795   0.771
  473    H    ARG  60           H        ARG  60   8.398  -1.175   0.556
  474    HA   ARG  60           HA       ARG  60  10.595  -1.439  -1.379
  475   1HB   ARG  60          2HB       ARG  60  10.582  -2.064   1.169
  476   2HB   ARG  60          1HB       ARG  60   9.817  -3.553   0.619
  477   1HG   ARG  60          2HG       ARG  60  11.794  -3.557  -1.133
  478   2HG   ARG  60          1HG       ARG  60  12.579  -2.525   0.064
  479   1HD   ARG  60          2HD       ARG  60  13.162  -4.855   0.501
  480   2HD   ARG  60          1HD       ARG  60  12.131  -4.257   1.801
  481    HE   ARG  60           HE       ARG  60  10.552  -5.519  -0.267
  482   1HH1  ARG  60          1HH2      ARG  60  10.272  -5.772   2.768
  483   2HH1  ARG  60          2HH2      ARG  60  10.644  -7.449   2.997
  484   1HH2  ARG  60          2HH1      ARG  60  12.086  -7.828  -0.146
  485   2HH2  ARG  60          1HH1      ARG  60  11.676  -8.616   1.340
  486    H    VAL  61           H        VAL  61   7.606  -3.125  -0.500
  487    HA   VAL  61           HA       VAL  61   7.815  -5.238  -2.425
  488    HB   VAL  61           HB       VAL  61   5.486  -3.963  -0.969
  489   1HG1  VAL  61          3HG1      VAL  61   4.709  -4.868  -3.157
  490   2HG1  VAL  61          2HG1      VAL  61   5.399  -6.431  -2.718
  491   3HG1  VAL  61          1HG1      VAL  61   4.064  -5.764  -1.781
  492   1HG2  VAL  61          2HG2      VAL  61   7.154  -5.343   0.295
  493   2HG2  VAL  61          1HG2      VAL  61   5.528  -6.027   0.318
  494   3HG2  VAL  61          3HG2      VAL  61   6.757  -6.708  -0.748
  495    H    VAL  62           H        VAL  62   6.413  -1.974  -2.564
  496    HA   VAL  62           HA       VAL  62   5.321  -2.264  -5.231
  497    HB   VAL  62           HB       VAL  62   6.028   0.152  -3.540
  498   1HG1  VAL  62          2HG1      VAL  62   4.904  -0.014  -6.339
  499   2HG1  VAL  62          1HG1      VAL  62   4.572   1.365  -5.291
  500   3HG1  VAL  62          3HG1      VAL  62   6.232   0.985  -5.751
  501   1HG2  VAL  62          3HG2      VAL  62   4.017  -1.503  -3.115
  502   2HG2  VAL  62          2HG2      VAL  62   3.754   0.238  -3.020
  503   3HG2  VAL  62          1HG2      VAL  62   3.284  -0.646  -4.471
  504    H    GLU  63           H        GLU  63   8.429  -1.094  -3.932
  505    HA   GLU  63           HA       GLU  63   9.483  -0.189  -6.428
  506   1HB   GLU  63          2HB       GLU  63  10.649  -0.895  -3.759
  507   2HB   GLU  63          1HB       GLU  63  11.732  -0.692  -5.131
  508   1HG   GLU  63          2HG       GLU  63  10.875   1.558  -5.532
  509   2HG   GLU  63          1HG       GLU  63   9.685   1.362  -4.245
  510    H    LYS  64           H        LYS  64   9.767  -3.304  -4.684
  511    HA   LYS  64           HA       LYS  64  11.472  -4.557  -6.593
  512   1HB   LYS  64          2HB       LYS  64  10.541  -5.263  -4.141
  513   2HB   LYS  64          1HB       LYS  64   9.519  -6.271  -5.164
  514   1HG   LYS  64          2HG       LYS  64  12.394  -6.216  -5.893
  515   2HG   LYS  64          1HG       LYS  64  12.013  -6.996  -4.357
  516   1HD   LYS  64          2HD       LYS  64  10.786  -8.682  -5.353
  517   2HD   LYS  64          1HD       LYS  64  10.313  -7.676  -6.721
  518   1HE   LYS  64          2HE       LYS  64  13.204  -8.411  -6.364
  519   2HE   LYS  64          1HE       LYS  64  12.092  -9.585  -7.066
  520   1HZ   LYS  64          2HZ       LYS  64  12.522  -6.813  -8.047
  521   2HZ   LYS  64          1HZ       LYS  64  13.138  -8.223  -8.767
  522   3HZ   LYS  64          3HZ       LYS  64  11.464  -7.956  -8.729
  523    H    PHE  65           H        PHE  65   7.961  -4.215  -6.371
  524    HA   PHE  65           HA       PHE  65   7.301  -6.054  -8.498
  525   1HB   PHE  65          2HB       PHE  65   5.809  -5.003  -6.622
  526   2HB   PHE  65          1HB       PHE  65   5.633  -3.662  -7.746
  527    HD1  PHE  65           HD2      PHE  65   5.433  -7.410  -7.679
  528    HD2  PHE  65           HD1      PHE  65   3.915  -3.748  -9.330
  529    HE1  PHE  65           HE2      PHE  65   3.701  -8.683  -8.907
  530    HE2  PHE  65           HE1      PHE  65   2.182  -5.022 -10.559
  531    HZ   PHE  65           HZ       PHE  65   2.073  -7.490 -10.351
  532    H    LEU  66           H        LEU  66   7.623  -2.490  -8.363
  533    HA   LEU  66           HA       LEU  66   7.112  -2.116 -11.187
  534   1HB   LEU  66          2HB       LEU  66   6.853  -0.376  -9.345
  535   2HB   LEU  66          1HB       LEU  66   8.610  -0.221  -9.364
  536    HG   LEU  66           HG       LEU  66   8.197   0.049 -11.987
  537   1HD1  LEU  66          2HD1      LEU  66   5.609   0.978 -10.702
  538   2HD1  LEU  66          1HD1      LEU  66   6.108   1.378 -12.346
  539   3HD1  LEU  66          3HD1      LEU  66   5.783  -0.299 -11.906
  540   1HD2  LEU  66          2HD2      LEU  66   7.699   2.236  -9.939
  541   2HD2  LEU  66          1HD2      LEU  66   9.278   1.708 -10.519
  542   3HD2  LEU  66          3HD2      LEU  66   8.154   2.501 -11.623
  543    H    LYS  67           H        LYS  67  10.140  -2.154  -9.259
  544    HA   LYS  67           HA       LYS  67  11.904  -1.650 -11.451
  545   1HB   LYS  67          2HB       LYS  67  12.383  -1.677  -8.885
  546   2HB   LYS  67          1HB       LYS  67  12.683  -3.398  -9.124
  547   1HG   LYS  67          2HG       LYS  67  14.813  -2.448  -9.427
  548   2HG   LYS  67          1HG       LYS  67  14.221  -2.630 -11.079
  549   1HD   LYS  67          2HD       LYS  67  13.253  -0.184 -10.608
  550   2HD   LYS  67          1HD       LYS  67  14.589  -0.145  -9.456
  551   1HE   LYS  67          2HE       LYS  67  16.197  -0.229 -11.103
  552   2HE   LYS  67          1HE       LYS  67  15.185  -1.178 -12.191
  553   1HZ   LYS  67          3HZ       LYS  67  13.847   0.795 -12.607
  554   2HZ   LYS  67          2HZ       LYS  67  14.840   1.707 -11.570
  555   3HZ   LYS  67          1HZ       LYS  67  15.472   1.068 -13.012
  556    NH1  ARG  68           NH1      ARG  68  10.684  -8.131 -16.352
  557    NH2  ARG  68           NH2      ARG  68   8.490  -7.863 -16.861
  558    H    ARG  68           H        ARG  68  12.343  -2.910 -13.173
  559    HA   ARG  68           HA       ARG  68  12.492  -5.850 -12.877
  560   1HB   ARG  68          2HB       ARG  68  10.438  -4.397 -14.516
  561   2HB   ARG  68          1HB       ARG  68  11.079  -5.926 -15.109
  562   1HG   ARG  68          2HG       ARG  68  10.525  -6.906 -12.822
  563   2HG   ARG  68          1HG       ARG  68   9.630  -5.421 -12.502
  564   1HD   ARG  68          2HD       ARG  68   7.956  -6.797 -13.373
  565   2HD   ARG  68          1HD       ARG  68   8.491  -5.931 -14.812
  566    HE   ARG  68           HE       ARG  68   9.173  -8.758 -14.161
  567   1HH1  ARG  68          2HH1      ARG  68  11.410  -8.219 -15.670
  568   2HH1  ARG  68          1HH1      ARG  68  10.908  -8.159 -17.327
  569   1HH2  ARG  68          1HH2      ARG  68   7.540  -7.748 -16.568
  570   2HH2  ARG  68          2HH2      ARG  68   8.711  -7.891 -17.836
  571    H    ALA  69           H        ALA  69  13.014  -6.720 -15.289
  572    HA   ALA  69           HA       ALA  69  15.390  -5.180 -16.139
  573   1HB   ALA  69          3HB       ALA  69  15.329  -7.734 -15.787
  574   2HB   ALA  69          2HB       ALA  69  14.443  -7.800 -17.310
  575   3HB   ALA  69          1HB       ALA  69  16.082  -7.150 -17.271
  576    H    GLU  70           H        GLU  70  15.332  -3.839 -17.884
  577    HA   GLU  70           HA       GLU  70  13.734  -4.423 -20.246
  578   1HB   GLU  70          2HB       GLU  70  12.336  -2.340 -20.082
  579   2HB   GLU  70          1HB       GLU  70  11.927  -3.555 -18.873
  580   1HG   GLU  70          2HG       GLU  70  12.985  -2.362 -17.134
  581   2HG   GLU  70          1HG       GLU  70  13.927  -1.381 -18.258
  582    H    ASN  71           H        ASN  71  14.039  -2.723 -21.928
  583    HA   ASN  71           HA       ASN  71  15.311  -1.152 -23.107
  584   1HB   ASN  71          2HB       ASN  71  15.017   0.105 -20.813
  585   2HB   ASN  71          1HB       ASN  71  16.718  -0.302 -20.591
  586   1HD2  ASN  71          2HD2      ASN  71  17.863   1.950 -23.106
  587   2HD2  ASN  71          1HD2      ASN  71  18.285   0.622 -22.137
  588    H    SER  72           H        SER  72  17.305  -1.264 -24.176
  589    HA   SER  72           HA       SER  72  19.386  -3.020 -22.932
  590   1HB   SER  72          2HB       SER  72  17.990  -4.054 -24.844
  591   2HB   SER  72          1HB       SER  72  18.838  -2.931 -25.902
  592    HG   SER  72           HG       SER  72  20.536  -4.158 -25.760
  593   1HC   CH3  25          1H        LEU  25  -0.700  -2.234 -11.516
  594   2HC   CH3  25          2H        LEU  25   0.911  -2.737 -11.000
  595   3HC   CH3  25          3H        LEU  25  -0.108  -3.847 -11.911
   
  Start of MODEL          23
 Raw file had  595 H/Q atoms
  Start of MODEL   23
    1   1H    GLU   4          1H        GLU   4  -5.618  15.039  -7.469
    2   2H    GLU   4          3H        GLU   4  -5.805  16.549  -8.220
    3   3H    GLU   4          2H        GLU   4  -6.550  16.249  -6.724
    4    HA   GLU   4           HA       GLU   4  -8.265  16.079  -8.287
    5   1HB   GLU   4          2HB       GLU   4  -6.228  15.537 -10.065
    6   2HB   GLU   4          1HB       GLU   4  -7.041  13.977  -9.950
    7   1HG   GLU   4          2HG       GLU   4  -8.727  16.434 -10.253
    8   2HG   GLU   4          1HG       GLU   4  -7.874  15.822 -11.670
    9    H    LEU   5           H        LEU   5  -9.799  14.789  -7.336
   10    HA   LEU   5           HA       LEU   5 -10.852  12.912  -6.428
   11   1HB   LEU   5          2HB       LEU   5  -9.625  11.815  -8.473
   12   2HB   LEU   5          1HB       LEU   5  -8.546  11.159  -7.241
   13    HG   LEU   5           HG       LEU   5 -11.337  10.876  -6.459
   14   1HD1  LEU   5          1HD1      LEU   5 -10.446   9.757  -9.126
   15   2HD1  LEU   5          3HD1      LEU   5 -11.758   9.039  -8.191
   16   3HD1  LEU   5          2HD1      LEU   5 -11.896  10.698  -8.774
   17   1HD2  LEU   5          2HD2      LEU   5  -8.903   9.609  -6.047
   18   2HD2  LEU   5          1HD2      LEU   5 -10.474   8.998  -5.529
   19   3HD2  LEU   5          3HD2      LEU   5  -9.780   8.463  -7.059
   20    NH1  ARG   6           NH1      ARG   6  -9.943  13.900   2.413
   21    NH2  ARG   6           NH2      ARG   6 -12.166  13.579   2.732
   22    H    ARG   6           H        ARG   6 -10.921  12.531  -4.280
   23    HA   ARG   6           HA       ARG   6  -8.657  13.039  -2.561
   24   1HB   ARG   6          2HB       ARG   6 -11.486  12.220  -2.221
   25   2HB   ARG   6          1HB       ARG   6 -10.395  11.728  -0.930
   26   1HG   ARG   6          2HG       ARG   6  -9.675  14.010  -0.576
   27   2HG   ARG   6          1HG       ARG   6 -10.569  14.560  -1.994
   28   1HD   ARG   6          2HD       ARG   6 -12.528  14.644  -0.862
   29   2HD   ARG   6          1HD       ARG   6 -12.238  13.092  -0.075
   30    HE   ARG   6           HE       ARG   6 -11.383  15.740   0.956
   31   1HH1  ARG   6          2HH1      ARG   6  -9.191  14.284   1.876
   32   2HH1  ARG   6          1HH1      ARG   6  -9.747  13.378   3.245
   33   1HH2  ARG   6          1HH2      ARG   6 -13.112  13.718   2.439
   34   2HH2  ARG   6          2HH2      ARG   6 -11.973  13.057   3.564
   35    H    CYS   7           H        CYS   7  -8.488  11.136  -0.669
   36    HA   CYS   7           HA       CYS   7  -6.885   9.088  -1.870
   37   1HB   CYS   7          2HB       CYS   7  -7.938   9.632   0.876
   38   2HB   CYS   7          1HB       CYS   7  -7.291   8.030   0.531
   39    H    GLN   8           H        GLN   8  -7.496   7.222  -2.808
   40    HA   GLN   8           HA       GLN   8 -10.267   6.450  -3.018
   41   1HB   GLN   8          2HB       GLN   8  -7.638   5.269  -3.857
   42   2HB   GLN   8          1HB       GLN   8  -9.076   4.252  -3.895
   43   1HG   GLN   8          2HG       GLN   8  -9.249   6.988  -5.098
   44   2HG   GLN   8          1HG       GLN   8  -8.401   5.729  -5.998
   45   1HE2  GLN   8          2HE2      GLN   8 -11.358   3.942  -6.808
   46   2HE2  GLN   8          1HE2      GLN   8  -9.661   3.940  -6.839
   47    H    CYS   9           H        CYS   9  -7.883   5.881  -0.587
   48    HA   CYS   9           HA       CYS   9  -9.679   3.854   0.664
   49   1HB   CYS   9          2HB       CYS   9  -6.861   3.547  -0.132
   50   2HB   CYS   9          1HB       CYS   9  -7.183   3.106   1.542
   51    H    ILE  10           H        ILE  10 -10.433   4.894   2.440
   52    HA   ILE  10           HA       ILE  10  -9.010   6.994   3.828
   53    HB   ILE  10           HB       ILE  10 -11.278   5.228   4.830
   54   1HG1  ILE  10          2HG1      ILE  10 -11.970   7.953   4.066
   55   2HG1  ILE  10          1HG1      ILE  10 -11.274   7.072   2.706
   56   1HG2  ILE  10          3HG2      ILE  10 -10.179   7.893   5.770
   57   2HG2  ILE  10          2HG2      ILE  10 -11.719   7.223   6.308
   58   3HG2  ILE  10          1HG2      ILE  10 -10.215   6.379   6.673
   59   1HD1  ILE  10          1HD1      ILE  10 -12.871   5.159   3.341
   60   2HD1  ILE  10          3HD1      ILE  10 -13.695   6.341   4.358
   61   3HD1  ILE  10          2HD1      ILE  10 -13.600   6.592   2.615
   62    H    LYS  11           H        LYS  11  -9.289   3.504   4.181
   63    HA   LYS  11           HA       LYS  11  -7.225   3.572   6.350
   64   1HB   LYS  11          2HB       LYS  11  -8.090   1.303   6.978
   65   2HB   LYS  11          1HB       LYS  11  -9.300   2.570   7.168
   66   1HG   LYS  11          2HG       LYS  11 -10.392   1.949   5.112
   67   2HG   LYS  11          1HG       LYS  11  -9.079   0.852   4.680
   68   1HD   LYS  11          2HD       LYS  11 -10.500   0.419   7.282
   69   2HD   LYS  11          1HD       LYS  11 -11.304  -0.073   5.791
   70   1HE   LYS  11          2HE       LYS  11  -8.960  -1.173   5.254
   71   2HE   LYS  11          1HE       LYS  11  -8.767  -1.113   7.006
   72   1HZ   LYS  11          2HZ       LYS  11 -10.857  -2.303   7.242
   73   2HZ   LYS  11          1HZ       LYS  11 -11.035  -2.367   5.553
   74   3HZ   LYS  11          3HZ       LYS  11  -9.759  -3.196   6.302
   75    H    THR  12           H        THR  12  -5.432   2.090   6.074
   76    HA   THR  12           HA       THR  12  -5.249   0.983   3.301
   77    HB   THR  12           HB       THR  12  -2.643   1.243   4.085
   78    HG1  THR  12           HG1      THR  12  -3.867   3.654   4.864
   79   1HG2  THR  12          3HG2      THR  12  -4.410   3.217   2.632
   80   2HG2  THR  12          2HG2      THR  12  -2.647   3.200   2.565
   81   3HG2  THR  12          1HG2      THR  12  -3.568   1.841   1.922
   82    OH   TYR  13           OH       TYR  13  -3.099  -8.715   4.374
   83    H    TYR  13           H        TYR  13  -3.115  -0.550   3.356
   84    HA   TYR  13           HA       TYR  13  -3.906  -2.769   5.146
   85   1HB   TYR  13          2HB       TYR  13  -3.560  -2.891   2.560
   86   2HB   TYR  13          1HB       TYR  13  -1.847  -2.907   2.956
   87    HD1  TYR  13           HD2      TYR  13  -4.419  -4.409   5.128
   88    HD2  TYR  13           HD1      TYR  13  -1.422  -5.104   2.136
   89    HE1  TYR  13           HE2      TYR  13  -4.526  -6.850   5.597
   90    HE2  TYR  13           HE1      TYR  13  -1.527  -7.549   2.596
   91    HH   TYR  13           HH       TYR  13  -2.715  -8.879   5.237
   92    H    SER  14           H        SER  14  -2.783  -2.989   7.011
   93    HA   SER  14           HA       SER  14  -0.061  -1.839   7.240
   94   1HB   SER  14          2HB       SER  14  -0.318  -2.429   9.663
   95   2HB   SER  14          1HB       SER  14  -1.590  -1.363   9.079
   96    HG   SER  14           HG       SER  14  -2.218  -3.298  10.353
   97    H    LYS  15           H        LYS  15  -1.693  -4.960   7.120
   98    HA   LYS  15           HA       LYS  15   0.680  -6.462   7.899
   99   1HB   LYS  15          2HB       LYS  15  -1.304  -7.897   6.279
  100   2HB   LYS  15          1HB       LYS  15  -0.640  -8.306   7.842
  101   1HG   LYS  15          2HG       LYS  15  -2.130  -6.506   8.841
  102   2HG   LYS  15          1HG       LYS  15  -2.926  -6.411   7.269
  103   1HD   LYS  15          2HD       LYS  15  -3.484  -8.808   7.397
  104   2HD   LYS  15          1HD       LYS  15  -2.683  -8.914   8.966
  105   1HE   LYS  15          2HE       LYS  15  -4.808  -6.835   8.601
  106   2HE   LYS  15          1HE       LYS  15  -5.309  -8.514   8.796
  107   1HZ   LYS  15          3HZ       LYS  15  -3.966  -8.613  10.828
  108   2HZ   LYS  15          2HZ       LYS  15  -3.576  -6.969  10.650
  109   3HZ   LYS  15          1HZ       LYS  15  -5.184  -7.437  10.930
  110    HA   PRO  16           HA       PRO  16   2.462  -6.256   3.866
  111   1HB   PRO  16          2HB       PRO  16   4.592  -7.877   4.416
  112   2HB   PRO  16          1HB       PRO  16   4.471  -6.215   4.972
  113   1HG   PRO  16          2HG       PRO  16   4.216  -8.719   6.539
  114   2HG   PRO  16          1HG       PRO  16   4.602  -7.083   7.098
  115   1HD   PRO  16          2HD       PRO  16   2.059  -8.417   7.254
  116   2HD   PRO  16          1HD       PRO  16   2.422  -6.746   7.722
  117    H    PHE  17           H        PHE  17   2.975  -7.689   2.050
  118    HA   PHE  17           HA       PHE  17   2.447 -10.544   2.249
  119   1HB   PHE  17          2HB       PHE  17   0.448 -10.692   0.949
  120   2HB   PHE  17          1HB       PHE  17   0.128  -9.505   2.206
  121    HD1  PHE  17           HD2      PHE  17   0.581  -6.988   1.559
  122    HD2  PHE  17           HD1      PHE  17   0.026 -10.163  -1.282
  123    HE1  PHE  17           HE2      PHE  17  -0.011  -5.329  -0.187
  124    HE2  PHE  17           HE1      PHE  17  -0.568  -8.503  -3.023
  125    HZ   PHE  17           HZ       PHE  17  -0.586  -6.086  -2.474
  126    H    HIS  18           H        HIS  18   2.909 -11.673   0.230
  127    HA   HIS  18           HA       HIS  18   5.098 -10.554  -1.212
  128   1HB   HIS  18          2HB       HIS  18   5.016 -12.896  -0.987
  129   2HB   HIS  18          1HB       HIS  18   3.372 -12.974  -1.607
  130    HD1  HIS  18           HD1      HIS  18   6.943 -12.681  -2.728
  131    HD2  HIS  18           HD2      HIS  18   3.139 -12.705  -4.356
  132    HE1  HIS  18           HE1      HIS  18   7.231 -12.926  -5.241
  133    HA   PRO  19           HA       PRO  19   3.062  -7.996  -4.123
  134   1HB   PRO  19          2HB       PRO  19   5.197  -7.561  -5.775
  135   2HB   PRO  19          1HB       PRO  19   5.005  -6.811  -4.182
  136   1HG   PRO  19          2HG       PRO  19   6.792  -9.056  -4.999
  137   2HG   PRO  19          1HG       PRO  19   7.014  -7.853  -3.717
  138   1HD   PRO  19          2HD       PRO  19   6.172 -10.511  -3.339
  139   2HD   PRO  19          1HD       PRO  19   6.031  -9.207  -2.146
  140    H    LYS  20           H        LYS  20   5.020 -10.607  -5.665
  141    HA   LYS  20           HA       LYS  20   4.005 -10.327  -8.255
  142   1HB   LYS  20          2HB       LYS  20   5.753 -12.038  -7.233
  143   2HB   LYS  20          1HB       LYS  20   4.359 -13.101  -7.351
  144   1HG   LYS  20          2HG       LYS  20   4.236 -12.930  -9.668
  145   2HG   LYS  20          1HG       LYS  20   5.054 -11.367  -9.689
  146   1HD   LYS  20          2HD       LYS  20   7.072 -12.783  -8.707
  147   2HD   LYS  20          1HD       LYS  20   6.225 -14.117  -9.491
  148   1HE   LYS  20          2HE       LYS  20   6.518 -13.234 -11.624
  149   2HE   LYS  20          1HE       LYS  20   6.672 -11.581 -11.029
  150   1HZ   LYS  20          2HZ       LYS  20   8.675 -13.738 -10.623
  151   2HZ   LYS  20          1HZ       LYS  20   8.794 -12.498 -11.777
  152   3HZ   LYS  20          3HZ       LYS  20   8.828 -12.121 -10.125
  153    H    PHE  21           H        PHE  21   2.271 -11.546  -5.475
  154    HA   PHE  21           HA       PHE  21   0.225 -13.027  -6.805
  155   1HB   PHE  21          2HB       PHE  21  -0.009 -11.323  -4.349
  156   2HB   PHE  21          1HB       PHE  21  -1.149 -12.549  -4.838
  157    HD1  PHE  21           HD1      PHE  21   1.285 -14.417  -5.836
  158    HD2  PHE  21           HD2      PHE  21   0.273 -12.424  -2.163
  159    HE1  PHE  21           HE1      PHE  21   2.576 -16.101  -4.556
  160    HE2  PHE  21           HE2      PHE  21   1.566 -14.108  -0.889
  161    HZ   PHE  21           HZ       PHE  21   2.717 -15.952  -2.087
  162    H    ILE  22           H        ILE  22   0.680  -9.607  -6.129
  163    HA   ILE  22           HA       ILE  22  -1.853  -8.598  -6.936
  164    HB   ILE  22           HB       ILE  22   0.879  -7.292  -7.146
  165   1HG1  ILE  22          2HG1      ILE  22  -1.072  -6.751  -4.937
  166   2HG1  ILE  22          1HG1      ILE  22  -0.126  -8.237  -4.861
  167   1HG2  ILE  22          1HG2      ILE  22  -1.941  -6.272  -7.341
  168   2HG2  ILE  22          3HG2      ILE  22  -0.649  -5.217  -6.772
  169   3HG2  ILE  22          2HG2      ILE  22  -0.566  -5.923  -8.385
  170   1HD1  ILE  22          3HD1      ILE  22   1.853  -6.531  -5.487
  171   2HD1  ILE  22          2HD1      ILE  22   0.778  -5.407  -4.658
  172   3HD1  ILE  22          1HD1      ILE  22   1.372  -6.839  -3.820
  173    H    LYS  23           H        LYS  23  -2.779  -8.529  -8.900
  174    HA   LYS  23           HA       LYS  23  -1.164  -9.140 -11.307
  175   1HB   LYS  23          2HB       LYS  23  -3.403 -10.249 -10.844
  176   2HB   LYS  23          1HB       LYS  23  -4.156  -8.679 -11.121
  177   1HG   LYS  23          2HG       LYS  23  -4.024  -8.943 -13.355
  178   2HG   LYS  23          1HG       LYS  23  -2.297  -9.288 -13.258
  179   1HD   LYS  23          2HD       LYS  23  -2.737 -11.628 -12.773
  180   2HD   LYS  23          1HD       LYS  23  -4.472 -11.321 -12.684
  181   1HE   LYS  23          2HE       LYS  23  -4.207 -12.161 -14.862
  182   2HE   LYS  23          1HE       LYS  23  -4.197 -10.417 -15.116
  183   1HZ   LYS  23          3HZ       LYS  23  -1.741 -12.043 -14.749
  184   2HZ   LYS  23          2HZ       LYS  23  -2.384 -11.637 -16.267
  185   3HZ   LYS  23          1HZ       LYS  23  -1.834 -10.416 -15.222
  186    H    GLU  24           H        GLU  24  -2.632  -6.429  -9.681
  187    HA   GLU  24           HA       GLU  24  -1.670  -4.649 -11.847
  188   1HB   GLU  24          2HB       GLU  24  -4.348  -5.303 -11.700
  189   2HB   GLU  24          1HB       GLU  24  -4.274  -3.815 -10.758
  190   1HG   GLU  24          2HG       GLU  24  -2.990  -2.771 -12.657
  191   2HG   GLU  24          1HG       GLU  24  -3.318  -4.224 -13.601
  192    HA   LEU  25           HA       LEU  25  -1.022  -2.614  -7.883
  193   1HB   LEU  25          2HB       LEU  25   0.996  -3.932  -7.726
  194   2HB   LEU  25          1HB       LEU  25   1.756  -3.013  -9.026
  195    HG   LEU  25           HG       LEU  25   0.777  -1.336  -6.811
  196   1HD1  LEU  25          1HD1      LEU  25   1.680  -3.576  -5.790
  197   2HD1  LEU  25          3HD1      LEU  25   3.256  -2.914  -6.224
  198   3HD1  LEU  25          2HD1      LEU  25   2.203  -2.032  -5.116
  199   1HD2  LEU  25          1HD2      LEU  25   2.931  -1.444  -8.784
  200   2HD2  LEU  25          3HD2      LEU  25   2.229  -0.046  -7.970
  201   3HD2  LEU  25          2HD2      LEU  25   3.517  -0.965  -7.192
  202    NH1  ARG  26           NH1      ARG  26  -6.692   3.111  -9.527
  203    NH2  ARG  26           NH2      ARG  26  -7.612   1.874 -11.193
  204    H    ARG  26           H        ARG  26  -1.951  -0.606  -8.232
  205    HA   ARG  26           HA       ARG  26  -0.241   1.323  -9.719
  206   1HB   ARG  26          2HB       ARG  26  -2.361   2.536 -10.337
  207   2HB   ARG  26          1HB       ARG  26  -2.226   0.930 -11.051
  208   1HG   ARG  26          2HG       ARG  26  -3.533   0.198  -8.863
  209   2HG   ARG  26          1HG       ARG  26  -4.041   1.886  -8.864
  210   1HD   ARG  26          2HD       ARG  26  -4.214   0.303 -11.408
  211   2HD   ARG  26          1HD       ARG  26  -5.458   0.091 -10.176
  212    HE   ARG  26           HE       ARG  26  -4.893   2.634 -11.624
  213   1HH1  ARG  26          2HH1      ARG  26  -5.883   3.466  -9.059
  214   2HH1  ARG  26          1HH1      ARG  26  -7.606   3.345  -9.194
  215   1HH2  ARG  26          1HH2      ARG  26  -7.504   1.285 -11.993
  216   2HH2  ARG  26          2HH2      ARG  26  -8.527   2.106 -10.863
  217    H    VAL  27           H        VAL  27   0.562   2.845  -8.362
  218    HA   VAL  27           HA       VAL  27  -0.736   3.308  -5.752
  219    HB   VAL  27           HB       VAL  27   1.319   4.692  -5.323
  220   1HG1  VAL  27          2HG1      VAL  27   1.062   2.164  -4.902
  221   2HG1  VAL  27          1HG1      VAL  27   2.074   1.953  -6.331
  222   3HG1  VAL  27          3HG1      VAL  27   2.702   2.813  -4.924
  223   1HG2  VAL  27          2HG2      VAL  27   1.619   5.032  -7.910
  224   2HG2  VAL  27          1HG2      VAL  27   3.048   4.882  -6.888
  225   3HG2  VAL  27          3HG2      VAL  27   2.482   3.498  -7.824
  226    H    ILE  28           H        ILE  28  -1.410   5.410  -5.054
  227    HA   ILE  28           HA       ILE  28  -2.179   7.204  -7.304
  228    HB   ILE  28           HB       ILE  28  -3.087   7.296  -4.410
  229   1HG1  ILE  28          2HG1      ILE  28  -3.757   5.154  -5.329
  230   2HG1  ILE  28          1HG1      ILE  28  -5.173   6.204  -5.309
  231   1HG2  ILE  28          2HG2      ILE  28  -3.962   8.646  -6.964
  232   2HG2  ILE  28          1HG2      ILE  28  -5.062   8.475  -5.597
  233   3HG2  ILE  28          3HG2      ILE  28  -3.562   9.383  -5.412
  234   1HD1  ILE  28          1HD1      ILE  28  -4.245   6.799  -7.768
  235   2HD1  ILE  28          3HD1      ILE  28  -3.625   5.153  -7.625
  236   3HD1  ILE  28          2HD1      ILE  28  -5.354   5.460  -7.475
  237    H    GLU  29           H        GLU  29  -1.593   9.404  -7.317
  238    HA   GLU  29           HA       GLU  29   0.859  10.054  -5.876
  239   1HB   GLU  29          2HB       GLU  29   0.640  12.242  -7.095
  240   2HB   GLU  29          1HB       GLU  29   0.684  10.836  -8.142
  241   1HG   GLU  29          2HG       GLU  29  -1.380  11.280  -8.954
  242   2HG   GLU  29          1HG       GLU  29  -2.041  11.471  -7.330
  243    H    SER  30           H        SER  30   0.982  12.334  -4.869
  244    HA   SER  30           HA       SER  30  -1.346  12.661  -3.020
  245   1HB   SER  30          2HB       SER  30   0.569  13.968  -1.714
  246   2HB   SER  30          1HB       SER  30   0.405  12.223  -1.582
  247    HG   SER  30           HG       SER  30   2.148  11.961  -2.805
  248    H    GLY  31           H        GLY  31  -1.781  14.907  -2.311
  249   1HA   GLY  31          2HA       GLY  31  -0.707  17.236  -3.517
  250   2HA   GLY  31          1HA       GLY  31  -2.061  16.716  -4.513
  251    HA   PRO  32           HA       PRO  32  -3.999  19.263  -1.233
  252   1HB   PRO  32          2HB       PRO  32  -5.918  20.298  -2.921
  253   2HB   PRO  32          1HB       PRO  32  -4.317  21.025  -2.694
  254   1HG   PRO  32          2HG       PRO  32  -5.342  19.406  -4.990
  255   2HG   PRO  32          1HG       PRO  32  -4.114  20.684  -4.977
  256   1HD   PRO  32          2HD       PRO  32  -3.569  17.934  -5.090
  257   2HD   PRO  32          1HD       PRO  32  -2.404  19.188  -4.615
  258    H    HIS  33           H        HIS  33  -5.405  17.235  -3.748
  259    HA   HIS  33           HA       HIS  33  -7.932  16.641  -2.602
  260   1HB   HIS  33          2HB       HIS  33  -7.820  14.567  -4.001
  261   2HB   HIS  33          1HB       HIS  33  -7.373  16.006  -4.910
  262    HD1  HIS  33           HD1      HIS  33  -4.770  16.372  -5.347
  263    HD2  HIS  33           HD2      HIS  33  -5.752  12.663  -3.721
  264    HE1  HIS  33           HE1      HIS  33  -2.684  14.959  -5.494
  265    H    CYS  34           H        CYS  34  -4.722  15.267  -2.027
  266    HA   CYS  34           HA       CYS  34  -5.494  14.271   0.561
  267   1HB   CYS  34          2HB       CYS  34  -6.092  12.501  -1.421
  268   2HB   CYS  34          1HB       CYS  34  -4.424  12.043  -1.074
  269    H    ALA  35           H        ALA  35  -3.733  15.087   1.606
  270    HA   ALA  35           HA       ALA  35  -1.161  15.458   0.404
  271   1HB   ALA  35          3HB       ALA  35  -1.982  16.719   2.395
  272   2HB   ALA  35          2HB       ALA  35  -1.818  15.249   3.356
  273   3HB   ALA  35          1HB       ALA  35  -0.389  16.007   2.653
  274    H    ASN  36           H        ASN  36  -2.467  12.849   2.437
  275    HA   ASN  36           HA       ASN  36   0.087  11.448   2.588
  276   1HB   ASN  36          2HB       ASN  36  -2.719  10.919   3.471
  277   2HB   ASN  36          1HB       ASN  36  -1.640   9.536   3.296
  278   1HD2  ASN  36          2HD2      ASN  36  -1.318  11.744   6.588
  279   2HD2  ASN  36          1HD2      ASN  36  -2.676  11.734   5.570
  280    H    THR  37           H        THR  37   0.868   9.941   1.180
  281    HA   THR  37           HA       THR  37  -0.502   9.510  -1.361
  282    HB   THR  37           HB       THR  37   1.846   7.837  -0.537
  283    HG1  THR  37           HG1      THR  37   1.934  10.621  -1.084
  284   1HG2  THR  37          3HG2      THR  37   0.930   9.280  -3.028
  285   2HG2  THR  37          2HG2      THR  37   2.530   8.550  -2.892
  286   3HG2  THR  37          1HG2      THR  37   1.087   7.541  -2.777
  287    H    GLU  38           H        GLU  38  -1.278   7.430  -2.140
  288    HA   GLU  38           HA       GLU  38  -1.620   5.332  -0.048
  289   1HB   GLU  38          2HB       GLU  38  -3.668   7.060  -0.694
  290   2HB   GLU  38          1HB       GLU  38  -3.976   5.702  -1.776
  291   1HG   GLU  38          2HG       GLU  38  -5.124   5.062   0.165
  292   2HG   GLU  38          1HG       GLU  38  -3.577   4.236   0.354
  293    H    ILE  39           H        ILE  39  -1.197   3.331  -0.843
  294    HA   ILE  39           HA       ILE  39  -0.704   3.047  -3.753
  295    HB   ILE  39           HB       ILE  39  -0.172   1.285  -1.338
  296   1HG1  ILE  39          2HG1      ILE  39   2.182   1.670  -2.728
  297   2HG1  ILE  39          1HG1      ILE  39   1.354   3.206  -2.969
  298   1HG2  ILE  39          3HG2      ILE  39   0.173   0.675  -4.283
  299   2HG2  ILE  39          2HG2      ILE  39   1.071  -0.174  -3.025
  300   3HG2  ILE  39          1HG2      ILE  39  -0.689  -0.277  -3.073
  301   1HD1  ILE  39          2HD1      ILE  39   1.277   2.114  -0.209
  302   2HD1  ILE  39          1HD1      ILE  39   2.852   2.665  -0.780
  303   3HD1  ILE  39          3HD1      ILE  39   1.485   3.777  -0.758
  304    H    ILE  40           H        ILE  40  -1.736   1.252  -4.962
  305    HA   ILE  40           HA       ILE  40  -4.118   0.037  -3.685
  306    HB   ILE  40           HB       ILE  40  -4.347   1.517  -6.322
  307   1HG1  ILE  40          2HG1      ILE  40  -5.528   2.246  -3.621
  308   2HG1  ILE  40          1HG1      ILE  40  -4.094   3.011  -4.303
  309   1HG2  ILE  40          2HG2      ILE  40  -6.280  -0.010  -4.554
  310   2HG2  ILE  40          1HG2      ILE  40  -6.813   1.068  -5.844
  311   3HG2  ILE  40          3HG2      ILE  40  -5.851  -0.359  -6.229
  312   1HD1  ILE  40          2HD1      ILE  40  -5.479   3.604  -6.332
  313   2HD1  ILE  40          1HD1      ILE  40  -6.896   3.024  -5.457
  314   3HD1  ILE  40          3HD1      ILE  40  -5.987   4.407  -4.847
  315    H    VAL  41           H        VAL  41  -3.625  -2.041  -3.979
  316    HA   VAL  41           HA       VAL  41  -2.562  -2.935  -6.602
  317    HB   VAL  41           HB       VAL  41  -1.780  -4.923  -5.365
  318   1HG1  VAL  41          3HG1      VAL  41  -0.338  -2.908  -5.563
  319   2HG1  VAL  41          2HG1      VAL  41  -0.968  -2.337  -4.019
  320   3HG1  VAL  41          1HG1      VAL  41  -0.014  -3.819  -4.089
  321   1HG2  VAL  41          3HG2      VAL  41  -3.707  -4.366  -3.542
  322   2HG2  VAL  41          2HG2      VAL  41  -2.310  -5.382  -3.189
  323   3HG2  VAL  41          1HG2      VAL  41  -2.301  -3.679  -2.728
  324    H    LYS  42           H        LYS  42  -3.349  -5.166  -7.240
  325    HA   LYS  42           HA       LYS  42  -6.148  -5.694  -6.362
  326   1HB   LYS  42          2HB       LYS  42  -5.300  -4.750  -8.940
  327   2HB   LYS  42          1HB       LYS  42  -5.895  -6.401  -9.116
  328   1HG   LYS  42          2HG       LYS  42  -7.989  -5.808  -8.014
  329   2HG   LYS  42          1HG       LYS  42  -7.392  -4.179  -7.695
  330   1HD   LYS  42          2HD       LYS  42  -8.680  -3.877  -9.634
  331   2HD   LYS  42          1HD       LYS  42  -7.050  -4.060 -10.282
  332   1HE   LYS  42          2HE       LYS  42  -7.453  -6.399 -10.792
  333   2HE   LYS  42          1HE       LYS  42  -9.021  -6.347  -9.988
  334   1HZ   LYS  42          1HZ       LYS  42  -8.264  -4.764 -12.386
  335   2HZ   LYS  42          3HZ       LYS  42  -9.232  -6.156 -12.393
  336   3HZ   LYS  42          2HZ       LYS  42  -9.780  -4.747 -11.619
  337    H    LEU  43           H        LEU  43  -5.759  -7.595  -5.265
  338    HA   LEU  43           HA       LEU  43  -3.783  -9.527  -5.865
  339   1HB   LEU  43          2HB       LEU  43  -6.381  -9.621  -4.366
  340   2HB   LEU  43          1HB       LEU  43  -5.436 -11.081  -4.589
  341    HG   LEU  43           HG       LEU  43  -4.330  -8.514  -3.415
  342   1HD1  LEU  43          1HD1      LEU  43  -6.082  -9.556  -1.973
  343   2HD1  LEU  43          3HD1      LEU  43  -5.159 -11.059  -1.986
  344   3HD1  LEU  43          2HD1      LEU  43  -4.479  -9.612  -1.241
  345   1HD2  LEU  43          3HD2      LEU  43  -3.258 -11.312  -3.819
  346   2HD2  LEU  43          2HD2      LEU  43  -2.527  -9.779  -4.295
  347   3HD2  LEU  43          1HD2      LEU  43  -2.578 -10.239  -2.594
  348    H    SER  44           H        SER  44  -3.839 -11.465  -6.987
  349    HA   SER  44           HA       SER  44  -5.215 -11.600  -9.440
  350   1HB   SER  44          2HB       SER  44  -3.104 -12.880  -8.620
  351   2HB   SER  44          1HB       SER  44  -4.254 -14.075  -8.027
  352    HG   SER  44           HG       SER  44  -4.712 -14.624 -10.023
  353    H    ASP  45           H        ASP  45  -6.282 -12.579  -6.264
  354    HA   ASP  45           HA       ASP  45  -8.331 -14.396  -7.191
  355   1HB   ASP  45          2HB       ASP  45  -7.934 -13.025  -4.521
  356   2HB   ASP  45          1HB       ASP  45  -9.122 -14.291  -4.830
  357    H    GLY  46           H        GLY  46  -8.168 -11.261  -7.883
  358   1HA   GLY  46          2HA       GLY  46  -9.840  -9.782  -8.619
  359   2HA   GLY  46          1HA       GLY  46 -11.053 -10.930  -8.053
  360    NH1  ARG  47           NH1      ARG  47  -8.234  -9.886   1.764
  361    NH2  ARG  47           NH2      ARG  47 -10.135 -11.116   1.860
  362    H    ARG  47           H        ARG  47  -8.433  -9.722  -6.004
  363    HA   ARG  47           HA       ARG  47 -10.523  -8.419  -4.303
  364   1HB   ARG  47          2HB       ARG  47  -8.986 -10.351  -3.466
  365   2HB   ARG  47          1HB       ARG  47  -7.736  -9.111  -3.403
  366   1HG   ARG  47          2HG       ARG  47  -8.635  -8.141  -1.560
  367   2HG   ARG  47          1HG       ARG  47 -10.278  -8.263  -2.194
  368   1HD   ARG  47          2HD       ARG  47 -10.473 -10.547  -1.483
  369   2HD   ARG  47          1HD       ARG  47  -8.753 -10.641  -1.105
  370    HE   ARG  47           HE       ARG  47 -10.440  -8.713   0.413
  371   1HH1  ARG  47          1HH1      ARG  47  -7.869 -10.387   2.550
  372   2HH1  ARG  47          2HH1      ARG  47  -7.689  -9.165   1.335
  373   1HH2  ARG  47          1HH2      ARG  47 -11.043 -11.337   1.503
  374   2HH2  ARG  47          2HH2      ARG  47  -9.771 -11.618   2.645
  375    H    GLU  48           H        GLU  48  -9.790  -6.435  -3.138
  376    HA   GLU  48           HA       GLU  48  -7.702  -4.895  -4.618
  377   1HB   GLU  48          2HB       GLU  48 -10.297  -4.395  -5.101
  378   2HB   GLU  48          1HB       GLU  48 -10.119  -3.439  -3.628
  379   1HG   GLU  48          2HG       GLU  48  -7.900  -2.619  -4.870
  380   2HG   GLU  48          1HG       GLU  48  -8.829  -3.068  -6.300
  381    H    LEU  49           H        LEU  49  -6.199  -4.250  -3.165
  382    HA   LEU  49           HA       LEU  49  -7.106  -3.500  -0.415
  383   1HB   LEU  49          2HB       LEU  49  -5.401  -5.739  -1.156
  384   2HB   LEU  49          1HB       LEU  49  -4.544  -4.591  -0.130
  385    HG   LEU  49           HG       LEU  49  -6.747  -4.667   1.309
  386   1HD1  LEU  49          3HD1      LEU  49  -7.739  -6.219  -0.564
  387   2HD1  LEU  49          2HD1      LEU  49  -6.813  -7.480   0.249
  388   3HD1  LEU  49          1HD1      LEU  49  -8.060  -6.594   1.129
  389   1HD2  LEU  49          3HD2      LEU  49  -4.366  -5.516   1.817
  390   2HD2  LEU  49          2HD2      LEU  49  -5.684  -6.267   2.715
  391   3HD2  LEU  49          1HD2      LEU  49  -4.959  -7.108   1.345
  392    H    CYS  50           H        CYS  50  -6.428  -1.442  -0.065
  393    HA   CYS  50           HA       CYS  50  -4.255  -0.307  -1.671
  394   1HB   CYS  50          2HB       CYS  50  -5.588   1.048   0.607
  395   2HB   CYS  50          1HB       CYS  50  -4.854   1.773  -0.793
  396    H    LEU  51           H        LEU  51  -2.220   0.138  -0.858
  397    HA   LEU  51           HA       LEU  51  -1.607  -1.129   1.722
  398   1HB   LEU  51          2HB       LEU  51   0.303  -0.198  -0.404
  399   2HB   LEU  51          1HB       LEU  51   0.669  -1.210   0.973
  400    HG   LEU  51           HG       LEU  51  -0.814  -1.918  -1.533
  401   1HD1  LEU  51          1HD1      LEU  51   1.649  -2.452  -0.911
  402   2HD1  LEU  51          3HD1      LEU  51   0.953  -3.649   0.179
  403   3HD1  LEU  51          2HD1      LEU  51   0.650  -3.756  -1.554
  404   1HD2  LEU  51          3HD2      LEU  51  -1.357  -2.985   1.232
  405   2HD2  LEU  51          2HD2      LEU  51  -2.498  -2.651  -0.069
  406   3HD2  LEU  51          1HD2      LEU  51  -1.457  -4.070  -0.153
  407    H    ASP  52           H        ASP  52  -0.220  -0.154   3.205
  408    HA   ASP  52           HA       ASP  52  -0.528   2.789   3.359
  409   1HB   ASP  52          2HB       ASP  52  -1.238   1.155   5.226
  410   2HB   ASP  52          1HB       ASP  52   0.482   0.936   5.528
  411    HA   PRO  53           HA       PRO  53   3.781   2.938   2.155
  412   1HB   PRO  53          2HB       PRO  53   3.915   5.694   2.134
  413   2HB   PRO  53          1HB       PRO  53   3.283   4.717   0.797
  414   1HG   PRO  53          2HG       PRO  53   1.786   6.319   2.832
  415   2HG   PRO  53          1HG       PRO  53   1.348   5.940   1.158
  416   1HD   PRO  53          2HD       PRO  53   0.288   4.666   3.411
  417   2HD   PRO  53          1HD       PRO  53   0.256   4.007   1.762
  418    H    LYS  54           H        LYS  54   2.328   3.900   5.103
  419    HA   LYS  54           HA       LYS  54   4.484   5.199   6.409
  420   1HB   LYS  54          2HB       LYS  54   1.901   4.237   7.110
  421   2HB   LYS  54          1HB       LYS  54   3.041   3.566   8.272
  422   1HG   LYS  54          2HG       LYS  54   2.800   5.573   9.316
  423   2HG   LYS  54          1HG       LYS  54   3.934   6.144   8.092
  424   1HD   LYS  54          2HD       LYS  54   2.308   7.631   7.547
  425   2HD   LYS  54          1HD       LYS  54   1.530   6.264   6.749
  426   1HE   LYS  54          2HE       LYS  54  -0.205   6.889   8.126
  427   2HE   LYS  54          1HE       LYS  54   0.643   5.818   9.240
  428   1HZ   LYS  54          1HZ       LYS  54   1.025   8.761   9.068
  429   2HZ   LYS  54          3HZ       LYS  54   0.109   7.961  10.250
  430   3HZ   LYS  54          2HZ       LYS  54   1.787   7.716  10.170
  431    H    GLU  55           H        GLU  55   3.907   1.801   5.652
  432    HA   GLU  55           HA       GLU  55   6.022   0.895   7.492
  433   1HB   GLU  55          2HB       GLU  55   4.181  -0.470   5.540
  434   2HB   GLU  55          1HB       GLU  55   5.566  -1.313   6.199
  435   1HG   GLU  55          2HG       GLU  55   4.260  -0.025   8.362
  436   2HG   GLU  55          1HG       GLU  55   3.027  -0.869   7.433
  437    H    ASN  56           H        ASN  56   7.709  -0.581   6.451
  438    HA   ASN  56           HA       ASN  56   8.919   0.860   4.160
  439   1HB   ASN  56          2HB       ASN  56   9.936  -0.398   6.510
  440   2HB   ASN  56          1HB       ASN  56  10.648  -1.153   5.090
  441   1HD2  ASN  56          2HD2      ASN  56  11.370   2.840   5.776
  442   2HD2  ASN  56          1HD2      ASN  56  10.006   2.114   6.477
  443    CH2  TRP  57           CH2      TRP  57   1.554  -4.366   2.451
  444    H    TRP  57           H        TRP  57   7.246  -2.046   4.895
  445    HA   TRP  57           HA       TRP  57   8.388  -3.618   2.765
  446   1HB   TRP  57          2HB       TRP  57   6.827  -5.297   3.397
  447   2HB   TRP  57          1HB       TRP  57   7.358  -4.547   4.871
  448    HD1  TRP  57           HD1      TRP  57   5.601  -3.422   6.332
  449    HE1  TRP  57           HE1      TRP  57   3.045  -3.263   6.237
  450    HE3  TRP  57           HE3      TRP  57   4.789  -4.969   1.555
  451    HZ2  TRP  57           HZ2      TRP  57   0.920  -3.668   4.387
  452    HZ3  TRP  57           HZ3      TRP  57   2.494  -5.042   0.640
  453    HH2  TRP  57           HH2      TRP  57   0.554  -4.406   2.044
  454    H    VAL  58           H        VAL  58   5.531  -1.588   3.193
  455    HA   VAL  58           HA       VAL  58   4.267  -2.296   0.703
  456    HB   VAL  58           HB       VAL  58   4.091   0.038   2.584
  457   1HG1  VAL  58          1HG1      VAL  58   2.898  -0.147  -0.181
  458   2HG1  VAL  58          3HG1      VAL  58   2.149   0.821   1.089
  459   3HG1  VAL  58          2HG1      VAL  58   3.781   1.200   0.541
  460   1HG2  VAL  58          2HG2      VAL  58   2.315  -2.207   1.689
  461   2HG2  VAL  58          1HG2      VAL  58   2.826  -1.784   3.322
  462   3HG2  VAL  58          3HG2      VAL  58   1.641  -0.786   2.483
  463    H    GLN  59           H        GLN  59   6.579   0.288   1.581
  464    HA   GLN  59           HA       GLN  59   6.705   1.343  -1.102
  465   1HB   GLN  59          2HB       GLN  59   8.464   2.753  -0.284
  466   2HB   GLN  59          1HB       GLN  59   7.216   2.665   0.954
  467   1HG   GLN  59          2HG       GLN  59   8.519   0.797   2.007
  468   2HG   GLN  59          1HG       GLN  59   9.814   1.142   0.866
  469   1HE2  GLN  59          2HE2      GLN  59  11.006   3.908   2.709
  470   2HE2  GLN  59          1HE2      GLN  59  11.254   2.832   1.421
  471    NH1  ARG  60           NH2      ARG  60  16.023  -3.497   1.364
  472    NH2  ARG  60           NH1      ARG  60  15.576  -1.312   1.769
  473    H    ARG  60           H        ARG  60   8.466  -1.140   0.660
  474    HA   ARG  60           HA       ARG  60  10.585  -1.386  -1.345
  475   1HB   ARG  60          2HB       ARG  60  10.489  -2.183   1.211
  476   2HB   ARG  60          1HB       ARG  60   9.882  -3.661   0.470
  477   1HG   ARG  60          2HG       ARG  60  11.954  -4.230  -0.200
  478   2HG   ARG  60          1HG       ARG  60  12.150  -2.684  -1.025
  479   1HD   ARG  60          2HD       ARG  60  12.530  -1.764   1.416
  480   2HD   ARG  60          1HD       ARG  60  12.917  -3.447   1.775
  481    HE   ARG  60           HE       ARG  60  14.330  -2.444  -0.569
  482   1HH1  ARG  60          1HH2      ARG  60  15.792  -4.359   0.913
  483   2HH1  ARG  60          2HH2      ARG  60  16.827  -3.443   1.956
  484   1HH2  ARG  60          2HH1      ARG  60  15.002  -0.504   1.627
  485   2HH2  ARG  60          1HH1      ARG  60  16.379  -1.255   2.362
  486    H    VAL  61           H        VAL  61   7.529  -3.001  -0.550
  487    HA   VAL  61           HA       VAL  61   7.632  -5.097  -2.477
  488    HB   VAL  61           HB       VAL  61   5.433  -3.602  -1.067
  489   1HG1  VAL  61          3HG1      VAL  61   5.149  -5.128  -3.572
  490   2HG1  VAL  61          2HG1      VAL  61   4.081  -5.657  -2.272
  491   3HG1  VAL  61          1HG1      VAL  61   4.044  -3.980  -2.818
  492   1HG2  VAL  61          3HG2      VAL  61   6.702  -5.396   0.075
  493   2HG2  VAL  61          2HG2      VAL  61   5.003  -5.825  -0.125
  494   3HG2  VAL  61          1HG2      VAL  61   6.221  -6.527  -1.189
  495    H    VAL  62           H        VAL  62   6.513  -1.733  -2.734
  496    HA   VAL  62           HA       VAL  62   5.574  -1.899  -5.443
  497    HB   VAL  62           HB       VAL  62   6.609   0.442  -3.810
  498   1HG1  VAL  62          3HG1      VAL  62   5.322   0.362  -6.552
  499   2HG1  VAL  62          2HG1      VAL  62   5.397   1.820  -5.563
  500   3HG1  VAL  62          1HG1      VAL  62   6.885   1.056  -6.120
  501   1HG2  VAL  62          2HG2      VAL  62   4.280  -1.019  -3.562
  502   2HG2  VAL  62          1HG2      VAL  62   4.483   0.651  -3.037
  503   3HG2  VAL  62          3HG2      VAL  62   3.780   0.304  -4.616
  504    H    GLU  63           H        GLU  63   8.753  -0.992  -4.062
  505    HA   GLU  63           HA       GLU  63  10.010  -0.389  -6.546
  506   1HB   GLU  63          2HB       GLU  63  10.905  -0.952  -3.771
  507   2HB   GLU  63          1HB       GLU  63  12.101  -1.220  -5.038
  508   1HG   GLU  63          2HG       GLU  63  11.598   1.083  -5.910
  509   2HG   GLU  63          1HG       GLU  63  10.565   1.338  -4.504
  510    H    LYS  64           H        LYS  64   9.911  -3.413  -4.633
  511    HA   LYS  64           HA       LYS  64  11.501  -4.945  -6.438
  512   1HB   LYS  64          2HB       LYS  64  10.553  -5.407  -3.960
  513   2HB   LYS  64          1HB       LYS  64   9.369  -6.326  -4.890
  514   1HG   LYS  64          2HG       LYS  64  10.978  -7.788  -5.745
  515   2HG   LYS  64          1HG       LYS  64  12.297  -6.646  -5.489
  516   1HD   LYS  64          2HD       LYS  64  10.773  -7.713  -3.127
  517   2HD   LYS  64          1HD       LYS  64  12.040  -8.692  -3.866
  518   1HE   LYS  64          2HE       LYS  64  13.329  -6.309  -3.697
  519   2HE   LYS  64          1HE       LYS  64  12.264  -6.183  -2.298
  520   1HZ   LYS  64          3HZ       LYS  64  13.071  -8.383  -1.588
  521   2HZ   LYS  64          2HZ       LYS  64  14.175  -8.380  -2.880
  522   3HZ   LYS  64          1HZ       LYS  64  14.303  -7.221  -1.645
  523    H    PHE  65           H        PHE  65   8.108  -4.056  -6.432
  524    HA   PHE  65           HA       PHE  65   7.263  -6.060  -8.356
  525   1HB   PHE  65          2HB       PHE  65   5.876  -4.628  -6.634
  526   2HB   PHE  65          1HB       PHE  65   5.848  -3.448  -7.933
  527    HD1  PHE  65           HD1      PHE  65   5.424  -7.169  -7.546
  528    HD2  PHE  65           HD2      PHE  65   4.017  -3.535  -9.349
  529    HE1  PHE  65           HE1      PHE  65   3.597  -8.424  -8.658
  530    HE2  PHE  65           HE2      PHE  65   2.192  -4.790 -10.463
  531    HZ   PHE  65           HZ       PHE  65   1.983  -7.237 -10.118
  532    H    LEU  66           H        LEU  66   8.089  -2.582  -8.535
  533    HA   LEU  66           HA       LEU  66   7.672  -2.438 -11.408
  534   1HB   LEU  66          2HB       LEU  66   8.693  -0.623  -9.277
  535   2HB   LEU  66          1HB       LEU  66   9.253  -0.298 -10.916
  536    HG   LEU  66           HG       LEU  66   7.194   0.964 -10.429
  537   1HD1  LEU  66          1HD1      LEU  66   7.717  -0.168 -12.721
  538   2HD1  LEU  66          3HD1      LEU  66   6.385  -1.248 -12.305
  539   3HD1  LEU  66          2HD1      LEU  66   6.101   0.486 -12.450
  540   1HD2  LEU  66          3HD2      LEU  66   6.327  -0.763  -8.778
  541   2HD2  LEU  66          2HD2      LEU  66   5.120  -0.129  -9.895
  542   3HD2  LEU  66          1HD2      LEU  66   5.820  -1.724 -10.167
  543    H    LYS  67           H        LYS  67  10.657  -2.227  -9.438
  544    HA   LYS  67           HA       LYS  67  12.858  -2.834  -9.907
  545   1HB   LYS  67          2HB       LYS  67  11.301  -4.826 -11.545
  546   2HB   LYS  67          1HB       LYS  67  13.063  -4.799 -11.603
  547   1HG   LYS  67          2HG       LYS  67  11.787  -4.734  -8.908
  548   2HG   LYS  67          1HG       LYS  67  11.728  -6.258  -9.793
  549   1HD   LYS  67          2HD       LYS  67  14.210  -6.080 -10.139
  550   2HD   LYS  67          1HD       LYS  67  14.208  -4.667  -9.082
  551   1HE   LYS  67          2HE       LYS  67  13.719  -5.912  -7.185
  552   2HE   LYS  67          1HE       LYS  67  12.914  -7.186  -8.101
  553   1HZ   LYS  67          2HZ       LYS  67  15.837  -6.653  -8.123
  554   2HZ   LYS  67          1HZ       LYS  67  15.076  -7.886  -7.237
  555   3HZ   LYS  67          3HZ       LYS  67  15.041  -7.918  -8.932
  556    NH1  ARG  68           NH2      ARG  68  15.205  -1.076 -17.971
  557    NH2  ARG  68           NH1      ARG  68  16.507  -2.563 -19.080
  558    H    ARG  68           H        ARG  68  11.848  -3.571 -13.233
  559    HA   ARG  68           HA       ARG  68  13.671  -1.425 -14.173
  560   1HB   ARG  68          2HB       ARG  68  12.381  -3.810 -15.505
  561   2HB   ARG  68          1HB       ARG  68  13.164  -2.541 -16.443
  562   1HG   ARG  68          2HG       ARG  68  15.100  -2.985 -14.613
  563   2HG   ARG  68          1HG       ARG  68  14.370  -4.591 -14.658
  564   1HD   ARG  68          2HD       ARG  68  15.798  -4.866 -16.427
  565   2HD   ARG  68          1HD       ARG  68  14.486  -4.084 -17.309
  566    HE   ARG  68           HE       ARG  68  16.853  -2.581 -16.257
  567   1HH1  ARG  68          1HH2      ARG  68  14.777  -0.764 -17.123
  568   2HH1  ARG  68          2HH2      ARG  68  15.067  -0.562 -18.818
  569   1HH2  ARG  68          2HH1      ARG  68  17.073  -3.388 -19.080
  570   2HH2  ARG  68          1HH1      ARG  68  16.371  -2.051 -19.929
  571    H    ALA  69           H        ALA  69  12.792  -0.423 -16.378
  572    HA   ALA  69           HA       ALA  69  10.169   0.802 -15.713
  573   1HB   ALA  69          3HB       ALA  69  12.398   1.556 -17.613
  574   2HB   ALA  69          2HB       ALA  69  10.831   2.363 -17.638
  575   3HB   ALA  69          1HB       ALA  69  11.840   2.438 -16.192
  576    H    GLU  70           H        GLU  70   8.522   0.995 -17.401
  577    HA   GLU  70           HA       GLU  70   8.770  -1.039 -19.581
  578   1HB   GLU  70          2HB       GLU  70   6.542  -0.637 -17.590
  579   2HB   GLU  70          1HB       GLU  70   6.218  -1.351 -19.170
  580   1HG   GLU  70          2HG       GLU  70   8.053  -3.017 -18.707
  581   2HG   GLU  70          1HG       GLU  70   8.144  -2.376 -17.067
  582    H    ASN  71           H        ASN  71   6.549   1.564 -18.471
  583    HA   ASN  71           HA       ASN  71   6.644   2.654 -21.257
  584   1HB   ASN  71          2HB       ASN  71   4.473   1.483 -20.705
  585   2HB   ASN  71          1HB       ASN  71   4.215   2.687 -19.442
  586   1HD2  ASN  71          2HD2      ASN  71   3.926   3.837 -23.378
  587   2HD2  ASN  71          1HD2      ASN  71   4.756   2.408 -22.991
  588    H    SER  72           H        SER  72   5.555   3.551 -17.954
  589    HA   SER  72           HA       SER  72   5.802   5.519 -16.732
  590   1HB   SER  72          2HB       SER  72   7.960   6.344 -16.578
  591   2HB   SER  72          1HB       SER  72   8.271   4.787 -17.333
  592    HG   SER  72           HG       SER  72   8.727   7.274 -18.268
  593   1HC   CH3  25          1H        LEU  25  -0.229  -3.639 -11.876
  594   2HC   CH3  25          2H        LEU  25  -0.832  -2.036 -11.454
  595   3HC   CH3  25          3H        LEU  25   0.801  -2.519 -10.990
   
  Start of MODEL          24
 Raw file had  595 H/Q atoms
  Start of MODEL   24
    1   1H    GLU   4          1H        GLU   4 -12.524  15.579   3.631
    2   2H    GLU   4          3H        GLU   4 -13.555  16.558   2.706
    3   3H    GLU   4          2H        GLU   4 -14.208  15.411   3.776
    4    HA   GLU   4           HA       GLU   4 -13.360  13.603   2.467
    5   1HB   GLU   4          2HB       GLU   4 -14.939  15.750   1.047
    6   2HB   GLU   4          1HB       GLU   4 -14.570  14.219   0.251
    7   1HG   GLU   4          2HG       GLU   4 -15.777  14.244   3.012
    8   2HG   GLU   4          1HG       GLU   4 -16.802  14.418   1.589
    9    H    LEU   5           H        LEU   5 -11.850  12.867   0.951
   10    HA   LEU   5           HA       LEU   5 -10.274  14.959  -0.503
   11   1HB   LEU   5          2HB       LEU   5  -9.158  12.454   0.805
   12   2HB   LEU   5          1HB       LEU   5  -8.233  13.660  -0.084
   13    HG   LEU   5           HG       LEU   5  -9.568  15.212   1.760
   14   1HD1  LEU   5          3HD1      LEU   5 -10.355  13.108   2.878
   15   2HD1  LEU   5          2HD1      LEU   5  -8.670  12.679   3.167
   16   3HD1  LEU   5          1HD1      LEU   5  -9.354  14.118   3.921
   17   1HD2  LEU   5          2HD2      LEU   5  -7.138  15.226   1.073
   18   2HD2  LEU   5          1HD2      LEU   5  -7.397  15.465   2.801
   19   3HD2  LEU   5          3HD2      LEU   5  -6.872  13.894   2.197
   20    NH1  ARG   6           NH1      ARG   6  -9.560  17.845  -7.239
   21    NH2  ARG   6           NH2      ARG   6  -8.791  17.906  -5.107
   22    H    ARG   6           H        ARG   6  -8.984  13.943  -2.337
   23    HA   ARG   6           HA       ARG   6 -10.748  12.425  -4.032
   24   1HB   ARG   6          2HB       ARG   6  -8.309  13.889  -4.296
   25   2HB   ARG   6          1HB       ARG   6  -8.150  12.330  -5.102
   26   1HG   ARG   6          2HG       ARG   6  -9.143  13.490  -6.821
   27   2HG   ARG   6          1HG       ARG   6 -10.607  12.999  -5.969
   28   1HD   ARG   6          2HD       ARG   6 -10.983  15.282  -6.177
   29   2HD   ARG   6          1HD       ARG   6 -10.182  15.228  -4.607
   30    HE   ARG   6           HE       ARG   6  -8.154  15.526  -6.555
   31   1HH1  ARG   6          2HH1      ARG   6  -9.799  17.323  -8.059
   32   2HH1  ARG   6          1HH1      ARG   6  -9.668  18.839  -7.232
   33   1HH2  ARG   6          1HH2      ARG   6  -8.442  17.432  -4.298
   34   2HH2  ARG   6          2HH2      ARG   6  -8.896  18.900  -5.095
   35    H    CYS   7           H        CYS   7  -8.495  11.495  -1.662
   36    HA   CYS   7           HA       CYS   7  -7.353   9.122  -2.579
   37   1HB   CYS   7          2HB       CYS   7  -8.234  10.080   0.090
   38   2HB   CYS   7          1HB       CYS   7  -7.980   8.350  -0.069
   39    H    GLN   8           H        GLN   8  -8.216   7.252  -3.345
   40    HA   GLN   8           HA       GLN   8 -11.114   6.773  -3.055
   41   1HB   GLN   8          2HB       GLN   8  -8.905   5.538  -4.699
   42   2HB   GLN   8          1HB       GLN   8 -10.483   4.768  -4.564
   43   1HG   GLN   8          2HG       GLN   8 -11.332   7.227  -5.152
   44   2HG   GLN   8          1HG       GLN   8  -9.735   7.335  -5.894
   45   1HE2  GLN   8          2HE2      GLN   8 -12.603   5.008  -7.615
   46   2HE2  GLN   8          1HE2      GLN   8 -12.894   5.781  -6.132
   47    H    CYS   9           H        CYS   9  -8.587   6.201  -1.049
   48    HA   CYS   9           HA       CYS   9  -9.766   3.643  -0.072
   49   1HB   CYS   9          2HB       CYS   9  -6.934   4.317  -0.731
   50   2HB   CYS   9          1HB       CYS   9  -7.228   3.330   0.695
   51    H    ILE  10           H        ILE  10 -10.731   4.251   1.796
   52    HA   ILE  10           HA       ILE  10  -9.744   6.457   3.431
   53    HB   ILE  10           HB       ILE  10 -11.854   4.345   4.004
   54   1HG1  ILE  10          2HG1      ILE  10 -12.297   7.248   3.279
   55   2HG1  ILE  10          1HG1      ILE  10 -12.167   6.002   2.037
   56   1HG2  ILE  10          3HG2      ILE  10 -11.138   6.928   5.425
   57   2HG2  ILE  10          2HG2      ILE  10 -12.625   6.025   5.715
   58   3HG2  ILE  10          1HG2      ILE  10 -11.064   5.295   6.090
   59   1HD1  ILE  10          2HD1      ILE  10 -13.972   4.728   3.333
   60   2HD1  ILE  10          1HD1      ILE  10 -14.226   6.220   4.239
   61   3HD1  ILE  10          3HD1      ILE  10 -14.497   6.190   2.496
   62    H    LYS  11           H        LYS  11  -9.409   2.958   3.407
   63    HA   LYS  11           HA       LYS  11  -7.680   3.151   5.851
   64   1HB   LYS  11          2HB       LYS  11  -9.532   0.950   4.906
   65   2HB   LYS  11          1HB       LYS  11  -8.259   0.658   6.091
   66   1HG   LYS  11          2HG       LYS  11  -9.910   1.225   7.574
   67   2HG   LYS  11          1HG       LYS  11  -9.385   2.862   7.182
   68   1HD   LYS  11          2HD       LYS  11 -11.611   3.144   6.712
   69   2HD   LYS  11          1HD       LYS  11 -11.135   2.459   5.159
   70   1HE   LYS  11          2HE       LYS  11 -12.872   1.027   5.658
   71   2HE   LYS  11          1HE       LYS  11 -11.568   0.166   6.473
   72   1HZ   LYS  11          1HZ       LYS  11 -12.155   1.298   8.529
   73   2HZ   LYS  11          3HZ       LYS  11 -13.414   2.118   7.742
   74   3HZ   LYS  11          2HZ       LYS  11 -13.481   0.430   7.917
   75    H    THR  12           H        THR  12  -5.941   1.373   5.848
   76    HA   THR  12           HA       THR  12  -5.092   0.697   3.070
   77    HB   THR  12           HB       THR  12  -2.686   1.121   4.294
   78    HG1  THR  12           HG1      THR  12  -3.411   2.158   6.064
   79   1HG2  THR  12          1HG2      THR  12  -3.427   1.807   2.043
   80   2HG2  THR  12          3HG2      THR  12  -4.323   3.144   2.760
   81   3HG2  THR  12          2HG2      THR  12  -2.564   3.096   2.881
   82    OH   TYR  13           OH       TYR  13  -2.931  -8.825   4.498
   83    H    TYR  13           H        TYR  13  -2.744  -0.578   3.612
   84    HA   TYR  13           HA       TYR  13  -3.646  -2.907   5.237
   85   1HB   TYR  13          2HB       TYR  13  -3.241  -2.998   2.638
   86   2HB   TYR  13          1HB       TYR  13  -1.543  -3.042   3.099
   87    HD1  TYR  13           HD2      TYR  13  -4.217  -4.498   5.177
   88    HD2  TYR  13           HD1      TYR  13  -1.127  -5.252   2.298
   89    HE1  TYR  13           HE2      TYR  13  -4.376  -6.935   5.656
   90    HE2  TYR  13           HE1      TYR  13  -1.284  -7.693   2.768
   91    HH   TYR  13           HH       TYR  13  -2.555  -8.988   5.367
   92    H    SER  14           H        SER  14  -2.404  -3.448   6.961
   93    HA   SER  14           HA       SER  14   0.238  -2.100   7.273
   94   1HB   SER  14          2HB       SER  14  -1.761  -3.242   9.215
   95   2HB   SER  14          1HB       SER  14  -0.081  -3.028   9.697
   96    HG   SER  14           HG       SER  14  -1.999  -1.113   8.933
   97    H    LYS  15           H        LYS  15  -1.335  -5.257   7.178
   98    HA   LYS  15           HA       LYS  15   1.077  -6.729   7.876
   99   1HB   LYS  15          2HB       LYS  15  -0.972  -8.125   6.279
  100   2HB   LYS  15          1HB       LYS  15  -0.214  -8.605   7.776
  101   1HG   LYS  15          2HG       LYS  15  -1.635  -6.691   8.843
  102   2HG   LYS  15          1HG       LYS  15  -2.608  -6.836   7.379
  103   1HD   LYS  15          2HD       LYS  15  -3.340  -8.966   7.906
  104   2HD   LYS  15          1HD       LYS  15  -1.900  -9.341   8.853
  105   1HE   LYS  15          2HE       LYS  15  -2.876  -7.348  10.372
  106   2HE   LYS  15          1HE       LYS  15  -4.390  -7.916   9.668
  107   1HZ   LYS  15          3HZ       LYS  15  -3.834 -10.160  10.401
  108   2HZ   LYS  15          2HZ       LYS  15  -2.401  -9.585  11.111
  109   3HZ   LYS  15          1HZ       LYS  15  -3.910  -9.085  11.711
  110    HA   PRO  16           HA       PRO  16   2.798  -6.482   3.815
  111   1HB   PRO  16          2HB       PRO  16   4.894  -8.169   4.287
  112   2HB   PRO  16          1HB       PRO  16   4.825  -6.515   4.881
  113   1HG   PRO  16          2HG       PRO  16   4.533  -9.047   6.400
  114   2HG   PRO  16          1HG       PRO  16   4.976  -7.436   6.986
  115   1HD   PRO  16          2HD       PRO  16   2.406  -8.701   7.174
  116   2HD   PRO  16          1HD       PRO  16   2.817  -7.045   7.653
  117    H    PHE  17           H        PHE  17   3.240  -7.876   1.950
  118    HA   PHE  17           HA       PHE  17   2.644 -10.722   2.082
  119   1HB   PHE  17          2HB       PHE  17   0.588 -10.793   0.907
  120   2HB   PHE  17          1HB       PHE  17   0.359  -9.568   2.146
  121    HD1  PHE  17           HD2      PHE  17   0.774  -7.090   1.452
  122    HD2  PHE  17           HD1      PHE  17   0.211 -10.298  -1.348
  123    HE1  PHE  17           HE2      PHE  17   0.174  -5.450  -0.311
  124    HE2  PHE  17           HE1      PHE  17  -0.391  -8.660  -3.106
  125    HZ   PHE  17           HZ       PHE  17  -0.411  -6.240  -2.588
  126    H    HIS  18           H        HIS  18   3.027 -11.813   0.048
  127    HA   HIS  18           HA       HIS  18   5.159 -10.697  -1.487
  128   1HB   HIS  18          2HB       HIS  18   5.088 -13.038  -1.256
  129   2HB   HIS  18          1HB       HIS  18   3.415 -13.119  -1.798
  130    HD1  HIS  18           HD1      HIS  18   6.928 -12.849  -3.078
  131    HD2  HIS  18           HD2      HIS  18   3.056 -12.817  -4.545
  132    HE1  HIS  18           HE1      HIS  18   7.108 -13.089  -5.602
  133    HA   PRO  19           HA       PRO  19   3.005  -8.155  -4.329
  134   1HB   PRO  19          2HB       PRO  19   5.070  -7.751  -6.081
  135   2HB   PRO  19          1HB       PRO  19   4.942  -6.975  -4.495
  136   1HG   PRO  19          2HG       PRO  19   6.694  -9.232  -5.349
  137   2HG   PRO  19          1HG       PRO  19   6.966  -8.013  -4.095
  138   1HD   PRO  19          2HD       PRO  19   6.142 -10.666  -3.646
  139   2HD   PRO  19          1HD       PRO  19   6.047  -9.344  -2.469
  140    H    LYS  20           H        LYS  20   4.890 -10.760  -5.988
  141    HA   LYS  20           HA       LYS  20   3.767 -10.510  -8.516
  142   1HB   LYS  20          2HB       LYS  20   5.509 -12.237  -7.649
  143   2HB   LYS  20          1HB       LYS  20   4.094 -13.264  -7.491
  144   1HG   LYS  20          2HG       LYS  20   3.525 -12.588  -9.903
  145   2HG   LYS  20          1HG       LYS  20   5.177 -11.979  -9.990
  146   1HD   LYS  20          2HD       LYS  20   6.110 -14.130  -9.651
  147   2HD   LYS  20          1HD       LYS  20   4.585 -14.790  -9.062
  148   1HE   LYS  20          2HE       LYS  20   3.666 -14.940 -11.197
  149   2HE   LYS  20          1HE       LYS  20   4.708 -13.675 -11.847
  150   1HZ   LYS  20          3HZ       LYS  20   5.612 -16.384 -11.026
  151   2HZ   LYS  20          2HZ       LYS  20   5.350 -15.879 -12.627
  152   3HZ   LYS  20          1HZ       LYS  20   6.585 -15.169 -11.701
  153    H    PHE  21           H        PHE  21   2.075 -11.666  -5.674
  154    HA   PHE  21           HA       PHE  21  -0.055 -13.068  -6.949
  155   1HB   PHE  21          2HB       PHE  21  -0.206 -11.374  -4.483
  156   2HB   PHE  21          1HB       PHE  21  -1.341 -12.617  -4.941
  157    HD1  PHE  21           HD1      PHE  21   1.045 -14.478  -6.006
  158    HD2  PHE  21           HD2      PHE  21   0.194 -12.444  -2.316
  159    HE1  PHE  21           HE1      PHE  21   2.398 -16.146  -4.766
  160    HE2  PHE  21           HE2      PHE  21   1.547 -14.112  -1.082
  161    HZ   PHE  21           HZ       PHE  21   2.648 -15.966  -2.308
  162    H    ILE  22           H        ILE  22   0.457  -9.657  -6.206
  163    HA   ILE  22           HA       ILE  22  -2.089  -8.653  -7.019
  164    HB   ILE  22           HB       ILE  22   0.638  -7.313  -7.071
  165   1HG1  ILE  22          2HG1      ILE  22   0.075  -8.081  -4.833
  166   2HG1  ILE  22          1HG1      ILE  22  -0.157  -6.335  -4.899
  167   1HG2  ILE  22          1HG2      ILE  22  -2.138  -6.338  -7.572
  168   2HG2  ILE  22          3HG2      ILE  22  -1.035  -5.280  -6.693
  169   3HG2  ILE  22          2HG2      ILE  22  -0.620  -5.835  -8.313
  170   1HD1  ILE  22          2HD1      ILE  22  -2.617  -6.847  -5.451
  171   2HD1  ILE  22          1HD1      ILE  22  -2.268  -8.498  -4.944
  172   3HD1  ILE  22          3HD1      ILE  22  -2.095  -7.170  -3.798
  173    H    LYS  23           H        LYS  23  -2.970  -8.536  -8.995
  174    HA   LYS  23           HA       LYS  23  -1.299  -9.071 -11.379
  175   1HB   LYS  23          2HB       LYS  23  -3.769  -9.953 -10.761
  176   2HB   LYS  23          1HB       LYS  23  -4.213  -8.481 -11.625
  177   1HG   LYS  23          2HG       LYS  23  -2.735  -9.216 -13.517
  178   2HG   LYS  23          1HG       LYS  23  -2.482 -10.741 -12.668
  179   1HD   LYS  23          2HD       LYS  23  -4.890 -11.205 -12.727
  180   2HD   LYS  23          1HD       LYS  23  -5.185  -9.654 -13.516
  181   1HE   LYS  23          2HE       LYS  23  -3.477 -10.521 -15.299
  182   2HE   LYS  23          1HE       LYS  23  -3.838 -12.109 -14.623
  183   1HZ   LYS  23          1HZ       LYS  23  -5.838 -10.191 -15.693
  184   2HZ   LYS  23          3HZ       LYS  23  -5.288 -11.588 -16.482
  185   3HZ   LYS  23          2HZ       LYS  23  -6.182 -11.724 -15.044
  186    H    GLU  24           H        GLU  24  -2.799  -6.404  -9.714
  187    HA   GLU  24           HA       GLU  24  -1.782  -4.563 -11.801
  188   1HB   GLU  24          2HB       GLU  24  -4.471  -5.213 -11.724
  189   2HB   GLU  24          1HB       GLU  24  -4.404  -3.737 -10.760
  190   1HG   GLU  24          2HG       GLU  24  -2.801  -3.008 -12.811
  191   2HG   GLU  24          1HG       GLU  24  -3.861  -4.138 -13.654
  192    HA   LEU  25           HA       LEU  25  -1.239  -2.622  -7.774
  193   1HB   LEU  25          2HB       LEU  25   0.793  -4.003  -7.709
  194   2HB   LEU  25          1HB       LEU  25   1.598  -2.896  -8.823
  195    HG   LEU  25           HG       LEU  25   0.395  -1.689  -6.378
  196   1HD1  LEU  25          1HD1      LEU  25   1.683  -3.917  -5.829
  197   2HD1  LEU  25          3HD1      LEU  25   3.109  -2.926  -6.135
  198   3HD1  LEU  25          2HD1      LEU  25   1.970  -2.466  -4.869
  199   1HD2  LEU  25          1HD2      LEU  25   2.606  -1.192  -8.298
  200   2HD2  LEU  25          3HD2      LEU  25   1.534  -0.046  -7.495
  201   3HD2  LEU  25          2HD2      LEU  25   2.921  -0.708  -6.631
  202    NH1  ARG  26           NH1      ARG  26  -7.779   2.076  -8.456
  203    NH2  ARG  26           NH2      ARG  26  -7.331   3.993  -9.583
  204    H    ARG  26           H        ARG  26  -2.107  -0.574  -8.056
  205    HA   ARG  26           HA       ARG  26  -0.382   1.349  -9.538
  206   1HB   ARG  26          2HB       ARG  26  -2.568   2.658  -9.903
  207   2HB   ARG  26          1HB       ARG  26  -2.375   1.171 -10.828
  208   1HG   ARG  26          2HG       ARG  26  -3.846  -0.037  -9.392
  209   2HG   ARG  26          1HG       ARG  26  -3.806   1.229  -8.164
  210   1HD   ARG  26          2HD       ARG  26  -4.681   2.255 -10.752
  211   2HD   ARG  26          1HD       ARG  26  -5.723   0.956 -10.170
  212    HE   ARG  26           HE       ARG  26  -5.089   3.079  -8.217
  213   1HH1  ARG  26          2HH1      ARG  26  -7.460   1.246  -7.997
  214   2HH1  ARG  26          1HH1      ARG  26  -8.759   2.269  -8.513
  215   1HH2  ARG  26          1HH2      ARG  26  -6.669   4.628  -9.983
  216   2HH2  ARG  26          2HH2      ARG  26  -8.311   4.190  -9.642
  217    H    VAL  27           H        VAL  27   0.433   2.961  -8.284
  218    HA   VAL  27           HA       VAL  27  -0.764   3.393  -5.595
  219    HB   VAL  27           HB       VAL  27   1.425   4.563  -5.146
  220   1HG1  VAL  27          3HG1      VAL  27   1.274   1.665  -5.933
  221   2HG1  VAL  27          2HG1      VAL  27   2.771   2.349  -5.297
  222   3HG1  VAL  27          1HG1      VAL  27   1.306   2.369  -4.318
  223   1HG2  VAL  27          3HG2      VAL  27   1.844   4.931  -7.668
  224   2HG2  VAL  27          2HG2      VAL  27   3.224   4.441  -6.686
  225   3HG2  VAL  27          1HG2      VAL  27   2.390   3.254  -7.689
  226    H    ILE  28           H        ILE  28  -1.330   5.506  -4.903
  227    HA   ILE  28           HA       ILE  28  -1.686   7.466  -7.128
  228    HB   ILE  28           HB       ILE  28  -2.976   7.363  -4.376
  229   1HG1  ILE  28          2HG1      ILE  28  -4.192   6.845  -7.110
  230   2HG1  ILE  28          1HG1      ILE  28  -3.657   5.565  -6.023
  231   1HG2  ILE  28          2HG2      ILE  28  -3.199   9.263  -6.713
  232   2HG2  ILE  28          1HG2      ILE  28  -4.532   9.064  -5.578
  233   3HG2  ILE  28          3HG2      ILE  28  -2.967   9.642  -5.006
  234   1HD1  ILE  28          2HD1      ILE  28  -5.715   7.676  -5.312
  235   2HD1  ILE  28          1HD1      ILE  28  -6.099   6.031  -5.819
  236   3HD1  ILE  28          3HD1      ILE  28  -5.230   6.308  -4.310
  237    H    GLU  29           H        GLU  29  -0.432   9.276  -7.149
  238    HA   GLU  29           HA       GLU  29   1.667   9.651  -5.208
  239   1HB   GLU  29          2HB       GLU  29   0.654  11.162  -7.589
  240   2HB   GLU  29          1HB       GLU  29   1.757  11.972  -6.483
  241   1HG   GLU  29          2HG       GLU  29   2.369   9.225  -7.578
  242   2HG   GLU  29          1HG       GLU  29   2.807  10.686  -8.461
  243    H    SER  30           H        SER  30   1.885  12.169  -4.426
  244    HA   SER  30           HA       SER  30  -0.548  12.635  -2.765
  245   1HB   SER  30          2HB       SER  30   1.264  14.201  -1.578
  246   2HB   SER  30          1HB       SER  30   1.138  12.489  -1.213
  247    HG   SER  30           HG       SER  30   3.033  13.889  -2.724
  248    H    GLY  31           H        GLY  31  -1.238  14.855  -2.428
  249   1HA   GLY  31          2HA       GLY  31  -0.245  17.148  -3.743
  250   2HA   GLY  31          1HA       GLY  31  -1.370  16.386  -4.859
  251    HA   PRO  32           HA       PRO  32  -4.068  18.983  -2.237
  252   1HB   PRO  32          2HB       PRO  32  -5.799  19.576  -4.299
  253   2HB   PRO  32          1HB       PRO  32  -4.338  20.515  -3.948
  254   1HG   PRO  32          2HG       PRO  32  -4.824  18.538  -6.137
  255   2HG   PRO  32          1HG       PRO  32  -3.745  19.944  -6.113
  256   1HD   PRO  32          2HD       PRO  32  -2.931  17.272  -5.785
  257   2HD   PRO  32          1HD       PRO  32  -1.972  18.701  -5.341
  258    H    HIS  33           H        HIS  33  -4.811  16.515  -4.639
  259    HA   HIS  33           HA       HIS  33  -7.423  15.746  -3.881
  260   1HB   HIS  33          2HB       HIS  33  -6.697  13.442  -4.735
  261   2HB   HIS  33          1HB       HIS  33  -6.517  14.763  -5.877
  262    HD1  HIS  33           HD1      HIS  33  -4.042  15.591  -6.335
  263    HD2  HIS  33           HD2      HIS  33  -4.308  12.299  -3.789
  264    HE1  HIS  33           HE1      HIS  33  -1.679  14.727  -6.037
  265    H    CYS  34           H        CYS  34  -4.284  14.865  -2.490
  266    HA   CYS  34           HA       CYS  34  -5.567  14.043  -0.030
  267   1HB   CYS  34          2HB       CYS  34  -5.373  12.079  -1.922
  268   2HB   CYS  34          1HB       CYS  34  -3.845  11.880  -1.062
  269    H    ALA  35           H        ALA  35  -4.185  14.415   1.659
  270    HA   ALA  35           HA       ALA  35  -1.615  15.625   1.149
  271   1HB   ALA  35          3HB       ALA  35  -2.925  14.679   3.709
  272   2HB   ALA  35          2HB       ALA  35  -1.404  15.571   3.655
  273   3HB   ALA  35          1HB       ALA  35  -2.890  16.326   3.080
  274    H    ASN  36           H        ASN  36  -2.528  12.497   2.629
  275    HA   ASN  36           HA       ASN  36   0.306  11.658   2.581
  276   1HB   ASN  36          2HB       ASN  36  -2.203  10.644   3.846
  277   2HB   ASN  36          1HB       ASN  36  -0.924   9.478   3.509
  278   1HD2  ASN  36          2HD2      ASN  36  -0.528  11.946   6.654
  279   2HD2  ASN  36          1HD2      ASN  36  -1.976  11.795   5.781
  280    H    THR  37           H        THR  37   1.124  10.068   1.248
  281    HA   THR  37           HA       THR  37  -0.245   9.527  -1.249
  282    HB   THR  37           HB       THR  37   2.173   8.040  -0.191
  283    HG1  THR  37           HG1      THR  37   3.120   9.897  -0.136
  284   1HG2  THR  37          3HG2      THR  37   1.076   7.341  -2.353
  285   2HG2  THR  37          2HG2      THR  37   1.459   8.939  -2.991
  286   3HG2  THR  37          1HG2      THR  37   2.758   7.843  -2.521
  287    H    GLU  38           H        GLU  38  -1.135   7.502  -1.963
  288    HA   GLU  38           HA       GLU  38  -1.467   5.423   0.158
  289   1HB   GLU  38          2HB       GLU  38  -3.520   7.124  -0.901
  290   2HB   GLU  38          1HB       GLU  38  -3.829   5.474  -1.439
  291   1HG   GLU  38          2HG       GLU  38  -4.738   5.128   0.602
  292   2HG   GLU  38          1HG       GLU  38  -3.084   5.134   1.213
  293    H    ILE  39           H        ILE  39  -1.096   3.379  -0.577
  294    HA   ILE  39           HA       ILE  39  -0.532   3.028  -3.468
  295    HB   ILE  39           HB       ILE  39  -0.085   1.273  -1.032
  296   1HG1  ILE  39          2HG1      ILE  39   2.346   1.750  -2.221
  297   2HG1  ILE  39          1HG1      ILE  39   1.499   3.264  -2.531
  298   1HG2  ILE  39          1HG2      ILE  39   0.366   0.752  -3.969
  299   2HG2  ILE  39          3HG2      ILE  39   1.342  -0.051  -2.741
  300   3HG2  ILE  39          2HG2      ILE  39  -0.403  -0.290  -2.774
  301   1HD1  ILE  39          1HD1      ILE  39   1.295   2.116   0.219
  302   2HD1  ILE  39          3HD1      ILE  39   2.832   2.842  -0.250
  303   3HD1  ILE  39          2HD1      ILE  39   1.355   3.803  -0.294
  304    H    ILE  40           H        ILE  40  -1.527   1.206  -4.646
  305    HA   ILE  40           HA       ILE  40  -3.923  -0.013  -3.400
  306    HB   ILE  40           HB       ILE  40  -4.130   1.400  -6.078
  307   1HG1  ILE  40          2HG1      ILE  40  -5.357   2.252  -3.439
  308   2HG1  ILE  40          1HG1      ILE  40  -3.872   2.950  -4.078
  309   1HG2  ILE  40          2HG2      ILE  40  -6.176   0.110  -4.240
  310   2HG2  ILE  40          1HG2      ILE  40  -6.552   0.950  -5.745
  311   3HG2  ILE  40          3HG2      ILE  40  -5.614  -0.543  -5.779
  312   1HD1  ILE  40          2HD1      ILE  40  -6.445   2.871  -5.666
  313   2HD1  ILE  40          1HD1      ILE  40  -6.007   4.228  -4.628
  314   3HD1  ILE  40          3HD1      ILE  40  -4.994   3.812  -6.009
  315    H    VAL  41           H        VAL  41  -4.087  -2.106  -4.026
  316    HA   VAL  41           HA       VAL  41  -2.714  -2.974  -6.509
  317    HB   VAL  41           HB       VAL  41  -2.031  -5.015  -5.251
  318   1HG1  VAL  41          3HG1      VAL  41  -1.013  -2.291  -4.562
  319   2HG1  VAL  41          2HG1      VAL  41  -0.305  -3.703  -3.778
  320   3HG1  VAL  41          1HG1      VAL  41  -0.255  -3.551  -5.533
  321   1HG2  VAL  41          3HG2      VAL  41  -3.805  -4.345  -3.374
  322   2HG2  VAL  41          2HG2      VAL  41  -2.374  -5.301  -2.994
  323   3HG2  VAL  41          1HG2      VAL  41  -2.384  -3.566  -2.678
  324    H    LYS  42           H        LYS  42  -3.519  -5.185  -7.184
  325    HA   LYS  42           HA       LYS  42  -6.308  -5.711  -6.268
  326   1HB   LYS  42          2HB       LYS  42  -5.441  -4.814  -8.880
  327   2HB   LYS  42          1HB       LYS  42  -6.140  -6.428  -9.009
  328   1HG   LYS  42          2HG       LYS  42  -8.228  -5.735  -8.281
  329   2HG   LYS  42          1HG       LYS  42  -7.572  -4.394  -7.343
  330   1HD   LYS  42          2HD       LYS  42  -8.627  -3.371  -9.214
  331   2HD   LYS  42          1HD       LYS  42  -6.906  -3.353  -9.596
  332   1HE   LYS  42          2HE       LYS  42  -7.817  -4.184 -11.580
  333   2HE   LYS  42          1HE       LYS  42  -7.413  -5.672 -10.727
  334   1HZ   LYS  42          1HZ       LYS  42 -10.080  -4.361 -10.731
  335   2HZ   LYS  42          3HZ       LYS  42  -9.657  -5.733 -11.634
  336   3HZ   LYS  42          2HZ       LYS  42  -9.686  -5.811  -9.938
  337    H    LEU  43           H        LEU  43  -5.736  -7.555  -5.100
  338    HA   LEU  43           HA       LEU  43  -3.841  -9.513  -5.772
  339   1HB   LEU  43          2HB       LEU  43  -6.372  -9.575  -4.165
  340   2HB   LEU  43          1HB       LEU  43  -5.453 -11.046  -4.410
  341    HG   LEU  43           HG       LEU  43  -4.174  -8.501  -3.398
  342   1HD1  LEU  43          2HD1      LEU  43  -5.987  -9.194  -1.849
  343   2HD1  LEU  43          1HD1      LEU  43  -5.266 -10.801  -1.749
  344   3HD1  LEU  43          3HD1      LEU  43  -4.391  -9.402  -1.129
  345   1HD2  LEU  43          2HD2      LEU  43  -2.884 -10.549  -4.399
  346   2HD2  LEU  43          1HD2      LEU  43  -2.327  -9.855  -2.877
  347   3HD2  LEU  43          3HD2      LEU  43  -3.290 -11.333  -2.872
  348    H    SER  44           H        SER  44  -3.945 -11.475  -6.853
  349    HA   SER  44           HA       SER  44  -5.379 -11.642  -9.262
  350   1HB   SER  44          2HB       SER  44  -3.279 -12.957  -8.408
  351   2HB   SER  44          1HB       SER  44  -4.469 -14.133  -7.857
  352    HG   SER  44           HG       SER  44  -3.806 -13.305 -10.454
  353    H    ASP  45           H        ASP  45  -6.424 -12.539  -6.052
  354    HA   ASP  45           HA       ASP  45  -8.545 -14.289  -6.992
  355   1HB   ASP  45          2HB       ASP  45  -7.743 -13.199  -4.301
  356   2HB   ASP  45          1HB       ASP  45  -9.253 -14.085  -4.515
  357    H    GLY  46           H        GLY  46  -8.440 -11.351  -7.857
  358   1HA   GLY  46          2HA       GLY  46 -10.020  -9.694  -8.318
  359   2HA   GLY  46          1HA       GLY  46 -11.250 -10.818  -7.744
  360    NH1  ARG  47           NH2      ARG  47 -10.222 -10.557   1.841
  361    NH2  ARG  47           NH1      ARG  47 -12.031 -11.417   0.780
  362    H    ARG  47           H        ARG  47  -8.509  -9.742  -5.763
  363    HA   ARG  47           HA       ARG  47 -10.500  -8.460  -3.935
  364   1HB   ARG  47          2HB       ARG  47  -8.859 -10.421  -3.277
  365   2HB   ARG  47          1HB       ARG  47  -7.683  -9.119  -3.148
  366   1HG   ARG  47          2HG       ARG  47  -8.530  -9.114  -0.988
  367   2HG   ARG  47          1HG       ARG  47  -9.624  -7.959  -1.747
  368   1HD   ARG  47          2HD       ARG  47 -11.273  -9.732  -2.133
  369   2HD   ARG  47          1HD       ARG  47 -10.173 -10.926  -1.445
  370    HE   ARG  47           HE       ARG  47 -11.269  -8.659   0.175
  371   1HH1  ARG  47          1HH2      ARG  47  -9.498  -9.868   1.901
  372   2HH1  ARG  47          2HH2      ARG  47 -10.285 -11.275   2.535
  373   1HH2  ARG  47          2HH1      ARG  47 -12.690 -11.385   0.028
  374   2HH2  ARG  47          1HH1      ARG  47 -12.097 -12.137   1.472
  375    H    GLU  48           H        GLU  48  -9.767  -6.455  -2.834
  376    HA   GLU  48           HA       GLU  48  -7.713  -4.929  -4.378
  377   1HB   GLU  48          2HB       GLU  48 -10.275  -4.406  -4.824
  378   2HB   GLU  48          1HB       GLU  48 -10.141  -3.532  -3.297
  379   1HG   GLU  48          2HG       GLU  48  -8.672  -1.969  -4.156
  380   2HG   GLU  48          1HG       GLU  48  -8.003  -3.092  -5.340
  381    H    LEU  49           H        LEU  49  -6.135  -4.337  -2.974
  382    HA   LEU  49           HA       LEU  49  -6.951  -3.602  -0.185
  383   1HB   LEU  49          2HB       LEU  49  -5.166  -5.745  -1.043
  384   2HB   LEU  49          1HB       LEU  49  -4.354  -4.593   0.018
  385    HG   LEU  49           HG       LEU  49  -6.521  -4.816   1.477
  386   1HD1  LEU  49          1HD1      LEU  49  -7.555  -6.278  -0.405
  387   2HD1  LEU  49          3HD1      LEU  49  -6.523  -7.560   0.227
  388   3HD1  LEU  49          2HD1      LEU  49  -7.744  -6.821   1.262
  389   1HD2  LEU  49          3HD2      LEU  49  -4.120  -5.617   1.929
  390   2HD2  LEU  49          2HD2      LEU  49  -5.405  -6.459   2.793
  391   3HD2  LEU  49          1HD2      LEU  49  -4.662  -7.201   1.376
  392    H    CYS  50           H        CYS  50  -6.314  -1.561   0.252
  393    HA   CYS  50           HA       CYS  50  -4.268  -0.259  -1.420
  394   1HB   CYS  50          2HB       CYS  50  -5.188   1.216   0.909
  395   2HB   CYS  50          1HB       CYS  50  -5.166   1.701  -0.769
  396    H    LEU  51           H        LEU  51  -2.160  -0.009  -0.723
  397    HA   LEU  51           HA       LEU  51  -1.500  -1.221   1.864
  398   1HB   LEU  51          2HB       LEU  51   0.361  -0.254  -0.292
  399   2HB   LEU  51          1HB       LEU  51   0.770  -1.262   1.075
  400    HG   LEU  51           HG       LEU  51  -0.797  -1.990  -1.382
  401   1HD1  LEU  51          3HD1      LEU  51   1.706  -2.439  -0.950
  402   2HD1  LEU  51          2HD1      LEU  51   1.152  -3.636   0.220
  403   3HD1  LEU  51          1HD1      LEU  51   0.718  -3.800  -1.481
  404   1HD2  LEU  51          3HD2      LEU  51  -1.012  -3.282   1.356
  405   2HD2  LEU  51          2HD2      LEU  51  -2.328  -2.669   0.357
  406   3HD2  LEU  51          1HD2      LEU  51  -1.449  -4.113  -0.136
  407    H    ASP  52           H        ASP  52  -0.088  -0.237   3.332
  408    HA   ASP  52           HA       ASP  52  -0.406   2.715   3.469
  409   1HB   ASP  52          2HB       ASP  52  -1.158   0.983   5.306
  410   2HB   ASP  52          1HB       ASP  52   0.548   0.989   5.738
  411    HA   PRO  53           HA       PRO  53   3.936   2.858   2.449
  412   1HB   PRO  53          2HB       PRO  53   4.119   5.607   2.584
  413   2HB   PRO  53          1HB       PRO  53   3.509   4.715   1.179
  414   1HG   PRO  53          2HG       PRO  53   1.979   6.223   3.263
  415   2HG   PRO  53          1HG       PRO  53   1.588   5.958   1.555
  416   1HD   PRO  53          2HD       PRO  53   0.424   4.570   3.679
  417   2HD   PRO  53          1HD       PRO  53   0.460   3.999   1.998
  418    H    LYS  54           H        LYS  54   2.444   3.679   5.421
  419    HA   LYS  54           HA       LYS  54   4.557   4.894   6.853
  420   1HB   LYS  54          2HB       LYS  54   2.173   3.254   7.586
  421   2HB   LYS  54          1HB       LYS  54   3.414   3.498   8.811
  422   1HG   LYS  54          2HG       LYS  54   3.244   5.931   8.533
  423   2HG   LYS  54          1HG       LYS  54   2.043   5.716   7.259
  424   1HD   LYS  54          2HD       LYS  54   0.872   4.261   9.210
  425   2HD   LYS  54          1HD       LYS  54   1.755   5.418  10.206
  426   1HE   LYS  54          2HE       LYS  54   0.155   6.412   7.865
  427   2HE   LYS  54          1HE       LYS  54  -0.669   6.008   9.370
  428   1HZ   LYS  54          2HZ       LYS  54   0.824   7.507  10.546
  429   2HZ   LYS  54          1HZ       LYS  54   1.596   7.911   9.086
  430   3HZ   LYS  54          3HZ       LYS  54  -0.029   8.329   9.328
  431    H    GLU  55           H        GLU  55   4.006   1.539   5.904
  432    HA   GLU  55           HA       GLU  55   6.155   0.527   7.630
  433   1HB   GLU  55          2HB       GLU  55   4.526  -0.781   5.431
  434   2HB   GLU  55          1HB       GLU  55   5.678  -1.617   6.454
  435   1HG   GLU  55          2HG       GLU  55   3.805  -2.033   7.703
  436   2HG   GLU  55          1HG       GLU  55   4.195  -0.455   8.364
  437    H    ASN  56           H        ASN  56   7.916  -0.751   6.566
  438    HA   ASN  56           HA       ASN  56   9.057   0.787   4.311
  439   1HB   ASN  56          2HB       ASN  56  10.117  -0.579   6.586
  440   2HB   ASN  56          1HB       ASN  56  10.826  -1.242   5.120
  441   1HD2  ASN  56          2HD2      ASN  56  12.484   1.811   4.236
  442   2HD2  ASN  56          1HD2      ASN  56  11.867   0.361   3.605
  443    CH2  TRP  57           CH2      TRP  57   1.792  -4.596   2.431
  444    H    TRP  57           H        TRP  57   7.432  -2.174   4.945
  445    HA   TRP  57           HA       TRP  57   8.573  -3.617   2.724
  446   1HB   TRP  57          2HB       TRP  57   7.102  -5.378   3.323
  447   2HB   TRP  57          1HB       TRP  57   7.614  -4.660   4.822
  448    HD1  TRP  57           HD1      TRP  57   5.818  -3.709   6.349
  449    HE1  TRP  57           HE1      TRP  57   3.257  -3.646   6.265
  450    HE3  TRP  57           HE3      TRP  57   5.043  -5.026   1.497
  451    HZ2  TRP  57           HZ2      TRP  57   1.141  -4.020   4.405
  452    HZ3  TRP  57           HZ3      TRP  57   2.749  -5.143   0.586
  453    HH2  TRP  57           HH2      TRP  57   0.793  -4.654   2.024
  454    H    VAL  58           H        VAL  58   5.649  -1.721   3.317
  455    HA   VAL  58           HA       VAL  58   4.377  -2.325   0.806
  456    HB   VAL  58           HB       VAL  58   4.152  -0.118   2.826
  457   1HG1  VAL  58          2HG1      VAL  58   2.947  -0.152   0.064
  458   2HG1  VAL  58          1HG1      VAL  58   2.179   0.710   1.397
  459   3HG1  VAL  58          3HG1      VAL  58   3.799   1.166   0.869
  460   1HG2  VAL  58          3HG2      VAL  58   2.476  -2.386   1.837
  461   2HG2  VAL  58          2HG2      VAL  58   2.912  -1.960   3.492
  462   3HG2  VAL  58          1HG2      VAL  58   1.704  -1.014   2.627
  463    H    GLN  59           H        GLN  59   6.620   0.283   1.788
  464    HA   GLN  59           HA       GLN  59   6.653   1.483  -0.843
  465   1HB   GLN  59          2HB       GLN  59   8.507   2.838   0.043
  466   2HB   GLN  59          1HB       GLN  59   7.124   2.836   1.132
  467   1HG   GLN  59          2HG       GLN  59   8.167   1.100   2.483
  468   2HG   GLN  59          1HG       GLN  59   9.530   1.027   1.375
  469   1HE2  GLN  59          2HE2      GLN  59   9.229   4.202   3.967
  470   2HE2  GLN  59          1HE2      GLN  59   7.866   3.234   3.671
  471    NH1  ARG  60           NH2      ARG  60  15.331  -2.812   2.915
  472    NH2  ARG  60           NH1      ARG  60  14.366  -1.869   4.738
  473    H    ARG  60           H        ARG  60   8.502  -1.035   0.744
  474    HA   ARG  60           HA       ARG  60  10.621  -1.026  -1.285
  475   1HB   ARG  60          2HB       ARG  60   9.954  -2.700   1.120
  476   2HB   ARG  60          1HB       ARG  60  11.049  -3.350  -0.096
  477   1HG   ARG  60          2HG       ARG  60  12.569  -1.503   0.162
  478   2HG   ARG  60          1HG       ARG  60  11.416  -0.623   1.167
  479   1HD   ARG  60          2HD       ARG  60  11.587  -2.342   2.910
  480   2HD   ARG  60          1HD       ARG  60  12.691  -3.276   1.901
  481    HE   ARG  60           HE       ARG  60  13.590  -0.537   2.452
  482   1HH1  ARG  60          1HH2      ARG  60  15.357  -2.953   1.925
  483   2HH1  ARG  60          2HH2      ARG  60  16.014  -3.248   3.500
  484   1HH2  ARG  60          2HH1      ARG  60  13.658  -1.290   5.141
  485   2HH2  ARG  60          1HH1      ARG  60  15.049  -2.304   5.326
  486    H    VAL  61           H        VAL  61   7.691  -2.870  -0.502
  487    HA   VAL  61           HA       VAL  61   7.995  -4.845  -2.573
  488    HB   VAL  61           HB       VAL  61   5.634  -3.801  -0.998
  489   1HG1  VAL  61          2HG1      VAL  61   5.681  -5.801  -3.253
  490   2HG1  VAL  61          1HG1      VAL  61   4.443  -5.848  -1.997
  491   3HG1  VAL  61          3HG1      VAL  61   4.598  -4.427  -3.030
  492   1HG2  VAL  61          3HG2      VAL  61   7.334  -5.261   0.112
  493   2HG2  VAL  61          2HG2      VAL  61   5.738  -6.008   0.041
  494   3HG2  VAL  61          1HG2      VAL  61   6.997  -6.509  -1.085
  495    H    VAL  62           H        VAL  62   6.410  -1.657  -2.460
  496    HA   VAL  62           HA       VAL  62   5.264  -1.771  -5.092
  497    HB   VAL  62           HB       VAL  62   6.106   0.569  -3.352
  498   1HG1  VAL  62          2HG1      VAL  62   4.648   0.532  -6.011
  499   2HG1  VAL  62          1HG1      VAL  62   4.636   1.913  -4.912
  500   3HG1  VAL  62          3HG1      VAL  62   6.153   1.370  -5.630
  501   1HG2  VAL  62          2HG2      VAL  62   4.109  -1.117  -2.867
  502   2HG2  VAL  62          1HG2      VAL  62   3.903   0.617  -2.619
  503   3HG2  VAL  62          3HG2      VAL  62   3.287  -0.142  -4.087
  504    H    GLU  63           H        GLU  63   8.409  -0.532  -3.900
  505    HA   GLU  63           HA       GLU  63   9.350   0.421  -6.407
  506   1HB   GLU  63          2HB       GLU  63  10.332   0.556  -3.901
  507   2HB   GLU  63          1HB       GLU  63  11.331  -0.758  -4.525
  508   1HG   GLU  63          2HG       GLU  63  11.516   0.929  -6.612
  509   2HG   GLU  63          1HG       GLU  63  11.250   2.111  -5.330
  510    H    LYS  64           H        LYS  64   9.781  -2.756  -4.813
  511    HA   LYS  64           HA       LYS  64  11.304  -3.909  -6.945
  512   1HB   LYS  64          2HB       LYS  64  10.639  -4.693  -4.401
  513   2HB   LYS  64          1HB       LYS  64   9.632  -5.760  -5.379
  514   1HG   LYS  64          2HG       LYS  64  12.042  -5.833  -6.723
  515   2HG   LYS  64          1HG       LYS  64  12.551  -5.740  -5.037
  516   1HD   LYS  64          2HD       LYS  64  10.789  -7.598  -4.620
  517   2HD   LYS  64          1HD       LYS  64  10.835  -7.833  -6.368
  518   1HE   LYS  64          2HE       LYS  64  13.348  -7.805  -4.686
  519   2HE   LYS  64          1HE       LYS  64  12.435  -9.282  -4.980
  520   1HZ   LYS  64          1HZ       LYS  64  12.635  -8.764  -7.401
  521   2HZ   LYS  64          3HZ       LYS  64  13.725  -7.529  -6.993
  522   3HZ   LYS  64          2HZ       LYS  64  14.101  -9.146  -6.632
  523    H    PHE  65           H        PHE  65   7.892  -3.375  -6.463
  524    HA   PHE  65           HA       PHE  65   6.912  -5.353  -8.323
  525   1HB   PHE  65          2HB       PHE  65   5.750  -3.879  -6.422
  526   2HB   PHE  65          1HB       PHE  65   5.439  -2.813  -7.780
  527    HD1  PHE  65           HD1      PHE  65   4.536  -4.084  -9.974
  528    HD2  PHE  65           HD2      PHE  65   4.206  -5.548  -5.950
  529    HE1  PHE  65           HE1      PHE  65   2.652  -5.537 -10.660
  530    HE2  PHE  65           HE2      PHE  65   2.325  -6.996  -6.637
  531    HZ   PHE  65           HZ       PHE  65   1.548  -6.997  -8.988
  532    H    LEU  66           H        LEU  66   7.750  -1.884  -8.559
  533    HA   LEU  66           HA       LEU  66   7.072  -1.868 -11.437
  534   1HB   LEU  66          2HB       LEU  66   7.761   0.183  -9.379
  535   2HB   LEU  66          1HB       LEU  66   8.169   0.556 -11.053
  536    HG   LEU  66           HG       LEU  66   5.452  -0.562 -10.530
  537   1HD1  LEU  66          3HD1      LEU  66   5.938   1.212  -8.750
  538   2HD1  LEU  66          2HD1      LEU  66   6.050   2.368 -10.077
  539   3HD1  LEU  66          1HD1      LEU  66   4.538   1.510  -9.779
  540   1HD2  LEU  66          2HD2      LEU  66   6.484   0.112 -12.793
  541   2HD2  LEU  66          1HD2      LEU  66   4.881   0.751 -12.433
  542   3HD2  LEU  66          3HD2      LEU  66   6.302   1.780 -12.247
  543    H    LYS  67           H        LYS  67   9.976  -0.711  -9.668
  544    HA   LYS  67           HA       LYS  67  11.829  -2.441 -10.983
  545   1HB   LYS  67          2HB       LYS  67  10.855  -0.431 -12.701
  546   2HB   LYS  67          1HB       LYS  67  12.453   0.123 -12.203
  547   1HG   LYS  67          2HG       LYS  67  12.137  -2.748 -12.991
  548   2HG   LYS  67          1HG       LYS  67  12.164  -1.528 -14.266
  549   1HD   LYS  67          2HD       LYS  67  14.332  -0.780 -13.662
  550   2HD   LYS  67          1HD       LYS  67  14.263  -1.587 -12.096
  551   1HE   LYS  67          2HE       LYS  67  14.027  -3.242 -14.586
  552   2HE   LYS  67          1HE       LYS  67  15.619  -2.670 -14.091
  553   1HZ   LYS  67          3HZ       LYS  67  13.738  -4.202 -12.376
  554   2HZ   LYS  67          2HZ       LYS  67  15.105  -4.844 -13.154
  555   3HZ   LYS  67          1HZ       LYS  67  15.289  -3.679 -11.932
  556    NH1  ARG  68           NH1      ARG  68  18.306  -1.843 -10.696
  557    NH2  ARG  68           NH2      ARG  68  19.631  -0.247 -11.611
  558    H    ARG  68           H        ARG  68  12.004   1.103 -10.464
  559    HA   ARG  68           HA       ARG  68  13.746   0.620  -8.095
  560   1HB   ARG  68          2HB       ARG  68  14.438   2.366 -10.480
  561   2HB   ARG  68          1HB       ARG  68  15.326   2.371  -8.957
  562   1HG   ARG  68          2HG       ARG  68  15.743  -0.082  -9.251
  563   2HG   ARG  68          1HG       ARG  68  14.979   0.018 -10.838
  564   1HD   ARG  68          2HD       ARG  68  16.697   1.958 -11.246
  565   2HD   ARG  68          1HD       ARG  68  17.580   1.210  -9.916
  566    HE   ARG  68           HE       ARG  68  16.927  -0.167 -12.488
  567   1HH1  ARG  68          2HH1      ARG  68  17.394  -2.187 -10.470
  568   2HH1  ARG  68          1HH1      ARG  68  19.115  -2.376 -10.448
  569   1HH2  ARG  68          1HH2      ARG  68  19.732   0.629 -12.083
  570   2HH2  ARG  68          2HH2      ARG  68  20.443  -0.778 -11.365
  571    H    ALA  69           H        ALA  69  14.346   3.099  -7.299
  572    HA   ALA  69           HA       ALA  69  11.754   4.240  -6.575
  573   1HB   ALA  69          2HB       ALA  69  14.622   4.870  -5.890
  574   2HB   ALA  69          1HB       ALA  69  13.332   5.993  -5.457
  575   3HB   ALA  69          3HB       ALA  69  13.321   4.347  -4.822
  576    H    GLU  70           H        GLU  70  14.671   5.836  -7.958
  577    HA   GLU  70           HA       GLU  70  12.878   7.272  -9.862
  578   1HB   GLU  70          2HB       GLU  70  15.057   8.673  -8.288
  579   2HB   GLU  70          1HB       GLU  70  13.862   9.409  -9.349
  580   1HG   GLU  70          2HG       GLU  70  12.152   8.237  -7.687
  581   2HG   GLU  70          1HG       GLU  70  13.520   8.331  -6.577
  582    H    ASN  71           H        ASN  71  14.858   8.899 -11.018
  583    HA   ASN  71           HA       ASN  71  16.690   6.848 -12.196
  584   1HB   ASN  71          2HB       ASN  71  14.947   7.935 -13.703
  585   2HB   ASN  71          1HB       ASN  71  15.815   9.453 -13.475
  586   1HD2  ASN  71          2HD2      ASN  71  18.515   8.541 -15.598
  587   2HD2  ASN  71          1HD2      ASN  71  17.947   9.663 -14.458
  588    H    SER  72           H        SER  72  18.537   7.121 -10.935
  589    HA   SER  72           HA       SER  72  20.447   8.118 -10.049
  590   1HB   SER  72          2HB       SER  72  21.667   9.474 -11.536
  591   2HB   SER  72          1HB       SER  72  20.611   8.557 -12.602
  592    HG   SER  72           HG       SER  72  20.092  10.491 -13.274
  593   1HC   CH3  25          1H        LEU  25   0.669  -2.463 -10.835
  594   2HC   CH3  25          2H        LEU  25  -0.335  -3.568 -11.769
  595   3HC   CH3  25          3H        LEU  25  -0.947  -1.971 -11.342
   
  Start of MODEL          25
 Raw file had  595 H/Q atoms
  Start of MODEL   25
    1   1H    GLU   4          1H        GLU   4 -12.355  16.143  -8.684
    2   2H    GLU   4          3H        GLU   4 -12.316  17.470  -7.627
    3   3H    GLU   4          2H        GLU   4 -11.335  17.460  -9.015
    4    HA   GLU   4           HA       GLU   4 -10.016  15.666  -8.158
    5   1HB   GLU   4          2HB       GLU   4 -10.460  18.113  -6.483
    6   2HB   GLU   4          1HB       GLU   4  -9.366  16.866  -5.882
    7   1HG   GLU   4          2HG       GLU   4  -9.103  17.860  -8.713
    8   2HG   GLU   4          1HG       GLU   4  -8.400  18.783  -7.384
    9    H    LEU   5           H        LEU   5  -9.709  14.007  -6.606
   10    HA   LEU   5           HA       LEU   5 -11.945  13.612  -4.658
   11   1HB   LEU   5          2HB       LEU   5 -12.073  12.169  -6.781
   12   2HB   LEU   5          1HB       LEU   5 -10.637  11.347  -6.173
   13    HG   LEU   5           HG       LEU   5 -12.093  11.218  -3.943
   14   1HD1  LEU   5          1HD1      LEU   5 -13.957  12.527  -5.016
   15   2HD1  LEU   5          3HD1      LEU   5 -14.194  11.178  -6.127
   16   3HD1  LEU   5          2HD1      LEU   5 -14.458  10.952  -4.399
   17   1HD2  LEU   5          3HD2      LEU   5 -11.168   9.352  -5.428
   18   2HD2  LEU   5          2HD2      LEU   5 -12.645   8.967  -4.546
   19   3HD2  LEU   5          1HD2      LEU   5 -12.723   9.373  -6.261
   20    NH1  ARG   6           NH1      ARG   6 -14.901  13.386  -1.828
   21    NH2  ARG   6           NH2      ARG   6 -15.593  13.489   0.329
   22    H    ARG   6           H        ARG   6 -11.277  13.058  -2.628
   23    HA   ARG   6           HA       ARG   6  -8.488  13.156  -1.937
   24   1HB   ARG   6          2HB       ARG   6  -9.284  12.585   0.340
   25   2HB   ARG   6          1HB       ARG   6 -10.211  13.896  -0.373
   26   1HG   ARG   6          2HG       ARG   6 -11.514  11.516  -1.159
   27   2HG   ARG   6          1HG       ARG   6 -11.133  11.318   0.551
   28   1HD   ARG   6          2HD       ARG   6 -12.381  13.194   1.184
   29   2HD   ARG   6          1HD       ARG   6 -12.319  13.900  -0.432
   30    HE   ARG   6           HE       ARG   6 -13.815  11.361  -0.149
   31   1HH1  ARG   6          2HH1      ARG   6 -14.245  13.065  -2.513
   32   2HH1  ARG   6          1HH1      ARG   6 -15.679  13.949  -2.108
   33   1HH2  ARG   6          1HH2      ARG   6 -15.466  13.246   1.291
   34   2HH2  ARG   6          2HH2      ARG   6 -16.373  14.051   0.055
   35    H    CYS   7           H        CYS   7  -7.919  11.214  -0.170
   36    HA   CYS   7           HA       CYS   7  -7.123   8.992  -1.738
   37   1HB   CYS   7          2HB       CYS   7  -7.345   9.476   1.221
   38   2HB   CYS   7          1HB       CYS   7  -6.882   7.894   0.612
   39    H    GLN   8           H        GLN   8  -8.324   7.350  -2.539
   40    HA   GLN   8           HA       GLN   8 -11.088   6.970  -1.828
   41   1HB   GLN   8          2HB       GLN   8 -10.986   5.050  -3.355
   42   2HB   GLN   8          1HB       GLN   8 -10.205   6.449  -4.075
   43   1HG   GLN   8          2HG       GLN   8  -8.094   5.530  -3.917
   44   2HG   GLN   8          1HG       GLN   8  -8.496   4.583  -2.484
   45   1HE2  GLN   8          2HE2      GLN   8  -9.706   1.789  -4.342
   46   2HE2  GLN   8          1HE2      GLN   8  -9.677   2.529  -2.816
   47    H    CYS   9           H        CYS   9  -8.173   5.858  -0.362
   48    HA   CYS   9           HA       CYS   9  -9.729   3.755   1.097
   49   1HB   CYS   9          2HB       CYS   9  -7.048   3.691  -0.123
   50   2HB   CYS   9          1HB       CYS   9  -7.095   3.091   1.530
   51    H    ILE  10           H        ILE  10 -10.374   5.079   2.829
   52    HA   ILE  10           HA       ILE  10  -8.597   6.873   4.232
   53    HB   ILE  10           HB       ILE  10 -11.119   5.484   5.212
   54   1HG1  ILE  10          2HG1      ILE  10 -11.307   8.329   4.622
   55   2HG1  ILE  10          1HG1      ILE  10 -10.780   7.427   3.202
   56   1HG2  ILE  10          3HG2      ILE  10  -9.446   7.753   6.305
   57   2HG2  ILE  10          2HG2      ILE  10 -11.140   7.549   6.751
   58   3HG2  ILE  10          1HG2      ILE  10  -9.969   6.287   7.135
   59   1HD1  ILE  10          2HD1      ILE  10 -12.693   5.812   3.661
   60   2HD1  ILE  10          1HD1      ILE  10 -13.279   6.977   4.850
   61   3HD1  ILE  10          3HD1      ILE  10 -13.176   7.429   3.147
   62    H    LYS  11           H        LYS  11  -9.273   3.438   4.416
   63    HA   LYS  11           HA       LYS  11  -7.293   3.183   6.647
   64   1HB   LYS  11          2HB       LYS  11  -9.926   2.125   6.401
   65   2HB   LYS  11          1HB       LYS  11  -8.815   0.770   6.211
   66   1HG   LYS  11          2HG       LYS  11  -7.621   1.924   8.300
   67   2HG   LYS  11          1HG       LYS  11  -9.243   2.557   8.572
   68   1HD   LYS  11          2HD       LYS  11  -9.610   0.586   9.638
   69   2HD   LYS  11          1HD       LYS  11  -9.771  -0.077   8.012
   70   1HE   LYS  11          2HE       LYS  11  -7.080   0.134   9.369
   71   2HE   LYS  11          1HE       LYS  11  -8.127  -1.265   9.610
   72   1HZ   LYS  11          1HZ       LYS  11  -8.212  -1.438   7.124
   73   2HZ   LYS  11          3HZ       LYS  11  -6.968  -0.285   7.063
   74   3HZ   LYS  11          2HZ       LYS  11  -6.702  -1.780   7.822
   75    H    THR  12           H        THR  12  -5.361   2.597   5.751
   76    HA   THR  12           HA       THR  12  -5.336   1.136   3.189
   77    HB   THR  12           HB       THR  12  -2.707   1.381   3.910
   78    HG1  THR  12           HG1      THR  12  -3.079   2.581   5.720
   79   1HG2  THR  12          1HG2      THR  12  -4.506   3.339   2.477
   80   2HG2  THR  12          3HG2      THR  12  -2.744   3.366   2.402
   81   3HG2  THR  12          2HG2      THR  12  -3.633   1.983   1.763
   82    OH   TYR  13           OH       TYR  13  -3.051  -8.564   4.353
   83    H    TYR  13           H        TYR  13  -3.209  -0.430   3.211
   84    HA   TYR  13           HA       TYR  13  -4.025  -2.627   4.998
   85   1HB   TYR  13          2HB       TYR  13  -3.601  -2.777   2.437
   86   2HB   TYR  13          1HB       TYR  13  -1.897  -2.755   2.873
   87    HD1  TYR  13           HD2      TYR  13  -4.299  -4.255   5.178
   88    HD2  TYR  13           HD1      TYR  13  -1.598  -4.979   1.923
   89    HE1  TYR  13           HE2      TYR  13  -4.361  -6.687   5.680
   90    HE2  TYR  13           HE1      TYR  13  -1.659  -7.418   2.418
   91    HH   TYR  13           HH       TYR  13  -3.857  -8.921   3.974
   92    H    SER  14           H        SER  14  -2.859  -3.178   6.777
   93    HA   SER  14           HA       SER  14  -0.185  -1.910   7.151
   94   1HB   SER  14          2HB       SER  14  -2.308  -2.894   9.031
   95   2HB   SER  14          1HB       SER  14  -0.635  -2.834   9.579
   96    HG   SER  14           HG       SER  14  -1.549  -0.862  10.021
   97    H    LYS  15           H        LYS  15  -1.828  -5.041   7.053
   98    HA   LYS  15           HA       LYS  15   0.540  -6.526   7.866
   99   1HB   LYS  15          2HB       LYS  15  -1.448  -7.968   6.238
  100   2HB   LYS  15          1HB       LYS  15  -0.746  -8.401   7.774
  101   1HG   LYS  15          2HG       LYS  15  -2.931  -6.331   7.431
  102   2HG   LYS  15          1HG       LYS  15  -3.197  -7.995   7.933
  103   1HD   LYS  15          2HD       LYS  15  -1.398  -7.438   9.771
  104   2HD   LYS  15          1HD       LYS  15  -1.850  -5.767   9.433
  105   1HE   LYS  15          2HE       LYS  15  -4.257  -7.291   9.631
  106   2HE   LYS  15          1HE       LYS  15  -3.251  -7.695  11.022
  107   1HZ   LYS  15          3HZ       LYS  15  -3.948  -4.943  10.145
  108   2HZ   LYS  15          2HZ       LYS  15  -4.659  -5.770  11.448
  109   3HZ   LYS  15          1HZ       LYS  15  -3.015  -5.347  11.503
  110    HA   PRO  16           HA       PRO  16   2.400  -6.380   3.867
  111   1HB   PRO  16          2HB       PRO  16   4.472  -8.066   4.448
  112   2HB   PRO  16          1HB       PRO  16   4.389  -6.399   5.003
  113   1HG   PRO  16          2HG       PRO  16   4.029  -8.896   6.563
  114   2HG   PRO  16          1HG       PRO  16   4.465  -7.277   7.130
  115   1HD   PRO  16          2HD       PRO  16   1.882  -8.517   7.262
  116   2HD   PRO  16          1HD       PRO  16   2.289  -6.852   7.712
  117    H    PHE  17           H        PHE  17   2.907  -7.808   2.051
  118    HA   PHE  17           HA       PHE  17   2.278 -10.647   2.208
  119   1HB   PHE  17          2HB       PHE  17   0.307 -10.704   0.861
  120   2HB   PHE  17          1HB       PHE  17   0.003  -9.518   2.123
  121    HD1  PHE  17           HD2      PHE  17   0.575  -7.010   1.510
  122    HD2  PHE  17           HD1      PHE  17  -0.045 -10.138  -1.370
  123    HE1  PHE  17           HE2      PHE  17   0.087  -5.315  -0.235
  124    HE2  PHE  17           HE1      PHE  17  -0.537  -8.442  -3.108
  125    HZ   PHE  17           HZ       PHE  17  -0.470  -6.031  -2.540
  126    H    HIS  18           H        HIS  18   2.733 -11.769   0.186
  127    HA   HIS  18           HA       HIS  18   4.985 -10.696  -1.210
  128   1HB   HIS  18          2HB       HIS  18   4.861 -13.034  -0.966
  129   2HB   HIS  18          1HB       HIS  18   3.228 -13.093  -1.619
  130    HD1  HIS  18           HD1      HIS  18   6.826 -12.854  -2.664
  131    HD2  HIS  18           HD2      HIS  18   3.057 -12.848  -4.374
  132    HE1  HIS  18           HE1      HIS  18   7.164 -13.120  -5.171
  133    HA   PRO  19           HA       PRO  19   3.030  -8.133  -4.169
  134   1HB   PRO  19          2HB       PRO  19   5.196  -7.741  -5.793
  135   2HB   PRO  19          1HB       PRO  19   4.989  -6.975  -4.211
  136   1HG   PRO  19          2HG       PRO  19   6.761  -9.246  -4.983
  137   2HG   PRO  19          1HG       PRO  19   6.976  -8.040  -3.706
  138   1HD   PRO  19          2HD       PRO  19   6.093 -10.686  -3.325
  139   2HD   PRO  19          1HD       PRO  19   5.952  -9.373  -2.143
  140    H    LYS  20           H        LYS  20   4.943 -10.811  -5.655
  141    HA   LYS  20           HA       LYS  20   3.973 -10.536  -8.267
  142   1HB   LYS  20          2HB       LYS  20   5.683 -12.256  -7.264
  143   2HB   LYS  20          1HB       LYS  20   4.267 -13.296  -7.262
  144   1HG   LYS  20          2HG       LYS  20   3.939 -13.013  -9.627
  145   2HG   LYS  20          1HG       LYS  20   5.156 -11.736  -9.691
  146   1HD   LYS  20          2HD       LYS  20   6.921 -13.316  -9.144
  147   2HD   LYS  20          1HD       LYS  20   5.741 -14.604  -8.895
  148   1HE   LYS  20          2HE       LYS  20   5.633 -13.228 -11.527
  149   2HE   LYS  20          1HE       LYS  20   7.047 -14.240 -11.238
  150   1HZ   LYS  20          2HZ       LYS  20   4.217 -15.096 -10.938
  151   2HZ   LYS  20          1HZ       LYS  20   5.240 -15.499 -12.232
  152   3HZ   LYS  20          3HZ       LYS  20   5.582 -16.074 -10.673
  153    H    PHE  21           H        PHE  21   2.185 -11.683  -5.489
  154    HA   PHE  21           HA       PHE  21   0.105 -13.114  -6.817
  155   1HB   PHE  21          2HB       PHE  21  -0.095 -11.389  -4.371
  156   2HB   PHE  21          1HB       PHE  21  -1.262 -12.592  -4.857
  157    HD1  PHE  21           HD1      PHE  21   1.121 -14.522  -5.836
  158    HD2  PHE  21           HD2      PHE  21   0.159 -12.482  -2.178
  159    HE1  PHE  21           HE1      PHE  21   2.368 -16.233  -4.546
  160    HE2  PHE  21           HE2      PHE  21   1.406 -14.192  -0.893
  161    HZ   PHE  21           HZ       PHE  21   2.509 -16.072  -2.078
  162    H    ILE  22           H        ILE  22   0.646  -9.706  -6.148
  163    HA   ILE  22           HA       ILE  22  -1.845  -8.624  -6.969
  164    HB   ILE  22           HB       ILE  22   0.929  -7.414  -7.223
  165   1HG1  ILE  22          2HG1      ILE  22  -0.994  -6.781  -5.011
  166   2HG1  ILE  22          1HG1      ILE  22  -0.071  -8.280  -4.915
  167   1HG2  ILE  22          1HG2      ILE  22  -1.851  -6.336  -7.496
  168   2HG2  ILE  22          3HG2      ILE  22  -0.593  -5.296  -6.828
  169   3HG2  ILE  22          2HG2      ILE  22  -0.415  -5.969  -8.449
  170   1HD1  ILE  22          2HD1      ILE  22   1.941  -6.650  -5.569
  171   2HD1  ILE  22          1HD1      ILE  22   0.889  -5.455  -4.813
  172   3HD1  ILE  22          3HD1      ILE  22   1.432  -6.857  -3.894
  173    H    LYS  23           H        LYS  23  -2.788  -8.762  -8.918
  174    HA   LYS  23           HA       LYS  23  -1.238  -9.450 -11.316
  175   1HB   LYS  23          2HB       LYS  23  -3.649 -10.234 -10.712
  176   2HB   LYS  23          1HB       LYS  23  -4.145  -8.645 -11.294
  177   1HG   LYS  23          2HG       LYS  23  -2.975  -9.101 -13.449
  178   2HG   LYS  23          1HG       LYS  23  -2.587 -10.720 -12.867
  179   1HD   LYS  23          2HD       LYS  23  -4.555 -11.007 -14.162
  180   2HD   LYS  23          1HD       LYS  23  -5.120 -11.006 -12.492
  181   1HE   LYS  23          2HE       LYS  23  -6.435  -9.232 -12.917
  182   2HE   LYS  23          1HE       LYS  23  -5.031  -8.293 -13.419
  183   1HZ   LYS  23          2HZ       LYS  23  -5.218  -9.308 -15.626
  184   2HZ   LYS  23          1HZ       LYS  23  -6.621 -10.128 -15.130
  185   3HZ   LYS  23          3HZ       LYS  23  -6.614  -8.435 -15.209
  186    H    GLU  24           H        GLU  24  -2.599  -6.587  -9.808
  187    HA   GLU  24           HA       GLU  24  -1.337  -4.923 -11.911
  188   1HB   GLU  24          2HB       GLU  24  -4.246  -5.192 -11.480
  189   2HB   GLU  24          1HB       GLU  24  -3.667  -3.528 -11.524
  190   1HG   GLU  24          2HG       GLU  24  -2.852  -3.729 -13.710
  191   2HG   GLU  24          1HG       GLU  24  -2.751  -5.487 -13.614
  192    HA   LEU  25           HA       LEU  25  -0.960  -2.751  -7.998
  193   1HB   LEU  25          2HB       LEU  25   1.077  -4.029  -7.763
  194   2HB   LEU  25          1HB       LEU  25   1.859  -3.113  -9.050
  195    HG   LEU  25           HG       LEU  25   0.792  -1.434  -6.876
  196   1HD1  LEU  25          1HD1      LEU  25   1.753  -3.678  -5.857
  197   2HD1  LEU  25          3HD1      LEU  25   3.303  -2.912  -6.204
  198   3HD1  LEU  25          2HD1      LEU  25   2.148  -2.118  -5.133
  199   1HD2  LEU  25          3HD2      LEU  25   2.977  -1.508  -8.812
  200   2HD2  LEU  25          2HD2      LEU  25   2.246  -0.121  -8.006
  201   3HD2  LEU  25          1HD2      LEU  25   3.538  -1.019  -7.212
  202    NH1  ARG  26           NH2      ARG  26  -3.476   1.901 -15.688
  203    NH2  ARG  26           NH1      ARG  26  -4.003   3.971 -14.923
  204    H    ARG  26           H        ARG  26  -1.921  -0.757  -8.405
  205    HA   ARG  26           HA       ARG  26  -0.226   1.171  -9.902
  206   1HB   ARG  26          2HB       ARG  26  -2.919   0.397 -10.374
  207   2HB   ARG  26          1HB       ARG  26  -2.909   2.081  -9.872
  208   1HG   ARG  26          2HG       ARG  26  -1.018   2.421 -11.565
  209   2HG   ARG  26          1HG       ARG  26  -1.439   0.828 -12.192
  210   1HD   ARG  26          2HD       ARG  26  -3.755   1.590 -12.582
  211   2HD   ARG  26          1HD       ARG  26  -3.336   3.183 -11.956
  212    HE   ARG  26           HE       ARG  26  -1.514   2.871 -13.976
  213   1HH1  ARG  26          1HH2      ARG  26  -2.949   1.053 -15.602
  214   2HH1  ARG  26          2HH2      ARG  26  -4.124   2.012 -16.442
  215   1HH2  ARG  26          2HH1      ARG  26  -3.879   4.705 -14.254
  216   2HH2  ARG  26          1HH1      ARG  26  -4.652   4.086 -15.676
  217    H    VAL  27           H        VAL  27   0.501   2.825  -8.640
  218    HA   VAL  27           HA       VAL  27  -0.864   3.340  -6.054
  219    HB   VAL  27           HB       VAL  27   1.233   4.592  -5.518
  220   1HG1  VAL  27          1HG1      VAL  27   1.417   1.708  -6.392
  221   2HG1  VAL  27          3HG1      VAL  27   2.718   2.518  -5.518
  222   3HG1  VAL  27          2HG1      VAL  27   1.134   2.331  -4.768
  223   1HG2  VAL  27          1HG2      VAL  27   1.739   5.037  -8.001
  224   2HG2  VAL  27          3HG2      VAL  27   3.108   4.590  -6.984
  225   3HG2  VAL  27          2HG2      VAL  27   2.370   3.391  -8.046
  226    H    ILE  28           H        ILE  28  -1.482   5.498  -5.473
  227    HA   ILE  28           HA       ILE  28  -1.834   7.307  -7.829
  228    HB   ILE  28           HB       ILE  28  -3.322   7.225  -5.180
  229   1HG1  ILE  28          2HG1      ILE  28  -4.177   6.493  -8.003
  230   2HG1  ILE  28          1HG1      ILE  28  -3.846   5.343  -6.708
  231   1HG2  ILE  28          2HG2      ILE  28  -3.125   9.513  -6.157
  232   2HG2  ILE  28          1HG2      ILE  28  -3.819   8.907  -7.660
  233   3HG2  ILE  28          3HG2      ILE  28  -4.784   8.920  -6.185
  234   1HD1  ILE  28          2HD1      ILE  28  -5.648   6.436  -5.350
  235   2HD1  ILE  28          1HD1      ILE  28  -6.031   7.445  -6.745
  236   3HD1  ILE  28          3HD1      ILE  28  -6.249   5.698  -6.834
  237    H    GLU  29           H        GLU  29  -0.994   9.380  -7.761
  238    HA   GLU  29           HA       GLU  29   1.116   9.924  -5.857
  239   1HB   GLU  29          2HB       GLU  29  -0.168  11.503  -8.086
  240   2HB   GLU  29          1HB       GLU  29   1.054  12.218  -7.042
  241   1HG   GLU  29          2HG       GLU  29   2.635  11.276  -8.341
  242   2HG   GLU  29          1HG       GLU  29   2.082   9.699  -7.775
  243    H    SER  30           H        SER  30   1.090  12.314  -4.885
  244    HA   SER  30           HA       SER  30  -1.450  12.549  -3.332
  245   1HB   SER  30          2HB       SER  30   0.256  14.003  -1.869
  246   2HB   SER  30          1HB       SER  30   0.122  12.260  -1.677
  247    HG   SER  30           HG       SER  30   2.072  12.070  -2.439
  248    H    GLY  31           H        GLY  31  -2.096  14.765  -2.742
  249   1HA   GLY  31          2HA       GLY  31  -1.003  17.068  -4.113
  250   2HA   GLY  31          1HA       GLY  31  -2.474  16.498  -4.893
  251    HA   PRO  32           HA       PRO  32  -3.975  19.237  -1.539
  252   1HB   PRO  32          2HB       PRO  32  -6.065  20.231  -3.038
  253   2HB   PRO  32          1HB       PRO  32  -4.442  20.941  -3.028
  254   1HG   PRO  32          2HG       PRO  32  -5.741  19.249  -5.122
  255   2HG   PRO  32          1HG       PRO  32  -4.503  20.504  -5.301
  256   1HD   PRO  32          2HD       PRO  32  -4.012  17.740  -5.357
  257   2HD   PRO  32          1HD       PRO  32  -2.783  18.992  -5.079
  258    H    HIS  33           H        HIS  33  -5.648  17.102  -3.782
  259    HA   HIS  33           HA       HIS  33  -8.038  16.591  -2.326
  260   1HB   HIS  33          2HB       HIS  33  -8.170  14.534  -3.703
  261   2HB   HIS  33          1HB       HIS  33  -7.712  15.917  -4.690
  262    HD1  HIS  33           HD1      HIS  33  -5.094  16.107  -5.300
  263    HD2  HIS  33           HD2      HIS  33  -6.269  12.466  -3.644
  264    HE1  HIS  33           HE1      HIS  33  -3.147  14.529  -5.613
  265    H    CYS  34           H        CYS  34  -4.814  15.123  -2.156
  266    HA   CYS  34           HA       CYS  34  -5.347  14.143   0.526
  267   1HB   CYS  34          2HB       CYS  34  -6.043  12.347  -1.319
  268   2HB   CYS  34          1HB       CYS  34  -4.304  12.060  -1.358
  269    H    ALA  35           H        ALA  35  -3.581  15.070   1.471
  270    HA   ALA  35           HA       ALA  35  -1.123  15.635   0.121
  271   1HB   ALA  35          3HB       ALA  35  -1.831  15.471   3.054
  272   2HB   ALA  35          2HB       ALA  35  -0.237  15.965   2.484
  273   3HB   ALA  35          1HB       ALA  35  -1.659  16.920   2.063
  274    H    ASN  36           H        ASN  36  -2.135  12.842   2.060
  275    HA   ASN  36           HA       ASN  36   0.570  11.689   2.009
  276   1HB   ASN  36          2HB       ASN  36  -2.068  10.941   3.205
  277   2HB   ASN  36          1HB       ASN  36  -0.890   9.659   2.929
  278   1HD2  ASN  36          2HD2      ASN  36   1.248  10.702   5.554
  279   2HD2  ASN  36          1HD2      ASN  36   1.015   9.620   4.268
  280    H    THR  37           H        THR  37   1.294  10.179   0.565
  281    HA   THR  37           HA       THR  37  -0.249   9.662  -1.850
  282    HB   THR  37           HB       THR  37   2.224   8.107  -1.115
  283    HG1  THR  37           HG1      THR  37   3.254   9.900  -0.843
  284   1HG2  THR  37          3HG2      THR  37   1.071   9.308  -3.640
  285   2HG2  THR  37          2HG2      THR  37   2.690   8.614  -3.559
  286   3HG2  THR  37          1HG2      THR  37   1.279   7.599  -3.258
  287    H    GLU  38           H        GLU  38  -0.957   7.510  -2.569
  288    HA   GLU  38           HA       GLU  38  -1.189   5.491  -0.381
  289   1HB   GLU  38          2HB       GLU  38  -3.276   7.076  -0.837
  290   2HB   GLU  38          1HB       GLU  38  -3.542   5.954  -2.171
  291   1HG   GLU  38          2HG       GLU  38  -4.064   4.212  -0.783
  292   2HG   GLU  38          1HG       GLU  38  -2.907   4.715   0.450
  293    H    ILE  39           H        ILE  39  -1.247   3.344  -1.089
  294    HA   ILE  39           HA       ILE  39  -0.543   2.946  -3.965
  295    HB   ILE  39           HB       ILE  39  -0.182   1.212  -1.499
  296   1HG1  ILE  39          2HG1      ILE  39   2.262   1.583  -2.763
  297   2HG1  ILE  39          1HG1      ILE  39   1.471   3.145  -2.956
  298   1HG2  ILE  39          1HG2      ILE  39   0.337   0.621  -4.420
  299   2HG2  ILE  39          3HG2      ILE  39   1.156  -0.247  -3.121
  300   3HG2  ILE  39          2HG2      ILE  39  -0.599  -0.333  -3.270
  301   1HD1  ILE  39          1HD1      ILE  39   1.292   1.861  -0.272
  302   2HD1  ILE  39          3HD1      ILE  39   2.859   2.515  -0.746
  303   3HD1  ILE  39          2HD1      ILE  39   1.444   3.566  -0.694
  304    H    ILE  40           H        ILE  40  -1.620   1.133  -5.112
  305    HA   ILE  40           HA       ILE  40  -4.057   0.039  -3.846
  306    HB   ILE  40           HB       ILE  40  -4.223   1.519  -6.490
  307   1HG1  ILE  40          2HG1      ILE  40  -5.454   2.265  -3.818
  308   2HG1  ILE  40          1HG1      ILE  40  -3.969   2.984  -4.435
  309   1HG2  ILE  40          1HG2      ILE  40  -6.282   0.137  -4.736
  310   2HG2  ILE  40          3HG2      ILE  40  -6.666   1.086  -6.172
  311   3HG2  ILE  40          2HG2      ILE  40  -5.734  -0.404  -6.322
  312   1HD1  ILE  40          2HD1      ILE  40  -6.654   3.037  -5.843
  313   2HD1  ILE  40          1HD1      ILE  40  -5.933   4.388  -4.969
  314   3HD1  ILE  40          3HD1      ILE  40  -5.165   3.775  -6.435
  315    H    VAL  41           H        VAL  41  -3.505  -2.049  -4.090
  316    HA   VAL  41           HA       VAL  41  -2.508  -2.988  -6.721
  317    HB   VAL  41           HB       VAL  41  -1.755  -4.980  -5.458
  318   1HG1  VAL  41          3HG1      VAL  41  -0.267  -3.013  -5.731
  319   2HG1  VAL  41          2HG1      VAL  41  -0.866  -2.373  -4.201
  320   3HG1  VAL  41          1HG1      VAL  41   0.053  -3.879  -4.229
  321   1HG2  VAL  41          3HG2      VAL  41  -3.639  -4.411  -3.636
  322   2HG2  VAL  41          2HG2      VAL  41  -2.198  -5.339  -3.227
  323   3HG2  VAL  41          1HG2      VAL  41  -2.269  -3.616  -2.861
  324    H    LYS  42           H        LYS  42  -3.284  -5.266  -7.271
  325    HA   LYS  42           HA       LYS  42  -6.089  -5.757  -6.397
  326   1HB   LYS  42          2HB       LYS  42  -5.268  -4.837  -8.981
  327   2HB   LYS  42          1HB       LYS  42  -5.803  -6.509  -9.151
  328   1HG   LYS  42          2HG       LYS  42  -7.942  -6.015  -8.182
  329   2HG   LYS  42          1HG       LYS  42  -7.411  -4.411  -7.673
  330   1HD   LYS  42          2HD       LYS  42  -8.609  -3.931  -9.627
  331   2HD   LYS  42          1HD       LYS  42  -6.952  -4.035 -10.223
  332   1HE   LYS  42          2HE       LYS  42  -8.014  -6.677 -10.234
  333   2HE   LYS  42          1HE       LYS  42  -9.220  -5.629 -10.976
  334   1HZ   LYS  42          1HZ       LYS  42  -6.346  -5.683 -11.724
  335   2HZ   LYS  42          3HZ       LYS  42  -7.574  -6.493 -12.567
  336   3HZ   LYS  42          2HZ       LYS  42  -7.578  -4.797 -12.491
  337    H    LEU  43           H        LEU  43  -5.719  -7.643  -5.277
  338    HA   LEU  43           HA       LEU  43  -3.729  -9.575  -5.799
  339   1HB   LEU  43          2HB       LEU  43  -6.372  -9.672  -4.378
  340   2HB   LEU  43          1HB       LEU  43  -5.390 -11.116  -4.533
  341    HG   LEU  43           HG       LEU  43  -4.387  -8.495  -3.385
  342   1HD1  LEU  43          2HD1      LEU  43  -5.282 -11.029  -1.976
  343   2HD1  LEU  43          1HD1      LEU  43  -4.509  -9.650  -1.194
  344   3HD1  LEU  43          3HD1      LEU  43  -6.104  -9.470  -1.924
  345   1HD2  LEU  43          2HD2      LEU  43  -3.217 -11.258  -3.726
  346   2HD2  LEU  43          1HD2      LEU  43  -2.515  -9.703  -4.173
  347   3HD2  LEU  43          3HD2      LEU  43  -2.618 -10.169  -2.476
  348    H    SER  44           H        SER  44  -3.759 -11.561  -6.855
  349    HA   SER  44           HA       SER  44  -5.008 -11.750  -9.366
  350   1HB   SER  44          2HB       SER  44  -2.995 -13.077  -8.279
  351   2HB   SER  44          1HB       SER  44  -4.252 -14.254  -7.911
  352    HG   SER  44           HG       SER  44  -3.214 -13.419 -10.359
  353    H    ASP  45           H        ASP  45  -6.278 -12.652  -6.229
  354    HA   ASP  45           HA       ASP  45  -8.334 -14.392  -7.311
  355   1HB   ASP  45          2HB       ASP  45  -7.758 -13.266  -4.576
  356   2HB   ASP  45          1HB       ASP  45  -9.229 -14.182  -4.904
  357    H    GLY  46           H        GLY  46  -8.104 -11.362  -8.046
  358   1HA   GLY  46          2HA       GLY  46  -9.682  -9.774  -8.728
  359   2HA   GLY  46          1HA       GLY  46 -10.946 -10.879  -8.194
  360    NH1  ARG  47           NH1      ARG  47  -8.255 -10.071   1.643
  361    NH2  ARG  47           NH2      ARG  47 -10.271 -11.106   1.724
  362    H    ARG  47           H        ARG  47  -8.332  -9.744  -6.080
  363    HA   ARG  47           HA       ARG  47 -10.436  -8.407  -4.426
  364   1HB   ARG  47          2HB       ARG  47  -8.884 -10.330  -3.563
  365   2HB   ARG  47          1HB       ARG  47  -7.666  -9.061  -3.464
  366   1HG   ARG  47          2HG       ARG  47  -8.636  -8.117  -1.646
  367   2HG   ARG  47          1HG       ARG  47 -10.255  -8.262  -2.332
  368   1HD   ARG  47          2HD       ARG  47 -10.468 -10.524  -1.605
  369   2HD   ARG  47          1HD       ARG  47  -8.749 -10.644  -1.233
  370    HE   ARG  47           HE       ARG  47 -10.358  -8.681   0.309
  371   1HH1  ARG  47          2HH1      ARG  47  -7.641  -9.403   1.222
  372   2HH1  ARG  47          1HH1      ARG  47  -7.942 -10.616   2.421
  373   1HH2  ARG  47          1HH2      ARG  47 -11.197 -11.229   1.366
  374   2HH2  ARG  47          2HH2      ARG  47  -9.960 -11.654   2.501
  375    H    GLU  48           H        GLU  48  -9.674  -6.424  -3.235
  376    HA   GLU  48           HA       GLU  48  -7.588  -4.890  -4.719
  377   1HB   GLU  48          2HB       GLU  48 -10.074  -4.366  -5.373
  378   2HB   GLU  48          1HB       GLU  48 -10.130  -3.549  -3.810
  379   1HG   GLU  48          2HG       GLU  48  -8.144  -2.203  -4.468
  380   2HG   GLU  48          1HG       GLU  48  -8.162  -2.983  -6.049
  381    H    LEU  49           H        LEU  49  -6.125  -4.150  -3.266
  382    HA   LEU  49           HA       LEU  49  -7.078  -3.402  -0.534
  383   1HB   LEU  49          2HB       LEU  49  -5.282  -5.593  -1.243
  384   2HB   LEU  49          1HB       LEU  49  -4.513  -4.426  -0.168
  385    HG   LEU  49           HG       LEU  49  -6.754  -4.597   1.186
  386   1HD1  LEU  49          1HD1      LEU  49  -6.844  -6.923  -0.694
  387   2HD1  LEU  49          3HD1      LEU  49  -7.397  -7.167   0.962
  388   3HD1  LEU  49          2HD1      LEU  49  -8.169  -5.950  -0.053
  389   1HD2  LEU  49          3HD2      LEU  49  -4.411  -6.463   1.078
  390   2HD2  LEU  49          2HD2      LEU  49  -4.879  -5.328   2.343
  391   3HD2  LEU  49          1HD2      LEU  49  -5.739  -6.856   2.169
  392    H    CYS  50           H        CYS  50  -6.441  -1.329  -0.180
  393    HA   CYS  50           HA       CYS  50  -4.284  -0.148  -1.774
  394   1HB   CYS  50          2HB       CYS  50  -5.586   1.193   0.523
  395   2HB   CYS  50          1HB       CYS  50  -4.926   1.914  -0.916
  396    H    LEU  51           H        LEU  51  -2.239   0.260  -0.973
  397    HA   LEU  51           HA       LEU  51  -1.635  -0.981   1.622
  398   1HB   LEU  51          2HB       LEU  51   0.277  -0.107  -0.527
  399   2HB   LEU  51          1HB       LEU  51   0.649  -1.075   0.875
  400    HG   LEU  51           HG       LEU  51  -0.852  -1.859  -1.599
  401   1HD1  LEU  51          3HD1      LEU  51   1.602  -2.362  -1.103
  402   2HD1  LEU  51          2HD1      LEU  51   1.023  -3.436   0.168
  403   3HD1  LEU  51          1HD1      LEU  51   0.596  -3.752  -1.513
  404   1HD2  LEU  51          3HD2      LEU  51  -1.276  -2.955   1.191
  405   2HD2  LEU  51          2HD2      LEU  51  -2.496  -2.488   0.008
  406   3HD2  LEU  51          1HD2      LEU  51  -1.543  -3.948  -0.239
  407    H    ASP  52           H        ASP  52  -0.240  -0.001   3.089
  408    HA   ASP  52           HA       ASP  52  -0.462   2.961   3.173
  409   1HB   ASP  52          2HB       ASP  52  -1.355   1.420   5.037
  410   2HB   ASP  52          1HB       ASP  52   0.330   1.106   5.431
  411    HA   PRO  53           HA       PRO  53   3.899   2.856   2.162
  412   1HB   PRO  53          2HB       PRO  53   4.198   5.598   2.117
  413   2HB   PRO  53          1HB       PRO  53   3.565   4.639   0.767
  414   1HG   PRO  53          2HG       PRO  53   2.079   6.346   2.728
  415   2HG   PRO  53          1HG       PRO  53   1.696   5.986   1.036
  416   1HD   PRO  53          2HD       PRO  53   0.451   4.790   3.231
  417   2HD   PRO  53          1HD       PRO  53   0.479   4.109   1.590
  418    H    LYS  54           H        LYS  54   2.420   3.869   5.067
  419    HA   LYS  54           HA       LYS  54   4.585   5.090   6.433
  420   1HB   LYS  54          2HB       LYS  54   2.078   3.696   7.223
  421   2HB   LYS  54          1HB       LYS  54   3.325   3.852   8.458
  422   1HG   LYS  54          2HG       LYS  54   3.366   6.256   8.212
  423   2HG   LYS  54          1HG       LYS  54   2.299   6.179   6.808
  424   1HD   LYS  54          2HD       LYS  54   0.450   5.428   8.150
  425   2HD   LYS  54          1HD       LYS  54   1.492   5.176   9.550
  426   1HE   LYS  54          2HE       LYS  54   1.967   7.615   9.611
  427   2HE   LYS  54          1HE       LYS  54   0.867   7.847   8.253
  428   1HZ   LYS  54          1HZ       LYS  54  -0.914   6.887   9.613
  429   2HZ   LYS  54          3HZ       LYS  54   0.155   6.753  10.923
  430   3HZ   LYS  54          2HZ       LYS  54  -0.260   8.286  10.321
  431    H    GLU  55           H        GLU  55   3.821   1.702   5.733
  432    HA   GLU  55           HA       GLU  55   5.875   0.662   7.534
  433   1HB   GLU  55          2HB       GLU  55   4.241  -0.600   5.320
  434   2HB   GLU  55          1HB       GLU  55   5.380  -1.484   6.317
  435   1HG   GLU  55          2HG       GLU  55   3.580  -1.852   7.649
  436   2HG   GLU  55          1HG       GLU  55   3.915  -0.232   8.231
  437    H    ASN  56           H        ASN  56   7.618  -0.722   6.588
  438    HA   ASN  56           HA       ASN  56   8.916   0.681   4.328
  439   1HB   ASN  56          2HB       ASN  56   9.841  -0.618   6.696
  440   2HB   ASN  56          1HB       ASN  56  10.563  -1.387   5.289
  441   1HD2  ASN  56          2HD2      ASN  56  11.461   2.536   6.101
  442   2HD2  ASN  56          1HD2      ASN  56  10.115   1.815   6.844
  443    CH2  TRP  57           CH2      TRP  57   1.487  -4.469   2.425
  444    H    TRP  57           H        TRP  57   7.133  -2.169   5.006
  445    HA   TRP  57           HA       TRP  57   8.280  -3.745   2.871
  446   1HB   TRP  57          2HB       TRP  57   6.743  -5.430   3.504
  447   2HB   TRP  57          1HB       TRP  57   7.237  -4.670   4.987
  448    HD1  TRP  57           HD1      TRP  57   5.429  -3.635   6.436
  449    HE1  TRP  57           HE1      TRP  57   2.874  -3.481   6.277
  450    HE3  TRP  57           HE3      TRP  57   4.743  -5.039   1.594
  451    HZ2  TRP  57           HZ2      TRP  57   0.803  -3.828   4.363
  452    HZ3  TRP  57           HZ3      TRP  57   2.472  -5.093   0.620
  453    HH2  TRP  57           HH2      TRP  57   0.497  -4.500   1.994
  454    H    VAL  58           H        VAL  58   5.414  -1.728   3.346
  455    HA   VAL  58           HA       VAL  58   4.169  -2.363   0.826
  456    HB   VAL  58           HB       VAL  58   3.975  -0.105   2.790
  457   1HG1  VAL  58          2HG1      VAL  58   2.955  -0.093  -0.044
  458   2HG1  VAL  58          1HG1      VAL  58   2.093   0.774   1.228
  459   3HG1  VAL  58          3HG1      VAL  58   3.761   1.201   0.843
  460   1HG2  VAL  58          2HG2      VAL  58   2.236  -2.300   1.748
  461   2HG2  VAL  58          1HG2      VAL  58   2.591  -1.850   3.415
  462   3HG2  VAL  58          3HG2      VAL  58   1.488  -0.870   2.455
  463    H    GLN  59           H        GLN  59   6.474   0.179   1.808
  464    HA   GLN  59           HA       GLN  59   6.638   1.329  -0.834
  465   1HB   GLN  59          2HB       GLN  59   8.455   2.661   0.073
  466   2HB   GLN  59          1HB       GLN  59   7.116   2.625   1.215
  467   1HG   GLN  59          2HG       GLN  59   8.232   0.757   2.399
  468   2HG   GLN  59          1HG       GLN  59   9.600   0.914   1.306
  469   1HE2  GLN  59          2HE2      GLN  59   8.956   3.923   4.055
  470   2HE2  GLN  59          1HE2      GLN  59   7.637   2.992   3.532
  471    NH1  ARG  60           NH2      ARG  60  13.184  -5.565   3.342
  472    NH2  ARG  60           NH1      ARG  60  14.303  -3.788   4.197
  473    H    ARG  60           H        ARG  60   8.359  -1.227   0.857
  474    HA   ARG  60           HA       ARG  60  10.501  -1.383  -1.132
  475   1HB   ARG  60          2HB       ARG  60   9.676  -2.979   1.270
  476   2HB   ARG  60          1HB       ARG  60  10.711  -3.747   0.070
  477   1HG   ARG  60          2HG       ARG  60  12.441  -2.166   0.369
  478   2HG   ARG  60          1HG       ARG  60  11.369  -1.018   1.172
  479   1HD   ARG  60          2HD       ARG  60  12.240  -1.863   3.092
  480   2HD   ARG  60          1HD       ARG  60  11.143  -3.212   2.806
  481    HE   ARG  60           HE       ARG  60  13.624  -3.629   1.399
  482   1HH1  ARG  60          1HH2      ARG  60  12.606  -5.963   2.630
  483   2HH1  ARG  60          2HH2      ARG  60  13.485  -6.126   4.113
  484   1HH2  ARG  60          2HH1      ARG  60  14.580  -2.828   4.139
  485   2HH2  ARG  60          1HH1      ARG  60  14.606  -4.349   4.969
  486    H    VAL  61           H        VAL  61   7.443  -3.029  -0.413
  487    HA   VAL  61           HA       VAL  61   7.618  -5.069  -2.408
  488    HB   VAL  61           HB       VAL  61   5.368  -3.708  -0.937
  489   1HG1  VAL  61          2HG1      VAL  61   5.142  -5.369  -3.412
  490   2HG1  VAL  61          1HG1      VAL  61   3.967  -5.629  -2.124
  491   3HG1  VAL  61          3HG1      VAL  61   4.132  -4.035  -2.858
  492   1HG2  VAL  61          2HG2      VAL  61   6.689  -5.470   0.171
  493   2HG2  VAL  61          1HG2      VAL  61   5.027  -5.999  -0.083
  494   3HG2  VAL  61          3HG2      VAL  61   6.311  -6.584  -1.140
  495    H    VAL  62           H        VAL  62   6.321  -1.753  -2.524
  496    HA   VAL  62           HA       VAL  62   5.410  -1.871  -5.245
  497    HB   VAL  62           HB       VAL  62   6.246   0.457  -3.488
  498   1HG1  VAL  62          2HG1      VAL  62   5.069   0.414  -6.279
  499   2HG1  VAL  62          1HG1      VAL  62   4.948   1.817  -5.217
  500   3HG1  VAL  62          3HG1      VAL  62   6.530   1.237  -5.736
  501   1HG2  VAL  62          3HG2      VAL  62   4.098  -1.118  -3.190
  502   2HG2  VAL  62          2HG2      VAL  62   4.020   0.619  -2.901
  503   3HG2  VAL  62          1HG2      VAL  62   3.456  -0.045  -4.434
  504    H    GLU  63           H        GLU  63   8.520  -0.861  -3.801
  505    HA   GLU  63           HA       GLU  63   9.715  -0.038  -6.263
  506   1HB   GLU  63          2HB       GLU  63  10.605  -0.516  -3.495
  507   2HB   GLU  63          1HB       GLU  63  11.845  -0.825  -4.710
  508   1HG   GLU  63          2HG       GLU  63  12.159   1.448  -4.377
  509   2HG   GLU  63          1HG       GLU  63  10.987   1.486  -5.694
  510    H    LYS  64           H        LYS  64   9.796  -3.139  -4.480
  511    HA   LYS  64           HA       LYS  64  11.535  -4.458  -6.328
  512   1HB   LYS  64          2HB       LYS  64  10.794  -5.137  -3.902
  513   2HB   LYS  64          1HB       LYS  64   9.468  -5.944  -4.738
  514   1HG   LYS  64          2HG       LYS  64  11.145  -7.606  -4.592
  515   2HG   LYS  64          1HG       LYS  64  11.297  -6.986  -6.236
  516   1HD   LYS  64          2HD       LYS  64  13.082  -5.415  -5.399
  517   2HD   LYS  64          1HD       LYS  64  13.005  -6.244  -3.844
  518   1HE   LYS  64          2HE       LYS  64  13.752  -8.302  -4.792
  519   2HE   LYS  64          1HE       LYS  64  13.494  -7.722  -6.437
  520   1HZ   LYS  64          2HZ       LYS  64  15.490  -6.642  -4.518
  521   2HZ   LYS  64          1HZ       LYS  64  15.834  -7.666  -5.829
  522   3HZ   LYS  64          3HZ       LYS  64  15.248  -6.100  -6.110
  523    H    PHE  65           H        PHE  65   8.058  -3.920  -6.252
  524    HA   PHE  65           HA       PHE  65   7.387  -5.871  -8.282
  525   1HB   PHE  65          2HB       PHE  65   5.893  -4.632  -6.505
  526   2HB   PHE  65          1HB       PHE  65   5.773  -3.396  -7.748
  527    HD1  PHE  65           HD1      PHE  65   5.583  -7.151  -7.477
  528    HD2  PHE  65           HD2      PHE  65   3.998  -3.563  -9.226
  529    HE1  PHE  65           HE1      PHE  65   3.850  -8.484  -8.649
  530    HE2  PHE  65           HE2      PHE  65   2.267  -4.894 -10.399
  531    HZ   PHE  65           HZ       PHE  65   2.193  -7.356 -10.110
  532    H    LEU  66           H        LEU  66   7.951  -2.337  -8.306
  533    HA   LEU  66           HA       LEU  66   7.544  -2.097 -11.177
  534   1HB   LEU  66          2HB       LEU  66   7.422  -0.266  -9.285
  535   2HB   LEU  66          1HB       LEU  66   9.155  -0.120  -9.583
  536    HG   LEU  66           HG       LEU  66   8.368  -0.042 -12.121
  537   1HD1  LEU  66          1HD1      LEU  66   5.959   0.943 -10.558
  538   2HD1  LEU  66          3HD1      LEU  66   6.212   1.224 -12.281
  539   3HD1  LEU  66          2HD1      LEU  66   5.998  -0.420 -11.677
  540   1HD2  LEU  66          1HD2      LEU  66   8.326   2.175 -10.065
  541   2HD2  LEU  66          3HD2      LEU  66   9.597   1.782 -11.225
  542   3HD2  LEU  66          2HD2      LEU  66   8.088   2.508 -11.782
  543    H    LYS  67           H        LYS  67  10.493  -1.844  -9.142
  544    HA   LYS  67           HA       LYS  67  12.746  -2.206  -9.657
  545   1HB   LYS  67          2HB       LYS  67  11.305  -4.295 -11.274
  546   2HB   LYS  67          1HB       LYS  67  13.053  -4.125 -11.418
  547   1HG   LYS  67          2HG       LYS  67  12.018  -4.147  -8.645
  548   2HG   LYS  67          1HG       LYS  67  11.834  -5.664  -9.525
  549   1HD   LYS  67          2HD       LYS  67  14.464  -4.212  -9.613
  550   2HD   LYS  67          1HD       LYS  67  14.061  -5.196  -8.206
  551   1HE   LYS  67          2HE       LYS  67  13.666  -6.373 -10.935
  552   2HE   LYS  67          1HE       LYS  67  15.304  -6.267 -10.291
  553   1HZ   LYS  67          1HZ       LYS  67  12.995  -7.551  -8.931
  554   2HZ   LYS  67          3HZ       LYS  67  14.251  -8.369  -9.723
  555   3HZ   LYS  67          2HZ       LYS  67  14.580  -7.461  -8.326
  556    NH1  ARG  68           NH1      ARG  68  18.461  -0.273 -10.181
  557    NH2  ARG  68           NH2      ARG  68  19.760   0.896 -11.626
  558    H    ARG  68           H        ARG  68  12.084   0.086 -10.770
  559    HA   ARG  68           HA       ARG  68  12.646   1.608 -12.454
  560   1HB   ARG  68          2HB       ARG  68  14.344  -0.718 -13.416
  561   2HB   ARG  68          1HB       ARG  68  14.424   0.915 -14.074
  562   1HG   ARG  68          2HG       ARG  68  14.969   1.770 -11.791
  563   2HG   ARG  68          1HG       ARG  68  15.002   0.106 -11.209
  564   1HD   ARG  68          2HD       ARG  68  16.860  -0.445 -12.624
  565   2HD   ARG  68          1HD       ARG  68  16.716   1.074 -13.510
  566    HE   ARG  68           HE       ARG  68  17.333   2.170 -11.252
  567   1HH1  ARG  68          2HH1      ARG  68  17.560  -0.478  -9.797
  568   2HH1  ARG  68          1HH1      ARG  68  19.270  -0.756  -9.844
  569   1HH2  ARG  68          1HH2      ARG  68  19.852   1.584 -12.345
  570   2HH2  ARG  68          2HH2      ARG  68  20.569   0.413 -11.290
  571    H    ALA  69           H        ALA  69  12.612   1.817 -14.999
  572    HA   ALA  69           HA       ALA  69  11.379   1.631 -16.979
  573   1HB   ALA  69          1HB       ALA  69  12.239  -0.836 -16.602
  574   2HB   ALA  69          3HB       ALA  69  10.540  -1.158 -16.251
  575   3HB   ALA  69          2HB       ALA  69  11.008  -0.506 -17.822
  576    H    GLU  70           H        GLU  70   9.002   0.738 -17.718
  577    HA   GLU  70           HA       GLU  70   7.104   1.482 -15.523
  578   1HB   GLU  70          2HB       GLU  70   5.699   2.588 -17.233
  579   2HB   GLU  70          1HB       GLU  70   7.299   3.323 -17.148
  580   1HG   GLU  70          2HG       GLU  70   7.636   2.880 -19.329
  581   2HG   GLU  70          1HG       GLU  70   7.404   1.159 -19.029
  582    H    ASN  71           H        ASN  71   4.894   0.579 -15.830
  583    HA   ASN  71           HA       ASN  71   5.055  -2.193 -16.839
  584   1HB   ASN  71          2HB       ASN  71   2.797  -0.755 -15.405
  585   2HB   ASN  71          1HB       ASN  71   2.882  -2.488 -15.724
  586   1HD2  ASN  71          2HD2      ASN  71   5.539  -2.988 -13.281
  587   2HD2  ASN  71          1HD2      ASN  71   5.068  -3.521 -14.821
  588    H    SER  72           H        SER  72   2.609   0.426 -17.163
  589    HA   SER  72           HA       SER  72   2.405  -0.207 -20.056
  590   1HB   SER  72          2HB       SER  72  -0.164  -0.131 -19.752
  591   2HB   SER  72          1HB       SER  72   0.667  -1.610 -19.280
  592    HG   SER  72           HG       SER  72  -0.351  -1.241 -17.460
  593   1HC   CH3  25          1H        LEU  25   0.002  -3.809 -11.951
  594   2HC   CH3  25          2H        LEU  25  -0.637  -2.208 -11.582
  595   3HC   CH3  25          3H        LEU  25   0.980  -2.661 -11.042
   
  Start of MODEL          26
 Raw file had  595 H/Q atoms
  Start of MODEL   26
    1   1H    GLU   4          3H        GLU   4 -10.657  19.151   0.065
    2   2H    GLU   4          2H        GLU   4 -11.508  20.598  -0.202
    3   3H    GLU   4          1H        GLU   4 -12.298  19.104  -0.363
    4    HA   GLU   4           HA       GLU   4 -11.878  19.844  -2.546
    5   1HB   GLU   4          2HB       GLU   4 -10.009  21.425  -1.590
    6   2HB   GLU   4          1HB       GLU   4  -8.935  20.078  -1.965
    7   1HG   GLU   4          2HG       GLU   4  -9.579  20.113  -4.290
    8   2HG   GLU   4          1HG       GLU   4 -10.863  21.278  -3.970
    9    H    LEU   5           H        LEU   5 -12.413  17.421  -1.975
   10    HA   LEU   5           HA       LEU   5 -12.093  15.189  -2.596
   11   1HB   LEU   5          2HB       LEU   5 -10.572  16.672  -4.458
   12   2HB   LEU   5          1HB       LEU   5  -9.527  15.357  -3.920
   13    HG   LEU   5           HG       LEU   5 -12.380  14.726  -4.583
   14   1HD1  LEU   5          1HD1      LEU   5 -10.168  15.164  -6.612
   15   2HD1  LEU   5          3HD1      LEU   5 -11.706  14.373  -6.962
   16   3HD1  LEU   5          2HD1      LEU   5 -11.674  16.073  -6.493
   17   1HD2  LEU   5          3HD2      LEU   5  -9.746  13.349  -4.380
   18   2HD2  LEU   5          2HD2      LEU   5 -11.351  12.780  -3.919
   19   3HD2  LEU   5          1HD2      LEU   5 -10.857  12.746  -5.611
   20    NH1  ARG   6           NH1      ARG   6 -11.441  16.306   4.244
   21    NH2  ARG   6           NH2      ARG   6  -9.439  17.335   4.505
   22    H    ARG   6           H        ARG   6 -10.702  13.311  -2.071
   23    HA   ARG   6           HA       ARG   6  -8.388  13.867  -0.311
   24   1HB   ARG   6          2HB       ARG   6 -10.934  13.468   0.772
   25   2HB   ARG   6          1HB       ARG   6 -10.153  11.898   0.923
   26   1HG   ARG   6          2HG       ARG   6  -9.410  12.903   2.872
   27   2HG   ARG   6          1HG       ARG   6  -8.112  13.369   1.771
   28   1HD   ARG   6          2HD       ARG   6  -8.721  15.567   1.777
   29   2HD   ARG   6          1HD       ARG   6 -10.444  15.191   1.793
   30    HE   ARG   6           HE       ARG   6  -9.103  14.599   4.324
   31   1HH1  ARG   6          1HH1      ARG   6 -11.907  17.122   4.589
   32   2HH1  ARG   6          2HH1      ARG   6 -11.975  15.505   3.972
   33   1HH2  ARG   6          1HH2      ARG   6  -8.441  17.321   4.431
   34   2HH2  ARG   6          2HH2      ARG   6  -9.902  18.152   4.850
   35    H    CYS   7           H        CYS   7  -8.177  11.239   0.731
   36    HA   CYS   7           HA       CYS   7  -7.021   9.842  -1.529
   37   1HB   CYS   7          2HB       CYS   7  -7.359   9.296   1.399
   38   2HB   CYS   7          1HB       CYS   7  -6.924   7.965   0.329
   39    H    GLN   8           H        GLN   8  -8.018   8.466  -2.890
   40    HA   GLN   8           HA       GLN   8 -10.815   7.893  -2.753
   41   1HB   GLN   8          2HB       GLN   8  -8.887   7.629  -4.685
   42   2HB   GLN   8          1HB       GLN   8  -9.159   5.944  -4.237
   43   1HG   GLN   8          2HG       GLN   8 -10.768   6.300  -5.912
   44   2HG   GLN   8          1HG       GLN   8 -11.691   6.547  -4.429
   45   1HE2  GLN   8          2HE2      GLN   8 -12.648   9.743  -5.549
   46   2HE2  GLN   8          1HE2      GLN   8 -13.093   8.284  -4.806
   47    H    CYS   9           H        CYS   9  -8.068   6.362  -1.244
   48    HA   CYS   9           HA       CYS   9  -9.794   4.046  -0.452
   49   1HB   CYS   9          2HB       CYS   9  -6.890   4.345  -0.991
   50   2HB   CYS   9          1HB       CYS   9  -7.317   3.323   0.379
   51    H    ILE  10           H        ILE  10 -10.837   4.819   1.350
   52    HA   ILE  10           HA       ILE  10  -9.658   6.554   3.316
   53    HB   ILE  10           HB       ILE  10 -12.001   4.646   3.618
   54   1HG1  ILE  10          2HG1      ILE  10 -12.853   7.332   3.326
   55   2HG1  ILE  10          1HG1      ILE  10 -11.658   7.062   2.059
   56   1HG2  ILE  10          3HG2      ILE  10 -11.069   7.049   5.209
   57   2HG2  ILE  10          2HG2      ILE  10 -12.698   6.386   5.338
   58   3HG2  ILE  10          1HG2      ILE  10 -11.307   5.400   5.788
   59   1HD1  ILE  10          1HD1      ILE  10 -13.577   4.846   2.437
   60   2HD1  ILE  10          3HD1      ILE  10 -14.288   6.350   1.851
   61   3HD1  ILE  10          2HD1      ILE  10 -12.984   5.580   0.947
   62    H    LYS  11           H        LYS  11  -9.749   3.053   2.939
   63    HA   LYS  11           HA       LYS  11  -8.178   2.795   5.476
   64   1HB   LYS  11          2HB       LYS  11 -10.069   0.856   4.116
   65   2HB   LYS  11          1HB       LYS  11  -8.967   0.377   5.408
   66   1HG   LYS  11          2HG       LYS  11 -10.035   1.762   6.998
   67   2HG   LYS  11          1HG       LYS  11 -10.852   2.708   5.754
   68   1HD   LYS  11          2HD       LYS  11 -12.619   1.362   6.316
   69   2HD   LYS  11          1HD       LYS  11 -11.846   0.266   5.170
   70   1HE   LYS  11          2HE       LYS  11 -10.491  -0.579   7.217
   71   2HE   LYS  11          1HE       LYS  11 -11.734   0.218   8.182
   72   1HZ   LYS  11          2HZ       LYS  11 -12.272  -1.797   6.068
   73   2HZ   LYS  11          1HZ       LYS  11 -12.225  -2.133   7.732
   74   3HZ   LYS  11          3HZ       LYS  11 -13.413  -1.094   7.113
   75    H    THR  12           H        THR  12  -6.216   1.679   5.354
   76    HA   THR  12           HA       THR  12  -5.390   0.812   2.613
   77    HB   THR  12           HB       THR  12  -3.024   1.286   3.906
   78    HG1  THR  12           HG1      THR  12  -3.791   2.338   5.634
   79   1HG2  THR  12          1HG2      THR  12  -3.746   1.934   1.621
   80   2HG2  THR  12          3HG2      THR  12  -4.624   3.293   2.321
   81   3HG2  THR  12          2HG2      THR  12  -2.868   3.211   2.461
   82    OH   TYR  13           OH       TYR  13  -2.679  -8.644   4.204
   83    H    TYR  13           H        TYR  13  -3.044  -0.426   3.171
   84    HA   TYR  13           HA       TYR  13  -3.921  -2.757   4.799
   85   1HB   TYR  13          2HB       TYR  13  -3.474  -2.902   2.240
   86   2HB   TYR  13          1HB       TYR  13  -1.775  -2.799   2.691
   87    HD1  TYR  13           HD1      TYR  13  -4.107  -4.383   5.007
   88    HD2  TYR  13           HD2      TYR  13  -1.394  -5.016   1.743
   89    HE1  TYR  13           HE1      TYR  13  -4.069  -6.816   5.522
   90    HE2  TYR  13           HE2      TYR  13  -1.350  -7.454   2.252
   91    HH   TYR  13           HH       TYR  13  -3.559  -8.999   4.051
   92    H    SER  14           H        SER  14  -2.846  -2.974   6.689
   93    HA   SER  14           HA       SER  14  -0.198  -1.669   7.011
   94   1HB   SER  14          2HB       SER  14  -2.351  -1.781   8.704
   95   2HB   SER  14          1HB       SER  14  -1.368  -3.110   9.312
   96    HG   SER  14           HG       SER  14  -1.035  -0.622   9.858
   97    H    LYS  15           H        LYS  15  -1.720  -4.866   6.991
   98    HA   LYS  15           HA       LYS  15   0.706  -6.230   7.842
   99   1HB   LYS  15          2HB       LYS  15  -1.313  -7.724   6.266
  100   2HB   LYS  15          1HB       LYS  15  -0.475  -8.189   7.722
  101   1HG   LYS  15          2HG       LYS  15  -2.733  -6.169   7.634
  102   2HG   LYS  15          1HG       LYS  15  -2.909  -7.853   8.112
  103   1HD   LYS  15          2HD       LYS  15  -0.942  -6.001   9.469
  104   2HD   LYS  15          1HD       LYS  15  -2.609  -6.171  10.019
  105   1HE   LYS  15          2HE       LYS  15  -0.883  -8.606   9.598
  106   2HE   LYS  15          1HE       LYS  15  -0.792  -7.692  11.102
  107   1HZ   LYS  15          2HZ       LYS  15  -3.206  -7.961  11.334
  108   2HZ   LYS  15          1HZ       LYS  15  -3.229  -8.926   9.935
  109   3HZ   LYS  15          3HZ       LYS  15  -2.394  -9.452  11.315
  110    HA   PRO  16           HA       PRO  16   2.550  -6.150   3.839
  111   1HB   PRO  16          2HB       PRO  16   4.654  -7.784   4.453
  112   2HB   PRO  16          1HB       PRO  16   4.541  -6.110   4.978
  113   1HG   PRO  16          2HG       PRO  16   4.223  -8.586   6.582
  114   2HG   PRO  16          1HG       PRO  16   4.630  -6.948   7.121
  115   1HD   PRO  16          2HD       PRO  16   2.063  -8.229   7.270
  116   2HD   PRO  16          1HD       PRO  16   2.443  -6.551   7.692
  117    H    PHE  17           H        PHE  17   3.131  -7.641   2.065
  118    HA   PHE  17           HA       PHE  17   2.521 -10.477   2.298
  119   1HB   PHE  17          2HB       PHE  17   0.549 -10.594   0.957
  120   2HB   PHE  17          1HB       PHE  17   0.233  -9.377   2.184
  121    HD1  PHE  17           HD2      PHE  17   0.931  -6.884   1.454
  122    HD2  PHE  17           HD1      PHE  17   0.031 -10.102  -1.247
  123    HE1  PHE  17           HE2      PHE  17   0.412  -5.245  -0.331
  124    HE2  PHE  17           HE1      PHE  17  -0.492  -8.461  -3.027
  125    HZ   PHE  17           HZ       PHE  17  -0.301  -6.031  -2.569
  126    H    HIS  18           H        HIS  18   2.883 -11.633   0.236
  127    HA   HIS  18           HA       HIS  18   5.161 -10.593  -1.169
  128   1HB   HIS  18          2HB       HIS  18   5.064 -12.921  -0.866
  129   2HB   HIS  18          1HB       HIS  18   3.418 -13.013  -1.477
  130    HD1  HIS  18           HD1      HIS  18   6.986 -12.839  -2.608
  131    HD2  HIS  18           HD2      HIS  18   3.184 -12.825  -4.243
  132    HE1  HIS  18           HE1      HIS  18   7.269 -13.190  -5.110
  133    HA   PRO  19           HA       PRO  19   3.201  -8.128  -4.207
  134   1HB   PRO  19          2HB       PRO  19   5.346  -7.836  -5.881
  135   2HB   PRO  19          1HB       PRO  19   5.169  -6.994  -4.334
  136   1HG   PRO  19          2HG       PRO  19   6.902  -9.322  -5.025
  137   2HG   PRO  19          1HG       PRO  19   7.152  -8.059  -3.808
  138   1HD   PRO  19          2HD       PRO  19   6.250 -10.673  -3.291
  139   2HD   PRO  19          1HD       PRO  19   6.132  -9.304  -2.171
  140    H    LYS  20           H        LYS  20   5.094 -10.841  -5.651
  141    HA   LYS  20           HA       LYS  20   4.052 -10.676  -8.240
  142   1HB   LYS  20          2HB       LYS  20   5.791 -12.356  -7.162
  143   2HB   LYS  20          1HB       LYS  20   4.382 -13.405  -7.190
  144   1HG   LYS  20          2HG       LYS  20   4.074 -12.942  -9.596
  145   2HG   LYS  20          1HG       LYS  20   5.503 -11.908  -9.568
  146   1HD   LYS  20          2HD       LYS  20   6.633 -14.079  -8.529
  147   2HD   LYS  20          1HD       LYS  20   5.315 -14.891  -9.374
  148   1HE   LYS  20          2HE       LYS  20   6.697 -12.824 -10.967
  149   2HE   LYS  20          1HE       LYS  20   7.699 -14.209 -10.538
  150   1HZ   LYS  20          3HZ       LYS  20   5.992 -15.673 -11.431
  151   2HZ   LYS  20          2HZ       LYS  20   5.039 -14.331 -11.855
  152   3HZ   LYS  20          1HZ       LYS  20   6.536 -14.586 -12.614
  153    H    PHE  21           H        PHE  21   2.331 -11.710  -5.385
  154    HA   PHE  21           HA       PHE  21   0.246 -13.237  -6.601
  155   1HB   PHE  21          2HB       PHE  21   0.120 -11.418  -4.221
  156   2HB   PHE  21          1HB       PHE  21  -1.087 -12.609  -4.631
  157    HD1  PHE  21           HD2      PHE  21   1.239 -14.608  -5.627
  158    HD2  PHE  21           HD1      PHE  21   0.405 -12.456  -2.001
  159    HE1  PHE  21           HE2      PHE  21   2.498 -16.300  -4.324
  160    HE2  PHE  21           HE1      PHE  21   1.660 -14.151  -0.703
  161    HZ   PHE  21           HZ       PHE  21   2.705 -16.077  -1.866
  162    H    ILE  22           H        ILE  22   0.729  -9.793  -6.069
  163    HA   ILE  22           HA       ILE  22  -1.810  -8.813  -6.890
  164    HB   ILE  22           HB       ILE  22   0.926  -7.526  -7.157
  165   1HG1  ILE  22          2HG1      ILE  22  -0.976  -6.786  -4.991
  166   2HG1  ILE  22          1HG1      ILE  22  -0.198  -8.360  -4.842
  167   1HG2  ILE  22          3HG2      ILE  22  -1.852  -6.579  -7.620
  168   2HG2  ILE  22          2HG2      ILE  22  -0.775  -5.477  -6.764
  169   3HG2  ILE  22          1HG2      ILE  22  -0.347  -6.059  -8.372
  170   1HD1  ILE  22          2HD1      ILE  22   1.895  -6.718  -5.609
  171   2HD1  ILE  22          1HD1      ILE  22   0.952  -5.682  -4.538
  172   3HD1  ILE  22          3HD1      ILE  22   1.554  -7.233  -3.958
  173    H    LYS  23           H        LYS  23  -2.756  -8.994  -8.831
  174    HA   LYS  23           HA       LYS  23  -1.203  -9.678 -11.229
  175   1HB   LYS  23          2HB       LYS  23  -4.118  -9.391 -10.550
  176   2HB   LYS  23          1HB       LYS  23  -3.622  -9.368 -12.240
  177   1HG   LYS  23          2HG       LYS  23  -2.535 -11.529 -10.476
  178   2HG   LYS  23          1HG       LYS  23  -4.205 -11.659 -11.026
  179   1HD   LYS  23          2HD       LYS  23  -2.141 -10.954 -13.065
  180   2HD   LYS  23          1HD       LYS  23  -2.171 -12.617 -12.479
  181   1HE   LYS  23          2HE       LYS  23  -4.689 -12.583 -12.948
  182   2HE   LYS  23          1HE       LYS  23  -4.399 -11.086 -13.833
  183   1HZ   LYS  23          1HZ       LYS  23  -2.804 -12.261 -15.221
  184   2HZ   LYS  23          3HZ       LYS  23  -3.098 -13.702 -14.374
  185   3HZ   LYS  23          2HZ       LYS  23  -4.334 -12.996 -15.302
  186    H    GLU  24           H        GLU  24  -2.672  -6.851  -9.757
  187    HA   GLU  24           HA       GLU  24  -1.487  -5.160 -11.891
  188   1HB   GLU  24          2HB       GLU  24  -4.404  -5.261 -11.133
  189   2HB   GLU  24          1HB       GLU  24  -3.691  -3.766 -11.739
  190   1HG   GLU  24          2HG       GLU  24  -2.790  -5.182 -13.690
  191   2HG   GLU  24          1HG       GLU  24  -3.912  -6.432 -13.146
  192    HA   LEU  25           HA       LEU  25  -1.095  -2.979  -7.979
  193   1HB   LEU  25          2HB       LEU  25   0.897  -4.289  -7.670
  194   2HB   LEU  25          1HB       LEU  25   1.724  -3.456  -8.985
  195    HG   LEU  25           HG       LEU  25   0.708  -1.655  -6.883
  196   1HD1  LEU  25          3HD1      LEU  25   1.615  -3.919  -5.805
  197   2HD1  LEU  25          2HD1      LEU  25   3.172  -3.151  -6.120
  198   3HD1  LEU  25          1HD1      LEU  25   1.979  -2.346  -5.098
  199   1HD2  LEU  25          3HD2      LEU  25   2.799  -1.807  -8.860
  200   2HD2  LEU  25          2HD2      LEU  25   2.267  -0.408  -7.930
  201   3HD2  LEU  25          1HD2      LEU  25   3.518  -1.470  -7.286
  202    NH1  ARG  26           NH1      ARG  26  -3.972  -0.796 -12.900
  203    NH2  ARG  26           NH2      ARG  26  -5.502   0.731 -13.585
  204    H    ARG  26           H        ARG  26  -1.976  -0.950  -8.395
  205    HA   ARG  26           HA       ARG  26  -0.221   0.920  -9.899
  206   1HB   ARG  26          2HB       ARG  26  -2.826   0.164 -10.523
  207   2HB   ARG  26          1HB       ARG  26  -2.977   1.762  -9.806
  208   1HG   ARG  26          2HG       ARG  26  -1.125   2.528 -11.351
  209   2HG   ARG  26          1HG       ARG  26  -1.268   0.972 -12.170
  210   1HD   ARG  26          2HD       ARG  26  -3.837   2.361 -11.751
  211   2HD   ARG  26          1HD       ARG  26  -2.722   3.205 -12.825
  212    HE   ARG  26           HE       ARG  26  -2.810   1.317 -14.338
  213   1HH1  ARG  26          2HH1      ARG  26  -3.023  -1.042 -12.702
  214   2HH1  ARG  26          1HH1      ARG  26  -4.699  -1.470 -12.772
  215   1HH2  ARG  26          1HH2      ARG  26  -5.723   1.653 -13.909
  216   2HH2  ARG  26          2HH2      ARG  26  -6.233   0.060 -13.457
  217    H    VAL  27           H        VAL  27   0.375   2.776  -8.799
  218    HA   VAL  27           HA       VAL  27  -0.940   3.266  -6.168
  219    HB   VAL  27           HB       VAL  27   1.173   4.586  -5.704
  220   1HG1  VAL  27          2HG1      VAL  27   0.647   2.087  -5.138
  221   2HG1  VAL  27          1HG1      VAL  27   1.876   1.743  -6.353
  222   3HG1  VAL  27          3HG1      VAL  27   2.289   2.690  -4.924
  223   1HG2  VAL  27          1HG2      VAL  27   1.734   4.721  -8.218
  224   2HG2  VAL  27          3HG2      VAL  27   3.066   4.376  -7.116
  225   3HG2  VAL  27          2HG2      VAL  27   2.328   3.070  -8.042
  226    H    ILE  28           H        ILE  28  -1.532   5.437  -5.612
  227    HA   ILE  28           HA       ILE  28  -1.918   7.206  -7.990
  228    HB   ILE  28           HB       ILE  28  -3.292   7.242  -5.278
  229   1HG1  ILE  28          2HG1      ILE  28  -4.421   6.486  -7.990
  230   2HG1  ILE  28          1HG1      ILE  28  -3.818   5.300  -6.833
  231   1HG2  ILE  28          2HG2      ILE  28  -3.607   8.915  -7.782
  232   2HG2  ILE  28          1HG2      ILE  28  -4.879   8.792  -6.567
  233   3HG2  ILE  28          3HG2      ILE  28  -3.311   9.473  -6.135
  234   1HD1  ILE  28          1HD1      ILE  28  -6.004   7.318  -6.241
  235   2HD1  ILE  28          3HD1      ILE  28  -6.288   5.632  -6.671
  236   3HD1  ILE  28          2HD1      ILE  28  -5.449   6.028  -5.172
  237    H    GLU  29           H        GLU  29  -1.237   9.384  -7.905
  238    HA   GLU  29           HA       GLU  29   1.069   9.926  -6.247
  239   1HB   GLU  29          2HB       GLU  29   0.902  12.224  -7.294
  240   2HB   GLU  29          1HB       GLU  29   1.039  10.898  -8.436
  241   1HG   GLU  29          2HG       GLU  29  -0.963  11.396  -9.359
  242   2HG   GLU  29          1HG       GLU  29  -1.745  11.420  -7.779
  243    H    SER  30           H        SER  30   1.166  12.137  -5.070
  244    HA   SER  30           HA       SER  30  -1.229  12.343  -3.296
  245   1HB   SER  30          2HB       SER  30   0.581  13.505  -1.791
  246   2HB   SER  30          1HB       SER  30   0.531  11.752  -1.887
  247    HG   SER  30           HG       SER  30   2.363  11.766  -2.958
  248    H    GLY  31           H        GLY  31  -1.526  14.580  -2.348
  249   1HA   GLY  31          2HA       GLY  31  -0.464  16.899  -3.710
  250   2HA   GLY  31          1HA       GLY  31  -2.080  16.515  -4.291
  251    HA   PRO  32           HA       PRO  32  -2.726  19.079  -0.526
  252   1HB   PRO  32          2HB       PRO  32  -4.788  20.534  -1.639
  253   2HB   PRO  32          1HB       PRO  32  -3.082  20.999  -1.760
  254   1HG   PRO  32          2HG       PRO  32  -4.851  19.771  -3.835
  255   2HG   PRO  32          1HG       PRO  32  -3.462  20.851  -4.040
  256   1HD   PRO  32          2HD       PRO  32  -3.411  18.073  -4.442
  257   2HD   PRO  32          1HD       PRO  32  -1.980  19.096  -4.190
  258    H    HIS  33           H        HIS  33  -4.972  17.505  -2.740
  259    HA   HIS  33           HA       HIS  33  -7.234  17.184  -1.057
  260   1HB   HIS  33          2HB       HIS  33  -7.793  15.256  -2.549
  261   2HB   HIS  33          1HB       HIS  33  -7.317  16.684  -3.467
  262    HD1  HIS  33           HD1      HIS  33  -4.828  16.672  -4.461
  263    HD2  HIS  33           HD2      HIS  33  -6.113  13.026  -2.902
  264    HE1  HIS  33           HE1      HIS  33  -3.129  14.950  -5.194
  265    H    CYS  34           H        CYS  34  -4.269  15.276  -1.374
  266    HA   CYS  34           HA       CYS  34  -4.721  14.082   1.243
  267   1HB   CYS  34          2HB       CYS  34  -5.630  12.654  -0.906
  268   2HB   CYS  34          1HB       CYS  34  -3.978  12.057  -0.775
  269    H    ALA  35           H        ALA  35  -2.799  14.773   2.109
  270    HA   ALA  35           HA       ALA  35  -0.383  15.157   0.629
  271   1HB   ALA  35          1HB       ALA  35  -0.758  14.715   3.603
  272   2HB   ALA  35          3HB       ALA  35   0.701  15.352   2.844
  273   3HB   ALA  35          2HB       ALA  35  -0.802  16.273   2.779
  274    H    ASN  36           H        ASN  36  -1.496  12.427   2.622
  275    HA   ASN  36           HA       ASN  36   0.959  10.914   2.294
  276   1HB   ASN  36          2HB       ASN  36  -1.776  10.365   3.392
  277   2HB   ASN  36          1HB       ASN  36  -0.727   9.002   3.014
  278   1HD2  ASN  36          2HD2      ASN  36   0.280  11.510   6.102
  279   2HD2  ASN  36          1HD2      ASN  36  -0.871  12.011   4.960
  280    H    THR  37           H        THR  37   1.433   9.346   0.765
  281    HA   THR  37           HA       THR  37  -0.049   9.388  -1.735
  282    HB   THR  37           HB       THR  37   1.984   7.272  -1.051
  283    HG1  THR  37           HG1      THR  37   2.512   9.994  -1.667
  284   1HG2  THR  37          1HG2      THR  37   1.193   8.837  -3.513
  285   2HG2  THR  37          3HG2      THR  37   2.662   7.864  -3.443
  286   3HG2  THR  37          2HG2      THR  37   1.086   7.096  -3.251
  287    H    GLU  38           H        GLU  38  -1.077   7.451  -2.720
  288    HA   GLU  38           HA       GLU  38  -2.069   5.515  -0.665
  289   1HB   GLU  38          2HB       GLU  38  -3.554   7.278  -2.500
  290   2HB   GLU  38          1HB       GLU  38  -4.065   5.593  -2.568
  291   1HG   GLU  38          2HG       GLU  38  -3.996   7.410  -0.147
  292   2HG   GLU  38          1HG       GLU  38  -5.402   6.632  -0.871
  293    H    ILE  39           H        ILE  39  -1.391   3.489  -1.169
  294    HA   ILE  39           HA       ILE  39  -0.619   2.907  -3.975
  295    HB   ILE  39           HB       ILE  39  -0.301   1.385  -1.371
  296   1HG1  ILE  39          2HG1      ILE  39   2.184   1.771  -2.498
  297   2HG1  ILE  39          1HG1      ILE  39   1.340   3.248  -2.958
  298   1HG2  ILE  39          2HG2      ILE  39   0.363   0.590  -4.211
  299   2HG2  ILE  39          1HG2      ILE  39   1.202  -0.109  -2.828
  300   3HG2  ILE  39          3HG2      ILE  39  -0.538  -0.327  -3.005
  301   1HD1  ILE  39          3HD1      ILE  39   1.064   2.288  -0.137
  302   2HD1  ILE  39          2HD1      ILE  39   2.577   3.057  -0.613
  303   3HD1  ILE  39          1HD1      ILE  39   1.056   3.936  -0.766
  304    H    ILE  40           H        ILE  40  -1.496   0.956  -5.040
  305    HA   ILE  40           HA       ILE  40  -3.972  -0.180  -3.887
  306    HB   ILE  40           HB       ILE  40  -3.993   1.050  -6.661
  307   1HG1  ILE  40          2HG1      ILE  40  -5.448   2.065  -4.204
  308   2HG1  ILE  40          1HG1      ILE  40  -3.904   2.726  -4.737
  309   1HG2  ILE  40          1HG2      ILE  40  -6.099  -0.245  -4.908
  310   2HG2  ILE  40          3HG2      ILE  40  -6.468   0.638  -6.391
  311   3HG2  ILE  40          2HG2      ILE  40  -5.495  -0.832  -6.457
  312   1HD1  ILE  40          1HD1      ILE  40  -6.286   2.526  -6.585
  313   2HD1  ILE  40          3HD1      ILE  40  -5.999   3.939  -5.572
  314   3HD1  ILE  40          2HD1      ILE  40  -4.820   3.481  -6.802
  315    H    VAL  41           H        VAL  41  -4.199  -2.300  -4.500
  316    HA   VAL  41           HA       VAL  41  -2.642  -3.304  -6.801
  317    HB   VAL  41           HB       VAL  41  -1.948  -5.233  -5.376
  318   1HG1  VAL  41          1HG1      VAL  41  -0.510  -3.192  -5.860
  319   2HG1  VAL  41          3HG1      VAL  41  -0.948  -2.623  -4.249
  320   3HG1  VAL  41          2HG1      VAL  41  -0.052  -4.129  -4.438
  321   1HG2  VAL  41          1HG2      VAL  41  -3.794  -4.473  -3.607
  322   2HG2  VAL  41          3HG2      VAL  41  -2.349  -5.353  -3.111
  323   3HG2  VAL  41          2HG2      VAL  41  -2.417  -3.600  -2.932
  324    H    LYS  42           H        LYS  42  -3.354  -5.600  -7.309
  325    HA   LYS  42           HA       LYS  42  -6.148  -6.139  -6.424
  326   1HB   LYS  42          2HB       LYS  42  -5.223  -5.453  -9.107
  327   2HB   LYS  42          1HB       LYS  42  -6.017  -7.028  -9.078
  328   1HG   LYS  42          2HG       LYS  42  -7.848  -5.835  -7.670
  329   2HG   LYS  42          1HG       LYS  42  -7.137  -4.343  -8.290
  330   1HD   LYS  42          2HD       LYS  42  -7.613  -4.923 -10.544
  331   2HD   LYS  42          1HD       LYS  42  -7.923  -6.609 -10.128
  332   1HE   LYS  42          2HE       LYS  42 -10.105  -5.892 -10.248
  333   2HE   LYS  42          1HE       LYS  42  -9.786  -5.457  -8.569
  334   1HZ   LYS  42          2HZ       LYS  42  -9.118  -3.232  -9.370
  335   2HZ   LYS  42          1HZ       LYS  42  -9.610  -3.673 -10.937
  336   3HZ   LYS  42          3HZ       LYS  42 -10.748  -3.592  -9.682
  337    H    LEU  43           H        LEU  43  -5.643  -7.931  -5.181
  338    HA   LEU  43           HA       LEU  43  -3.643  -9.858  -5.705
  339   1HB   LEU  43          2HB       LEU  43  -6.235  -9.989  -4.176
  340   2HB   LEU  43          1HB       LEU  43  -5.148 -11.358  -4.264
  341    HG   LEU  43           HG       LEU  43  -4.290  -8.604  -3.338
  342   1HD1  LEU  43          1HD1      LEU  43  -5.959  -9.560  -1.789
  343   2HD1  LEU  43          3HD1      LEU  43  -5.016 -11.049  -1.692
  344   3HD1  LEU  43          2HD1      LEU  43  -4.354  -9.542  -1.057
  345   1HD2  LEU  43          1HD2      LEU  43  -2.993 -11.329  -3.456
  346   2HD2  LEU  43          3HD2      LEU  43  -2.372  -9.789  -4.048
  347   3HD2  LEU  43          2HD2      LEU  43  -2.433 -10.108  -2.315
  348    H    SER  44           H        SER  44  -3.650 -11.806  -6.785
  349    HA   SER  44           HA       SER  44  -5.175 -12.122  -9.131
  350   1HB   SER  44          2HB       SER  44  -2.955 -13.261  -8.440
  351   2HB   SER  44          1HB       SER  44  -3.978 -14.464  -7.661
  352    HG   SER  44           HG       SER  44  -4.573 -15.184  -9.561
  353    H    ASP  45           H        ASP  45  -5.887 -13.108  -5.843
  354    HA   ASP  45           HA       ASP  45  -7.874 -15.073  -6.408
  355   1HB   ASP  45          2HB       ASP  45  -7.629 -13.202  -4.034
  356   2HB   ASP  45          1HB       ASP  45  -8.648 -14.638  -4.093
  357    H    GLY  46           H        GLY  46  -7.863 -11.685  -6.904
  358   1HA   GLY  46          2HA       GLY  46  -9.642 -10.592  -8.138
  359   2HA   GLY  46          1HA       GLY  46 -10.791 -11.719  -7.415
  360    NH1  ARG  47           NH1      ARG  47 -12.014  -8.797   0.643
  361    NH2  ARG  47           NH2      ARG  47 -11.092 -10.206   2.162
  362    H    ARG  47           H        ARG  47  -8.241 -10.084  -5.584
  363    HA   ARG  47           HA       ARG  47 -10.397  -8.669  -4.061
  364   1HB   ARG  47          2HB       ARG  47  -8.826 -10.454  -2.992
  365   2HB   ARG  47          1HB       ARG  47  -7.609  -9.180  -3.050
  366   1HG   ARG  47          2HG       ARG  47  -8.607  -7.980  -1.392
  367   2HG   ARG  47          1HG       ARG  47 -10.232  -8.341  -1.977
  368   1HD   ARG  47          2HD       ARG  47 -10.187 -10.530  -0.970
  369   2HD   ARG  47          1HD       ARG  47  -8.479 -10.364  -0.564
  370    HE   ARG  47           HE       ARG  47  -9.139  -8.616   1.078
  371   1HH1  ARG  47          2HH1      ARG  47 -11.914  -8.179  -0.137
  372   2HH1  ARG  47          1HH1      ARG  47 -12.917  -8.954   1.043
  373   1HH2  ARG  47          1HH2      ARG  47 -10.289 -10.664   2.543
  374   2HH2  ARG  47          2HH2      ARG  47 -11.995 -10.365   2.564
  375    H    GLU  48           H        GLU  48  -9.703  -6.561  -3.098
  376    HA   GLU  48           HA       GLU  48  -7.651  -5.129  -4.729
  377   1HB   GLU  48          2HB       GLU  48 -10.533  -4.609  -4.549
  378   2HB   GLU  48          1HB       GLU  48  -9.561  -3.201  -4.119
  379   1HG   GLU  48          2HG       GLU  48  -8.209  -3.690  -6.250
  380   2HG   GLU  48          1HG       GLU  48  -9.525  -4.774  -6.699
  381    H    LEU  49           H        LEU  49  -6.123  -4.461  -3.292
  382    HA   LEU  49           HA       LEU  49  -7.047  -3.531  -0.594
  383   1HB   LEU  49          2HB       LEU  49  -5.134  -5.632  -1.309
  384   2HB   LEU  49          1HB       LEU  49  -4.446  -4.421  -0.228
  385    HG   LEU  49           HG       LEU  49  -6.680  -4.726   1.108
  386   1HD1  LEU  49          3HD1      LEU  49  -6.577  -7.133  -0.699
  387   2HD1  LEU  49          2HD1      LEU  49  -7.291  -7.254   0.909
  388   3HD1  LEU  49          1HD1      LEU  49  -7.965  -6.131  -0.272
  389   1HD2  LEU  49          2HD2      LEU  49  -4.230  -5.463   1.629
  390   2HD2  LEU  49          1HD2      LEU  49  -5.544  -6.207   2.540
  391   3HD2  LEU  49          3HD2      LEU  49  -4.796  -7.076   1.199
  392    H    CYS  50           H        CYS  50  -6.433  -1.455  -0.199
  393    HA   CYS  50           HA       CYS  50  -4.389  -0.193  -1.914
  394   1HB   CYS  50          2HB       CYS  50  -5.383   1.385   0.316
  395   2HB   CYS  50          1HB       CYS  50  -5.329   1.784  -1.383
  396    H    LEU  51           H        LEU  51  -2.290   0.128  -1.171
  397    HA   LEU  51           HA       LEU  51  -1.688  -0.974   1.478
  398   1HB   LEU  51          2HB       LEU  51   0.237  -0.015  -0.624
  399   2HB   LEU  51          1HB       LEU  51   0.605  -0.986   0.779
  400    HG   LEU  51           HG       LEU  51  -0.826  -1.794  -1.732
  401   1HD1  LEU  51          1HD1      LEU  51   1.640  -2.186  -1.269
  402   2HD1  LEU  51          3HD1      LEU  51   1.139  -3.275   0.024
  403   3HD1  LEU  51          2HD1      LEU  51   0.707  -3.634  -1.647
  404   1HD2  LEU  51          1HD2      LEU  51  -1.181  -2.985   1.030
  405   2HD2  LEU  51          3HD2      LEU  51  -2.436  -2.512  -0.115
  406   3HD2  LEU  51          2HD2      LEU  51  -1.438  -3.930  -0.434
  407    H    ASP  52           H        ASP  52  -0.364   0.066   2.964
  408    HA   ASP  52           HA       ASP  52  -0.717   3.014   3.040
  409   1HB   ASP  52          2HB       ASP  52  -1.471   1.305   4.900
  410   2HB   ASP  52          1HB       ASP  52   0.230   1.333   5.351
  411    HA   PRO  53           HA       PRO  53   3.648   3.147   2.076
  412   1HB   PRO  53          2HB       PRO  53   3.810   5.898   2.080
  413   2HB   PRO  53          1HB       PRO  53   3.231   4.935   0.711
  414   1HG   PRO  53          2HG       PRO  53   1.655   6.532   2.690
  415   2HG   PRO  53          1HG       PRO  53   1.298   6.181   0.991
  416   1HD   PRO  53          2HD       PRO  53   0.104   4.887   3.159
  417   2HD   PRO  53          1HD       PRO  53   0.171   4.240   1.505
  418    H    LYS  54           H        LYS  54   2.112   4.035   4.997
  419    HA   LYS  54           HA       LYS  54   4.227   5.345   6.366
  420   1HB   LYS  54          2HB       LYS  54   1.675   4.137   7.063
  421   2HB   LYS  54          1HB       LYS  54   2.899   3.801   8.286
  422   1HG   LYS  54          2HG       LYS  54   3.395   6.161   8.528
  423   2HG   LYS  54          1HG       LYS  54   2.333   6.565   7.178
  424   1HD   LYS  54          2HD       LYS  54   0.441   5.494   8.520
  425   2HD   LYS  54          1HD       LYS  54   1.548   5.485   9.893
  426   1HE   LYS  54          2HE       LYS  54   1.194   8.038   8.365
  427   2HE   LYS  54          1HE       LYS  54  -0.077   7.543   9.483
  428   1HZ   LYS  54          3HZ       LYS  54   1.580   7.368  11.234
  429   2HZ   LYS  54          2HZ       LYS  54   2.803   7.847  10.155
  430   3HZ   LYS  54          1HZ       LYS  54   1.565   8.933  10.577
  431    H    GLU  55           H        GLU  55   3.651   1.945   5.593
  432    HA   GLU  55           HA       GLU  55   5.757   1.020   7.415
  433   1HB   GLU  55          2HB       GLU  55   4.172  -0.384   5.253
  434   2HB   GLU  55          1HB       GLU  55   5.332  -1.173   6.302
  435   1HG   GLU  55          2HG       GLU  55   3.489  -1.564   7.585
  436   2HG   GLU  55          1HG       GLU  55   3.827   0.057   8.165
  437    H    ASN  56           H        ASN  56   7.564  -0.251   6.501
  438    HA   ASN  56           HA       ASN  56   8.756   1.141   4.183
  439   1HB   ASN  56          2HB       ASN  56   9.760  -0.066   6.565
  440   2HB   ASN  56          1HB       ASN  56  10.505  -0.831   5.167
  441   1HD2  ASN  56          2HD2      ASN  56  11.278   3.118   5.948
  442   2HD2  ASN  56          1HD2      ASN  56  10.003   2.335   6.750
  443    CH2  TRP  57           CH2      TRP  57   1.555  -4.297   2.374
  444    H    TRP  57           H        TRP  57   7.121  -1.781   4.944
  445    HA   TRP  57           HA       TRP  57   8.312  -3.344   2.828
  446   1HB   TRP  57          2HB       TRP  57   6.846  -5.078   3.497
  447   2HB   TRP  57          1HB       TRP  57   7.301  -4.270   4.969
  448    HD1  TRP  57           HD1      TRP  57   5.453  -3.301   6.392
  449    HE1  TRP  57           HE1      TRP  57   2.896  -3.230   6.220
  450    HE3  TRP  57           HE3      TRP  57   4.832  -4.770   1.558
  451    HZ2  TRP  57           HZ2      TRP  57   0.844  -3.660   4.303
  452    HZ3  TRP  57           HZ3      TRP  57   2.566  -4.907   0.577
  453    HH2  TRP  57           HH2      TRP  57   0.568  -4.362   1.940
  454    H    VAL  58           H        VAL  58   5.382  -1.413   3.277
  455    HA   VAL  58           HA       VAL  58   4.134  -2.153   0.789
  456    HB   VAL  58           HB       VAL  58   3.895   0.163   2.680
  457   1HG1  VAL  58          3HG1      VAL  58   2.831   0.038  -0.134
  458   2HG1  VAL  58          2HG1      VAL  58   1.956   0.914   1.121
  459   3HG1  VAL  58          1HG1      VAL  58   3.599   1.392   0.696
  460   1HG2  VAL  58          3HG2      VAL  58   2.188  -2.106   1.730
  461   2HG2  VAL  58          2HG2      VAL  58   2.592  -1.632   3.378
  462   3HG2  VAL  58          1HG2      VAL  58   1.436  -0.685   2.449
  463    H    GLN  59           H        GLN  59   6.386   0.481   1.651
  464    HA   GLN  59           HA       GLN  59   6.463   1.519  -1.049
  465   1HB   GLN  59          2HB       GLN  59   8.118   3.045  -0.236
  466   2HB   GLN  59          1HB       GLN  59   6.896   2.880   1.021
  467   1HG   GLN  59          2HG       GLN  59   8.317   1.118   2.072
  468   2HG   GLN  59          1HG       GLN  59   9.569   1.489   0.893
  469   1HE2  GLN  59          2HE2      GLN  59  10.555   4.513   2.485
  470   2HE2  GLN  59          1HE2      GLN  59  10.704   3.549   1.097
  471    NH1  ARG  60           NH2      ARG  60  12.055  -5.302   0.924
  472    NH2  ARG  60           NH1      ARG  60  12.797  -5.195   3.063
  473    H    ARG  60           H        ARG  60   8.198  -0.964   0.679
  474    HA   ARG  60           HA       ARG  60  10.386  -1.052  -1.294
  475   1HB   ARG  60          2HB       ARG  60   9.684  -2.534   1.214
  476   2HB   ARG  60          1HB       ARG  60  10.704  -3.351   0.034
  477   1HG   ARG  60          2HG       ARG  60  12.322  -1.543   0.091
  478   2HG   ARG  60          1HG       ARG  60  11.270  -0.583   1.134
  479   1HD   ARG  60          2HD       ARG  60  12.789  -1.546   2.653
  480   2HD   ARG  60          1HD       ARG  60  11.392  -2.617   2.754
  481    HE   ARG  60           HE       ARG  60  13.903  -3.246   1.260
  482   1HH1  ARG  60          1HH2      ARG  60  11.928  -4.876   0.028
  483   2HH1  ARG  60          2HH2      ARG  60  11.741  -6.240   1.079
  484   1HH2  ARG  60          2HH1      ARG  60  13.236  -4.687   3.803
  485   2HH2  ARG  60          1HH1      ARG  60  12.485  -6.134   3.219
  486    H    VAL  61           H        VAL  61   7.437  -2.832  -0.443
  487    HA   VAL  61           HA       VAL  61   7.760  -4.918  -2.404
  488    HB   VAL  61           HB       VAL  61   5.377  -3.831  -0.881
  489   1HG1  VAL  61          2HG1      VAL  61   5.497  -6.063  -2.916
  490   2HG1  VAL  61          1HG1      VAL  61   4.216  -5.933  -1.712
  491   3HG1  VAL  61          3HG1      VAL  61   4.426  -4.661  -2.916
  492   1HG2  VAL  61          3HG2      VAL  61   7.108  -5.131   0.354
  493   2HG2  VAL  61          2HG2      VAL  61   5.555  -5.966   0.310
  494   3HG2  VAL  61          1HG2      VAL  61   6.861  -6.477  -0.758
  495    H    VAL  62           H        VAL  62   6.137  -1.743  -2.447
  496    HA   VAL  62           HA       VAL  62   5.043  -2.096  -5.109
  497    HB   VAL  62           HB       VAL  62   4.219  -0.437  -3.357
  498   1HG1  VAL  62          2HG1      VAL  62   6.522   0.442  -2.828
  499   2HG1  VAL  62          1HG1      VAL  62   6.515   1.245  -4.399
  500   3HG1  VAL  62          3HG1      VAL  62   5.333   1.698  -3.171
  501   1HG2  VAL  62          2HG2      VAL  62   4.831   0.367  -6.206
  502   2HG2  VAL  62          1HG2      VAL  62   3.309  -0.225  -5.538
  503   3HG2  VAL  62          3HG2      VAL  62   3.878   1.395  -5.136
  504    H    GLU  63           H        GLU  63   8.055  -0.663  -3.841
  505    HA   GLU  63           HA       GLU  63   8.923   0.315  -6.403
  506   1HB   GLU  63          2HB       GLU  63   9.928   0.327  -3.692
  507   2HB   GLU  63          1HB       GLU  63  11.210  -0.121  -4.813
  508   1HG   GLU  63          2HG       GLU  63   9.500   2.128  -5.700
  509   2HG   GLU  63          1HG       GLU  63  10.495   2.457  -4.282
  510    H    LYS  64           H        LYS  64   9.405  -2.714  -4.621
  511    HA   LYS  64           HA       LYS  64  11.373  -3.750  -6.450
  512   1HB   LYS  64          2HB       LYS  64  10.798  -4.512  -4.009
  513   2HB   LYS  64          1HB       LYS  64   9.577  -5.509  -4.800
  514   1HG   LYS  64          2HG       LYS  64  11.351  -6.484  -6.250
  515   2HG   LYS  64          1HG       LYS  64  12.556  -5.539  -5.374
  516   1HD   LYS  64          2HD       LYS  64  12.347  -6.803  -3.439
  517   2HD   LYS  64          1HD       LYS  64  10.685  -7.274  -3.802
  518   1HE   LYS  64          2HE       LYS  64  12.841  -8.199  -5.659
  519   2HE   LYS  64          1HE       LYS  64  12.701  -8.996  -4.091
  520   1HZ   LYS  64          3HZ       LYS  64  10.505  -8.667  -6.068
  521   2HZ   LYS  64          2HZ       LYS  64  11.362 -10.103  -5.768
  522   3HZ   LYS  64          1HZ       LYS  64  10.372  -9.435  -4.560
  523    H    PHE  65           H        PHE  65   7.865  -3.761  -6.283
  524    HA   PHE  65           HA       PHE  65   7.422  -5.792  -8.296
  525   1HB   PHE  65          2HB       PHE  65   5.795  -4.863  -6.502
  526   2HB   PHE  65          1HB       PHE  65   5.515  -3.550  -7.636
  527    HD1  PHE  65           HD2      PHE  65   5.702  -7.312  -7.622
  528    HD2  PHE  65           HD1      PHE  65   3.800  -3.787  -9.173
  529    HE1  PHE  65           HE2      PHE  65   4.110  -8.727  -8.893
  530    HE2  PHE  65           HE1      PHE  65   2.208  -5.202 -10.444
  531    HZ   PHE  65           HZ       PHE  65   2.364  -7.672 -10.304
  532    H    LEU  66           H        LEU  66   7.315  -2.204  -8.368
  533    HA   LEU  66           HA       LEU  66   7.026  -2.222 -11.303
  534   1HB   LEU  66          2HB       LEU  66   6.392  -0.409  -9.244
  535   2HB   LEU  66          1HB       LEU  66   7.667   0.373 -10.174
  536    HG   LEU  66           HG       LEU  66   5.421   0.914 -11.068
  537   1HD1  LEU  66          1HD1      LEU  66   7.455   0.717 -12.558
  538   2HD1  LEU  66          3HD1      LEU  66   6.915  -0.911 -12.970
  539   3HD1  LEU  66          2HD1      LEU  66   5.916   0.481 -13.385
  540   1HD2  LEU  66          2HD2      LEU  66   4.522  -1.418 -10.374
  541   2HD2  LEU  66          1HD2      LEU  66   3.937  -0.732 -11.890
  542   3HD2  LEU  66          3HD2      LEU  66   5.186  -1.977 -11.909
  543    H    LYS  67           H        LYS  67   9.610  -1.930  -8.973
  544    HA   LYS  67           HA       LYS  67  11.926  -1.828  -9.267
  545   1HB   LYS  67          2HB       LYS  67  11.027  -3.108 -11.555
  546   2HB   LYS  67          1HB       LYS  67  11.965  -1.761 -12.199
  547   1HG   LYS  67          2HG       LYS  67  13.620  -3.379 -11.909
  548   2HG   LYS  67          1HG       LYS  67  13.729  -2.491 -10.389
  549   1HD   LYS  67          2HD       LYS  67  12.058  -4.191  -9.447
  550   2HD   LYS  67          1HD       LYS  67  12.370  -5.144 -10.898
  551   1HE   LYS  67          2HE       LYS  67  14.897  -4.781 -10.245
  552   2HE   LYS  67          1HE       LYS  67  14.234  -4.469  -8.641
  553   1HZ   LYS  67          3HZ       LYS  67  13.059  -6.615  -8.802
  554   2HZ   LYS  67          2HZ       LYS  67  13.844  -6.917 -10.278
  555   3HZ   LYS  67          1HZ       LYS  67  14.746  -6.784  -8.844
  556    NH1  ARG  68           NH1      ARG  68  11.564   1.055 -16.627
  557    NH2  ARG  68           NH2      ARG  68  10.997   3.177 -17.188
  558    H    ARG  68           H        ARG  68   9.931   0.583  -9.712
  559    HA   ARG  68           HA       ARG  68  12.081   2.524 -10.283
  560   1HB   ARG  68          2HB       ARG  68   9.583   2.245 -11.963
  561   2HB   ARG  68          1HB       ARG  68  10.473   3.761 -11.865
  562   1HG   ARG  68          2HG       ARG  68  12.549   2.201 -12.402
  563   2HG   ARG  68          1HG       ARG  68  11.303   1.156 -13.088
  564   1HD   ARG  68          2HD       ARG  68  11.107   4.027 -13.808
  565   2HD   ARG  68          1HD       ARG  68  12.495   3.165 -14.474
  566    HE   ARG  68           HE       ARG  68   9.703   2.155 -14.850
  567   1HH1  ARG  68          2HH1      ARG  68  11.611   0.322 -15.947
  568   2HH1  ARG  68          1HH1      ARG  68  11.905   0.899 -17.554
  569   1HH2  ARG  68          1HH2      ARG  68  10.610   4.066 -16.938
  570   2HH2  ARG  68          2HH2      ARG  68  11.338   3.025 -18.116
  571    H    ALA  69           H        ALA  69  11.056   4.844 -10.033
  572    HA   ALA  69           HA       ALA  69   8.670   5.131  -8.429
  573   1HB   ALA  69          3HB       ALA  69  11.288   4.764  -7.054
  574   2HB   ALA  69          2HB       ALA  69  10.241   6.042  -6.439
  575   3HB   ALA  69          1HB       ALA  69   9.662   4.378  -6.495
  576    H    GLU  70           H        GLU  70   8.310   7.406  -7.825
  577    HA   GLU  70           HA       GLU  70  10.185   9.315  -9.167
  578   1HB   GLU  70          2HB       GLU  70   8.280  10.598  -9.995
  579   2HB   GLU  70          1HB       GLU  70   8.150   8.934 -10.559
  580   1HG   GLU  70          2HG       GLU  70   6.027   9.063  -9.743
  581   2HG   GLU  70          1HG       GLU  70   6.799   8.782  -8.183
  582    H    ASN  71           H        ASN  71   9.596  11.669  -8.412
  583    HA   ASN  71           HA       ASN  71   9.002  11.597  -5.476
  584   1HB   ASN  71          2HB       ASN  71  11.152  12.991  -7.034
  585   2HB   ASN  71          1HB       ASN  71  10.518  13.770  -5.584
  586   1HD2  ASN  71          2HD2      ASN  71  12.541  11.764  -3.523
  587   2HD2  ASN  71          1HD2      ASN  71  11.804  13.268  -3.802
  588    H    SER  72           H        SER  72   7.822  13.406  -4.642
  589    HA   SER  72           HA       SER  72   6.510  15.105  -6.732
  590   1HB   SER  72          2HB       SER  72   5.364  13.430  -4.592
  591   2HB   SER  72          1HB       SER  72   4.714  15.065  -4.650
  592    HG   SER  72           HG       SER  72   4.634  13.015  -6.563
  593   1HC   CH3  25          1H        LEU  25  -0.071  -4.104 -11.896
  594   2HC   CH3  25          2H        LEU  25  -0.654  -2.475 -11.556
  595   3HC   CH3  25          3H        LEU  25   0.926  -2.989 -10.966
   
  Start of MODEL          27
 Raw file had  595 H/Q atoms
  Start of MODEL   27
    1   1H    GLU   4          2H        GLU   4 -12.711  16.412 -10.551
    2   2H    GLU   4          1H        GLU   4 -14.263  15.887 -10.095
    3   3H    GLU   4          3H        GLU   4 -13.922  17.545 -10.182
    4    HA   GLU   4           HA       GLU   4 -12.435  17.428  -8.334
    5   1HB   GLU   4          2HB       GLU   4 -15.054  17.404  -8.081
    6   2HB   GLU   4          1HB       GLU   4 -14.789  15.776  -7.457
    7   1HG   GLU   4          2HG       GLU   4 -13.411  16.571  -5.679
    8   2HG   GLU   4          1HG       GLU   4 -13.260  18.167  -6.412
    9    H    LEU   5           H        LEU   5 -11.128  16.182  -6.939
   10    HA   LEU   5           HA       LEU   5 -11.211  13.219  -7.301
   11   1HB   LEU   5          2HB       LEU   5  -9.349  14.659  -8.600
   12   2HB   LEU   5          1HB       LEU   5  -8.539  14.519  -7.041
   13    HG   LEU   5           HG       LEU   5  -9.762  12.022  -8.077
   14   1HD1  LEU   5          3HD1      LEU   5  -7.442  13.415  -9.425
   15   2HD1  LEU   5          2HD1      LEU   5  -7.656  11.666  -9.501
   16   3HD1  LEU   5          1HD1      LEU   5  -8.886  12.736 -10.173
   17   1HD2  LEU   5          1HD2      LEU   5  -8.437  12.136  -5.988
   18   2HD2  LEU   5          3HD2      LEU   5  -7.663  11.087  -7.175
   19   3HD2  LEU   5          2HD2      LEU   5  -7.047  12.717  -6.904
   20    NH1  ARG   6           NH1      ARG   6 -16.119  12.325  -0.658
   21    NH2  ARG   6           NH2      ARG   6 -15.914  14.282   0.471
   22    H    ARG   6           H        ARG   6 -10.917  12.095  -5.404
   23    HA   ARG   6           HA       ARG   6  -9.957  13.602  -3.009
   24   1HB   ARG   6          2HB       ARG   6 -12.556  12.278  -3.481
   25   2HB   ARG   6          1HB       ARG   6 -11.783  11.844  -1.961
   26   1HG   ARG   6          2HG       ARG   6 -11.380  14.480  -1.833
   27   2HG   ARG   6          1HG       ARG   6 -12.799  14.499  -2.881
   28   1HD   ARG   6          2HD       ARG   6 -13.007  12.686  -0.555
   29   2HD   ARG   6          1HD       ARG   6 -12.914  14.399  -0.150
   30    HE   ARG   6           HE       ARG   6 -14.817  14.252  -2.190
   31   1HH1  ARG   6          2HH1      ARG   6 -15.834  11.720  -1.402
   32   2HH1  ARG   6          1HH1      ARG   6 -16.847  12.038  -0.034
   33   1HH2  ARG   6          1HH2      ARG   6 -15.471  15.170   0.589
   34   2HH2  ARG   6          2HH2      ARG   6 -16.642  13.999   1.097
   35    H    CYS   7           H        CYS   7  -9.978  11.584  -1.154
   36    HA   CYS   7           HA       CYS   7  -7.763   9.909  -2.003
   37   1HB   CYS   7          2HB       CYS   7  -9.438   9.691   0.516
   38   2HB   CYS   7          1HB       CYS   7  -7.827   9.041   0.259
   39    H    GLN   8           H        GLN   8  -8.136   8.199  -3.333
   40    HA   GLN   8           HA       GLN   8 -10.686   6.897  -3.618
   41   1HB   GLN   8          2HB       GLN   8  -8.841   6.936  -5.346
   42   2HB   GLN   8          1HB       GLN   8  -7.971   5.764  -4.355
   43   1HG   GLN   8          2HG       GLN   8  -9.764   4.149  -4.578
   44   2HG   GLN   8          1HG       GLN   8 -10.788   5.331  -5.391
   45   1HE2  GLN   8          2HE2      GLN   8  -9.592   4.075  -8.466
   46   2HE2  GLN   8          1HE2      GLN   8 -10.938   4.406  -7.487
   47    H    CYS   9           H        CYS   9  -8.033   6.423  -1.383
   48    HA   CYS   9           HA       CYS   9  -9.457   4.030  -0.297
   49   1HB   CYS   9          2HB       CYS   9  -6.592   4.433  -0.986
   50   2HB   CYS   9          1HB       CYS   9  -6.935   3.572   0.509
   51    H    ILE  10           H        ILE  10 -10.379   4.735   1.547
   52    HA   ILE  10           HA       ILE  10  -9.260   6.907   3.143
   53    HB   ILE  10           HB       ILE  10 -11.478   4.949   3.845
   54   1HG1  ILE  10          2HG1      ILE  10 -12.571   7.448   3.197
   55   2HG1  ILE  10          1HG1      ILE  10 -11.357   7.165   1.950
   56   1HG2  ILE  10          3HG2      ILE  10 -10.488   6.236   5.752
   57   2HG2  ILE  10          2HG2      ILE  10 -10.896   7.730   4.908
   58   3HG2  ILE  10          1HG2      ILE  10 -12.176   6.644   5.445
   59   1HD1  ILE  10          2HD1      ILE  10 -13.021   4.813   2.611
   60   2HD1  ILE  10          1HD1      ILE  10 -13.894   6.153   1.869
   61   3HD1  ILE  10          3HD1      ILE  10 -12.517   5.431   1.038
   62    H    LYS  11           H        LYS  11  -9.160   3.391   3.192
   63    HA   LYS  11           HA       LYS  11  -7.440   3.523   5.643
   64   1HB   LYS  11          2HB       LYS  11  -8.174   1.237   6.162
   65   2HB   LYS  11          1HB       LYS  11  -9.570   2.304   6.023
   66   1HG   LYS  11          2HG       LYS  11 -10.418   0.863   4.509
   67   2HG   LYS  11          1HG       LYS  11  -9.126   1.350   3.415
   68   1HD   LYS  11          2HD       LYS  11  -8.796  -0.957   3.524
   69   2HD   LYS  11          1HD       LYS  11  -7.694  -0.383   4.777
   70   1HE   LYS  11          2HE       LYS  11  -9.535  -0.736   6.459
   71   2HE   LYS  11          1HE       LYS  11 -10.490  -1.485   5.178
   72   1HZ   LYS  11          1HZ       LYS  11  -7.785  -2.395   5.999
   73   2HZ   LYS  11          3HZ       LYS  11  -9.232  -3.089   6.547
   74   3HZ   LYS  11          2HZ       LYS  11  -8.830  -3.161   4.898
   75    H    THR  12           H        THR  12  -5.821   1.606   5.681
   76    HA   THR  12           HA       THR  12  -4.961   0.868   2.929
   77    HB   THR  12           HB       THR  12  -2.545   1.258   4.151
   78    HG1  THR  12           HG1      THR  12  -3.039   2.463   5.824
   79   1HG2  THR  12          3HG2      THR  12  -3.221   1.889   1.875
   80   2HG2  THR  12          2HG2      THR  12  -4.136   3.248   2.526
   81   3HG2  THR  12          1HG2      THR  12  -2.379   3.210   2.687
   82    OH   TYR  13           OH       TYR  13  -2.947  -8.692   4.543
   83    H    TYR  13           H        TYR  13  -2.645  -0.455   3.523
   84    HA   TYR  13           HA       TYR  13  -3.632  -2.725   5.182
   85   1HB   TYR  13          2HB       TYR  13  -3.220  -2.890   2.600
   86   2HB   TYR  13          1HB       TYR  13  -1.520  -2.939   3.053
   87    HD1  TYR  13           HD1      TYR  13  -4.004  -4.325   5.346
   88    HD2  TYR  13           HD2      TYR  13  -1.317  -5.181   2.111
   89    HE1  TYR  13           HE1      TYR  13  -4.181  -6.752   5.852
   90    HE2  TYR  13           HE2      TYR  13  -1.489  -7.616   2.613
   91    HH   TYR  13           HH       TYR  13  -3.663  -9.052   4.015
   92    H    SER  14           H        SER  14  -2.475  -3.160   6.980
   93    HA   SER  14           HA       SER  14   0.224  -1.942   7.291
   94   1HB   SER  14          2HB       SER  14  -1.746  -3.112   9.272
   95   2HB   SER  14          1HB       SER  14  -0.097  -2.677   9.714
   96    HG   SER  14           HG       SER  14  -1.118  -0.829  10.065
   97    H    LYS  15           H        LYS  15  -1.465  -5.051   7.278
   98    HA   LYS  15           HA       LYS  15   0.906  -6.580   7.986
   99   1HB   LYS  15          2HB       LYS  15  -1.183  -7.959   6.432
  100   2HB   LYS  15          1HB       LYS  15  -0.436  -8.417   7.942
  101   1HG   LYS  15          2HG       LYS  15  -1.808  -6.514   9.010
  102   2HG   LYS  15          1HG       LYS  15  -2.746  -6.529   7.517
  103   1HD   LYS  15          2HD       LYS  15  -3.031  -9.042   7.886
  104   2HD   LYS  15          1HD       LYS  15  -2.398  -8.774   9.511
  105   1HE   LYS  15          2HE       LYS  15  -4.207  -6.940   9.710
  106   2HE   LYS  15          1HE       LYS  15  -4.933  -7.683   8.286
  107   1HZ   LYS  15          3HZ       LYS  15  -4.912  -9.817   9.509
  108   2HZ   LYS  15          2HZ       LYS  15  -4.380  -8.988  10.895
  109   3HZ   LYS  15          1HZ       LYS  15  -5.902  -8.640  10.226
  110    HA   PRO  16           HA       PRO  16   2.616  -6.443   3.923
  111   1HB   PRO  16          2HB       PRO  16   4.682  -8.163   4.429
  112   2HB   PRO  16          1HB       PRO  16   4.643  -6.498   4.992
  113   1HG   PRO  16          2HG       PRO  16   4.302  -8.995   6.556
  114   2HG   PRO  16          1HG       PRO  16   4.777  -7.383   7.114
  115   1HD   PRO  16          2HD       PRO  16   2.180  -8.591   7.322
  116   2HD   PRO  16          1HD       PRO  16   2.626  -6.935   7.771
  117    H    PHE  17           H        PHE  17   3.020  -7.862   2.082
  118    HA   PHE  17           HA       PHE  17   2.383 -10.703   2.247
  119   1HB   PHE  17          2HB       PHE  17   0.347 -10.751   1.021
  120   2HB   PHE  17          1HB       PHE  17   0.113  -9.518   2.255
  121    HD1  PHE  17           HD1      PHE  17   0.629  -7.046   1.561
  122    HD2  PHE  17           HD2      PHE  17  -0.012 -10.247  -1.231
  123    HE1  PHE  17           HE1      PHE  17   0.105  -5.396  -0.216
  124    HE2  PHE  17           HE2      PHE  17  -0.532  -8.598  -3.004
  125    HZ   PHE  17           HZ       PHE  17  -0.477  -6.175  -2.496
  126    H    HIS  18           H        HIS  18   2.684 -11.793   0.144
  127    HA   HIS  18           HA       HIS  18   4.907 -10.705  -1.312
  128   1HB   HIS  18          2HB       HIS  18   4.790 -13.048  -1.066
  129   2HB   HIS  18          1HB       HIS  18   3.147 -13.106  -1.689
  130    HD1  HIS  18           HD1      HIS  18   6.724 -12.813  -2.799
  131    HD2  HIS  18           HD2      HIS  18   2.923 -12.853  -4.438
  132    HE1  HIS  18           HE1      HIS  18   7.017 -13.059  -5.315
  133    HA   PRO  19           HA       PRO  19   2.831  -8.133  -4.184
  134   1HB   PRO  19          2HB       PRO  19   4.950  -7.708  -5.862
  135   2HB   PRO  19          1HB       PRO  19   4.770  -6.951  -4.272
  136   1HG   PRO  19          2HG       PRO  19   6.552  -9.198  -5.092
  137   2HG   PRO  19          1HG       PRO  19   6.786  -7.991  -3.817
  138   1HD   PRO  19          2HD       PRO  19   5.948 -10.647  -3.419
  139   2HD   PRO  19          1HD       PRO  19   5.811  -9.337  -2.234
  140    H    LYS  20           H        LYS  20   4.722 -10.790  -5.738
  141    HA   LYS  20           HA       LYS  20   3.733 -10.506  -8.331
  142   1HB   LYS  20          2HB       LYS  20   5.419 -12.244  -7.403
  143   2HB   LYS  20          1HB       LYS  20   3.992 -13.255  -7.259
  144   1HG   LYS  20          2HG       LYS  20   3.480 -12.887  -9.649
  145   2HG   LYS  20          1HG       LYS  20   4.931 -11.895  -9.792
  146   1HD   LYS  20          2HD       LYS  20   6.121 -14.026  -8.783
  147   2HD   LYS  20          1HD       LYS  20   4.696 -14.861  -9.405
  148   1HE   LYS  20          2HE       LYS  20   6.041 -14.964 -11.282
  149   2HE   LYS  20          1HE       LYS  20   5.248 -13.419 -11.580
  150   1HZ   LYS  20          2HZ       LYS  20   7.808 -13.640 -10.102
  151   2HZ   LYS  20          1HZ       LYS  20   7.740 -13.443 -11.787
  152   3HZ   LYS  20          3HZ       LYS  20   7.101 -12.246 -10.770
  153    H    PHE  21           H        PHE  21   1.948 -11.677  -5.544
  154    HA   PHE  21           HA       PHE  21  -0.187 -13.008  -6.882
  155   1HB   PHE  21          2HB       PHE  21  -0.364 -11.337  -4.400
  156   2HB   PHE  21          1HB       PHE  21  -1.508 -12.555  -4.898
  157    HD1  PHE  21           HD1      PHE  21   0.793 -14.489  -5.913
  158    HD2  PHE  21           HD2      PHE  21   0.038 -12.391  -2.238
  159    HE1  PHE  21           HE1      PHE  21   2.088 -16.195  -4.665
  160    HE2  PHE  21           HE2      PHE  21   1.334 -14.097  -0.995
  161    HZ   PHE  21           HZ       PHE  21   2.358 -16.003  -2.211
  162    H    ILE  22           H        ILE  22   0.407  -9.622  -6.101
  163    HA   ILE  22           HA       ILE  22  -2.090  -8.519  -6.913
  164    HB   ILE  22           HB       ILE  22   0.698  -7.317  -6.921
  165   1HG1  ILE  22          2HG1      ILE  22   0.034  -7.988  -4.695
  166   2HG1  ILE  22          1HG1      ILE  22  -0.163  -6.240  -4.803
  167   1HG2  ILE  22          1HG2      ILE  22  -1.994  -6.190  -7.552
  168   2HG2  ILE  22          3HG2      ILE  22  -0.869  -5.184  -6.640
  169   3HG2  ILE  22          2HG2      ILE  22  -0.418  -5.786  -8.233
  170   1HD1  ILE  22          3HD1      ILE  22  -2.610  -6.729  -5.450
  171   2HD1  ILE  22          2HD1      ILE  22  -2.307  -8.369  -4.878
  172   3HD1  ILE  22          1HD1      ILE  22  -2.159  -7.007  -3.768
  173    H    LYS  23           H        LYS  23  -2.984  -8.488  -8.869
  174    HA   LYS  23           HA       LYS  23  -1.390  -9.070 -11.274
  175   1HB   LYS  23          2HB       LYS  23  -3.777  -9.936 -10.761
  176   2HB   LYS  23          1HB       LYS  23  -4.316  -8.318 -11.209
  177   1HG   LYS  23          2HG       LYS  23  -2.678  -8.857 -13.302
  178   2HG   LYS  23          1HG       LYS  23  -3.220 -10.489 -12.915
  179   1HD   LYS  23          2HD       LYS  23  -5.325  -8.390 -12.960
  180   2HD   LYS  23          1HD       LYS  23  -4.621  -8.819 -14.519
  181   1HE   LYS  23          2HE       LYS  23  -5.172 -11.156 -14.197
  182   2HE   LYS  23          1HE       LYS  23  -5.703 -10.848 -12.544
  183   1HZ   LYS  23          2HZ       LYS  23  -6.943  -9.677 -14.979
  184   2HZ   LYS  23          1HZ       LYS  23  -7.560 -11.001 -14.112
  185   3HZ   LYS  23          3HZ       LYS  23  -7.480  -9.474 -13.379
  186    H    GLU  24           H        GLU  24  -2.840  -6.307  -9.658
  187    HA   GLU  24           HA       GLU  24  -1.626  -4.530 -11.716
  188   1HB   GLU  24          2HB       GLU  24  -4.512  -4.469 -10.801
  189   2HB   GLU  24          1HB       GLU  24  -3.728  -3.083 -11.560
  190   1HG   GLU  24          2HG       GLU  24  -3.199  -4.459 -13.541
  191   2HG   GLU  24          1HG       GLU  24  -3.982  -5.848 -12.786
  192    HA   LEU  25           HA       LEU  25  -1.048  -2.557  -7.716
  193   1HB   LEU  25          2HB       LEU  25   0.909  -3.933  -7.514
  194   2HB   LEU  25          1HB       LEU  25   1.721  -3.084  -8.829
  195    HG   LEU  25           HG       LEU  25   0.843  -1.300  -6.661
  196   1HD1  LEU  25          1HD1      LEU  25   1.685  -3.668  -5.686
  197   2HD1  LEU  25          3HD1      LEU  25   3.244  -2.880  -5.923
  198   3HD1  LEU  25          2HD1      LEU  25   2.025  -2.130  -4.893
  199   1HD2  LEU  25          3HD2      LEU  25   2.948  -1.565  -8.638
  200   2HD2  LEU  25          2HD2      LEU  25   2.434  -0.129  -7.753
  201   3HD2  LEU  25          1HD2      LEU  25   3.637  -1.211  -7.054
  202    NH1  ARG  26           NH1      ARG  26  -1.207   5.698 -11.617
  203    NH2  ARG  26           NH2      ARG  26  -3.472   5.769 -11.716
  204    H    ARG  26           H        ARG  26  -1.881  -0.488  -8.027
  205    HA   ARG  26           HA       ARG  26  -0.088   1.397  -9.468
  206   1HB   ARG  26          2HB       ARG  26  -2.757   0.754 -10.058
  207   2HB   ARG  26          1HB       ARG  26  -2.777   2.370  -9.364
  208   1HG   ARG  26          2HG       ARG  26  -0.916   2.988 -10.950
  209   2HG   ARG  26          1HG       ARG  26  -1.148   1.423 -11.731
  210   1HD   ARG  26          2HD       ARG  26  -3.096   2.063 -12.729
  211   2HD   ARG  26          1HD       ARG  26  -3.620   2.999 -11.328
  212    HE   ARG  26           HE       ARG  26  -2.065   4.020 -13.595
  213   1HH1  ARG  26          2HH1      ARG  26  -0.344   5.238 -11.831
  214   2HH1  ARG  26          1HH1      ARG  26  -1.200   6.562 -11.112
  215   1HH2  ARG  26          1HH2      ARG  26  -4.339   5.363 -12.005
  216   2HH2  ARG  26          2HH2      ARG  26  -3.470   6.633 -11.211
  217    H    VAL  27           H        VAL  27   0.650   3.065  -8.210
  218    HA   VAL  27           HA       VAL  27  -0.659   3.507  -5.577
  219    HB   VAL  27           HB       VAL  27   1.484   4.697  -5.035
  220   1HG1  VAL  27          3HG1      VAL  27   1.019   2.208  -4.645
  221   2HG1  VAL  27          2HG1      VAL  27   2.028   1.912  -6.060
  222   3HG1  VAL  27          1HG1      VAL  27   2.712   2.701  -4.637
  223   1HG2  VAL  27          3HG2      VAL  27   1.977   5.136  -7.531
  224   2HG2  VAL  27          2HG2      VAL  27   3.337   4.666  -6.512
  225   3HG2  VAL  27          1HG2      VAL  27   2.576   3.477  -7.569
  226    H    ILE  28           H        ILE  28  -1.231   5.663  -4.923
  227    HA   ILE  28           HA       ILE  28  -1.494   7.568  -7.218
  228    HB   ILE  28           HB       ILE  28  -3.086   7.391  -4.635
  229   1HG1  ILE  28          2HG1      ILE  28  -3.823   6.797  -7.523
  230   2HG1  ILE  28          1HG1      ILE  28  -3.604   5.596  -6.251
  231   1HG2  ILE  28          1HG2      ILE  28  -3.393   9.226  -7.037
  232   2HG2  ILE  28          3HG2      ILE  28  -4.493   9.151  -5.660
  233   3HG2  ILE  28          2HG2      ILE  28  -2.838   9.718  -5.438
  234   1HD1  ILE  28          1HD1      ILE  28  -5.418   6.914  -4.962
  235   2HD1  ILE  28          3HD1      ILE  28  -5.777   7.674  -6.512
  236   3HD1  ILE  28          2HD1      ILE  28  -5.945   5.929  -6.326
  237    H    GLU  29           H        GLU  29  -0.483   9.529  -7.081
  238    HA   GLU  29           HA       GLU  29   1.482   9.990  -5.017
  239   1HB   GLU  29          2HB       GLU  29   0.450  11.550  -7.369
  240   2HB   GLU  29          1HB       GLU  29   1.502  12.333  -6.196
  241   1HG   GLU  29          2HG       GLU  29   3.270  10.773  -6.591
  242   2HG   GLU  29          1HG       GLU  29   2.206   9.697  -7.497
  243    H    SER  30           H        SER  30   1.464  12.443  -4.103
  244    HA   SER  30           HA       SER  30  -1.086  12.667  -2.583
  245   1HB   SER  30          2HB       SER  30   0.516  14.344  -1.260
  246   2HB   SER  30          1HB       SER  30   0.540  12.613  -0.954
  247    HG   SER  30           HG       SER  30   2.585  13.953  -1.530
  248    H    GLY  31           H        GLY  31  -1.921  14.838  -2.165
  249   1HA   GLY  31          2HA       GLY  31  -1.066  17.209  -3.468
  250   2HA   GLY  31          1HA       GLY  31  -2.218  16.411  -4.531
  251    HA   PRO  32           HA       PRO  32  -4.833  18.853  -1.659
  252   1HB   PRO  32          2HB       PRO  32  -6.641  19.556  -3.619
  253   2HB   PRO  32          1HB       PRO  32  -5.185  20.496  -3.245
  254   1HG   PRO  32          2HG       PRO  32  -5.704  18.667  -5.553
  255   2HG   PRO  32          1HG       PRO  32  -4.654  20.091  -5.463
  256   1HD   PRO  32          2HD       PRO  32  -3.769  17.427  -5.353
  257   2HD   PRO  32          1HD       PRO  32  -2.832  18.841  -4.825
  258    H    HIS  33           H        HIS  33  -5.625  16.542  -4.200
  259    HA   HIS  33           HA       HIS  33  -8.179  15.651  -3.310
  260   1HB   HIS  33          2HB       HIS  33  -7.658  13.585  -4.611
  261   2HB   HIS  33          1HB       HIS  33  -7.265  15.042  -5.522
  262    HD1  HIS  33           HD1      HIS  33  -4.683  15.695  -5.661
  263    HD2  HIS  33           HD2      HIS  33  -5.443  11.940  -4.016
  264    HE1  HIS  33           HE1      HIS  33  -2.449  14.526  -5.503
  265    H    CYS  34           H        CYS  34  -4.897  14.782  -2.331
  266    HA   CYS  34           HA       CYS  34  -5.793  13.727   0.190
  267   1HB   CYS  34          2HB       CYS  34  -5.952  11.866  -1.776
  268   2HB   CYS  34          1HB       CYS  34  -4.271  11.653  -1.290
  269    H    ALA  35           H        ALA  35  -4.265  14.727   1.419
  270    HA   ALA  35           HA       ALA  35  -1.670  15.490   0.475
  271   1HB   ALA  35          3HB       ALA  35  -2.890  15.284   3.227
  272   2HB   ALA  35          2HB       ALA  35  -1.215  15.784   2.996
  273   3HB   ALA  35          1HB       ALA  35  -2.525  16.738   2.297
  274    H    ASN  36           H        ASN  36  -2.793  12.613   2.210
  275    HA   ASN  36           HA       ASN  36  -0.030  11.637   2.544
  276   1HB   ASN  36          2HB       ASN  36  -2.749  10.717   3.424
  277   2HB   ASN  36          1HB       ASN  36  -1.419   9.562   3.390
  278   1HD2  ASN  36          2HD2      ASN  36  -1.628  12.185   6.424
  279   2HD2  ASN  36          1HD2      ASN  36  -2.894  11.957   5.315
  280    H    THR  37           H        THR  37   0.942  10.215   1.165
  281    HA   THR  37           HA       THR  37  -0.302   9.525  -1.364
  282    HB   THR  37           HB       THR  37   2.191   8.272  -0.171
  283    HG1  THR  37           HG1      THR  37   1.916  10.708  -1.606
  284   1HG2  THR  37          2HG2      THR  37   1.227   7.323  -2.289
  285   2HG2  THR  37          1HG2      THR  37   1.460   8.901  -3.042
  286   3HG2  THR  37          3HG2      THR  37   2.854   7.979  -2.479
  287    H    GLU  38           H        GLU  38  -1.362   7.602  -1.918
  288    HA   GLU  38           HA       GLU  38  -1.431   5.468   0.172
  289   1HB   GLU  38          2HB       GLU  38  -3.823   5.106  -0.911
  290   2HB   GLU  38          1HB       GLU  38  -3.595   6.263   0.392
  291   1HG   GLU  38          2HG       GLU  38  -3.675   8.105  -1.074
  292   2HG   GLU  38          1HG       GLU  38  -3.314   7.113  -2.487
  293    H    ILE  39           H        ILE  39  -0.845   3.498  -0.585
  294    HA   ILE  39           HA       ILE  39  -0.378   3.150  -3.473
  295    HB   ILE  39           HB       ILE  39   0.158   1.469  -1.008
  296   1HG1  ILE  39          2HG1      ILE  39   2.461   1.810  -2.573
  297   2HG1  ILE  39          1HG1      ILE  39   1.632   3.364  -2.656
  298   1HG2  ILE  39          1HG2      ILE  39   0.384   0.702  -3.922
  299   2HG2  ILE  39          3HG2      ILE  39   1.389  -0.054  -2.686
  300   3HG2  ILE  39          2HG2      ILE  39  -0.367  -0.203  -2.607
  301   1HD1  ILE  39          2HD1      ILE  39   1.693   2.156   0.037
  302   2HD1  ILE  39          1HD1      ILE  39   3.275   2.602  -0.603
  303   3HD1  ILE  39          3HD1      ILE  39   2.007   3.819  -0.460
  304    H    ILE  40           H        ILE  40  -1.368   1.298  -4.644
  305    HA   ILE  40           HA       ILE  40  -3.788   0.124  -3.403
  306    HB   ILE  40           HB       ILE  40  -3.932   1.541  -6.084
  307   1HG1  ILE  40          2HG1      ILE  40  -5.221   2.392  -3.474
  308   2HG1  ILE  40          1HG1      ILE  40  -3.698   3.064  -4.052
  309   1HG2  ILE  40          1HG2      ILE  40  -5.969   0.156  -4.315
  310   2HG2  ILE  40          3HG2      ILE  40  -6.400   1.154  -5.705
  311   3HG2  ILE  40          2HG2      ILE  40  -5.467  -0.325  -5.935
  312   1HD1  ILE  40          3HD1      ILE  40  -4.862   3.702  -6.186
  313   2HD1  ILE  40          2HD1      ILE  40  -6.380   3.181  -5.455
  314   3HD1  ILE  40          1HD1      ILE  40  -5.487   4.535  -4.762
  315    H    VAL  41           H        VAL  41  -3.989  -1.976  -4.024
  316    HA   VAL  41           HA       VAL  41  -2.617  -2.875  -6.494
  317    HB   VAL  41           HB       VAL  41  -1.919  -4.902  -5.212
  318   1HG1  VAL  41          3HG1      VAL  41  -0.432  -2.904  -5.644
  319   2HG1  VAL  41          2HG1      VAL  41  -0.823  -2.359  -4.013
  320   3HG1  VAL  41          1HG1      VAL  41   0.031  -3.884  -4.253
  321   1HG2  VAL  41          1HG2      VAL  41  -3.667  -4.283  -3.338
  322   2HG2  VAL  41          3HG2      VAL  41  -2.165  -5.102  -2.912
  323   3HG2  VAL  41          2HG2      VAL  41  -2.314  -3.360  -2.682
  324    H    LYS  42           H        LYS  42  -3.411  -5.112  -7.112
  325    HA   LYS  42           HA       LYS  42  -6.189  -5.646  -6.177
  326   1HB   LYS  42          2HB       LYS  42  -5.387  -4.694  -8.786
  327   2HB   LYS  42          1HB       LYS  42  -6.075  -6.312  -8.931
  328   1HG   LYS  42          2HG       LYS  42  -8.007  -5.034  -9.031
  329   2HG   LYS  42          1HG       LYS  42  -7.912  -5.327  -7.295
  330   1HD   LYS  42          2HD       LYS  42  -8.220  -3.017  -7.349
  331   2HD   LYS  42          1HD       LYS  42  -6.461  -3.128  -7.295
  332   1HE   LYS  42          2HE       LYS  42  -6.692  -1.686  -9.086
  333   2HE   LYS  42          1HE       LYS  42  -6.749  -3.224  -9.946
  334   1HZ   LYS  42          3HZ       LYS  42  -9.171  -3.156  -9.809
  335   2HZ   LYS  42          2HZ       LYS  42  -9.095  -1.651  -9.023
  336   3HZ   LYS  42          1HZ       LYS  42  -8.560  -1.801 -10.628
  337    H    LEU  43           H        LEU  43  -5.709  -7.554  -5.103
  338    HA   LEU  43           HA       LEU  43  -3.786  -9.485  -5.820
  339   1HB   LEU  43          2HB       LEU  43  -6.364  -9.669  -4.277
  340   2HB   LEU  43          1HB       LEU  43  -5.330 -11.065  -4.503
  341    HG   LEU  43           HG       LEU  43  -4.209  -8.469  -3.456
  342   1HD1  LEU  43          3HD1      LEU  43  -5.561 -10.684  -1.894
  343   2HD1  LEU  43          2HD1      LEU  43  -4.479  -9.499  -1.162
  344   3HD1  LEU  43          1HD1      LEU  43  -5.986  -8.973  -1.911
  345   1HD2  LEU  43          2HD2      LEU  43  -2.741 -10.373  -4.291
  346   2HD2  LEU  43          1HD2      LEU  43  -2.445  -9.877  -2.625
  347   3HD2  LEU  43          3HD2      LEU  43  -3.372 -11.340  -2.958
  348    H    SER  44           H        SER  44  -3.864 -11.358  -7.028
  349    HA   SER  44           HA       SER  44  -5.371 -11.424  -9.408
  350   1HB   SER  44          2HB       SER  44  -4.586 -13.834  -9.546
  351   2HB   SER  44          1HB       SER  44  -3.312 -12.641  -9.317
  352    HG   SER  44           HG       SER  44  -2.940 -13.416  -7.384
  353    H    ASP  45           H        ASP  45  -6.197 -12.625  -6.222
  354    HA   ASP  45           HA       ASP  45  -8.245 -14.452  -7.086
  355   1HB   ASP  45          2HB       ASP  45  -7.624 -13.133  -4.442
  356   2HB   ASP  45          1HB       ASP  45  -8.991 -14.229  -4.649
  357    H    GLY  46           H        GLY  46  -8.138 -11.133  -7.373
  358   1HA   GLY  46          2HA       GLY  46  -9.932  -9.783  -8.195
  359   2HA   GLY  46          1HA       GLY  46 -11.079 -10.965  -7.563
  360    NH1  ARG  47           NH1      ARG  47  -9.649 -12.018   0.749
  361    NH2  ARG  47           NH2      ARG  47 -11.650 -11.187   1.416
  362    H    ARG  47           H        ARG  47  -8.370  -9.608  -5.723
  363    HA   ARG  47           HA       ARG  47 -10.383  -8.403  -3.862
  364   1HB   ARG  47          2HB       ARG  47  -8.691 -10.295  -3.185
  365   2HB   ARG  47          1HB       ARG  47  -7.523  -8.980  -3.144
  366   1HG   ARG  47          2HG       ARG  47  -8.271  -8.878  -0.962
  367   2HG   ARG  47          1HG       ARG  47  -9.451  -7.806  -1.711
  368   1HD   ARG  47          2HD       ARG  47 -11.158  -9.353  -1.576
  369   2HD   ARG  47          1HD       ARG  47 -10.060 -10.729  -1.689
  370    HE   ARG  47           HE       ARG  47 -10.010  -9.104   0.800
  371   1HH1  ARG  47          2HH1      ARG  47  -8.773 -11.898   0.281
  372   2HH1  ARG  47          1HH1      ARG  47  -9.869 -12.896   1.176
  373   1HH2  ARG  47          1HH2      ARG  47 -12.304 -10.430   1.457
  374   2HH2  ARG  47          2HH2      ARG  47 -11.872 -12.063   1.844
  375    H    GLU  48           H        GLU  48  -9.722  -6.359  -2.816
  376    HA   GLU  48           HA       GLU  48  -7.730  -4.778  -4.386
  377   1HB   GLU  48          2HB       GLU  48 -10.193  -4.261  -4.946
  378   2HB   GLU  48          1HB       GLU  48 -10.306  -3.606  -3.312
  379   1HG   GLU  48          2HG       GLU  48  -8.239  -2.198  -3.909
  380   2HG   GLU  48          1HG       GLU  48  -8.554  -2.654  -5.583
  381    H    LEU  49           H        LEU  49  -6.149  -4.160  -2.978
  382    HA   LEU  49           HA       LEU  49  -6.975  -3.399  -0.202
  383   1HB   LEU  49          2HB       LEU  49  -5.252  -5.612  -0.998
  384   2HB   LEU  49          1HB       LEU  49  -4.402  -4.462   0.036
  385    HG   LEU  49           HG       LEU  49  -6.611  -4.581   1.474
  386   1HD1  LEU  49          1HD1      LEU  49  -7.369  -6.298  -0.506
  387   2HD1  LEU  49          3HD1      LEU  49  -6.687  -7.426   0.664
  388   3HD1  LEU  49          2HD1      LEU  49  -8.005  -6.354   1.138
  389   1HD2  LEU  49          3HD2      LEU  49  -4.209  -5.383   1.978
  390   2HD2  LEU  49          2HD2      LEU  49  -5.516  -6.143   2.885
  391   3HD2  LEU  49          1HD2      LEU  49  -4.781  -6.986   1.521
  392    H    CYS  50           H        CYS  50  -6.266  -1.378   0.234
  393    HA   CYS  50           HA       CYS  50  -4.200  -0.142  -1.463
  394   1HB   CYS  50          2HB       CYS  50  -5.049   1.350   0.884
  395   2HB   CYS  50          1HB       CYS  50  -5.022   1.844  -0.792
  396    H    LEU  51           H        LEU  51  -2.076   0.072  -0.796
  397    HA   LEU  51           HA       LEU  51  -1.400  -1.166   1.777
  398   1HB   LEU  51          2HB       LEU  51   0.432  -0.243  -0.423
  399   2HB   LEU  51          1HB       LEU  51   0.857  -1.252   0.939
  400    HG   LEU  51           HG       LEU  51  -0.735  -1.963  -1.498
  401   1HD1  LEU  51          1HD1      LEU  51   1.736  -2.519  -1.022
  402   2HD1  LEU  51          3HD1      LEU  51   1.115  -3.663   0.167
  403   3HD1  LEU  51          2HD1      LEU  51   0.695  -3.847  -1.535
  404   1HD2  LEU  51          2HD2      LEU  51  -1.113  -3.100   1.279
  405   2HD2  LEU  51          1HD2      LEU  51  -2.351  -2.597   0.129
  406   3HD2  LEU  51          3HD2      LEU  51  -1.426  -4.070  -0.158
  407    H    ASP  52           H        ASP  52   0.065  -0.231   3.220
  408    HA   ASP  52           HA       ASP  52  -0.135   2.734   3.357
  409   1HB   ASP  52          2HB       ASP  52  -0.859   0.969   5.228
  410   2HB   ASP  52          1HB       ASP  52   0.853   1.062   5.637
  411    HA   PRO  53           HA       PRO  53   4.200   2.649   2.260
  412   1HB   PRO  53          2HB       PRO  53   4.483   5.393   2.250
  413   2HB   PRO  53          1HB       PRO  53   3.833   4.453   0.896
  414   1HG   PRO  53          2HG       PRO  53   2.374   6.131   2.898
  415   2HG   PRO  53          1HG       PRO  53   1.959   5.777   1.212
  416   1HD   PRO  53          2HD       PRO  53   0.774   4.559   3.435
  417   2HD   PRO  53          1HD       PRO  53   0.751   3.902   1.785
  418    H    LYS  54           H        LYS  54   2.751   3.616   5.194
  419    HA   LYS  54           HA       LYS  54   4.928   4.827   6.550
  420   1HB   LYS  54          2HB       LYS  54   2.314   3.848   7.222
  421   2HB   LYS  54          1HB       LYS  54   3.470   3.247   8.408
  422   1HG   LYS  54          2HG       LYS  54   4.324   5.805   8.218
  423   2HG   LYS  54          1HG       LYS  54   2.618   6.039   7.838
  424   1HD   LYS  54          2HD       LYS  54   2.674   6.230  10.186
  425   2HD   LYS  54          1HD       LYS  54   2.174   4.558   9.930
  426   1HE   LYS  54          2HE       LYS  54   4.527   3.824  10.193
  427   2HE   LYS  54          1HE       LYS  54   5.006   5.497  10.483
  428   1HZ   LYS  54          3HZ       LYS  54   3.538   5.541  12.406
  429   2HZ   LYS  54          2HZ       LYS  54   3.094   3.925  12.126
  430   3HZ   LYS  54          1HZ       LYS  54   4.692   4.307  12.555
  431    H    GLU  55           H        GLU  55   4.235   1.455   5.750
  432    HA   GLU  55           HA       GLU  55   6.310   0.457   7.587
  433   1HB   GLU  55          2HB       GLU  55   4.408  -0.796   5.633
  434   2HB   GLU  55          1HB       GLU  55   5.793  -1.704   6.189
  435   1HG   GLU  55          2HG       GLU  55   4.548  -0.444   8.437
  436   2HG   GLU  55          1HG       GLU  55   3.335  -1.349   7.538
  437    H    ASN  56           H        ASN  56   7.949  -1.076   6.531
  438    HA   ASN  56           HA       ASN  56   9.261   0.367   4.300
  439   1HB   ASN  56          2HB       ASN  56  10.187  -0.978   6.624
  440   2HB   ASN  56          1HB       ASN  56  10.847  -1.786   5.209
  441   1HD2  ASN  56          2HD2      ASN  56  11.865   2.149   5.866
  442   2HD2  ASN  56          1HD2      ASN  56  10.435   1.544   6.553
  443    CH2  TRP  57           CH2      TRP  57   1.660  -4.495   2.455
  444    H    TRP  57           H        TRP  57   7.442  -2.481   4.925
  445    HA   TRP  57           HA       TRP  57   8.535  -4.028   2.749
  446   1HB   TRP  57          2HB       TRP  57   6.890  -5.660   3.310
  447   2HB   TRP  57          1HB       TRP  57   7.464  -4.999   4.811
  448    HD1  TRP  57           HD1      TRP  57   5.782  -3.810   6.312
  449    HE1  TRP  57           HE1      TRP  57   3.236  -3.528   6.247
  450    HE3  TRP  57           HE3      TRP  57   4.856  -5.226   1.515
  451    HZ2  TRP  57           HZ2      TRP  57   1.075  -3.800   4.409
  452    HZ3  TRP  57           HZ3      TRP  57   2.551  -5.182   0.626
  453    HH2  TRP  57           HH2      TRP  57   0.655  -4.483   2.056
  454    H    VAL  58           H        VAL  58   5.739  -1.921   3.239
  455    HA   VAL  58           HA       VAL  58   4.485  -2.470   0.702
  456    HB   VAL  58           HB       VAL  58   4.351  -0.252   2.719
  457   1HG1  VAL  58          1HG1      VAL  58   3.215  -0.178  -0.080
  458   2HG1  VAL  58          3HG1      VAL  58   2.528   0.767   1.242
  459   3HG1  VAL  58          2HG1      VAL  58   4.191   1.050   0.729
  460   1HG2  VAL  58          1HG2      VAL  58   2.542  -2.377   1.636
  461   2HG2  VAL  58          3HG2      VAL  58   2.948  -2.002   3.309
  462   3HG2  VAL  58          2HG2      VAL  58   1.852  -0.954   2.414
  463    H    GLN  59           H        GLN  59   6.865  -0.021   1.740
  464    HA   GLN  59           HA       GLN  59   7.047   1.198  -0.864
  465   1HB   GLN  59          2HB       GLN  59   8.930   2.428   0.061
  466   2HB   GLN  59          1HB       GLN  59   7.593   2.417   1.205
  467   1HG   GLN  59          2HG       GLN  59   8.639   0.461   2.328
  468   2HG   GLN  59          1HG       GLN  59  10.015   0.620   1.246
  469   1HE2  GLN  59          2HE2      GLN  59  11.515   3.081   3.268
  470   2HE2  GLN  59          1HE2      GLN  59  11.700   1.862   2.102
  471    NH1  ARG  60           NH2      ARG  60  15.784  -2.627   1.932
  472    NH2  ARG  60           NH1      ARG  60  16.107  -4.095   0.235
  473    H    ARG  60           H        ARG  60   8.720  -1.458   0.726
  474    HA   ARG  60           HA       ARG  60  10.816  -1.620  -1.316
  475   1HB   ARG  60          2HB       ARG  60   9.991  -3.285   1.053
  476   2HB   ARG  60          1HB       ARG  60  11.063  -3.976  -0.162
  477   1HG   ARG  60          2HG       ARG  60  11.721  -1.248   0.857
  478   2HG   ARG  60          1HG       ARG  60  12.014  -2.612   1.936
  479   1HD   ARG  60          2HD       ARG  60  12.935  -3.087  -0.816
  480   2HD   ARG  60          1HD       ARG  60  13.754  -1.741  -0.024
  481    HE   ARG  60           HE       ARG  60  13.575  -4.371   1.372
  482   1HH1  ARG  60          1HH2      ARG  60  15.166  -2.129   2.542
  483   2HH1  ARG  60          2HH2      ARG  60  16.774  -2.498   2.011
  484   1HH2  ARG  60          2HH1      ARG  60  15.736  -4.722  -0.452
  485   2HH2  ARG  60          1HH1      ARG  60  17.097  -3.969   0.313
  486    H    VAL  61           H        VAL  61   7.763  -3.258  -0.521
  487    HA   VAL  61           HA       VAL  61   7.849  -5.229  -2.599
  488    HB   VAL  61           HB       VAL  61   5.648  -3.932  -0.995
  489   1HG1  VAL  61          1HG1      VAL  61   5.395  -5.598  -3.451
  490   2HG1  VAL  61          3HG1      VAL  61   4.303  -5.948  -2.111
  491   3HG1  VAL  61          2HG1      VAL  61   4.328  -4.338  -2.831
  492   1HG2  VAL  61          2HG2      VAL  61   7.161  -5.667   0.000
  493   2HG2  VAL  61          1HG2      VAL  61   5.465  -6.150  -0.024
  494   3HG2  VAL  61          3HG2      VAL  61   6.586  -6.805  -1.216
  495    H    VAL  62           H        VAL  62   6.643  -1.888  -2.512
  496    HA   VAL  62           HA       VAL  62   5.497  -1.885  -5.146
  497    HB   VAL  62           HB       VAL  62   6.520   0.303  -3.321
  498   1HG1  VAL  62          2HG1      VAL  62   5.399   0.542  -6.123
  499   2HG1  VAL  62          1HG1      VAL  62   5.365   1.874  -4.967
  500   3HG1  VAL  62          3HG1      VAL  62   6.909   1.211  -5.502
  501   1HG2  VAL  62          1HG2      VAL  62   4.254  -1.104  -3.143
  502   2HG2  VAL  62          3HG2      VAL  62   4.296   0.620  -2.773
  503   3HG2  VAL  62          2HG2      VAL  62   3.720   0.070  -4.347
  504    H    GLU  63           H        GLU  63   8.767  -1.038  -3.949
  505    HA   GLU  63           HA       GLU  63   9.807  -0.217  -6.476
  506   1HB   GLU  63          2HB       GLU  63  10.899  -0.885  -3.824
  507   2HB   GLU  63          1HB       GLU  63  11.997  -1.231  -5.159
  508   1HG   GLU  63          2HG       GLU  63  10.548   1.413  -4.922
  509   2HG   GLU  63          1HG       GLU  63  12.114   1.133  -4.166
  510    H    LYS  64           H        LYS  64   9.911  -3.391  -4.815
  511    HA   LYS  64           HA       LYS  64  11.363  -4.762  -6.827
  512   1HB   LYS  64          2HB       LYS  64  10.590  -5.492  -4.404
  513   2HB   LYS  64          1HB       LYS  64   9.219  -6.171  -5.280
  514   1HG   LYS  64          2HG       LYS  64  11.876  -6.739  -6.460
  515   2HG   LYS  64          1HG       LYS  64  11.570  -7.496  -4.897
  516   1HD   LYS  64          2HD       LYS  64   9.420  -7.631  -6.977
  517   2HD   LYS  64          1HD       LYS  64  10.824  -8.684  -7.158
  518   1HE   LYS  64          2HE       LYS  64  10.465  -9.561  -4.880
  519   2HE   LYS  64          1HE       LYS  64   9.063  -8.508  -4.691
  520   1HZ   LYS  64          2HZ       LYS  64   8.027  -9.623  -6.576
  521   2HZ   LYS  64          1HZ       LYS  64   9.372 -10.651  -6.727
  522   3HZ   LYS  64          3HZ       LYS  64   8.396 -10.729  -5.341
  523    H    PHE  65           H        PHE  65   7.885  -4.135  -6.462
  524    HA   PHE  65           HA       PHE  65   7.109  -5.762  -8.741
  525   1HB   PHE  65          2HB       PHE  65   5.745  -4.898  -6.646
  526   2HB   PHE  65          1HB       PHE  65   5.446  -3.507  -7.678
  527    HD1  PHE  65           HD2      PHE  65   5.276  -7.253  -7.662
  528    HD2  PHE  65           HD1      PHE  65   3.750  -3.587  -9.300
  529    HE1  PHE  65           HE2      PHE  65   3.522  -8.520  -8.870
  530    HE2  PHE  65           HE1      PHE  65   1.996  -4.853 -10.507
  531    HZ   PHE  65           HZ       PHE  65   1.882  -7.321 -10.295
  532    H    LEU  66           H        LEU  66   7.548  -2.253  -8.182
  533    HA   LEU  66           HA       LEU  66   6.806  -1.419 -10.825
  534   1HB   LEU  66          2HB       LEU  66   8.380  -0.173  -8.588
  535   2HB   LEU  66          1HB       LEU  66   8.380   0.595 -10.174
  536    HG   LEU  66           HG       LEU  66   5.843  -0.178  -8.708
  537   1HD1  LEU  66          3HD1      LEU  66   7.293   1.560  -7.524
  538   2HD1  LEU  66          2HD1      LEU  66   7.038   2.594  -8.929
  539   3HD1  LEU  66          1HD1      LEU  66   5.663   2.084  -7.949
  540   1HD2  LEU  66          2HD2      LEU  66   5.815   0.124 -11.230
  541   2HD2  LEU  66          1HD2      LEU  66   4.751   1.217 -10.346
  542   3HD2  LEU  66          3HD2      LEU  66   6.297   1.799 -10.962
  543    H    LYS  67           H        LYS  67   9.969  -2.289  -9.407
  544    HA   LYS  67           HA       LYS  67  11.648  -1.560 -11.551
  545   1HB   LYS  67          2HB       LYS  67  12.199  -2.640  -9.219
  546   2HB   LYS  67          1HB       LYS  67  12.109  -4.159 -10.111
  547   1HG   LYS  67          2HG       LYS  67  14.169  -3.809 -10.946
  548   2HG   LYS  67          1HG       LYS  67  13.633  -2.290 -11.661
  549   1HD   LYS  67          2HD       LYS  67  13.960  -1.232  -9.368
  550   2HD   LYS  67          1HD       LYS  67  14.771  -2.726  -8.892
  551   1HE   LYS  67          2HE       LYS  67  16.088  -2.257 -11.191
  552   2HE   LYS  67          1HE       LYS  67  15.672  -0.595 -10.772
  553   1HZ   LYS  67          2HZ       LYS  67  17.059  -2.528  -8.990
  554   2HZ   LYS  67          1HZ       LYS  67  17.801  -1.251  -9.829
  555   3HZ   LYS  67          3HZ       LYS  67  16.676  -0.918  -8.604
  556    NH1  ARG  68           NH2      ARG  68  15.416  -8.369 -11.320
  557    NH2  ARG  68           NH1      ARG  68  16.803  -7.142 -12.629
  558    H    ARG  68           H        ARG  68  12.567  -2.849 -13.295
  559    HA   ARG  68           HA       ARG  68  12.478  -4.298 -15.124
  560   1HB   ARG  68          2HB       ARG  68  11.219  -5.844 -12.986
  561   2HB   ARG  68          1HB       ARG  68  10.568  -6.245 -14.568
  562   1HG   ARG  68          2HG       ARG  68  12.401  -7.659 -14.521
  563   2HG   ARG  68          1HG       ARG  68  13.134  -6.232 -15.254
  564   1HD   ARG  68          2HD       ARG  68  14.130  -5.556 -13.205
  565   2HD   ARG  68          1HD       ARG  68  13.122  -6.652 -12.262
  566    HE   ARG  68           HE       ARG  68  14.667  -8.211 -14.081
  567   1HH1  ARG  68          1HH2      ARG  68  14.525  -8.798 -11.163
  568   2HH1  ARG  68          2HH2      ARG  68  16.138  -8.452 -10.632
  569   1HH2  ARG  68          1HH1      ARG  68  17.526  -7.224 -11.943
  570   2HH2  ARG  68          2HH1      ARG  68  16.973  -6.633 -13.474
  571    H    ALA  69           H        ALA  69  10.467  -5.492 -16.480
  572    HA   ALA  69           HA       ALA  69   8.192  -3.570 -16.580
  573   1HB   ALA  69          2HB       ALA  69  10.169  -4.127 -18.785
  574   2HB   ALA  69          1HB       ALA  69   8.519  -3.635 -19.162
  575   3HB   ALA  69          3HB       ALA  69   9.560  -2.574 -18.214
  576    H    GLU  70           H        GLU  70   9.547  -6.438 -18.276
  577    HA   GLU  70           HA       GLU  70   6.874  -7.469 -18.840
  578   1HB   GLU  70          2HB       GLU  70   9.650  -8.637 -19.183
  579   2HB   GLU  70          1HB       GLU  70   8.179  -9.501 -19.630
  580   1HG   GLU  70          2HG       GLU  70   8.857  -6.738 -20.673
  581   2HG   GLU  70          1HG       GLU  70   9.276  -8.222 -21.527
  582    H    ASN  71           H        ASN  71   9.558  -8.448 -16.674
  583    HA   ASN  71           HA       ASN  71   9.523  -9.598 -14.639
  584   1HB   ASN  71          2HB       ASN  71   7.454  -8.117 -14.256
  585   2HB   ASN  71          1HB       ASN  71   6.499  -9.522 -14.721
  586   1HD2  ASN  71          2HD2      ASN  71   8.463  -9.523 -11.123
  587   2HD2  ASN  71          1HD2      ASN  71   8.842  -8.348 -12.287
  588    H    SER  72           H        SER  72   6.507 -10.844 -16.148
  589    HA   SER  72           HA       SER  72   7.648 -13.580 -15.924
  590   1HB   SER  72          2HB       SER  72   5.241 -14.229 -16.549
  591   2HB   SER  72          1HB       SER  72   5.471 -13.470 -14.978
  592    HG   SER  72           HG       SER  72   4.089 -12.603 -17.160
  593   1HC   CH3  25          1H        LEU  25   0.829  -2.460 -10.818
  594   2HC   CH3  25          2H        LEU  25  -0.271  -3.477 -11.742
  595   3HC   CH3  25          3H        LEU  25  -0.776  -1.863 -11.244
   
  Start of MODEL          28
 Raw file had  595 H/Q atoms
  Start of MODEL   28
    1   1H    GLU   4          3H        GLU   4 -10.315  15.517  -6.990
    2   2H    GLU   4          2H        GLU   4  -8.896  16.079  -6.245
    3   3H    GLU   4          1H        GLU   4  -9.629  16.989  -7.478
    4    HA   GLU   4           HA       GLU   4  -9.135  15.291  -9.103
    5   1HB   GLU   4          2HB       GLU   4  -6.866  16.312  -7.384
    6   2HB   GLU   4          1HB       GLU   4  -6.563  15.377  -8.849
    7   1HG   GLU   4          2HG       GLU   4  -8.271  17.118  -9.905
    8   2HG   GLU   4          1HG       GLU   4  -7.735  18.118  -8.556
    9    H    LEU   5           H        LEU   5 -10.303  13.464  -7.685
   10    HA   LEU   5           HA       LEU   5 -10.259  11.222  -7.046
   11   1HB   LEU   5          2HB       LEU   5  -8.541  11.270  -9.052
   12   2HB   LEU   5          1HB       LEU   5  -7.354  11.003  -7.773
   13    HG   LEU   5           HG       LEU   5  -9.764   9.300  -7.595
   14   1HD1  LEU   5          1HD1      LEU   5  -7.848   9.148  -9.928
   15   2HD1  LEU   5          3HD1      LEU   5  -8.752   7.742  -9.364
   16   3HD1  LEU   5          2HD1      LEU   5  -9.611   9.159  -9.966
   17   1HD2  LEU   5          2HD2      LEU   5  -7.564   9.226  -6.235
   18   2HD2  LEU   5          1HD2      LEU   5  -8.192   7.693  -6.842
   19   3HD2  LEU   5          3HD2      LEU   5  -6.854   8.489  -7.672
   20    NH1  ARG   6           NH2      ARG   6 -11.711  16.651  -1.478
   21    NH2  ARG   6           NH1      ARG   6 -11.525  16.190   0.732
   22    H    ARG   6           H        ARG   6 -10.467  11.446  -4.830
   23    HA   ARG   6           HA       ARG   6  -8.362  12.287  -3.060
   24   1HB   ARG   6          2HB       ARG   6 -10.923  10.743  -2.564
   25   2HB   ARG   6          1HB       ARG   6  -9.883  11.367  -1.288
   26   1HG   ARG   6          2HG       ARG   6 -10.550  13.383  -3.314
   27   2HG   ARG   6          1HG       ARG   6 -11.964  12.754  -2.469
   28   1HD   ARG   6          2HD       ARG   6 -10.214  13.107  -0.391
   29   2HD   ARG   6          1HD       ARG   6  -9.762  14.437  -1.456
   30    HE   ARG   6           HE       ARG   6 -12.616  14.046  -0.670
   31   1HH1  ARG   6          1HH2      ARG   6 -11.816  16.339  -2.423
   32   2HH1  ARG   6          2HH2      ARG   6 -11.641  17.630  -1.282
   33   1HH2  ARG   6          2HH1      ARG   6 -11.488  15.523   1.478
   34   2HH2  ARG   6          1HH1      ARG   6 -11.455  17.167   0.934
   35    H    CYS   7           H        CYS   7  -7.962  10.601  -1.085
   36    HA   CYS   7           HA       CYS   7  -6.113   8.655  -1.975
   37   1HB   CYS   7          2HB       CYS   7  -7.531   9.185   0.600
   38   2HB   CYS   7          1HB       CYS   7  -6.630   7.682   0.419
   39    H    GLN   8           H        GLN   8  -9.565   8.348  -1.376
   40    HA   GLN   8           HA       GLN   8 -11.051   6.692  -2.058
   41   1HB   GLN   8          2HB       GLN   8  -9.616   6.468  -4.082
   42   2HB   GLN   8          1HB       GLN   8  -8.627   5.305  -3.209
   43   1HG   GLN   8          2HG       GLN   8 -11.047   4.189  -2.798
   44   2HG   GLN   8          1HG       GLN   8 -11.365   4.997  -4.333
   45   1HE2  GLN   8          2HE2      GLN   8  -9.687   2.508  -6.158
   46   2HE2  GLN   8          1HE2      GLN   8 -10.863   3.731  -6.128
   47    H    CYS   9           H        CYS   9  -8.009   5.655  -0.506
   48    HA   CYS   9           HA       CYS   9  -9.637   3.621   0.979
   49   1HB   CYS   9          2HB       CYS   9  -6.935   3.515  -0.180
   50   2HB   CYS   9          1HB       CYS   9  -7.028   2.921   1.474
   51    H    ILE  10           H        ILE  10 -10.287   4.771   2.766
   52    HA   ILE  10           HA       ILE  10  -8.539   6.596   4.207
   53    HB   ILE  10           HB       ILE  10 -11.127   5.243   5.060
   54   1HG1  ILE  10          2HG1      ILE  10 -11.042   8.140   4.471
   55   2HG1  ILE  10          1HG1      ILE  10 -10.780   7.100   3.071
   56   1HG2  ILE  10          3HG2      ILE  10  -9.443   7.424   6.305
   57   2HG2  ILE  10          2HG2      ILE  10 -11.160   7.251   6.668
   58   3HG2  ILE  10          1HG2      ILE  10 -10.042   5.945   7.058
   59   1HD1  ILE  10          3HD1      ILE  10 -13.030   6.481   4.961
   60   2HD1  ILE  10          2HD1      ILE  10 -13.232   7.758   3.762
   61   3HD1  ILE  10          1HD1      ILE  10 -12.882   6.108   3.244
   62    H    LYS  11           H        LYS  11  -9.262   3.165   4.319
   63    HA   LYS  11           HA       LYS  11  -7.390   2.850   6.637
   64   1HB   LYS  11          2HB       LYS  11  -9.769   1.220   5.721
   65   2HB   LYS  11          1HB       LYS  11  -8.531   0.527   6.768
   66   1HG   LYS  11          2HG       LYS  11  -8.903   2.362   8.396
   67   2HG   LYS  11          1HG       LYS  11 -10.179   3.003   7.361
   68   1HD   LYS  11          2HD       LYS  11 -11.660   1.351   7.928
   69   2HD   LYS  11          1HD       LYS  11 -10.400   0.124   8.058
   70   1HE   LYS  11          2HE       LYS  11 -10.492   2.348  10.074
   71   2HE   LYS  11          1HE       LYS  11 -11.611   0.996  10.231
   72   1HZ   LYS  11          3HZ       LYS  11  -8.667   0.710   9.960
   73   2HZ   LYS  11          2HZ       LYS  11  -9.503   0.673  11.439
   74   3HZ   LYS  11          1HZ       LYS  11  -9.784  -0.529  10.273
   75    H    THR  12           H        THR  12  -5.413   2.399   5.731
   76    HA   THR  12           HA       THR  12  -5.292   0.896   3.200
   77    HB   THR  12           HB       THR  12  -2.683   1.282   3.934
   78    HG1  THR  12           HG1      THR  12  -2.695   3.482   4.691
   79   1HG2  THR  12          2HG2      THR  12  -4.562   3.143   2.469
   80   2HG2  THR  12          1HG2      THR  12  -2.803   3.208   2.373
   81   3HG2  THR  12          3HG2      THR  12  -3.667   1.793   1.773
   82    OH   TYR  13           OH       TYR  13  -2.975  -8.713   4.283
   83    H    TYR  13           H        TYR  13  -3.130  -0.577   3.226
   84    HA   TYR  13           HA       TYR  13  -3.828  -2.790   5.043
   85   1HB   TYR  13          2HB       TYR  13  -3.379  -2.884   2.454
   86   2HB   TYR  13          1HB       TYR  13  -1.688  -2.894   2.938
   87    HD1  TYR  13           HD1      TYR  13  -4.177  -4.396   5.155
   88    HD2  TYR  13           HD2      TYR  13  -1.402  -5.110   1.956
   89    HE1  TYR  13           HE1      TYR  13  -4.292  -6.837   5.611
   90    HE2  TYR  13           HE2      TYR  13  -1.511  -7.557   2.408
   91    HH   TYR  13           HH       TYR  13  -2.651  -8.871   5.172
   92    H    SER  14           H        SER  14  -2.684  -3.159   6.859
   93    HA   SER  14           HA       SER  14  -0.020  -1.868   7.172
   94   1HB   SER  14          2HB       SER  14  -2.095  -1.878   8.903
   95   2HB   SER  14          1HB       SER  14  -1.276  -3.343   9.432
   96    HG   SER  14           HG       SER  14   0.271  -2.159  10.223
   97    H    LYS  15           H        LYS  15  -1.626  -5.009   7.082
   98    HA   LYS  15           HA       LYS  15   0.752  -6.495   7.869
   99   1HB   LYS  15          2HB       LYS  15  -1.277  -7.894   6.245
  100   2HB   LYS  15          1HB       LYS  15  -0.546  -8.365   7.760
  101   1HG   LYS  15          2HG       LYS  15  -1.976  -6.584   8.885
  102   2HG   LYS  15          1HG       LYS  15  -2.847  -6.446   7.357
  103   1HD   LYS  15          2HD       LYS  15  -3.874  -8.473   7.600
  104   2HD   LYS  15          1HD       LYS  15  -2.476  -9.204   8.390
  105   1HE   LYS  15          2HE       LYS  15  -3.046  -8.324  10.495
  106   2HE   LYS  15          1HE       LYS  15  -4.091  -7.086   9.798
  107   1HZ   LYS  15          2HZ       LYS  15  -4.629 -10.008   9.731
  108   2HZ   LYS  15          1HZ       LYS  15  -5.348  -8.907  10.808
  109   3HZ   LYS  15          3HZ       LYS  15  -5.651  -8.784   9.144
  110    HA   PRO  16           HA       PRO  16   2.585  -6.306   3.867
  111   1HB   PRO  16          2HB       PRO  16   4.645  -8.020   4.403
  112   2HB   PRO  16          1HB       PRO  16   4.579  -6.365   4.992
  113   1HG   PRO  16          2HG       PRO  16   4.201  -8.891   6.502
  114   2HG   PRO  16          1HG       PRO  16   4.660  -7.288   7.100
  115   1HD   PRO  16          2HD       PRO  16   2.062  -8.496   7.226
  116   2HD   PRO  16          1HD       PRO  16   2.491  -6.843   7.699
  117    H    PHE  17           H        PHE  17   3.116  -7.729   2.031
  118    HA   PHE  17           HA       PHE  17   2.452 -10.557   2.127
  119   1HB   PHE  17          2HB       PHE  17   0.443 -10.593   0.863
  120   2HB   PHE  17          1HB       PHE  17   0.182  -9.376   2.103
  121    HD1  PHE  17           HD1      PHE  17   1.385  -6.953   1.168
  122    HD2  PHE  17           HD2      PHE  17  -0.581 -10.010  -1.127
  123    HE1  PHE  17           HE1      PHE  17   0.854  -5.296  -0.594
  124    HE2  PHE  17           HE2      PHE  17  -1.108  -8.345  -2.889
  125    HZ   PHE  17           HZ       PHE  17  -0.391  -5.990  -2.619
  126    H    HIS  18           H        HIS  18   2.764 -11.611   0.003
  127    HA   HIS  18           HA       HIS  18   5.023 -10.506  -1.395
  128   1HB   HIS  18          2HB       HIS  18   4.959 -12.840  -1.197
  129   2HB   HIS  18          1HB       HIS  18   3.290 -12.924  -1.741
  130    HD1  HIS  18           HD1      HIS  18   6.804 -12.695  -3.010
  131    HD2  HIS  18           HD2      HIS  18   2.939 -12.622  -4.489
  132    HE1  HIS  18           HE1      HIS  18   6.988 -12.966  -5.531
  133    HA   PRO  19           HA       PRO  19   2.997  -7.944  -4.301
  134   1HB   PRO  19          2HB       PRO  19   5.083  -7.622  -6.048
  135   2HB   PRO  19          1HB       PRO  19   4.963  -6.813  -4.476
  136   1HG   PRO  19          2HG       PRO  19   6.668  -9.125  -5.277
  137   2HG   PRO  19          1HG       PRO  19   6.952  -7.900  -4.031
  138   1HD   PRO  19          2HD       PRO  19   6.058 -10.528  -3.566
  139   2HD   PRO  19          1HD       PRO  19   5.983  -9.193  -2.403
  140    H    LYS  20           H        LYS  20   4.844 -10.581  -5.945
  141    HA   LYS  20           HA       LYS  20   3.714 -10.335  -8.469
  142   1HB   LYS  20          2HB       LYS  20   5.439 -12.080  -7.544
  143   2HB   LYS  20          1HB       LYS  20   4.006 -13.095  -7.476
  144   1HG   LYS  20          2HG       LYS  20   4.445 -13.528  -9.662
  145   2HG   LYS  20          1HG       LYS  20   3.730 -11.942  -9.945
  146   1HD   LYS  20          2HD       LYS  20   5.968 -10.903  -9.754
  147   2HD   LYS  20          1HD       LYS  20   6.678 -12.498  -9.503
  148   1HE   LYS  20          2HE       LYS  20   5.431 -13.076 -11.758
  149   2HE   LYS  20          1HE       LYS  20   5.481 -11.329 -11.995
  150   1HZ   LYS  20          3HZ       LYS  20   7.888 -11.413 -11.611
  151   2HZ   LYS  20          2HZ       LYS  20   7.806 -13.107 -11.484
  152   3HZ   LYS  20          1HZ       LYS  20   7.424 -12.343 -12.952
  153    H    PHE  21           H        PHE  21   2.030 -11.486  -5.616
  154    HA   PHE  21           HA       PHE  21  -0.124 -12.865  -6.880
  155   1HB   PHE  21          2HB       PHE  21  -0.207 -11.168  -4.409
  156   2HB   PHE  21          1HB       PHE  21  -1.401 -12.359  -4.861
  157    HD1  PHE  21           HD2      PHE  21   0.834 -14.337  -5.963
  158    HD2  PHE  21           HD1      PHE  21   0.231 -12.243  -2.259
  159    HE1  PHE  21           HE2      PHE  21   2.135 -16.072  -4.764
  160    HE2  PHE  21           HE1      PHE  21   1.528 -13.980  -1.062
  161    HZ   PHE  21           HZ       PHE  21   2.479 -15.899  -2.317
  162    H    ILE  22           H        ILE  22   0.495  -9.473  -6.203
  163    HA   ILE  22           HA       ILE  22  -2.015  -8.350  -6.958
  164    HB   ILE  22           HB       ILE  22   0.775  -7.176  -7.197
  165   1HG1  ILE  22          2HG1      ILE  22  -1.112  -6.506  -4.977
  166   2HG1  ILE  22          1HG1      ILE  22  -0.278  -8.057  -4.901
  167   1HG2  ILE  22          3HG2      ILE  22  -1.988  -6.000  -7.353
  168   2HG2  ILE  22          2HG2      ILE  22  -0.617  -5.019  -6.844
  169   3HG2  ILE  22          1HG2      ILE  22  -0.627  -5.758  -8.444
  170   1HD1  ILE  22          2HD1      ILE  22   1.767  -6.372  -5.619
  171   2HD1  ILE  22          1HD1      ILE  22   0.799  -5.335  -4.572
  172   3HD1  ILE  22          3HD1      ILE  22   1.415  -6.869  -3.964
  173    H    LYS  23           H        LYS  23  -2.968  -8.438  -8.919
  174    HA   LYS  23           HA       LYS  23  -1.391  -9.070 -11.324
  175   1HB   LYS  23          2HB       LYS  23  -3.800  -9.906 -10.725
  176   2HB   LYS  23          1HB       LYS  23  -4.313  -8.337 -11.345
  177   1HG   LYS  23          2HG       LYS  23  -3.384  -8.775 -13.501
  178   2HG   LYS  23          1HG       LYS  23  -2.494 -10.178 -12.911
  179   1HD   LYS  23          2HD       LYS  23  -4.414 -11.506 -12.777
  180   2HD   LYS  23          1HD       LYS  23  -5.492 -10.113 -12.692
  181   1HE   LYS  23          2HE       LYS  23  -4.963  -9.565 -15.046
  182   2HE   LYS  23          1HE       LYS  23  -3.900 -10.969 -15.129
  183   1HZ   LYS  23          2HZ       LYS  23  -6.806 -11.061 -14.518
  184   2HZ   LYS  23          1HZ       LYS  23  -6.116 -11.422 -16.026
  185   3HZ   LYS  23          3HZ       LYS  23  -5.772 -12.399 -14.683
  186    H    GLU  24           H        GLU  24  -2.820  -6.267  -9.772
  187    HA   GLU  24           HA       GLU  24  -1.643  -4.554 -11.898
  188   1HB   GLU  24          2HB       GLU  24  -4.541  -4.640 -11.089
  189   2HB   GLU  24          1HB       GLU  24  -3.828  -3.113 -11.608
  190   1HG   GLU  24          2HG       GLU  24  -3.601  -5.655 -13.237
  191   2HG   GLU  24          1HG       GLU  24  -4.916  -4.500 -13.450
  192    HA   LEU  25           HA       LEU  25  -1.061  -2.556  -7.904
  193   1HB   LEU  25          2HB       LEU  25   0.939  -3.910  -7.733
  194   2HB   LEU  25          1HB       LEU  25   1.744  -2.963  -8.985
  195    HG   LEU  25           HG       LEU  25   0.701  -1.352  -6.745
  196   1HD1  LEU  25          2HD1      LEU  25   1.681  -3.667  -5.853
  197   2HD1  LEU  25          1HD1      LEU  25   3.211  -2.827  -6.112
  198   3HD1  LEU  25          3HD1      LEU  25   2.001  -2.143  -5.026
  199   1HD2  LEU  25          1HD2      LEU  25   2.884  -1.372  -8.686
  200   2HD2  LEU  25          3HD2      LEU  25   2.162  -0.011  -7.828
  201   3HD2  LEU  25          2HD2      LEU  25   3.447  -0.949  -7.069
  202    NH1  ARG  26           NH2      ARG  26  -1.801   1.416 -15.309
  203    NH2  ARG  26           NH1      ARG  26  -3.687   0.169 -15.458
  204    H    ARG  26           H        ARG  26  -1.944  -0.520  -8.233
  205    HA   ARG  26           HA       ARG  26  -0.197   1.399  -9.679
  206   1HB   ARG  26          2HB       ARG  26  -3.076   0.882  -9.897
  207   2HB   ARG  26          1HB       ARG  26  -2.627   2.582  -9.874
  208   1HG   ARG  26          2HG       ARG  26  -1.488   2.444 -11.874
  209   2HG   ARG  26          1HG       ARG  26  -1.027   0.761 -11.614
  210   1HD   ARG  26          2HD       ARG  26  -3.687   0.429 -11.809
  211   2HD   ARG  26          1HD       ARG  26  -3.523   1.882 -12.795
  212    HE   ARG  26           HE       ARG  26  -2.028  -0.652 -13.353
  213   1HH1  ARG  26          1HH2      ARG  26  -1.016   1.740 -14.780
  214   2HH1  ARG  26          2HH2      ARG  26  -1.927   1.724 -16.252
  215   1HH2  ARG  26          2HH1      ARG  26  -4.344  -0.461 -15.043
  216   2HH2  ARG  26          1HH1      ARG  26  -3.817   0.475 -16.402
  217    H    VAL  27           H        VAL  27   0.488   3.103  -8.420
  218    HA   VAL  27           HA       VAL  27  -0.848   3.501  -5.792
  219    HB   VAL  27           HB       VAL  27   1.267   4.750  -5.240
  220   1HG1  VAL  27          2HG1      VAL  27   0.808   2.248  -4.835
  221   2HG1  VAL  27          1HG1      VAL  27   1.896   1.962  -6.191
  222   3HG1  VAL  27          3HG1      VAL  27   2.484   2.785  -4.746
  223   1HG2  VAL  27          1HG2      VAL  27   1.805   5.158  -7.721
  224   2HG2  VAL  27          3HG2      VAL  27   3.151   4.683  -6.688
  225   3HG2  VAL  27          2HG2      VAL  27   2.391   3.495  -7.745
  226    H    ILE  28           H        ILE  28  -1.509   5.604  -5.140
  227    HA   ILE  28           HA       ILE  28  -1.902   7.510  -7.398
  228    HB   ILE  28           HB       ILE  28  -3.146   7.444  -4.623
  229   1HG1  ILE  28          2HG1      ILE  28  -4.434   6.890  -7.313
  230   2HG1  ILE  28          1HG1      ILE  28  -3.813   5.616  -6.264
  231   1HG2  ILE  28          2HG2      ILE  28  -3.569   9.255  -7.017
  232   2HG2  ILE  28          1HG2      ILE  28  -4.725   9.132  -5.691
  233   3HG2  ILE  28          3HG2      ILE  28  -3.092   9.725  -5.386
  234   1HD1  ILE  28          1HD1      ILE  28  -5.866   7.669  -5.390
  235   2HD1  ILE  28          3HD1      ILE  28  -6.275   6.057  -5.975
  236   3HD1  ILE  28          2HD1      ILE  28  -5.342   6.245  -4.491
  237    H    GLU  29           H        GLU  29  -0.922   9.526  -7.375
  238    HA   GLU  29           HA       GLU  29   1.305   9.923  -5.547
  239   1HB   GLU  29          2HB       GLU  29   0.132  11.422  -7.863
  240   2HB   GLU  29          1HB       GLU  29   1.246  12.260  -6.788
  241   1HG   GLU  29          2HG       GLU  29   2.622  11.328  -8.491
  242   2HG   GLU  29          1HG       GLU  29   2.819  10.257  -7.105
  243    H    SER  30           H        SER  30   1.427  12.431  -4.729
  244    HA   SER  30           HA       SER  30  -0.978  12.760  -2.995
  245   1HB   SER  30          2HB       SER  30   0.803  14.365  -1.815
  246   2HB   SER  30          1HB       SER  30   0.751  12.639  -1.485
  247    HG   SER  30           HG       SER  30   2.631  12.451  -2.410
  248    H    GLY  31           H        GLY  31  -1.700  14.962  -2.563
  249   1HA   GLY  31          2HA       GLY  31  -0.814  17.285  -3.927
  250   2HA   GLY  31          1HA       GLY  31  -2.046  16.527  -4.929
  251    HA   PRO  32           HA       PRO  32  -4.438  19.099  -1.996
  252   1HB   PRO  32          2HB       PRO  32  -6.347  19.775  -3.864
  253   2HB   PRO  32          1HB       PRO  32  -4.848  20.689  -3.620
  254   1HG   PRO  32          2HG       PRO  32  -5.557  18.791  -5.818
  255   2HG   PRO  32          1HG       PRO  32  -4.466  20.186  -5.849
  256   1HD   PRO  32          2HD       PRO  32  -3.650  17.502  -5.689
  257   2HD   PRO  32          1HD       PRO  32  -2.641  18.906  -5.281
  258    H    HIS  33           H        HIS  33  -5.467  16.734  -4.400
  259    HA   HIS  33           HA       HIS  33  -7.990  15.969  -3.366
  260   1HB   HIS  33          2HB       HIS  33  -7.556  13.795  -4.537
  261   2HB   HIS  33          1HB       HIS  33  -7.210  15.189  -5.553
  262    HD1  HIS  33           HD1      HIS  33  -4.652  15.795  -5.916
  263    HD2  HIS  33           HD2      HIS  33  -5.306  12.192  -3.924
  264    HE1  HIS  33           HE1      HIS  33  -2.414  14.624  -5.815
  265    H    CYS  34           H        CYS  34  -4.719  15.006  -2.413
  266    HA   CYS  34           HA       CYS  34  -5.653  14.118   0.168
  267   1HB   CYS  34          2HB       CYS  34  -5.783  12.163  -1.729
  268   2HB   CYS  34          1HB       CYS  34  -4.136  11.944  -1.145
  269    H    ALA  35           H        ALA  35  -4.101  14.857   1.518
  270    HA   ALA  35           HA       ALA  35  -1.535  15.757   0.589
  271   1HB   ALA  35          1HB       ALA  35  -2.634  15.265   3.367
  272   2HB   ALA  35          3HB       ALA  35  -1.035  15.949   3.073
  273   3HB   ALA  35          2HB       ALA  35  -2.476  16.812   2.533
  274    H    ASN  36           H        ASN  36  -2.556  12.835   2.347
  275    HA   ASN  36           HA       ASN  36   0.197  11.801   2.417
  276   1HB   ASN  36          2HB       ASN  36  -2.461  10.938   3.477
  277   2HB   ASN  36          1HB       ASN  36  -1.239   9.694   3.221
  278   1HD2  ASN  36          2HD2      ASN  36   0.421  10.537   6.200
  279   2HD2  ASN  36          1HD2      ASN  36   0.028   9.352   5.051
  280    H    THR  37           H        THR  37   1.037  10.273   1.037
  281    HA   THR  37           HA       THR  37  -0.349   9.751  -1.477
  282    HB   THR  37           HB       THR  37   2.145   8.317  -0.546
  283    HG1  THR  37           HG1      THR  37   3.079  10.174  -0.387
  284   1HG2  THR  37          3HG2      THR  37   1.179   9.342  -3.230
  285   2HG2  THR  37          2HG2      THR  37   2.712   8.517  -2.953
  286   3HG2  THR  37          1HG2      THR  37   1.191   7.658  -2.703
  287    H    GLU  38           H        GLU  38  -1.035   7.612  -2.220
  288    HA   GLU  38           HA       GLU  38  -1.258   5.551  -0.073
  289   1HB   GLU  38          2HB       GLU  38  -3.381   7.137  -0.636
  290   2HB   GLU  38          1HB       GLU  38  -3.624   5.872  -1.840
  291   1HG   GLU  38          2HG       GLU  38  -4.746   4.965  -0.010
  292   2HG   GLU  38          1HG       GLU  38  -3.143   4.259   0.194
  293    H    ILE  39           H        ILE  39  -1.223   3.424  -0.813
  294    HA   ILE  39           HA       ILE  39  -0.512   3.094  -3.694
  295    HB   ILE  39           HB       ILE  39  -0.043   1.401  -1.221
  296   1HG1  ILE  39          2HG1      ILE  39   2.347   1.794  -2.574
  297   2HG1  ILE  39          1HG1      ILE  39   1.506   3.326  -2.805
  298   1HG2  ILE  39          3HG2      ILE  39   0.265   0.715  -4.138
  299   2HG2  ILE  39          2HG2      ILE  39   1.329  -0.007  -2.935
  300   3HG2  ILE  39          1HG2      ILE  39  -0.411  -0.263  -2.837
  301   1HD1  ILE  39          1HD1      ILE  39   1.380   2.196  -0.065
  302   2HD1  ILE  39          3HD1      ILE  39   2.968   2.752  -0.592
  303   3HD1  ILE  39          2HD1      ILE  39   1.601   3.866  -0.586
  304    H    ILE  40           H        ILE  40  -1.501   1.243  -4.854
  305    HA   ILE  40           HA       ILE  40  -3.899   0.039  -3.610
  306    HB   ILE  40           HB       ILE  40  -4.100   1.487  -6.271
  307   1HG1  ILE  40          2HG1      ILE  40  -5.419   2.260  -3.653
  308   2HG1  ILE  40          1HG1      ILE  40  -3.904   2.977  -4.198
  309   1HG2  ILE  40          2HG2      ILE  40  -6.158   0.126  -4.498
  310   2HG2  ILE  40          1HG2      ILE  40  -6.515   0.983  -5.998
  311   3HG2  ILE  40          3HG2      ILE  40  -5.550  -0.494  -6.033
  312   1HD1  ILE  40          2HD1      ILE  40  -6.378   2.938  -5.932
  313   2HD1  ILE  40          1HD1      ILE  40  -6.038   4.252  -4.807
  314   3HD1  ILE  40          3HD1      ILE  40  -4.925   3.918  -6.134
  315    H    VAL  41           H        VAL  41  -3.979  -2.064  -4.183
  316    HA   VAL  41           HA       VAL  41  -2.626  -2.921  -6.684
  317    HB   VAL  41           HB       VAL  41  -1.927  -4.952  -5.460
  318   1HG1  VAL  41          3HG1      VAL  41  -0.388  -3.044  -5.669
  319   2HG1  VAL  41          2HG1      VAL  41  -1.030  -2.368  -4.171
  320   3HG1  VAL  41          1HG1      VAL  41  -0.140  -3.890  -4.142
  321   1HG2  VAL  41          2HG2      VAL  41  -3.823  -4.353  -3.631
  322   2HG2  VAL  41          1HG2      VAL  41  -2.443  -5.392  -3.276
  323   3HG2  VAL  41          3HG2      VAL  41  -2.402  -3.689  -2.825
  324    H    LYS  42           H        LYS  42  -3.492  -5.064  -7.455
  325    HA   LYS  42           HA       LYS  42  -6.286  -5.568  -6.551
  326   1HB   LYS  42          2HB       LYS  42  -5.372  -4.617  -9.157
  327   2HB   LYS  42          1HB       LYS  42  -6.282  -6.121  -9.291
  328   1HG   LYS  42          2HG       LYS  42  -8.206  -5.192  -8.301
  329   2HG   LYS  42          1HG       LYS  42  -7.304  -3.854  -7.591
  330   1HD   LYS  42          2HD       LYS  42  -8.191  -2.721  -9.380
  331   2HD   LYS  42          1HD       LYS  42  -6.772  -3.386 -10.189
  332   1HE   LYS  42          2HE       LYS  42  -8.224  -5.408 -10.775
  333   2HE   LYS  42          1HE       LYS  42  -9.604  -4.449 -10.244
  334   1HZ   LYS  42          2HZ       LYS  42  -7.664  -3.620 -12.336
  335   2HZ   LYS  42          1HZ       LYS  42  -9.200  -4.275 -12.642
  336   3HZ   LYS  42          3HZ       LYS  42  -9.061  -2.775 -11.865
  337    H    LEU  43           H        LEU  43  -5.286  -7.359  -5.399
  338    HA   LEU  43           HA       LEU  43  -3.677  -9.409  -6.275
  339   1HB   LEU  43          2HB       LEU  43  -6.136  -9.464  -4.545
  340   2HB   LEU  43          1HB       LEU  43  -5.186 -10.908  -4.823
  341    HG   LEU  43           HG       LEU  43  -3.991  -8.319  -3.808
  342   1HD1  LEU  43          3HD1      LEU  43  -5.738  -9.365  -2.269
  343   2HD1  LEU  43          2HD1      LEU  43  -4.667 -10.760  -2.153
  344   3HD1  LEU  43          1HD1      LEU  43  -4.124  -9.182  -1.582
  345   1HD2  LEU  43          1HD2      LEU  43  -3.023 -11.147  -4.198
  346   2HD2  LEU  43          3HD2      LEU  43  -2.254  -9.638  -4.690
  347   3HD2  LEU  43          2HD2      LEU  43  -2.267 -10.109  -2.990
  348    H    SER  44           H        SER  44  -3.867 -11.209  -7.521
  349    HA   SER  44           HA       SER  44  -5.596 -11.305  -9.733
  350   1HB   SER  44          2HB       SER  44  -3.871 -13.382  -8.407
  351   2HB   SER  44          1HB       SER  44  -4.853 -13.782  -9.814
  352    HG   SER  44           HG       SER  44  -2.536 -12.364  -9.639
  353    H    ASP  45           H        ASP  45  -6.207 -12.396  -6.476
  354    HA   ASP  45           HA       ASP  45  -8.326 -14.232  -7.224
  355   1HB   ASP  45          2HB       ASP  45  -7.396 -13.098  -4.584
  356   2HB   ASP  45          1HB       ASP  45  -8.789 -14.172  -4.713
  357    H    GLY  46           H        GLY  46  -8.435 -11.216  -7.962
  358   1HA   GLY  46          2HA       GLY  46 -10.161  -9.666  -8.243
  359   2HA   GLY  46          1HA       GLY  46 -11.265 -10.881  -7.602
  360    NH1  ARG  47           NH1      ARG  47  -7.622  -9.828   2.099
  361    NH2  ARG  47           NH2      ARG  47  -8.676 -11.811   1.790
  362    H    ARG  47           H        ARG  47  -8.424  -9.719  -5.831
  363    HA   ARG  47           HA       ARG  47 -10.311  -8.529  -3.829
  364   1HB   ARG  47          2HB       ARG  47  -8.747 -10.552  -3.291
  365   2HB   ARG  47          1HB       ARG  47  -7.472  -9.337  -3.256
  366   1HG   ARG  47          2HG       ARG  47  -8.190  -8.473  -1.280
  367   2HG   ARG  47          1HG       ARG  47  -9.889  -8.580  -1.747
  368   1HD   ARG  47          2HD       ARG  47  -9.969 -10.925  -1.205
  369   2HD   ARG  47          1HD       ARG  47  -8.222 -10.988  -0.975
  370    HE   ARG  47           HE       ARG  47  -9.967  -9.348   0.821
  371   1HH1  ARG  47          2HH1      ARG  47  -7.507  -8.862   1.869
  372   2HH1  ARG  47          1HH1      ARG  47  -7.042 -10.244   2.801
  373   1HH2  ARG  47          1HH2      ARG  47  -9.369 -12.360   1.322
  374   2HH2  ARG  47          2HH2      ARG  47  -8.099 -12.229   2.491
  375    H    GLU  48           H        GLU  48 -10.076  -6.349  -3.378
  376    HA   GLU  48           HA       GLU  48  -7.745  -4.965  -4.646
  377   1HB   GLU  48          2HB       GLU  48 -10.320  -4.384  -5.100
  378   2HB   GLU  48          1HB       GLU  48 -10.104  -3.429  -3.631
  379   1HG   GLU  48          2HG       GLU  48  -8.050  -2.412  -4.692
  380   2HG   GLU  48          1HG       GLU  48  -8.489  -3.233  -6.189
  381    H    LEU  49           H        LEU  49  -6.189  -4.312  -3.243
  382    HA   LEU  49           HA       LEU  49  -7.025  -3.553  -0.468
  383   1HB   LEU  49          2HB       LEU  49  -5.297  -5.760  -1.271
  384   2HB   LEU  49          1HB       LEU  49  -4.459  -4.613  -0.224
  385    HG   LEU  49           HG       LEU  49  -6.737  -4.774   1.158
  386   1HD1  LEU  49          1HD1      LEU  49  -7.518  -6.455  -0.698
  387   2HD1  LEU  49          3HD1      LEU  49  -6.500  -7.604   0.169
  388   3HD1  LEU  49          2HD1      LEU  49  -7.851  -6.826   0.993
  389   1HD2  LEU  49          2HD2      LEU  49  -4.326  -5.365   1.798
  390   2HD2  LEU  49          1HD2      LEU  49  -5.590  -6.266   2.634
  391   3HD2  LEU  49          3HD2      LEU  49  -4.705  -7.014   1.305
  392    H    CYS  50           H        CYS  50  -6.361  -1.492  -0.117
  393    HA   CYS  50           HA       CYS  50  -4.198  -0.341  -1.741
  394   1HB   CYS  50          2HB       CYS  50  -5.535   1.059   0.503
  395   2HB   CYS  50          1HB       CYS  50  -4.852   1.741  -0.943
  396    H    LEU  51           H        LEU  51  -2.170   0.115  -0.909
  397    HA   LEU  51           HA       LEU  51  -1.571  -1.120   1.686
  398   1HB   LEU  51          2HB       LEU  51   0.340  -0.124  -0.409
  399   2HB   LEU  51          1HB       LEU  51   0.725  -1.117   0.976
  400    HG   LEU  51           HG       LEU  51  -0.694  -1.885  -1.548
  401   1HD1  LEU  51          1HD1      LEU  51   1.793  -2.311  -0.788
  402   2HD1  LEU  51          3HD1      LEU  51   1.066  -3.617   0.147
  403   3HD1  LEU  51          2HD1      LEU  51   0.888  -3.585  -1.606
  404   1HD2  LEU  51          1HD2      LEU  51  -1.202  -3.012   1.206
  405   2HD2  LEU  51          3HD2      LEU  51  -2.368  -2.648  -0.066
  406   3HD2  LEU  51          2HD2      LEU  51  -1.309  -4.048  -0.216
  407    H    ASP  52           H        ASP  52  -0.216  -0.127   3.191
  408    HA   ASP  52           HA       ASP  52  -0.539   2.822   3.348
  409   1HB   ASP  52          2HB       ASP  52  -1.261   1.113   5.198
  410   2HB   ASP  52          1HB       ASP  52   0.457   1.040   5.568
  411    HA   PRO  53           HA       PRO  53   3.792   2.918   2.224
  412   1HB   PRO  53          2HB       PRO  53   3.974   5.670   2.239
  413   2HB   PRO  53          1HB       PRO  53   3.351   4.717   0.881
  414   1HG   PRO  53          2HG       PRO  53   1.839   6.312   2.913
  415   2HG   PRO  53          1HG       PRO  53   1.433   5.974   1.221
  416   1HD   PRO  53          2HD       PRO  53   0.290   4.677   3.414
  417   2HD   PRO  53          1HD       PRO  53   0.311   4.034   1.757
  418    H    LYS  54           H        LYS  54   2.356   3.778   5.194
  419    HA   LYS  54           HA       LYS  54   4.523   5.066   6.511
  420   1HB   LYS  54          2HB       LYS  54   1.976   3.855   7.276
  421   2HB   LYS  54          1HB       LYS  54   3.234   3.587   8.480
  422   1HG   LYS  54          2HG       LYS  54   2.563   5.657   9.199
  423   2HG   LYS  54          1HG       LYS  54   3.690   6.195   7.954
  424   1HD   LYS  54          2HD       LYS  54   1.988   6.722   6.447
  425   2HD   LYS  54          1HD       LYS  54   0.841   5.617   7.203
  426   1HE   LYS  54          2HE       LYS  54   1.170   7.244   9.282
  427   2HE   LYS  54          1HE       LYS  54   1.615   8.390   8.016
  428   1HZ   LYS  54          2HZ       LYS  54  -0.478   7.911   6.901
  429   2HZ   LYS  54          1HZ       LYS  54  -0.906   6.821   8.131
  430   3HZ   LYS  54          3HZ       LYS  54  -0.751   8.473   8.481
  431    H    GLU  55           H        GLU  55   3.881   1.674   5.752
  432    HA   GLU  55           HA       GLU  55   5.976   0.705   7.559
  433   1HB   GLU  55          2HB       GLU  55   4.382  -0.656   5.375
  434   2HB   GLU  55          1HB       GLU  55   5.529  -1.471   6.419
  435   1HG   GLU  55          2HG       GLU  55   3.693  -1.853   7.708
  436   2HG   GLU  55          1HG       GLU  55   4.020  -0.228   8.281
  437    H    ASN  56           H        ASN  56   7.758  -0.607   6.633
  438    HA   ASN  56           HA       ASN  56   8.992   0.796   4.346
  439   1HB   ASN  56          2HB       ASN  56   9.957  -0.505   6.703
  440   2HB   ASN  56          1HB       ASN  56  10.696  -1.228   5.281
  441   1HD2  ASN  56          2HD2      ASN  56  11.519   2.678   6.214
  442   2HD2  ASN  56          1HD2      ASN  56  10.226   1.885   6.975
  443    CH2  TRP  57           CH2      TRP  57   1.655  -4.403   2.440
  444    H    TRP  57           H        TRP  57   7.278  -2.095   5.054
  445    HA   TRP  57           HA       TRP  57   8.424  -3.650   2.908
  446   1HB   TRP  57          2HB       TRP  57   6.917  -5.357   3.555
  447   2HB   TRP  57          1HB       TRP  57   7.397  -4.583   5.037
  448    HD1  TRP  57           HD1      TRP  57   5.570  -3.610   6.487
  449    HE1  TRP  57           HE1      TRP  57   3.018  -3.469   6.316
  450    HE3  TRP  57           HE3      TRP  57   4.919  -4.940   1.620
  451    HZ2  TRP  57           HZ2      TRP  57   0.956  -3.794   4.384
  452    HZ3  TRP  57           HZ3      TRP  57   2.655  -4.992   0.632
  453    HH2  TRP  57           HH2      TRP  57   0.668  -4.432   2.002
  454    H    VAL  58           H        VAL  58   5.535  -1.666   3.404
  455    HA   VAL  58           HA       VAL  58   4.250  -2.327   0.920
  456    HB   VAL  58           HB       VAL  58   4.121   0.001   2.812
  457   1HG1  VAL  58          2HG1      VAL  58   3.020  -0.106   0.014
  458   2HG1  VAL  58          1HG1      VAL  58   2.174   0.792   1.273
  459   3HG1  VAL  58          3HG1      VAL  58   3.823   1.234   0.834
  460   1HG2  VAL  58          2HG2      VAL  58   2.294  -2.188   1.876
  461   2HG2  VAL  58          1HG2      VAL  58   2.795  -1.795   3.519
  462   3HG2  VAL  58          3HG2      VAL  58   1.648  -0.760   2.676
  463    H    GLN  59           H        GLN  59   6.617   0.205   1.781
  464    HA   GLN  59           HA       GLN  59   6.731   1.271  -0.900
  465   1HB   GLN  59          2HB       GLN  59   8.584   2.608  -0.082
  466   2HB   GLN  59          1HB       GLN  59   7.283   2.618   1.106
  467   1HG   GLN  59          2HG       GLN  59   8.414   0.775   2.308
  468   2HG   GLN  59          1HG       GLN  59   9.742   0.867   1.159
  469   1HE2  GLN  59          2HE2      GLN  59  11.174   3.768   2.634
  470   2HE2  GLN  59          1HE2      GLN  59  11.219   2.693   1.321
  471    NH1  ARG  60           NH2      ARG  60  14.474  -4.347   2.364
  472    NH2  ARG  60           NH1      ARG  60  15.780  -2.503   2.171
  473    H    ARG  60           H        ARG  60   8.346  -1.341   0.761
  474    HA   ARG  60           HA       ARG  60  10.495  -1.545  -1.239
  475   1HB   ARG  60          2HB       ARG  60  10.419  -2.344   1.323
  476   2HB   ARG  60          1HB       ARG  60   9.825  -3.825   0.577
  477   1HG   ARG  60          2HG       ARG  60  12.031  -4.311   0.305
  478   2HG   ARG  60          1HG       ARG  60  11.926  -3.208  -1.067
  479   1HD   ARG  60          2HD       ARG  60  12.807  -1.392   0.181
  480   2HD   ARG  60          1HD       ARG  60  12.532  -2.209   1.719
  481    HE   ARG  60           HE       ARG  60  14.618  -3.069  -0.250
  482   1HH1  ARG  60          1HH2      ARG  60  13.735  -4.925   2.018
  483   2HH1  ARG  60          2HH2      ARG  60  14.953  -4.599   3.206
  484   1HH2  ARG  60          2HH1      ARG  60  16.039  -1.673   1.676
  485   2HH2  ARG  60          1HH1      ARG  60  16.261  -2.753   3.011
  486    H    VAL  61           H        VAL  61   7.456  -3.165  -0.403
  487    HA   VAL  61           HA       VAL  61   7.581  -5.218  -2.401
  488    HB   VAL  61           HB       VAL  61   5.315  -3.910  -0.886
  489   1HG1  VAL  61          3HG1      VAL  61   5.170  -6.157  -2.907
  490   2HG1  VAL  61          2HG1      VAL  61   3.884  -5.772  -1.764
  491   3HG1  VAL  61          1HG1      VAL  61   4.347  -4.600  -2.998
  492   1HG2  VAL  61          3HG2      VAL  61   6.587  -6.661  -0.808
  493   2HG2  VAL  61          2HG2      VAL  61   6.806  -5.383   0.385
  494   3HG2  VAL  61          1HG2      VAL  61   5.230  -6.147   0.192
  495    H    VAL  62           H        VAL  62   6.238  -1.918  -2.423
  496    HA   VAL  62           HA       VAL  62   5.161  -2.095  -5.101
  497    HB   VAL  62           HB       VAL  62   5.917   0.252  -3.335
  498   1HG1  VAL  62          2HG1      VAL  62   4.819   0.190  -6.147
  499   2HG1  VAL  62          1HG1      VAL  62   4.475   1.537  -5.061
  500   3HG1  VAL  62          3HG1      VAL  62   6.141   1.166  -5.505
  501   1HG2  VAL  62          2HG2      VAL  62   3.873  -1.372  -2.962
  502   2HG2  VAL  62          1HG2      VAL  62   3.643   0.371  -2.820
  503   3HG2  VAL  62          3HG2      VAL  62   3.161  -0.465  -4.297
  504    H    GLU  63           H        GLU  63   8.261  -0.924  -3.764
  505    HA   GLU  63           HA       GLU  63   9.336  -0.055  -6.266
  506   1HB   GLU  63          2HB       GLU  63  10.200  -0.122  -3.560
  507   2HB   GLU  63          1HB       GLU  63  11.431  -0.943  -4.517
  508   1HG   GLU  63          2HG       GLU  63  11.561   0.976  -6.039
  509   2HG   GLU  63          1HG       GLU  63  10.287   1.796  -5.138
  510    H    LYS  64           H        LYS  64   9.567  -3.144  -4.486
  511    HA   LYS  64           HA       LYS  64  11.343  -4.398  -6.341
  512   1HB   LYS  64          2HB       LYS  64  10.596  -5.124  -3.927
  513   2HB   LYS  64          1HB       LYS  64   9.304  -5.961  -4.787
  514   1HG   LYS  64          2HG       LYS  64  11.032  -7.074  -6.210
  515   2HG   LYS  64          1HG       LYS  64  12.283  -6.316  -5.224
  516   1HD   LYS  64          2HD       LYS  64  11.496  -7.470  -3.238
  517   2HD   LYS  64          1HD       LYS  64  10.113  -8.122  -4.117
  518   1HE   LYS  64          2HE       LYS  64  12.906  -8.663  -5.098
  519   2HE   LYS  64          1HE       LYS  64  12.230  -9.628  -3.787
  520   1HZ   LYS  64          2HZ       LYS  64  10.346 -10.168  -5.202
  521   2HZ   LYS  64          1HZ       LYS  64  11.005  -9.246  -6.467
  522   3HZ   LYS  64          3HZ       LYS  64  11.803 -10.644  -5.933
  523    H    PHE  65           H        PHE  65   7.875  -3.885  -6.295
  524    HA   PHE  65           HA       PHE  65   7.201  -5.834  -8.324
  525   1HB   PHE  65          2HB       PHE  65   5.667  -4.635  -6.594
  526   2HB   PHE  65          1HB       PHE  65   5.631  -3.322  -7.763
  527    HD1  PHE  65           HD2      PHE  65   5.168  -4.104 -10.279
  528    HD2  PHE  65           HD1      PHE  65   4.044  -6.305  -6.767
  529    HE1  PHE  65           HE2      PHE  65   3.448  -5.315 -11.588
  530    HE2  PHE  65           HE1      PHE  65   2.325  -7.512  -8.078
  531    HZ   PHE  65           HZ       PHE  65   2.024  -7.019 -10.487
  532    H    LEU  66           H        LEU  66   7.567  -2.258  -8.415
  533    HA   LEU  66           HA       LEU  66   7.445  -2.265 -11.352
  534   1HB   LEU  66          2HB       LEU  66   7.884  -0.093  -9.293
  535   2HB   LEU  66          1HB       LEU  66   7.959   0.217 -11.027
  536    HG   LEU  66           HG       LEU  66   5.581  -1.188  -9.818
  537   1HD1  LEU  66          3HD1      LEU  66   6.089   1.795 -10.008
  538   2HD1  LEU  66          2HD1      LEU  66   4.488   1.090  -9.777
  539   3HD1  LEU  66          1HD1      LEU  66   5.736   0.864  -8.551
  540   1HD2  LEU  66          2HD2      LEU  66   6.049   0.502 -12.297
  541   2HD2  LEU  66          1HD2      LEU  66   5.786  -1.242 -12.248
  542   3HD2  LEU  66          3HD2      LEU  66   4.480  -0.140 -11.813
  543    H    LYS  67           H        LYS  67   9.928  -1.318  -8.942
  544    HA   LYS  67           HA       LYS  67  12.260  -1.359  -9.060
  545   1HB   LYS  67          2HB       LYS  67  11.719  -3.712 -10.021
  546   2HB   LYS  67          1HB       LYS  67  12.068  -2.994 -11.591
  547   1HG   LYS  67          2HG       LYS  67  14.172  -3.787 -10.984
  548   2HG   LYS  67          1HG       LYS  67  14.248  -2.131 -10.388
  549   1HD   LYS  67          2HD       LYS  67  13.063  -3.996  -8.453
  550   2HD   LYS  67          1HD       LYS  67  14.727  -4.397  -8.873
  551   1HE   LYS  67          2HE       LYS  67  13.972  -1.558  -8.206
  552   2HE   LYS  67          1HE       LYS  67  14.309  -2.718  -6.922
  553   1HZ   LYS  67          3HZ       LYS  67  16.448  -3.189  -8.068
  554   2HZ   LYS  67          2HZ       LYS  67  16.125  -1.893  -9.120
  555   3HZ   LYS  67          1HZ       LYS  67  16.326  -1.612  -7.456
  556    NH1  ARG  68           NH2      ARG  68   8.504   4.838 -14.017
  557    NH2  ARG  68           NH1      ARG  68   8.768   3.721 -15.974
  558    H    ARG  68           H        ARG  68  11.768   0.960  -9.650
  559    HA   ARG  68           HA       ARG  68  12.610   1.571 -12.458
  560   1HB   ARG  68          2HB       ARG  68  10.941   3.166 -10.490
  561   2HB   ARG  68          1HB       ARG  68  11.527   3.814 -12.022
  562   1HG   ARG  68          2HG       ARG  68   9.873   1.283 -11.827
  563   2HG   ARG  68          1HG       ARG  68   9.164   2.877 -12.083
  564   1HD   ARG  68          2HD       ARG  68  11.327   1.731 -13.868
  565   2HD   ARG  68          1HD       ARG  68   9.607   1.547 -14.202
  566    HE   ARG  68           HE       ARG  68  11.152   4.049 -14.412
  567   1HH1  ARG  68          1HH2      ARG  68   8.835   5.074 -13.103
  568   2HH1  ARG  68          2HH2      ARG  68   7.641   5.222 -14.350
  569   1HH2  ARG  68          2HH1      ARG  68   9.301   3.103 -16.553
  570   2HH2  ARG  68          1HH1      ARG  68   7.907   4.102 -16.311
  571    H    ALA  69           H        ALA  69  13.597   4.023 -12.367
  572    HA   ALA  69           HA       ALA  69  16.107   3.765 -10.971
  573   1HB   ALA  69          1HB       ALA  69  14.793   6.038 -12.469
  574   2HB   ALA  69          3HB       ALA  69  16.361   6.226 -11.683
  575   3HB   ALA  69          2HB       ALA  69  16.158   5.043 -12.975
  576    H    GLU  70           H        GLU  70  13.426   6.122 -10.512
  577    HA   GLU  70           HA       GLU  70  13.743   5.964  -7.602
  578   1HB   GLU  70          2HB       GLU  70  15.086   8.041  -9.130
  579   2HB   GLU  70          1HB       GLU  70  13.905   8.740  -8.025
  580   1HG   GLU  70          2HG       GLU  70  15.758   6.587  -7.040
  581   2HG   GLU  70          1HG       GLU  70  16.337   8.249  -7.162
  582    H    ASN  71           H        ASN  71  12.514   8.411  -9.922
  583    HA   ASN  71           HA       ASN  71   9.738   7.674  -9.433
  584   1HB   ASN  71          2HB       ASN  71  10.360   8.958  -7.346
  585   2HB   ASN  71          1HB       ASN  71  10.660  10.361  -8.370
  586   1HD2  ASN  71          2HD2      ASN  71   6.813   9.180  -7.628
  587   2HD2  ASN  71          1HD2      ASN  71   8.109   8.179  -7.182
  588    H    SER  72           H        SER  72  11.628  10.614 -10.261
  589    HA   SER  72           HA       SER  72  11.643  11.941 -12.176
  590   1HB   SER  72          2HB       SER  72  12.030   9.658 -13.252
  591   2HB   SER  72          1HB       SER  72  10.307   9.635 -13.614
  592    HG   SER  72           HG       SER  72  12.356  11.167 -14.686
  593   1HC   CH3  25          1H        LEU  25  -0.264  -3.513 -11.913
  594   2HC   CH3  25          2H        LEU  25  -0.816  -1.908 -11.436
  595   3HC   CH3  25          3H        LEU  25   0.806  -2.451 -11.002
   
  Start of MODEL          29
 Raw file had  595 H/Q atoms
  Start of MODEL   29
    1   1H    GLU   4          2H        GLU   4 -11.373  16.224  -9.772
    2   2H    GLU   4          1H        GLU   4 -10.309  15.502 -10.883
    3   3H    GLU   4          3H        GLU   4 -11.525  14.575 -10.149
    4    HA   GLU   4           HA       GLU   4  -9.497  14.032  -9.077
    5   1HB   GLU   4          2HB       GLU   4  -8.110  15.781  -8.016
    6   2HB   GLU   4          1HB       GLU   4  -8.233  16.034  -9.756
    7   1HG   GLU   4          2HG       GLU   4 -10.379  17.377  -8.281
    8   2HG   GLU   4          1HG       GLU   4  -8.777  17.933  -7.799
    9    H    LEU   5           H        LEU   5  -9.467  13.600  -6.807
   10    HA   LEU   5           HA       LEU   5 -11.309  15.059  -5.033
   11   1HB   LEU   5          2HB       LEU   5 -12.581  12.991  -4.442
   12   2HB   LEU   5          1HB       LEU   5 -12.868  13.523  -6.097
   13    HG   LEU   5           HG       LEU   5 -10.593  11.677  -5.842
   14   1HD1  LEU   5          1HD1      LEU   5 -13.398  10.766  -5.136
   15   2HD1  LEU   5          3HD1      LEU   5 -12.073   9.678  -5.552
   16   3HD1  LEU   5          2HD1      LEU   5 -11.972  10.679  -4.103
   17   1HD2  LEU   5          1HD2      LEU   5 -13.015  12.073  -7.583
   18   2HD2  LEU   5          3HD2      LEU   5 -11.310  12.062  -8.035
   19   3HD2  LEU   5          2HD2      LEU   5 -12.132  10.548  -7.659
   20    NH1  ARG   6           NH1      ARG   6 -11.059  17.660   1.410
   21    NH2  ARG   6           NH2      ARG   6 -12.405  16.983   3.104
   22    H    ARG   6           H        ARG   6 -11.375  13.704  -2.820
   23    HA   ARG   6           HA       ARG   6  -8.694  13.592  -1.827
   24   1HB   ARG   6          2HB       ARG   6 -11.366  12.677  -0.750
   25   2HB   ARG   6          1HB       ARG   6  -9.877  12.410   0.150
   26   1HG   ARG   6          2HG       ARG   6  -9.458  14.722   0.381
   27   2HG   ARG   6          1HG       ARG   6 -10.590  15.143  -0.903
   28   1HD   ARG   6          2HD       ARG   6 -12.385  15.074   0.492
   29   2HD   ARG   6          1HD       ARG   6 -11.785  13.653   1.348
   30    HE   ARG   6           HE       ARG   6 -10.391  15.152   2.716
   31   1HH1  ARG   6          2HH1      ARG   6 -10.370  17.452   0.716
   32   2HH1  ARG   6          1HH1      ARG   6 -11.408  18.593   1.503
   33   1HH2  ARG   6          1HH2      ARG   6 -12.744  16.256   3.704
   34   2HH2  ARG   6          2HH2      ARG   6 -12.757  17.915   3.201
   35    H    CYS   7           H        CYS   7  -8.118  11.412  -0.473
   36    HA   CYS   7           HA       CYS   7  -7.341   9.444  -2.368
   37   1HB   CYS   7          2HB       CYS   7  -7.522   9.499   0.632
   38   2HB   CYS   7          1HB       CYS   7  -7.119   8.001  -0.195
   39    H    GLN   8           H        GLN   8  -8.565   7.945  -3.392
   40    HA   GLN   8           HA       GLN   8 -11.336   7.492  -2.762
   41   1HB   GLN   8          2HB       GLN   8  -9.358   6.402  -4.688
   42   2HB   GLN   8          1HB       GLN   8 -10.700   5.332  -4.286
   43   1HG   GLN   8          2HG       GLN   8 -12.087   7.607  -4.649
   44   2HG   GLN   8          1HG       GLN   8 -10.724   7.946  -5.717
   45   1HE2  GLN   8          2HE2      GLN   8 -11.996   5.853  -8.240
   46   2HE2  GLN   8          1HE2      GLN   8 -11.032   7.184  -7.818
   47    H    CYS   9           H        CYS   9  -8.421   6.156  -1.451
   48    HA   CYS   9           HA       CYS   9  -9.903   3.812  -0.348
   49   1HB   CYS   9          2HB       CYS   9  -7.037   4.420  -0.898
   50   2HB   CYS   9          1HB       CYS   9  -7.391   3.406   0.497
   51    H    ILE  10           H        ILE  10 -10.941   4.404   1.485
   52    HA   ILE  10           HA       ILE  10 -10.054   6.528   3.230
   53    HB   ILE  10           HB       ILE  10 -12.009   4.279   3.813
   54   1HG1  ILE  10          2HG1      ILE  10 -13.346   6.718   3.293
   55   2HG1  ILE  10          1HG1      ILE  10 -12.157   6.536   2.004
   56   1HG2  ILE  10          3HG2      ILE  10 -11.447   6.952   5.115
   57   2HG2  ILE  10          2HG2      ILE  10 -12.960   6.078   5.363
   58   3HG2  ILE  10          1HG2      ILE  10 -11.431   5.355   5.864
   59   1HD1  ILE  10          1HD1      ILE  10 -13.809   4.160   2.784
   60   2HD1  ILE  10          3HD1      ILE  10 -14.543   5.414   1.785
   61   3HD1  ILE  10          2HD1      ILE  10 -13.105   4.565   1.219
   62    H    LYS  11           H        LYS  11  -9.459   3.061   3.111
   63    HA   LYS  11           HA       LYS  11  -7.761   3.347   5.564
   64   1HB   LYS  11          2HB       LYS  11  -9.983   1.621   5.158
   65   2HB   LYS  11          1HB       LYS  11  -8.538   0.610   5.134
   66   1HG   LYS  11          2HG       LYS  11  -7.951   1.149   7.310
   67   2HG   LYS  11          1HG       LYS  11  -8.769   2.712   7.254
   68   1HD   LYS  11          2HD       LYS  11 -10.954   1.601   7.324
   69   2HD   LYS  11          1HD       LYS  11 -10.168   0.021   7.316
   70   1HE   LYS  11          2HE       LYS  11  -9.435   0.217   9.499
   71   2HE   LYS  11          1HE       LYS  11  -9.341   1.975   9.420
   72   1HZ   LYS  11          3HZ       LYS  11 -11.778   2.040   9.401
   73   2HZ   LYS  11          2HZ       LYS  11 -11.823   0.349   9.572
   74   3HZ   LYS  11          1HZ       LYS  11 -11.171   1.315  10.809
   75    H    THR  12           H        THR  12  -5.976   1.638   5.609
   76    HA   THR  12           HA       THR  12  -5.069   0.969   2.841
   77    HB   THR  12           HB       THR  12  -2.705   1.308   4.166
   78    HG1  THR  12           HG1      THR  12  -4.236   3.556   4.899
   79   1HG2  THR  12          2HG2      THR  12  -3.637   2.134   1.908
   80   2HG2  THR  12          1HG2      THR  12  -4.043   3.606   2.790
   81   3HG2  THR  12          3HG2      THR  12  -2.366   3.073   2.690
   82    OH   TYR  13           OH       TYR  13  -2.798  -8.606   4.475
   83    H    TYR  13           H        TYR  13  -2.762  -0.353   3.442
   84    HA   TYR  13           HA       TYR  13  -3.725  -2.664   5.056
   85   1HB   TYR  13          2HB       TYR  13  -3.432  -2.852   2.480
   86   2HB   TYR  13          1HB       TYR  13  -1.706  -2.824   2.827
   87    HD1  TYR  13           HD2      TYR  13  -4.124  -4.291   5.172
   88    HD2  TYR  13           HD1      TYR  13  -1.320  -5.050   2.014
   89    HE1  TYR  13           HE2      TYR  13  -4.169  -6.717   5.727
   90    HE2  TYR  13           HE1      TYR  13  -1.362  -7.484   2.559
   91    HH   TYR  13           HH       TYR  13  -2.520  -8.717   5.387
   92    H    SER  14           H        SER  14  -2.599  -2.787   6.929
   93    HA   SER  14           HA       SER  14   0.125  -1.648   7.100
   94   1HB   SER  14          2HB       SER  14  -1.703  -1.373   8.902
   95   2HB   SER  14          1HB       SER  14  -1.375  -3.052   9.317
   96    HG   SER  14           HG       SER  14   0.442  -2.459  10.202
   97    H    LYS  15           H        LYS  15  -1.511  -4.786   7.246
   98    HA   LYS  15           HA       LYS  15   0.885  -6.259   7.948
   99   1HB   LYS  15          2HB       LYS  15  -1.189  -7.701   6.434
  100   2HB   LYS  15          1HB       LYS  15  -0.420  -8.122   7.943
  101   1HG   LYS  15          2HG       LYS  15  -1.812  -6.183   8.966
  102   2HG   LYS  15          1HG       LYS  15  -2.784  -6.314   7.501
  103   1HD   LYS  15          2HD       LYS  15  -2.779  -8.888   8.093
  104   2HD   LYS  15          1HD       LYS  15  -2.425  -8.298   9.719
  105   1HE   LYS  15          2HE       LYS  15  -4.417  -6.690   9.363
  106   2HE   LYS  15          1HE       LYS  15  -4.847  -7.734   8.009
  107   1HZ   LYS  15          3HZ       LYS  15  -4.458  -8.635  10.812
  108   2HZ   LYS  15          2HZ       LYS  15  -5.960  -8.390  10.059
  109   3HZ   LYS  15          1HZ       LYS  15  -4.920  -9.614   9.505
  110    HA   PRO  16           HA       PRO  16   2.594  -6.221   3.882
  111   1HB   PRO  16          2HB       PRO  16   4.689  -7.886   4.442
  112   2HB   PRO  16          1HB       PRO  16   4.622  -6.206   4.953
  113   1HG   PRO  16          2HG       PRO  16   4.325  -8.659   6.594
  114   2HG   PRO  16          1HG       PRO  16   4.767  -7.021   7.101
  115   1HD   PRO  16          2HD       PRO  16   2.193  -8.274   7.341
  116   2HD   PRO  16          1HD       PRO  16   2.610  -6.599   7.748
  117    H    PHE  17           H        PHE  17   3.079  -7.735   2.102
  118    HA   PHE  17           HA       PHE  17   2.431 -10.561   2.386
  119   1HB   PHE  17          2HB       PHE  17   0.417 -10.659   1.119
  120   2HB   PHE  17          1HB       PHE  17   0.163  -9.398   2.318
  121    HD1  PHE  17           HD2      PHE  17   0.739  -6.941   1.547
  122    HD2  PHE  17           HD1      PHE  17   0.019 -10.222  -1.133
  123    HE1  PHE  17           HE2      PHE  17   0.226  -5.342  -0.279
  124    HE2  PHE  17           HE1      PHE  17  -0.494  -8.623  -2.952
  125    HZ   PHE  17           HZ       PHE  17  -0.390  -6.184  -2.527
  126    H    HIS  18           H        HIS  18   2.652 -11.729   0.269
  127    HA   HIS  18           HA       HIS  18   4.946 -10.776  -1.175
  128   1HB   HIS  18          2HB       HIS  18   4.721 -13.106  -0.897
  129   2HB   HIS  18          1HB       HIS  18   3.073 -13.094  -1.513
  130    HD1  HIS  18           HD1      HIS  18   6.653 -13.031  -2.643
  131    HD2  HIS  18           HD2      HIS  18   2.850 -12.870  -4.264
  132    HE1  HIS  18           HE1      HIS  18   6.920 -13.329  -5.153
  133    HA   PRO  19           HA       PRO  19   3.012  -8.165  -4.122
  134   1HB   PRO  19          2HB       PRO  19   5.145  -7.885  -5.812
  135   2HB   PRO  19          1HB       PRO  19   5.011  -7.084  -4.239
  136   1HG   PRO  19          2HG       PRO  19   6.675  -9.436  -5.011
  137   2HG   PRO  19          1HG       PRO  19   6.971  -8.216  -3.762
  138   1HD   PRO  19          2HD       PRO  19   6.000 -10.819  -3.309
  139   2HD   PRO  19          1HD       PRO  19   5.938  -9.480  -2.149
  140    H    LYS  20           H        LYS  20   4.838 -10.881  -5.645
  141    HA   LYS  20           HA       LYS  20   3.804 -10.633  -8.224
  142   1HB   LYS  20          2HB       LYS  20   5.472 -12.403  -7.178
  143   2HB   LYS  20          1HB       LYS  20   4.022 -13.393  -7.226
  144   1HG   LYS  20          2HG       LYS  20   4.873 -13.804  -9.345
  145   2HG   LYS  20          1HG       LYS  20   3.810 -12.436  -9.676
  146   1HD   LYS  20          2HD       LYS  20   5.603 -10.906  -9.766
  147   2HD   LYS  20          1HD       LYS  20   6.695 -11.999  -8.915
  148   1HE   LYS  20          2HE       LYS  20   7.435 -12.265 -11.105
  149   2HE   LYS  20          1HE       LYS  20   6.252 -13.567 -10.995
  150   1HZ   LYS  20          1HZ       LYS  20   5.714 -10.847 -12.061
  151   2HZ   LYS  20          3HZ       LYS  20   5.967 -12.233 -13.004
  152   3HZ   LYS  20          2HZ       LYS  20   4.604 -12.132 -11.995
  153    H    PHE  21           H        PHE  21   2.048 -11.700  -5.394
  154    HA   PHE  21           HA       PHE  21  -0.088 -13.104  -6.651
  155   1HB   PHE  21          2HB       PHE  21  -0.178 -11.322  -4.240
  156   2HB   PHE  21          1HB       PHE  21  -1.413 -12.471  -4.683
  157    HD1  PHE  21           HD1      PHE  21   0.838 -14.543  -5.675
  158    HD2  PHE  21           HD2      PHE  21   0.074 -12.386  -2.036
  159    HE1  PHE  21           HE1      PHE  21   2.024 -16.292  -4.379
  160    HE2  PHE  21           HE2      PHE  21   1.261 -14.135  -0.746
  161    HZ   PHE  21           HZ       PHE  21   2.234 -16.093  -1.919
  162    H    ILE  22           H        ILE  22   0.486  -9.690  -6.002
  163    HA   ILE  22           HA       ILE  22  -2.008  -8.640  -6.915
  164    HB   ILE  22           HB       ILE  22   0.766  -7.402  -6.853
  165   1HG1  ILE  22          2HG1      ILE  22   0.043  -8.045  -4.635
  166   2HG1  ILE  22          1HG1      ILE  22  -0.160  -6.301  -4.779
  167   1HG2  ILE  22          2HG2      ILE  22  -1.893  -6.348  -7.655
  168   2HG2  ILE  22          1HG2      ILE  22  -0.907  -5.305  -6.633
  169   3HG2  ILE  22          3HG2      ILE  22  -0.283  -5.864  -8.181
  170   1HD1  ILE  22          1HD1      ILE  22  -2.580  -6.760  -5.438
  171   2HD1  ILE  22          3HD1      ILE  22  -2.306  -8.429  -4.943
  172   3HD1  ILE  22          2HD1      ILE  22  -2.168  -7.127  -3.763
  173    H    LYS  23           H        LYS  23  -2.817  -8.594  -8.915
  174    HA   LYS  23           HA       LYS  23  -1.058  -9.128 -11.237
  175   1HB   LYS  23          2HB       LYS  23  -3.559 -10.024 -10.689
  176   2HB   LYS  23          1HB       LYS  23  -3.958  -8.585 -11.626
  177   1HG   LYS  23          2HG       LYS  23  -2.245  -9.423 -13.346
  178   2HG   LYS  23          1HG       LYS  23  -2.289 -10.957 -12.477
  179   1HD   LYS  23          2HD       LYS  23  -4.837 -10.867 -12.752
  180   2HD   LYS  23          1HD       LYS  23  -4.559  -9.567 -13.911
  181   1HE   LYS  23          2HE       LYS  23  -2.986 -12.096 -14.221
  182   2HE   LYS  23          1HE       LYS  23  -4.681 -12.103 -14.708
  183   1HZ   LYS  23          2HZ       LYS  23  -4.211 -10.112 -16.061
  184   2HZ   LYS  23          1HZ       LYS  23  -2.563 -10.262 -15.677
  185   3HZ   LYS  23          3HZ       LYS  23  -3.338 -11.478 -16.568
  186    H    GLU  24           H        GLU  24  -2.809  -6.509  -9.693
  187    HA   GLU  24           HA       GLU  24  -1.771  -4.654 -11.791
  188   1HB   GLU  24          2HB       GLU  24  -4.556  -4.613 -10.581
  189   2HB   GLU  24          1HB       GLU  24  -3.888  -3.336 -11.597
  190   1HG   GLU  24          2HG       GLU  24  -4.055  -4.584 -13.517
  191   2HG   GLU  24          1HG       GLU  24  -3.749  -6.106 -12.682
  192    HA   LEU  25           HA       LEU  25  -0.983  -2.744  -7.787
  193   1HB   LEU  25          2HB       LEU  25   0.968  -4.134  -7.618
  194   2HB   LEU  25          1HB       LEU  25   1.748  -3.313  -8.969
  195    HG   LEU  25           HG       LEU  25   0.948  -1.470  -6.831
  196   1HD1  LEU  25          3HD1      LEU  25   1.724  -3.820  -5.787
  197   2HD1  LEU  25          2HD1      LEU  25   3.310  -3.102  -6.073
  198   3HD1  LEU  25          1HD1      LEU  25   2.135  -2.271  -5.053
  199   1HD2  LEU  25          1HD2      LEU  25   3.027  -1.838  -8.819
  200   2HD2  LEU  25          3HD2      LEU  25   2.550  -0.366  -7.973
  201   3HD2  LEU  25          2HD2      LEU  25   3.738  -1.451  -7.252
  202    NH1  ARG  26           NH1      ARG  26  -2.978   1.929 -15.619
  203    NH2  ARG  26           NH2      ARG  26  -3.623   3.945 -14.802
  204    H    ARG  26           H        ARG  26  -1.859  -0.699  -8.185
  205    HA   ARG  26           HA       ARG  26  -0.054   1.158  -9.641
  206   1HB   ARG  26          2HB       ARG  26  -2.809   0.545 -10.116
  207   2HB   ARG  26          1HB       ARG  26  -2.643   2.247  -9.700
  208   1HG   ARG  26          2HG       ARG  26  -0.856   2.471 -11.407
  209   2HG   ARG  26          1HG       ARG  26  -1.093   0.780 -11.853
  210   1HD   ARG  26          2HD       ARG  26  -3.301   1.197 -12.654
  211   2HD   ARG  26          1HD       ARG  26  -3.350   2.792 -11.904
  212    HE   ARG  26           HE       ARG  26  -1.211   2.936 -13.676
  213   1HH1  ARG  26          2HH1      ARG  26  -2.439   1.090 -15.531
  214   2HH1  ARG  26          1HH1      ARG  26  -3.563   2.063 -16.420
  215   1HH2  ARG  26          1HH2      ARG  26  -3.576   4.647 -14.090
  216   2HH2  ARG  26          2HH2      ARG  26  -4.209   4.084 -15.601
  217    H    VAL  27           H        VAL  27   0.682   2.818  -8.387
  218    HA   VAL  27           HA       VAL  27  -0.668   3.329  -5.791
  219    HB   VAL  27           HB       VAL  27   1.460   4.550  -5.261
  220   1HG1  VAL  27          2HG1      VAL  27   1.055   2.120  -4.731
  221   2HG1  VAL  27          1HG1      VAL  27   1.928   1.716  -6.208
  222   3HG1  VAL  27          3HG1      VAL  27   2.757   2.550  -4.894
  223   1HG2  VAL  27          1HG2      VAL  27   1.952   4.896  -7.791
  224   2HG2  VAL  27          3HG2      VAL  27   3.309   4.539  -6.725
  225   3HG2  VAL  27          2HG2      VAL  27   2.618   3.265  -7.729
  226    H    ILE  28           H        ILE  28  -1.296   5.474  -5.205
  227    HA   ILE  28           HA       ILE  28  -1.541   7.334  -7.536
  228    HB   ILE  28           HB       ILE  28  -3.175   7.164  -4.979
  229   1HG1  ILE  28          2HG1      ILE  28  -3.950   6.628  -7.868
  230   2HG1  ILE  28          1HG1      ILE  28  -3.575   5.368  -6.692
  231   1HG2  ILE  28          2HG2      ILE  28  -3.312   9.040  -7.359
  232   2HG2  ILE  28          1HG2      ILE  28  -4.619   8.861  -6.187
  233   3HG2  ILE  28          3HG2      ILE  28  -3.049   9.476  -5.671
  234   1HD1  ILE  28          2HD1      ILE  28  -5.407   6.237  -5.233
  235   2HD1  ILE  28          1HD1      ILE  28  -5.817   7.403  -6.492
  236   3HD1  ILE  28          3HD1      ILE  28  -5.995   5.675  -6.799
  237    H    GLU  29           H        GLU  29  -0.628   9.358  -7.390
  238    HA   GLU  29           HA       GLU  29   1.341   9.862  -5.346
  239   1HB   GLU  29          2HB       GLU  29   1.496  12.118  -6.462
  240   2HB   GLU  29          1HB       GLU  29   1.719  10.758  -7.549
  241   1HG   GLU  29          2HG       GLU  29  -0.244  11.160  -8.671
  242   2HG   GLU  29          1HG       GLU  29  -1.074  11.724  -7.221
  243    H    SER  30           H        SER  30   1.278  12.240  -4.341
  244    HA   SER  30           HA       SER  30  -1.339  12.463  -2.919
  245   1HB   SER  30          2HB       SER  30   0.283  13.889  -1.344
  246   2HB   SER  30          1HB       SER  30   0.139  12.145  -1.188
  247    HG   SER  30           HG       SER  30   2.153  13.683  -2.437
  248    H    GLY  31           H        GLY  31  -2.091  14.626  -2.421
  249   1HA   GLY  31          2HA       GLY  31  -0.876  16.918  -3.796
  250   2HA   GLY  31          1HA       GLY  31  -2.424  16.409  -4.458
  251    HA   PRO  32           HA       PRO  32  -3.453  19.261  -0.989
  252   1HB   PRO  32          2HB       PRO  32  -5.409  20.592  -2.405
  253   2HB   PRO  32          1HB       PRO  32  -3.706  21.080  -2.393
  254   1HG   PRO  32          2HG       PRO  32  -5.245  19.671  -4.536
  255   2HG   PRO  32          1HG       PRO  32  -3.856  20.760  -4.684
  256   1HD   PRO  32          2HD       PRO  32  -3.733  17.961  -4.870
  257   2HD   PRO  32          1HD       PRO  32  -2.346  19.028  -4.559
  258    H    HIS  33           H        HIS  33  -5.466  17.547  -3.323
  259    HA   HIS  33           HA       HIS  33  -7.861  17.249  -1.827
  260   1HB   HIS  33          2HB       HIS  33  -8.330  15.361  -3.341
  261   2HB   HIS  33          1HB       HIS  33  -7.637  16.701  -4.254
  262    HD1  HIS  33           HD1      HIS  33  -4.971  16.483  -4.766
  263    HD2  HIS  33           HD2      HIS  33  -6.875  12.989  -3.525
  264    HE1  HIS  33           HE1      HIS  33  -3.335  14.608  -5.187
  265    H    CYS  34           H        CYS  34  -4.854  15.371  -1.831
  266    HA   CYS  34           HA       CYS  34  -5.659  14.117   0.696
  267   1HB   CYS  34          2HB       CYS  34  -6.105  12.612  -1.404
  268   2HB   CYS  34          1HB       CYS  34  -4.352  12.421  -1.416
  269    H    ALA  35           H        ALA  35  -4.076  14.923   2.002
  270    HA   ALA  35           HA       ALA  35  -1.495  15.763   1.147
  271   1HB   ALA  35          2HB       ALA  35  -2.557  16.516   3.251
  272   2HB   ALA  35          1HB       ALA  35  -2.361  14.894   3.917
  273   3HB   ALA  35          3HB       ALA  35  -0.942  15.869   3.538
  274    H    ASN  36           H        ASN  36  -2.471  12.727   2.762
  275    HA   ASN  36           HA       ASN  36   0.243  11.650   2.583
  276   1HB   ASN  36          2HB       ASN  36  -2.381  10.713   3.658
  277   2HB   ASN  36          1HB       ASN  36  -1.189   9.486   3.236
  278   1HD2  ASN  36          2HD2      ASN  36  -0.767  11.283   6.730
  279   2HD2  ASN  36          1HD2      ASN  36  -2.222  11.146   5.867
  280    H    THR  37           H        THR  37   0.938   9.966   1.226
  281    HA   THR  37           HA       THR  37  -0.384   9.794  -1.384
  282    HB   THR  37           HB       THR  37   1.888   7.999  -0.549
  283    HG1  THR  37           HG1      THR  37   2.940   9.713   0.039
  284   1HG2  THR  37          3HG2      THR  37   0.969   9.393  -3.055
  285   2HG2  THR  37          2HG2      THR  37   2.616   8.780  -2.910
  286   3HG2  THR  37          1HG2      THR  37   1.249   7.672  -2.791
  287    H    GLU  38           H        GLU  38  -1.032   7.618  -2.326
  288    HA   GLU  38           HA       GLU  38  -1.710   5.612  -0.225
  289   1HB   GLU  38          2HB       GLU  38  -3.574   7.317  -1.682
  290   2HB   GLU  38          1HB       GLU  38  -3.914   5.607  -1.940
  291   1HG   GLU  38          2HG       GLU  38  -3.330   6.551   0.846
  292   2HG   GLU  38          1HG       GLU  38  -4.918   6.880   0.159
  293    H    ILE  39           H        ILE  39  -1.184   3.594  -0.874
  294    HA   ILE  39           HA       ILE  39  -0.510   3.146  -3.730
  295    HB   ILE  39           HB       ILE  39  -0.016   1.605  -1.166
  296   1HG1  ILE  39          2HG1      ILE  39   2.341   1.885  -2.615
  297   2HG1  ILE  39          1HG1      ILE  39   1.497   3.403  -2.914
  298   1HG2  ILE  39          1HG2      ILE  39   0.317   0.698  -4.029
  299   2HG2  ILE  39          3HG2      ILE  39   1.290   0.021  -2.724
  300   3HG2  ILE  39          2HG2      ILE  39  -0.465  -0.152  -2.698
  301   1HD1  ILE  39          2HD1      ILE  39   1.286   2.625  -0.121
  302   2HD1  ILE  39          1HD1      ILE  39   2.972   2.738  -0.626
  303   3HD1  ILE  39          3HD1      ILE  39   1.899   4.125  -0.817
  304    H    ILE  40           H        ILE  40  -1.432   1.220  -4.831
  305    HA   ILE  40           HA       ILE  40  -3.837   0.023  -3.589
  306    HB   ILE  40           HB       ILE  40  -4.004   1.342  -6.317
  307   1HG1  ILE  40          2HG1      ILE  40  -5.326   2.239  -3.737
  308   2HG1  ILE  40          1HG1      ILE  40  -3.847   2.960  -4.365
  309   1HG2  ILE  40          3HG2      ILE  40  -6.048   0.011  -4.507
  310   2HG2  ILE  40          2HG2      ILE  40  -6.438   0.855  -6.007
  311   3HG2  ILE  40          1HG2      ILE  40  -5.454  -0.609  -6.048
  312   1HD1  ILE  40          1HD1      ILE  40  -6.451   2.793  -5.905
  313   2HD1  ILE  40          3HD1      ILE  40  -5.897   4.223  -5.035
  314   3HD1  ILE  40          2HD1      ILE  40  -4.980   3.621  -6.415
  315    H    VAL  41           H        VAL  41  -4.025  -2.086  -4.199
  316    HA   VAL  41           HA       VAL  41  -2.568  -3.020  -6.605
  317    HB   VAL  41           HB       VAL  41  -1.880  -5.009  -5.230
  318   1HG1  VAL  41          1HG1      VAL  41  -0.434  -2.968  -5.777
  319   2HG1  VAL  41          3HG1      VAL  41  -0.744  -2.452  -4.119
  320   3HG1  VAL  41          2HG1      VAL  41   0.097  -3.971  -4.427
  321   1HG2  VAL  41          1HG2      VAL  41  -3.602  -4.378  -3.390
  322   2HG2  VAL  41          3HG2      VAL  41  -2.038  -5.020  -2.888
  323   3HG2  VAL  41          2HG2      VAL  41  -2.342  -3.285  -2.817
  324    H    LYS  42           H        LYS  42  -3.312  -5.285  -7.188
  325    HA   LYS  42           HA       LYS  42  -6.070  -5.880  -6.238
  326   1HB   LYS  42          2HB       LYS  42  -5.404  -4.823  -8.793
  327   2HB   LYS  42          1HB       LYS  42  -5.830  -6.516  -9.038
  328   1HG   LYS  42          2HG       LYS  42  -7.991  -6.235  -8.200
  329   2HG   LYS  42          1HG       LYS  42  -7.553  -4.796  -7.277
  330   1HD   LYS  42          2HD       LYS  42  -8.233  -3.498  -8.981
  331   2HD   LYS  42          1HD       LYS  42  -7.025  -4.247 -10.027
  332   1HE   LYS  42          2HE       LYS  42  -9.026  -4.725 -11.152
  333   2HE   LYS  42          1HE       LYS  42  -8.758  -6.196 -10.217
  334   1HZ   LYS  42          1HZ       LYS  42 -10.436  -3.923  -9.302
  335   2HZ   LYS  42          3HZ       LYS  42 -11.047  -5.314 -10.056
  336   3HZ   LYS  42          2HZ       LYS  42 -10.270  -5.437  -8.551
  337    H    LEU  43           H        LEU  43  -5.604  -7.797  -5.190
  338    HA   LEU  43           HA       LEU  43  -3.606  -9.670  -5.918
  339   1HB   LEU  43          2HB       LEU  43  -6.179  -9.965  -4.373
  340   2HB   LEU  43          1HB       LEU  43  -5.054 -11.291  -4.578
  341    HG   LEU  43           HG       LEU  43  -4.111  -8.622  -3.544
  342   1HD1  LEU  43          3HD1      LEU  43  -5.433 -10.869  -2.017
  343   2HD1  LEU  43          2HD1      LEU  43  -4.312  -9.750  -1.242
  344   3HD1  LEU  43          1HD1      LEU  43  -5.803  -9.145  -1.963
  345   1HD2  LEU  43          1HD2      LEU  43  -2.499 -10.402  -4.336
  346   2HD2  LEU  43          3HD2      LEU  43  -2.286  -9.934  -2.649
  347   3HD2  LEU  43          2HD2      LEU  43  -3.108 -11.443  -3.049
  348    H    SER  44           H        SER  44  -3.641 -11.497  -7.193
  349    HA   SER  44           HA       SER  44  -5.260 -11.556  -9.505
  350   1HB   SER  44          2HB       SER  44  -3.392 -13.505  -8.211
  351   2HB   SER  44          1HB       SER  44  -4.403 -14.053  -9.545
  352    HG   SER  44           HG       SER  44  -3.451 -12.599 -10.870
  353    H    ASP  45           H        ASP  45  -5.811 -12.915  -6.326
  354    HA   ASP  45           HA       ASP  45  -7.775 -14.858  -7.044
  355   1HB   ASP  45          2HB       ASP  45  -7.451 -13.284  -4.472
  356   2HB   ASP  45          1HB       ASP  45  -8.459 -14.718  -4.662
  357    H    GLY  46           H        GLY  46  -7.850 -11.432  -7.112
  358   1HA   GLY  46          2HA       GLY  46  -9.723 -10.289  -8.182
  359   2HA   GLY  46          1HA       GLY  46 -10.806 -11.483  -7.470
  360    NH1  ARG  47           NH1      ARG  47 -10.357 -11.280   1.741
  361    NH2  ARG  47           NH2      ARG  47  -8.572 -10.140   2.551
  362    H    ARG  47           H        ARG  47  -8.165  -9.919  -5.702
  363    HA   ARG  47           HA       ARG  47 -10.239  -8.657  -3.951
  364   1HB   ARG  47          2HB       ARG  47  -8.567 -10.469  -3.098
  365   2HB   ARG  47          1HB       ARG  47  -7.382  -9.168  -3.157
  366   1HG   ARG  47          2HG       ARG  47  -8.220  -8.191  -1.298
  367   2HG   ARG  47          1HG       ARG  47  -9.879  -8.338  -1.879
  368   1HD   ARG  47          2HD       ARG  47 -10.000 -10.640  -1.132
  369   2HD   ARG  47          1HD       ARG  47  -8.288 -10.637  -0.713
  370    HE   ARG  47           HE       ARG  47  -9.767  -8.573   0.708
  371   1HH1  ARG  47          2HH1      ARG  47 -11.056 -11.410   1.036
  372   2HH1  ARG  47          1HH1      ARG  47 -10.329 -11.890   2.534
  373   1HH2  ARG  47          1HH2      ARG  47  -7.906  -9.398   2.465
  374   2HH2  ARG  47          2HH2      ARG  47  -8.542 -10.748   3.344
  375    H    GLU  48           H        GLU  48  -9.530  -6.588  -2.915
  376    HA   GLU  48           HA       GLU  48  -7.560  -5.039  -4.527
  377   1HB   GLU  48          2HB       GLU  48 -10.118  -4.665  -5.100
  378   2HB   GLU  48          1HB       GLU  48 -10.095  -3.711  -3.616
  379   1HG   GLU  48          2HG       GLU  48  -7.935  -2.641  -4.662
  380   2HG   GLU  48          1HG       GLU  48  -8.592  -3.254  -6.179
  381    H    LEU  49           H        LEU  49  -6.059  -4.339  -3.083
  382    HA   LEU  49           HA       LEU  49  -7.012  -3.481  -0.377
  383   1HB   LEU  49          2HB       LEU  49  -5.136  -5.610  -1.069
  384   2HB   LEU  49          1HB       LEU  49  -4.409  -4.403  -0.008
  385    HG   LEU  49           HG       LEU  49  -6.622  -4.628   1.361
  386   1HD1  LEU  49          2HD1      LEU  49  -7.192  -6.410  -0.711
  387   2HD1  LEU  49          1HD1      LEU  49  -6.747  -7.452   0.640
  388   3HD1  LEU  49          3HD1      LEU  49  -8.057  -6.286   0.821
  389   1HD2  LEU  49          2HD2      LEU  49  -4.193  -5.485   1.837
  390   2HD2  LEU  49          1HD2      LEU  49  -5.528  -6.138   2.786
  391   3HD2  LEU  49          3HD2      LEU  49  -4.859  -7.070   1.445
  392    H    CYS  50           H        CYS  50  -6.397  -1.418   0.037
  393    HA   CYS  50           HA       CYS  50  -4.362  -0.133  -1.662
  394   1HB   CYS  50          2HB       CYS  50  -5.313   1.390   0.622
  395   2HB   CYS  50          1HB       CYS  50  -5.282   1.832  -1.068
  396    H    LEU  51           H        LEU  51  -2.264   0.116  -0.991
  397    HA   LEU  51           HA       LEU  51  -1.572  -0.998   1.626
  398   1HB   LEU  51          2HB       LEU  51   0.257  -0.072  -0.574
  399   2HB   LEU  51          1HB       LEU  51   0.690  -1.044   0.812
  400    HG   LEU  51           HG       LEU  51  -0.849  -1.841  -1.634
  401   1HD1  LEU  51          1HD1      LEU  51   1.608  -2.319  -1.226
  402   2HD1  LEU  51          3HD1      LEU  51   1.102  -3.368   0.098
  403   3HD1  LEU  51          2HD1      LEU  51   0.614  -3.738  -1.556
  404   1HD2  LEU  51          2HD2      LEU  51  -1.203  -2.971   1.152
  405   2HD2  LEU  51          1HD2      LEU  51  -2.455  -2.503   0.003
  406   3HD2  LEU  51          3HD2      LEU  51  -1.490  -3.949  -0.286
  407    H    ASP  52           H        ASP  52  -0.127   0.009   3.034
  408    HA   ASP  52           HA       ASP  52  -0.430   2.964   3.111
  409   1HB   ASP  52          2HB       ASP  52  -1.168   1.271   4.998
  410   2HB   ASP  52          1HB       ASP  52   0.543   1.295   5.415
  411    HA   PRO  53           HA       PRO  53   3.904   3.033   2.042
  412   1HB   PRO  53          2HB       PRO  53   4.099   5.785   2.068
  413   2HB   PRO  53          1HB       PRO  53   3.476   4.843   0.703
  414   1HG   PRO  53          2HG       PRO  53   1.968   6.445   2.729
  415   2HG   PRO  53          1HG       PRO  53   1.560   6.101   1.040
  416   1HD   PRO  53          2HD       PRO  53   0.419   4.816   3.246
  417   2HD   PRO  53          1HD       PRO  53   0.418   4.180   1.587
  418    H    LYS  54           H        LYS  54   2.435   3.915   4.988
  419    HA   LYS  54           HA       LYS  54   4.566   5.190   6.354
  420   1HB   LYS  54          2HB       LYS  54   1.987   4.340   6.985
  421   2HB   LYS  54          1HB       LYS  54   3.025   3.402   8.055
  422   1HG   LYS  54          2HG       LYS  54   3.665   5.233   9.248
  423   2HG   LYS  54          1HG       LYS  54   3.763   6.253   7.812
  424   1HD   LYS  54          2HD       LYS  54   1.044   5.376   8.683
  425   2HD   LYS  54          1HD       LYS  54   1.855   6.602   9.660
  426   1HE   LYS  54          2HE       LYS  54   2.266   7.917   7.562
  427   2HE   LYS  54          1HE       LYS  54   1.288   6.741   6.686
  428   1HZ   LYS  54          2HZ       LYS  54  -0.559   7.247   8.191
  429   2HZ   LYS  54          1HZ       LYS  54   0.389   8.431   8.957
  430   3HZ   LYS  54          3HZ       LYS  54  -0.050   8.621   7.329
  431    H    GLU  55           H        GLU  55   3.984   1.794   5.550
  432    HA   GLU  55           HA       GLU  55   6.121   0.887   7.366
  433   1HB   GLU  55          2HB       GLU  55   4.264  -0.475   5.432
  434   2HB   GLU  55          1HB       GLU  55   5.655  -1.318   6.077
  435   1HG   GLU  55          2HG       GLU  55   4.349  -0.011   8.240
  436   2HG   GLU  55          1HG       GLU  55   3.132  -0.902   7.334
  437    H    ASN  56           H        ASN  56   7.803  -0.580   6.331
  438    HA   ASN  56           HA       ASN  56   9.015   0.840   4.025
  439   1HB   ASN  56          2HB       ASN  56  10.034  -0.372   6.385
  440   2HB   ASN  56          1HB       ASN  56  10.714  -1.198   4.992
  441   1HD2  ASN  56          2HD2      ASN  56  12.595   1.624   3.891
  442   2HD2  ASN  56          1HD2      ASN  56  11.978   0.109   3.439
  443    CH2  TRP  57           CH2      TRP  57   1.625  -4.333   2.384
  444    H    TRP  57           H        TRP  57   7.328  -2.052   4.787
  445    HA   TRP  57           HA       TRP  57   8.460  -3.650   2.669
  446   1HB   TRP  57          2HB       TRP  57   6.896  -5.320   3.324
  447   2HB   TRP  57          1HB       TRP  57   7.437  -4.558   4.792
  448    HD1  TRP  57           HD1      TRP  57   5.700  -3.415   6.242
  449    HE1  TRP  57           HE1      TRP  57   3.148  -3.221   6.156
  450    HE3  TRP  57           HE3      TRP  57   4.848  -4.988   1.481
  451    HZ2  TRP  57           HZ2      TRP  57   1.009  -3.608   4.314
  452    HZ3  TRP  57           HZ3      TRP  57   2.547  -5.040   0.577
  453    HH2  TRP  57           HH2      TRP  57   0.624  -4.362   1.981
  454    H    VAL  58           H        VAL  58   5.615  -1.599   3.088
  455    HA   VAL  58           HA       VAL  58   4.331  -2.325   0.613
  456    HB   VAL  58           HB       VAL  58   4.189   0.021   2.478
  457   1HG1  VAL  58          1HG1      VAL  58   3.013  -0.125  -0.299
  458   2HG1  VAL  58          3HG1      VAL  58   2.295   0.873   0.967
  459   3HG1  VAL  58          2HG1      VAL  58   3.944   1.189   0.424
  460   1HG2  VAL  58          2HG2      VAL  58   2.391  -2.196   1.566
  461   2HG2  VAL  58          1HG2      VAL  58   2.855  -1.746   3.206
  462   3HG2  VAL  58          3HG2      VAL  58   1.709  -0.753   2.311
  463    H    GLN  59           H        GLN  59   6.716   0.189   1.443
  464    HA   GLN  59           HA       GLN  59   6.834   1.217  -1.262
  465   1HB   GLN  59          2HB       GLN  59   8.660   2.591  -0.463
  466   2HB   GLN  59          1HB       GLN  59   7.356   2.612   0.720
  467   1HG   GLN  59          2HG       GLN  59   8.518   0.787   1.947
  468   2HG   GLN  59          1HG       GLN  59   9.858   0.933   0.817
  469   1HE2  GLN  59          2HE2      GLN  59  11.171   3.853   2.346
  470   2HE2  GLN  59          1HE2      GLN  59  11.303   2.747   1.065
  471    NH1  ARG  60           NH1      ARG  60  14.448  -2.077   3.055
  472    NH2  ARG  60           NH2      ARG  60  15.440  -3.641   1.746
  473    H    ARG  60           H        ARG  60   8.526  -1.280   0.528
  474    HA   ARG  60           HA       ARG  60  10.655  -1.551  -1.473
  475   1HB   ARG  60          2HB       ARG  60   9.847  -3.014   1.025
  476   2HB   ARG  60          1HB       ARG  60  10.907  -3.818  -0.129
  477   1HG   ARG  60          2HG       ARG  60  11.614  -1.015   0.570
  478   2HG   ARG  60          1HG       ARG  60  11.842  -2.220   1.838
  479   1HD   ARG  60          2HD       ARG  60  13.093  -3.623   0.126
  480   2HD   ARG  60          1HD       ARG  60  13.052  -2.217  -0.938
  481    HE   ARG  60           HE       ARG  60  14.654  -1.156   0.464
  482   1HH1  ARG  60          2HH1      ARG  60  13.887  -1.254   3.148
  483   2HH1  ARG  60          1HH1      ARG  60  14.809  -2.529   3.872
  484   1HH2  ARG  60          1HH2      ARG  60  15.639  -4.012   0.839
  485   2HH2  ARG  60          2HH2      ARG  60  15.802  -4.095   2.561
  486    H    VAL  61           H        VAL  61   7.600  -3.137  -0.616
  487    HA   VAL  61           HA       VAL  61   7.749  -5.296  -2.495
  488    HB   VAL  61           HB       VAL  61   5.527  -3.885  -1.029
  489   1HG1  VAL  61          3HG1      VAL  61   5.263  -5.600  -3.430
  490   2HG1  VAL  61          2HG1      VAL  61   4.213  -6.006  -2.074
  491   3HG1  VAL  61          1HG1      VAL  61   4.158  -4.391  -2.780
  492   1HG2  VAL  61          2HG2      VAL  61   6.922  -5.538   0.153
  493   2HG2  VAL  61          1HG2      VAL  61   5.265  -6.118  -0.013
  494   3HG2  VAL  61          3HG2      VAL  61   6.530  -6.747  -1.069
  495    H    VAL  62           H        VAL  62   6.439  -1.992  -2.727
  496    HA   VAL  62           HA       VAL  62   5.445  -2.269  -5.421
  497    HB   VAL  62           HB       VAL  62   6.259   0.169  -3.803
  498   1HG1  VAL  62          1HG1      VAL  62   6.053   0.124  -6.548
  499   2HG1  VAL  62          3HG1      VAL  62   4.405   0.525  -6.070
  500   3HG1  VAL  62          2HG1      VAL  62   5.749   1.540  -5.545
  501   1HG2  VAL  62          1HG2      VAL  62   4.186  -1.459  -3.327
  502   2HG2  VAL  62          3HG2      VAL  62   4.055   0.288  -3.126
  503   3HG2  VAL  62          2HG2      VAL  62   3.452  -0.478  -4.596
  504    H    GLU  63           H        GLU  63   8.575  -1.236  -4.061
  505    HA   GLU  63           HA       GLU  63   9.733  -0.441  -6.552
  506   1HB   GLU  63          2HB       GLU  63  10.630  -0.819  -3.796
  507   2HB   GLU  63          1HB       GLU  63  11.851  -1.320  -4.965
  508   1HG   GLU  63          2HG       GLU  63  11.956   0.817  -5.957
  509   2HG   GLU  63          1HG       GLU  63  10.408   1.311  -5.272
  510    H    LYS  64           H        LYS  64   9.839  -3.514  -4.726
  511    HA   LYS  64           HA       LYS  64  11.491  -4.892  -6.608
  512   1HB   LYS  64          2HB       LYS  64  10.709  -5.489  -4.128
  513   2HB   LYS  64          1HB       LYS  64   9.468  -6.391  -5.000
  514   1HG   LYS  64          2HG       LYS  64  11.009  -7.833  -5.976
  515   2HG   LYS  64          1HG       LYS  64  12.328  -6.667  -5.863
  516   1HD   LYS  64          2HD       LYS  64  11.120  -7.657  -3.314
  517   2HD   LYS  64          1HD       LYS  64  12.176  -8.753  -4.205
  518   1HE   LYS  64          2HE       LYS  64  13.389  -6.151  -4.159
  519   2HE   LYS  64          1HE       LYS  64  12.936  -6.591  -2.513
  520   1HZ   LYS  64          2HZ       LYS  64  14.504  -8.291  -4.380
  521   2HZ   LYS  64          1HZ       LYS  64  15.148  -7.392  -3.090
  522   3HZ   LYS  64          3HZ       LYS  64  14.096  -8.683  -2.777
  523    H    PHE  65           H        PHE  65   8.034  -4.286  -6.420
  524    HA   PHE  65           HA       PHE  65   7.280  -6.248  -8.427
  525   1HB   PHE  65          2HB       PHE  65   5.832  -5.134  -6.573
  526   2HB   PHE  65          1HB       PHE  65   5.674  -3.801  -7.709
  527    HD1  PHE  65           HD1      PHE  65   5.414  -7.558  -7.651
  528    HD2  PHE  65           HD2      PHE  65   3.917  -3.852  -9.224
  529    HE1  PHE  65           HE1      PHE  65   3.651  -8.790  -8.881
  530    HE2  PHE  65           HE2      PHE  65   2.157  -5.083 -10.455
  531    HZ   PHE  65           HZ       PHE  65   2.022  -7.554 -10.286
  532    H    LEU  66           H        LEU  66   7.682  -2.685  -8.435
  533    HA   LEU  66           HA       LEU  66   7.205  -2.520 -11.318
  534   1HB   LEU  66          2HB       LEU  66   6.741  -0.692  -9.554
  535   2HB   LEU  66          1HB       LEU  66   8.473  -0.364  -9.626
  536    HG   LEU  66           HG       LEU  66   8.084  -0.297 -12.217
  537   1HD1  LEU  66          3HD1      LEU  66   5.302   0.231 -11.125
  538   2HD1  LEU  66          2HD1      LEU  66   5.812   0.559 -12.781
  539   3HD1  LEU  66          1HD1      LEU  66   5.774  -1.100 -12.183
  540   1HD2  LEU  66          2HD2      LEU  66   8.749   1.637 -10.828
  541   2HD2  LEU  66          1HD2      LEU  66   7.583   2.118 -12.062
  542   3HD2  LEU  66          3HD2      LEU  66   7.061   1.902 -10.390
  543    H    LYS  67           H        LYS  67  10.082  -1.896  -9.269
  544    HA   LYS  67           HA       LYS  67  12.355  -2.144  -9.694
  545   1HB   LYS  67          2HB       LYS  67  11.279  -3.887 -11.921
  546   2HB   LYS  67          1HB       LYS  67  13.002  -3.658 -11.638
  547   1HG   LYS  67          2HG       LYS  67  11.392  -4.345  -9.244
  548   2HG   LYS  67          1HG       LYS  67  11.545  -5.619 -10.452
  549   1HD   LYS  67          2HD       LYS  67  14.053  -4.173  -9.821
  550   2HD   LYS  67          1HD       LYS  67  13.397  -5.155  -8.511
  551   1HE   LYS  67          2HE       LYS  67  13.211  -7.068 -10.152
  552   2HE   LYS  67          1HE       LYS  67  14.094  -6.077 -11.312
  553   1HZ   LYS  67          3HZ       LYS  67  15.072  -6.858  -8.617
  554   2HZ   LYS  67          2HZ       LYS  67  15.565  -7.557 -10.085
  555   3HZ   LYS  67          1HZ       LYS  67  15.926  -5.931  -9.753
  556    NH1  ARG  68           NH1      ARG  68  13.322  -3.150 -18.952
  557    NH2  ARG  68           NH2      ARG  68  15.384  -4.028 -18.610
  558    H    ARG  68           H        ARG  68  11.369  -2.175 -13.136
  559    HA   ARG  68           HA       ARG  68  12.958   0.317 -13.489
  560   1HB   ARG  68          2HB       ARG  68  11.822  -1.568 -15.575
  561   2HB   ARG  68          1HB       ARG  68  12.913  -0.221 -15.882
  562   1HG   ARG  68          2HG       ARG  68  14.473  -1.415 -14.155
  563   2HG   ARG  68          1HG       ARG  68  13.486  -2.834 -14.502
  564   1HD   ARG  68          2HD       ARG  68  14.472  -1.275 -16.842
  565   2HD   ARG  68          1HD       ARG  68  15.666  -2.217 -15.952
  566    HE   ARG  68           HE       ARG  68  13.701  -4.064 -16.316
  567   1HH1  ARG  68          2HH1      ARG  68  12.476  -2.757 -18.589
  568   2HH1  ARG  68          1HH1      ARG  68  13.435  -3.264 -19.940
  569   1HH2  ARG  68          1HH2      ARG  68  16.116  -4.306 -17.987
  570   2HH2  ARG  68          2HH2      ARG  68  15.500  -4.145 -19.597
  571    H    ALA  69           H        ALA  69  12.045   1.934 -15.069
  572    HA   ALA  69           HA       ALA  69   9.186   1.997 -15.561
  573   1HB   ALA  69          1HB       ALA  69   9.545   2.594 -13.036
  574   2HB   ALA  69          3HB       ALA  69  10.122   4.139 -13.661
  575   3HB   ALA  69          2HB       ALA  69   8.477   3.607 -14.007
  576    H    GLU  70           H        GLU  70  11.804   4.381 -14.915
  577    HA   GLU  70           HA       GLU  70  11.710   5.181 -17.771
  578   1HB   GLU  70          2HB       GLU  70  10.793   6.836 -15.480
  579   2HB   GLU  70          1HB       GLU  70  11.845   7.647 -16.640
  580   1HG   GLU  70          2HG       GLU  70  10.265   6.547 -18.427
  581   2HG   GLU  70          1HG       GLU  70   9.135   6.427 -17.078
  582    H    ASN  71           H        ASN  71  13.156   6.217 -14.648
  583    HA   ASN  71           HA       ASN  71  15.385   6.527 -14.020
  584   1HB   ASN  71          2HB       ASN  71  15.781   4.658 -16.370
  585   2HB   ASN  71          1HB       ASN  71  17.126   5.264 -15.406
  586   1HD2  ASN  71          2HD2      ASN  71  16.641   2.728 -13.026
  587   2HD2  ASN  71          1HD2      ASN  71  17.723   3.696 -13.905
  588    H    SER  72           H        SER  72  17.559   7.435 -14.944
  589    HA   SER  72           HA       SER  72  17.146   9.104 -17.364
  590   1HB   SER  72          2HB       SER  72  17.444  10.128 -14.564
  591   2HB   SER  72          1HB       SER  72  18.205  11.030 -15.872
  592    HG   SER  72           HG       SER  72  15.530  10.648 -15.268
  593   1HC   CH3  25          1H        LEU  25   0.894  -2.756 -10.837
  594   2HC   CH3  25          2H        LEU  25  -0.160  -3.824 -11.760
  595   3HC   CH3  25          3H        LEU  25  -0.678  -2.181 -11.390
   
  Start of MODEL          30
 Raw file had  595 H/Q atoms
  Start of MODEL   30
    1   1H    GLU   4          1H        GLU   4 -13.873  17.853   0.076
    2   2H    GLU   4          3H        GLU   4 -15.162  17.427   1.092
    3   3H    GLU   4          2H        GLU   4 -13.566  17.340   1.665
    4    HA   GLU   4           HA       GLU   4 -14.348  15.134   1.172
    5   1HB   GLU   4          2HB       GLU   4 -15.244  16.525  -1.296
    6   2HB   GLU   4          1HB       GLU   4 -14.611  14.895  -1.516
    7   1HG   GLU   4          2HG       GLU   4 -16.155  14.268   0.484
    8   2HG   GLU   4          1HG       GLU   4 -16.973  15.789   0.125
    9    H    LEU   5           H        LEU   5 -12.742  13.632   0.593
   10    HA   LEU   5           HA       LEU   5 -10.229  14.826  -0.487
   11   1HB   LEU   5          2HB       LEU   5 -10.723  12.301   1.122
   12   2HB   LEU   5          1HB       LEU   5  -9.148  12.788   0.498
   13    HG   LEU   5           HG       LEU   5  -9.876  15.083   1.742
   14   1HD1  LEU   5          1HD1      LEU   5 -11.366  12.820   3.043
   15   2HD1  LEU   5          3HD1      LEU   5 -10.728  14.124   4.045
   16   3HD1  LEU   5          2HD1      LEU   5 -11.887  14.481   2.764
   17   1HD2  LEU   5          2HD2      LEU   5  -8.566  12.637   2.972
   18   2HD2  LEU   5          1HD2      LEU   5  -7.758  13.928   2.083
   19   3HD2  LEU   5          3HD2      LEU   5  -8.479  14.259   3.658
   20    NH1  ARG   6           NH2      ARG   6 -13.376  13.073  -7.073
   21    NH2  ARG   6           NH1      ARG   6 -12.423  13.452  -9.094
   22    H    ARG   6           H        ARG   6  -8.960  13.474  -2.009
   23    HA   ARG   6           HA       ARG   6 -10.745  12.113  -3.920
   24   1HB   ARG   6          2HB       ARG   6  -8.017  13.278  -4.039
   25   2HB   ARG   6          1HB       ARG   6  -8.409  11.990  -5.167
   26   1HG   ARG   6          2HG       ARG   6 -10.295  14.308  -4.809
   27   2HG   ARG   6          1HG       ARG   6  -8.894  14.463  -5.869
   28   1HD   ARG   6          2HD       ARG   6  -9.633  12.646  -7.254
   29   2HD   ARG   6          1HD       ARG   6 -10.889  12.196  -6.099
   30    HE   ARG   6           HE       ARG   6 -11.115  14.920  -7.196
   31   1HH1  ARG   6          1HH2      ARG   6 -13.331  13.106  -6.074
   32   2HH1  ARG   6          2HH2      ARG   6 -14.195  12.717  -7.524
   33   1HH2  ARG   6          2HH1      ARG   6 -11.650  13.777  -9.641
   34   2HH2  ARG   6          1HH1      ARG   6 -13.241  13.098  -9.547
   35    H    CYS   7           H        CYS   7  -8.296  11.332  -1.617
   36    HA   CYS   7           HA       CYS   7  -7.272   8.913  -2.518
   37   1HB   CYS   7          2HB       CYS   7  -7.816  10.017   0.184
   38   2HB   CYS   7          1HB       CYS   7  -7.516   8.288   0.078
   39    H    GLN   8           H        GLN   8  -8.198   6.979  -3.039
   40    HA   GLN   8           HA       GLN   8 -11.042   6.547  -2.502
   41   1HB   GLN   8          2HB       GLN   8 -10.753   4.534  -3.869
   42   2HB   GLN   8          1HB       GLN   8 -10.046   5.924  -4.679
   43   1HG   GLN   8          2HG       GLN   8  -7.876   5.181  -4.356
   44   2HG   GLN   8          1HG       GLN   8  -8.287   4.281  -2.896
   45   1HE2  GLN   8          2HE2      GLN   8  -8.997   1.283  -4.638
   46   2HE2  GLN   8          1HE2      GLN   8  -8.935   2.070  -3.136
   47    H    CYS   9           H        CYS   9  -8.292   6.056  -0.642
   48    HA   CYS   9           HA       CYS   9  -9.666   3.883   0.869
   49   1HB   CYS   9          2HB       CYS   9  -6.993   3.821  -0.351
   50   2HB   CYS   9          1HB       CYS   9  -6.999   3.391   1.353
   51    H    ILE  10           H        ILE  10 -10.312   5.063   2.635
   52    HA   ILE  10           HA       ILE  10  -8.712   7.170   3.834
   53    HB   ILE  10           HB       ILE  10 -11.014   5.554   4.999
   54   1HG1  ILE  10          2HG1      ILE  10 -11.344   8.384   4.145
   55   2HG1  ILE  10          1HG1      ILE  10 -11.146   7.209   2.847
   56   1HG2  ILE  10          2HG2      ILE  10  -9.595   8.067   5.910
   57   2HG2  ILE  10          1HG2      ILE  10 -11.212   7.640   6.469
   58   3HG2  ILE  10          3HG2      ILE  10  -9.849   6.575   6.817
   59   1HD1  ILE  10          1HD1      ILE  10 -12.972   5.838   3.870
   60   2HD1  ILE  10          3HD1      ILE  10 -13.219   7.118   5.056
   61   3HD1  ILE  10          2HD1      ILE  10 -13.518   7.431   3.347
   62    H    LYS  11           H        LYS  11  -9.061   3.704   4.262
   63    HA   LYS  11           HA       LYS  11  -6.904   3.743   6.337
   64   1HB   LYS  11          2HB       LYS  11  -7.797   1.486   7.003
   65   2HB   LYS  11          1HB       LYS  11  -8.947   2.794   7.271
   66   1HG   LYS  11          2HG       LYS  11 -10.164   2.231   5.257
   67   2HG   LYS  11          1HG       LYS  11  -8.934   1.060   4.782
   68   1HD   LYS  11          2HD       LYS  11 -10.147   0.675   7.470
   69   2HD   LYS  11          1HD       LYS  11 -11.196   0.359   6.088
   70   1HE   LYS  11          2HE       LYS  11  -8.419  -0.771   6.067
   71   2HE   LYS  11          1HE       LYS  11  -9.646  -1.557   7.059
   72   1HZ   LYS  11          3HZ       LYS  11 -11.076  -1.630   5.057
   73   2HZ   LYS  11          2HZ       LYS  11  -9.775  -1.037   4.139
   74   3HZ   LYS  11          1HZ       LYS  11  -9.659  -2.548   4.905
   75    H    THR  12           H        THR  12  -5.198   2.141   6.018
   76    HA   THR  12           HA       THR  12  -5.172   1.021   3.245
   77    HB   THR  12           HB       THR  12  -2.519   1.253   3.880
   78    HG1  THR  12           HG1      THR  12  -3.680   3.698   4.658
   79   1HG2  THR  12          1HG2      THR  12  -4.388   3.121   2.423
   80   2HG2  THR  12          3HG2      THR  12  -2.632   3.260   2.353
   81   3HG2  THR  12          2HG2      THR  12  -3.426   1.810   1.742
   82    OH   TYR  13           OH       TYR  13  -3.029  -8.707   4.246
   83    H    TYR  13           H        TYR  13  -3.073  -0.564   3.211
   84    HA   TYR  13           HA       TYR  13  -3.858  -2.758   5.011
   85   1HB   TYR  13          2HB       TYR  13  -3.445  -2.871   2.437
   86   2HB   TYR  13          1HB       TYR  13  -1.741  -2.890   2.874
   87    HD1  TYR  13           HD1      TYR  13  -4.285  -4.396   5.060
   88    HD2  TYR  13           HD2      TYR  13  -1.385  -5.102   1.973
   89    HE1  TYR  13           HE1      TYR  13  -4.406  -6.837   5.513
   90    HE2  TYR  13           HE2      TYR  13  -1.503  -7.547   2.424
   91    HH   TYR  13           HH       TYR  13  -3.843  -9.040   3.865
   92    H    SER  14           H        SER  14  -2.736  -3.191   6.833
   93    HA   SER  14           HA       SER  14  -0.031  -1.997   7.186
   94   1HB   SER  14          2HB       SER  14  -2.047  -1.870   8.903
   95   2HB   SER  14          1HB       SER  14  -1.476  -3.470   9.364
   96    HG   SER  14           HG       SER  14  -0.321  -0.984   9.711
   97    H    LYS  15           H        LYS  15  -1.719  -5.096   7.056
   98    HA   LYS  15           HA       LYS  15   0.604  -6.645   7.862
   99   1HB   LYS  15          2HB       LYS  15  -1.389  -8.019   6.189
  100   2HB   LYS  15          1HB       LYS  15  -0.745  -8.469   7.751
  101   1HG   LYS  15          2HG       LYS  15  -2.192  -6.660   8.777
  102   2HG   LYS  15          1HG       LYS  15  -2.967  -6.492   7.202
  103   1HD   LYS  15          2HD       LYS  15  -3.952  -8.596   7.307
  104   2HD   LYS  15          1HD       LYS  15  -2.740  -9.221   8.426
  105   1HE   LYS  15          2HE       LYS  15  -3.662  -7.653  10.175
  106   2HE   LYS  15          1HE       LYS  15  -4.967  -7.265   9.054
  107   1HZ   LYS  15          3HZ       LYS  15  -5.532  -9.629   8.984
  108   2HZ   LYS  15          2HZ       LYS  15  -4.313  -9.959  10.121
  109   3HZ   LYS  15          1HZ       LYS  15  -5.647  -9.003  10.557
  110    HA   PRO  16           HA       PRO  16   2.520  -6.465   3.896
  111   1HB   PRO  16          2HB       PRO  16   4.570  -8.172   4.489
  112   2HB   PRO  16          1HB       PRO  16   4.489  -6.516   5.072
  113   1HG   PRO  16          2HG       PRO  16   4.080  -9.037   6.581
  114   2HG   PRO  16          1HG       PRO  16   4.523  -7.431   7.184
  115   1HD   PRO  16          2HD       PRO  16   1.922  -8.647   7.247
  116   2HD   PRO  16          1HD       PRO  16   2.340  -6.995   7.737
  117    H    PHE  17           H        PHE  17   3.067  -7.897   2.080
  118    HA   PHE  17           HA       PHE  17   2.461 -10.729   2.203
  119   1HB   PHE  17          2HB       PHE  17   0.454 -10.819   0.912
  120   2HB   PHE  17          1HB       PHE  17   0.160  -9.651   2.193
  121    HD1  PHE  17           HD1      PHE  17   0.638  -7.127   1.597
  122    HD2  PHE  17           HD2      PHE  17   0.048 -10.239  -1.307
  123    HE1  PHE  17           HE1      PHE  17   0.055  -5.427  -0.112
  124    HE2  PHE  17           HE2      PHE  17  -0.530  -8.537  -3.013
  125    HZ   PHE  17           HZ       PHE  17  -0.528  -6.133  -2.414
  126    H    HIS  18           H        HIS  18   2.925 -11.825   0.195
  127    HA   HIS  18           HA       HIS  18   5.105 -10.706  -1.265
  128   1HB   HIS  18          2HB       HIS  18   5.065 -13.037  -1.038
  129   2HB   HIS  18          1HB       HIS  18   3.393 -13.146  -1.572
  130    HD1  HIS  18           HD1      HIS  18   6.898 -12.930  -2.858
  131    HD2  HIS  18           HD2      HIS  18   3.027 -12.870  -4.327
  132    HE1  HIS  18           HE1      HIS  18   7.072 -13.237  -5.375
  133    HA   PRO  19           HA       PRO  19   3.073  -8.199  -4.213
  134   1HB   PRO  19          2HB       PRO  19   5.154  -7.893  -5.965
  135   2HB   PRO  19          1HB       PRO  19   5.033  -7.067  -4.403
  136   1HG   PRO  19          2HG       PRO  19   6.741  -9.380  -5.184
  137   2HG   PRO  19          1HG       PRO  19   7.028  -8.138  -3.955
  138   1HD   PRO  19          2HD       PRO  19   6.144 -10.764  -3.451
  139   2HD   PRO  19          1HD       PRO  19   6.069  -9.414  -2.304
  140    H    LYS  20           H        LYS  20   4.915 -10.865  -5.814
  141    HA   LYS  20           HA       LYS  20   3.801 -10.662  -8.347
  142   1HB   LYS  20          2HB       LYS  20   5.495 -12.411  -7.376
  143   2HB   LYS  20          1HB       LYS  20   4.050 -13.404  -7.290
  144   1HG   LYS  20          2HG       LYS  20   4.225 -13.832  -9.488
  145   2HG   LYS  20          1HG       LYS  20   3.999 -12.114  -9.815
  146   1HD   LYS  20          2HD       LYS  20   6.570 -12.009  -9.120
  147   2HD   LYS  20          1HD       LYS  20   6.532 -13.694  -9.637
  148   1HE   LYS  20          2HE       LYS  20   6.977 -12.709 -11.674
  149   2HE   LYS  20          1HE       LYS  20   5.217 -12.626 -11.711
  150   1HZ   LYS  20          3HZ       LYS  20   5.342 -10.387 -10.802
  151   2HZ   LYS  20          2HZ       LYS  20   7.040 -10.470 -10.786
  152   3HZ   LYS  20          1HZ       LYS  20   6.198 -10.497 -12.262
  153    H    PHE  21           H        PHE  21   2.101 -11.763  -5.480
  154    HA   PHE  21           HA       PHE  21  -0.075 -13.120  -6.722
  155   1HB   PHE  21          2HB       PHE  21  -0.157 -11.374  -4.286
  156   2HB   PHE  21          1HB       PHE  21  -1.343 -12.579  -4.716
  157    HD1  PHE  21           HD2      PHE  21   0.893 -14.581  -5.761
  158    HD2  PHE  21           HD1      PHE  21   0.287 -12.395  -2.110
  159    HE1  PHE  21           HE2      PHE  21   2.194 -16.286  -4.518
  160    HE2  PHE  21           HE1      PHE  21   1.584 -14.103  -0.871
  161    HZ   PHE  21           HZ       PHE  21   2.536 -16.052  -2.075
  162    H    ILE  22           H        ILE  22   0.593  -9.722  -6.108
  163    HA   ILE  22           HA       ILE  22  -1.916  -8.619  -6.947
  164    HB   ILE  22           HB       ILE  22   0.861  -7.392  -7.062
  165   1HG1  ILE  22          2HG1      ILE  22  -1.101  -6.785  -4.890
  166   2HG1  ILE  22          1HG1      ILE  22  -0.257  -8.332  -4.811
  167   1HG2  ILE  22          2HG2      ILE  22  -1.927  -6.277  -7.253
  168   2HG2  ILE  22          1HG2      ILE  22  -0.577  -5.273  -6.731
  169   3HG2  ILE  22          3HG2      ILE  22  -0.565  -6.006  -8.335
  170   1HD1  ILE  22          3HD1      ILE  22   1.779  -6.578  -5.453
  171   2HD1  ILE  22          2HD1      ILE  22   0.775  -5.620  -4.365
  172   3HD1  ILE  22          1HD1      ILE  22   1.423  -7.171  -3.831
  173    H    LYS  23           H        LYS  23  -2.755  -8.537  -8.951
  174    HA   LYS  23           HA       LYS  23  -1.056  -9.213 -11.274
  175   1HB   LYS  23          2HB       LYS  23  -3.586  -9.941 -10.703
  176   2HB   LYS  23          1HB       LYS  23  -3.923  -8.472 -11.621
  177   1HG   LYS  23          2HG       LYS  23  -2.093  -9.541 -13.260
  178   2HG   LYS  23          1HG       LYS  23  -2.681 -11.033 -12.526
  179   1HD   LYS  23          2HD       LYS  23  -4.783  -9.116 -13.358
  180   2HD   LYS  23          1HD       LYS  23  -3.860  -9.844 -14.673
  181   1HE   LYS  23          2HE       LYS  23  -4.342 -12.008 -13.030
  182   2HE   LYS  23          1HE       LYS  23  -5.827 -11.072 -12.867
  183   1HZ   LYS  23          2HZ       LYS  23  -5.931 -10.969 -15.313
  184   2HZ   LYS  23          1HZ       LYS  23  -4.579 -11.996 -15.398
  185   3HZ   LYS  23          3HZ       LYS  23  -6.027 -12.557 -14.716
  186    H    GLU  24           H        GLU  24  -2.486  -6.416  -9.744
  187    HA   GLU  24           HA       GLU  24  -1.267  -4.702 -11.827
  188   1HB   GLU  24          2HB       GLU  24  -3.611  -5.017 -12.543
  189   2HB   GLU  24          1HB       GLU  24  -4.169  -4.465 -10.965
  190   1HG   GLU  24          2HG       GLU  24  -4.239  -2.425 -11.966
  191   2HG   GLU  24          1HG       GLU  24  -2.502  -2.421 -11.666
  192    HA   LEU  25           HA       LEU  25  -0.894  -2.643  -7.840
  193   1HB   LEU  25          2HB       LEU  25   1.114  -3.874  -7.486
  194   2HB   LEU  25          1HB       LEU  25   1.919  -3.110  -8.857
  195    HG   LEU  25           HG       LEU  25   0.965  -1.155  -6.895
  196   1HD1  LEU  25          1HD1      LEU  25   1.819  -3.438  -5.679
  197   2HD1  LEU  25          3HD1      LEU  25   3.337  -2.557  -5.851
  198   3HD1  LEU  25          2HD1      LEU  25   1.985  -1.824  -4.989
  199   1HD2  LEU  25          2HD2      LEU  25   3.073  -1.525  -8.791
  200   2HD2  LEU  25          1HD2      LEU  25   2.649  -0.060  -7.908
  201   3HD2  LEU  25          3HD2      LEU  25   3.808  -1.199  -7.222
  202    NH1  ARG  26           NH1      ARG  26  -7.295   0.378 -11.294
  203    NH2  ARG  26           NH2      ARG  26  -7.937   2.071  -9.930
  204    H    ARG  26           H        ARG  26  -1.813  -0.622  -8.204
  205    HA   ARG  26           HA       ARG  26  -0.083   1.316  -9.667
  206   1HB   ARG  26          2HB       ARG  26  -2.295   2.529 -10.188
  207   2HB   ARG  26          1HB       ARG  26  -1.987   1.031 -11.064
  208   1HG   ARG  26          2HG       ARG  26  -3.555  -0.178  -9.817
  209   2HG   ARG  26          1HG       ARG  26  -3.497   0.952  -8.463
  210   1HD   ARG  26          2HD       ARG  26  -4.624   2.663  -9.830
  211   2HD   ARG  26          1HD       ARG  26  -4.672   1.547 -11.195
  212    HE   ARG  26           HE       ARG  26  -5.953   0.556  -8.738
  213   1HH1  ARG  26          1HH1      ARG  26  -8.144   0.472 -11.815
  214   2HH1  ARG  26          2HH1      ARG  26  -6.625  -0.318 -11.555
  215   1HH2  ARG  26          1HH2      ARG  26  -7.757   2.670  -9.149
  216   2HH2  ARG  26          2HH2      ARG  26  -8.787   2.169 -10.449
  217    H    VAL  27           H        VAL  27   0.428   3.177  -8.548
  218    HA   VAL  27           HA       VAL  27  -0.785   3.512  -5.853
  219    HB   VAL  27           HB       VAL  27   1.207   5.090  -5.548
  220   1HG1  VAL  27          1HG1      VAL  27   1.121   2.807  -4.625
  221   2HG1  VAL  27          3HG1      VAL  27   1.746   2.169  -6.144
  222   3HG1  VAL  27          2HG1      VAL  27   2.755   3.216  -5.145
  223   1HG2  VAL  27          1HG2      VAL  27   1.571   5.188  -8.111
  224   2HG2  VAL  27          3HG2      VAL  27   3.000   5.034  -7.088
  225   3HG2  VAL  27          2HG2      VAL  27   2.354   3.619  -7.918
  226    H    ILE  28           H        ILE  28  -1.436   5.668  -5.157
  227    HA   ILE  28           HA       ILE  28  -2.451   7.313  -7.426
  228    HB   ILE  28           HB       ILE  28  -3.093   7.641  -4.481
  229   1HG1  ILE  28          2HG1      ILE  28  -4.789   6.133  -6.482
  230   2HG1  ILE  28          1HG1      ILE  28  -3.615   5.311  -5.454
  231   1HG2  ILE  28          3HG2      ILE  28  -4.309   8.594  -7.077
  232   2HG2  ILE  28          2HG2      ILE  28  -5.232   8.577  -5.575
  233   3HG2  ILE  28          1HG2      ILE  28  -3.773   9.558  -5.701
  234   1HD1  ILE  28          3HD1      ILE  28  -5.194   7.133  -3.866
  235   2HD1  ILE  28          2HD1      ILE  28  -6.253   6.052  -4.770
  236   3HD1  ILE  28          1HD1      ILE  28  -5.021   5.387  -3.699
  237    H    GLU  29           H        GLU  29  -2.079   9.620  -7.453
  238    HA   GLU  29           HA       GLU  29   0.518  10.387  -6.318
  239   1HB   GLU  29          2HB       GLU  29   0.044  12.559  -7.527
  240   2HB   GLU  29          1HB       GLU  29   0.131  11.145  -8.558
  241   1HG   GLU  29          2HG       GLU  29  -2.000  11.440  -9.248
  242   2HG   GLU  29          1HG       GLU  29  -2.577  11.548  -7.585
  243    H    SER  30           H        SER  30   0.629  12.654  -5.304
  244    HA   SER  30           HA       SER  30  -1.585  12.893  -3.309
  245   1HB   SER  30          2HB       SER  30   0.373  14.278  -2.130
  246   2HB   SER  30          1HB       SER  30   0.242  12.534  -1.963
  247    HG   SER  30           HG       SER  30   2.027  14.085  -3.450
  248    H    GLY  31           H        GLY  31  -2.150  15.066  -2.622
  249   1HA   GLY  31          2HA       GLY  31  -1.233  17.446  -3.941
  250   2HA   GLY  31          1HA       GLY  31  -2.703  16.873  -4.721
  251    HA   PRO  32           HA       PRO  32  -4.162  19.377  -1.151
  252   1HB   PRO  32          2HB       PRO  32  -6.232  20.533  -2.564
  253   2HB   PRO  32          1HB       PRO  32  -4.598  21.216  -2.483
  254   1HG   PRO  32          2HG       PRO  32  -5.912  19.741  -4.726
  255   2HG   PRO  32          1HG       PRO  32  -4.651  20.985  -4.786
  256   1HD   PRO  32          2HD       PRO  32  -4.210  18.227  -5.087
  257   2HD   PRO  32          1HD       PRO  32  -2.959  19.428  -4.699
  258    H    HIS  33           H        HIS  33  -5.847  17.471  -3.577
  259    HA   HIS  33           HA       HIS  33  -8.255  16.869  -2.171
  260   1HB   HIS  33          2HB       HIS  33  -8.333  14.868  -3.697
  261   2HB   HIS  33          1HB       HIS  33  -8.078  16.380  -4.551
  262    HD1  HIS  33           HD1      HIS  33  -5.614  16.854  -5.433
  263    HD2  HIS  33           HD2      HIS  33  -6.170  13.037  -3.847
  264    HE1  HIS  33           HE1      HIS  33  -3.531  15.535  -6.000
  265    H    CYS  34           H        CYS  34  -5.073  15.302  -2.207
  266    HA   CYS  34           HA       CYS  34  -5.638  14.047   0.360
  267   1HB   CYS  34          2HB       CYS  34  -6.286  12.418  -1.627
  268   2HB   CYS  34          1HB       CYS  34  -4.535  12.250  -1.784
  269    H    ALA  35           H        ALA  35  -3.946  15.156   1.329
  270    HA   ALA  35           HA       ALA  35  -1.420  15.687   0.089
  271   1HB   ALA  35          1HB       ALA  35  -2.189  15.556   3.018
  272   2HB   ALA  35          3HB       ALA  35  -0.645  16.166   2.425
  273   3HB   ALA  35          2HB       ALA  35  -2.141  16.998   2.003
  274    H    ASN  36           H        ASN  36  -2.525  13.011   2.143
  275    HA   ASN  36           HA       ASN  36   0.140  11.803   2.243
  276   1HB   ASN  36          2HB       ASN  36  -2.594  11.065   3.256
  277   2HB   ASN  36          1HB       ASN  36  -1.334   9.836   3.185
  278   1HD2  ASN  36          2HD2      ASN  36  -0.256  10.961   6.356
  279   2HD2  ASN  36          1HD2      ASN  36  -0.831   9.663   5.426
  280    H    THR  37           H        THR  37   0.956  10.466   0.715
  281    HA   THR  37           HA       THR  37  -0.588   9.761  -1.647
  282    HB   THR  37           HB       THR  37   2.080   8.567  -0.859
  283    HG1  THR  37           HG1      THR  37   2.838  10.508  -0.925
  284   1HG2  THR  37          3HG2      THR  37   0.787   9.263  -3.510
  285   2HG2  THR  37          2HG2      THR  37   2.414   8.610  -3.323
  286   3HG2  THR  37          1HG2      THR  37   1.016   7.639  -2.858
  287    H    GLU  38           H        GLU  38  -1.395   7.689  -2.217
  288    HA   GLU  38           HA       GLU  38  -1.255   5.602  -0.076
  289   1HB   GLU  38          2HB       GLU  38  -3.557   7.055  -0.937
  290   2HB   GLU  38          1HB       GLU  38  -3.732   5.397  -1.510
  291   1HG   GLU  38          2HG       GLU  38  -4.675   5.661   0.761
  292   2HG   GLU  38          1HG       GLU  38  -3.306   4.550   0.763
  293    H    ILE  39           H        ILE  39  -1.087   3.470  -0.815
  294    HA   ILE  39           HA       ILE  39  -0.474   3.195  -3.715
  295    HB   ILE  39           HB       ILE  39   0.082   1.449  -1.294
  296   1HG1  ILE  39          2HG1      ILE  39   2.372   2.148  -2.884
  297   2HG1  ILE  39          1HG1      ILE  39   1.458   3.615  -2.538
  298   1HG2  ILE  39          2HG2      ILE  39   0.609   0.924  -4.231
  299   2HG2  ILE  39          1HG2      ILE  39   1.435   0.065  -2.932
  300   3HG2  ILE  39          3HG2      ILE  39  -0.312  -0.080  -3.111
  301   1HD1  ILE  39          2HD1      ILE  39   1.662   1.869  -0.204
  302   2HD1  ILE  39          1HD1      ILE  39   3.243   2.361  -0.810
  303   3HD1  ILE  39          3HD1      ILE  39   2.052   3.581  -0.359
  304    H    ILE  40           H        ILE  40  -1.335   1.199  -4.819
  305    HA   ILE  40           HA       ILE  40  -3.761   0.008  -3.618
  306    HB   ILE  40           HB       ILE  40  -3.879   1.324  -6.351
  307   1HG1  ILE  40          2HG1      ILE  40  -5.291   2.189  -3.811
  308   2HG1  ILE  40          1HG1      ILE  40  -3.810   2.944  -4.398
  309   1HG2  ILE  40          3HG2      ILE  40  -5.937  -0.072  -4.612
  310   2HG2  ILE  40          2HG2      ILE  40  -6.321   0.804  -6.094
  311   3HG2  ILE  40          1HG2      ILE  40  -5.307  -0.637  -6.160
  312   1HD1  ILE  40          1HD1      ILE  40  -6.167   2.648  -6.241
  313   2HD1  ILE  40          3HD1      ILE  40  -6.116   3.977  -5.083
  314   3HD1  ILE  40          2HD1      ILE  40  -4.851   3.820  -6.302
  315    H    VAL  41           H        VAL  41  -4.019  -2.092  -4.306
  316    HA   VAL  41           HA       VAL  41  -2.493  -3.015  -6.662
  317    HB   VAL  41           HB       VAL  41  -1.791  -4.997  -5.332
  318   1HG1  VAL  41          2HG1      VAL  41  -0.356  -2.931  -5.680
  319   2HG1  VAL  41          1HG1      VAL  41  -0.832  -2.439  -4.054
  320   3HG1  VAL  41          3HG1      VAL  41   0.082  -3.929  -4.294
  321   1HG2  VAL  41          1HG2      VAL  41  -3.663  -4.328  -3.537
  322   2HG2  VAL  41          3HG2      VAL  41  -2.237  -5.268  -3.096
  323   3HG2  VAL  41          2HG2      VAL  41  -2.276  -3.531  -2.795
  324    H    LYS  42           H        LYS  42  -3.294  -5.191  -7.374
  325    HA   LYS  42           HA       LYS  42  -6.101  -5.711  -6.500
  326   1HB   LYS  42          2HB       LYS  42  -5.102  -4.979  -9.139
  327   2HB   LYS  42          1HB       LYS  42  -5.937  -6.534  -9.176
  328   1HG   LYS  42          2HG       LYS  42  -7.779  -5.359  -7.792
  329   2HG   LYS  42          1HG       LYS  42  -7.007  -3.854  -8.291
  330   1HD   LYS  42          2HD       LYS  42  -8.436  -4.064 -10.072
  331   2HD   LYS  42          1HD       LYS  42  -7.141  -5.091 -10.687
  332   1HE   LYS  42          2HE       LYS  42  -8.935  -6.535 -10.927
  333   2HE   LYS  42          1HE       LYS  42  -8.425  -6.958  -9.293
  334   1HZ   LYS  42          1HZ       LYS  42 -10.051  -5.342  -8.446
  335   2HZ   LYS  42          3HZ       LYS  42 -10.582  -5.053 -10.032
  336   3HZ   LYS  42          2HZ       LYS  42 -10.784  -6.589  -9.336
  337    H    LEU  43           H        LEU  43  -5.668  -7.538  -5.281
  338    HA   LEU  43           HA       LEU  43  -3.760  -9.544  -5.799
  339   1HB   LEU  43          2HB       LEU  43  -6.366  -9.512  -4.313
  340   2HB   LEU  43          1HB       LEU  43  -5.464 -11.006  -4.475
  341    HG   LEU  43           HG       LEU  43  -4.245  -8.439  -3.423
  342   1HD1  LEU  43          2HD1      LEU  43  -5.412 -10.789  -1.900
  343   2HD1  LEU  43          1HD1      LEU  43  -4.458  -9.494  -1.176
  344   3HD1  LEU  43          3HD1      LEU  43  -6.026  -9.136  -1.900
  345   1HD2  LEU  43          2HD2      LEU  43  -3.365 -11.324  -3.610
  346   2HD2  LEU  43          1HD2      LEU  43  -2.518  -9.881  -4.165
  347   3HD2  LEU  43          3HD2      LEU  43  -2.640 -10.223  -2.439
  348    H    SER  44           H        SER  44  -3.866 -11.536  -6.834
  349    HA   SER  44           HA       SER  44  -5.247 -11.726  -9.285
  350   1HB   SER  44          2HB       SER  44  -3.709 -13.646  -7.588
  351   2HB   SER  44          1HB       SER  44  -4.650 -14.285  -8.934
  352    HG   SER  44           HG       SER  44  -2.409 -13.609  -9.380
  353    H    ASP  45           H        ASP  45  -6.340 -12.556  -6.075
  354    HA   ASP  45           HA       ASP  45  -8.419 -14.366  -6.971
  355   1HB   ASP  45          2HB       ASP  45  -7.948 -13.001  -4.310
  356   2HB   ASP  45          1HB       ASP  45  -9.203 -14.205  -4.601
  357    H    GLY  46           H        GLY  46  -8.215 -11.280  -7.751
  358   1HA   GLY  46          2HA       GLY  46  -9.869  -9.783  -8.492
  359   2HA   GLY  46          1HA       GLY  46 -11.092 -10.886  -7.865
  360    NH1  ARG  47           NH2      ARG  47 -10.870  -7.299   0.902
  361    NH2  ARG  47           NH1      ARG  47 -12.710  -8.563   0.505
  362    H    ARG  47           H        ARG  47  -8.393  -9.560  -5.971
  363    HA   ARG  47           HA       ARG  47 -10.437  -8.193  -4.259
  364   1HB   ARG  47          2HB       ARG  47  -8.883 -10.122  -3.401
  365   2HB   ARG  47          1HB       ARG  47  -7.647  -8.870  -3.372
  366   1HG   ARG  47          2HG       ARG  47  -8.498  -8.644  -1.227
  367   2HG   ARG  47          1HG       ARG  47  -9.537  -7.510  -2.085
  368   1HD   ARG  47          2HD       ARG  47 -11.365  -8.957  -2.071
  369   2HD   ARG  47          1HD       ARG  47 -10.353 -10.392  -1.901
  370    HE   ARG  47           HE       ARG  47 -10.211  -9.975   0.459
  371   1HH1  ARG  47          1HH2      ARG  47  -9.879  -7.170   0.847
  372   2HH1  ARG  47          2HH2      ARG  47 -11.443  -6.592   1.317
  373   1HH2  ARG  47          2HH1      ARG  47 -13.125  -9.399   0.145
  374   2HH2  ARG  47          1HH1      ARG  47 -13.286  -7.858   0.918
  375    H    GLU  48           H        GLU  48  -9.715  -6.135  -3.258
  376    HA   GLU  48           HA       GLU  48  -7.569  -4.730  -4.785
  377   1HB   GLU  48          2HB       GLU  48  -9.994  -4.165  -5.520
  378   2HB   GLU  48          1HB       GLU  48 -10.126  -3.346  -3.964
  379   1HG   GLU  48          2HG       GLU  48  -8.680  -1.671  -4.567
  380   2HG   GLU  48          1HG       GLU  48  -7.696  -2.737  -5.568
  381    H    LEU  49           H        LEU  49  -6.055  -4.400  -3.215
  382    HA   LEU  49           HA       LEU  49  -7.015  -3.402  -0.554
  383   1HB   LEU  49          2HB       LEU  49  -5.273  -5.624  -1.243
  384   2HB   LEU  49          1HB       LEU  49  -4.441  -4.454  -0.221
  385    HG   LEU  49           HG       LEU  49  -6.580  -4.521   1.244
  386   1HD1  LEU  49          2HD1      LEU  49  -6.883  -7.004  -0.462
  387   2HD1  LEU  49          1HD1      LEU  49  -7.664  -6.819   1.109
  388   3HD1  LEU  49          3HD1      LEU  49  -8.066  -5.721  -0.211
  389   1HD2  LEU  49          1HD2      LEU  49  -4.275  -5.538   1.710
  390   2HD2  LEU  49          3HD2      LEU  49  -5.630  -6.280   2.558
  391   3HD2  LEU  49          2HD2      LEU  49  -4.941  -7.066   1.138
  392    H    CYS  50           H        CYS  50  -6.311  -1.363  -0.111
  393    HA   CYS  50           HA       CYS  50  -4.176  -0.174  -1.739
  394   1HB   CYS  50          2HB       CYS  50  -5.474   1.121   0.595
  395   2HB   CYS  50          1HB       CYS  50  -4.763   1.884  -0.796
  396    H    LEU  51           H        LEU  51  -2.117   0.208  -0.944
  397    HA   LEU  51           HA       LEU  51  -1.489  -1.114   1.606
  398   1HB   LEU  51          2HB       LEU  51   0.381  -0.170  -0.553
  399   2HB   LEU  51          1HB       LEU  51   0.797  -1.158   0.825
  400    HG   LEU  51           HG       LEU  51  -0.715  -1.920  -1.643
  401   1HD1  LEU  51          3HD1      LEU  51   1.706  -2.481  -1.200
  402   2HD1  LEU  51          2HD1      LEU  51   1.162  -3.479   0.146
  403   3HD1  LEU  51          1HD1      LEU  51   0.678  -3.882  -1.500
  404   1HD2  LEU  51          3HD2      LEU  51  -1.241  -2.956   1.140
  405   2HD2  LEU  51          2HD2      LEU  51  -2.398  -2.595  -0.141
  406   3HD2  LEU  51          1HD2      LEU  51  -1.387  -4.035  -0.246
  407    H    ASP  52           H        ASP  52  -0.060  -0.195   3.086
  408    HA   ASP  52           HA       ASP  52  -0.264   2.766   3.283
  409   1HB   ASP  52          2HB       ASP  52  -1.088   1.056   5.101
  410   2HB   ASP  52          1HB       ASP  52   0.620   0.941   5.512
  411    HA   PRO  53           HA       PRO  53   4.107   2.674   2.288
  412   1HB   PRO  53          2HB       PRO  53   4.401   5.417   2.308
  413   2HB   PRO  53          1HB       PRO  53   3.788   4.490   0.928
  414   1HG   PRO  53          2HG       PRO  53   2.273   6.153   2.900
  415   2HG   PRO  53          1HG       PRO  53   1.912   5.822   1.197
  416   1HD   PRO  53          2HD       PRO  53   0.645   4.583   3.359
  417   2HD   PRO  53          1HD       PRO  53   0.687   3.939   1.704
  418    H    LYS  54           H        LYS  54   2.571   3.593   5.179
  419    HA   LYS  54           HA       LYS  54   4.677   4.806   6.635
  420   1HB   LYS  54          2HB       LYS  54   2.158   3.369   7.307
  421   2HB   LYS  54          1HB       LYS  54   3.364   3.504   8.586
  422   1HG   LYS  54          2HG       LYS  54   3.301   5.857   8.571
  423   2HG   LYS  54          1HG       LYS  54   2.581   5.919   6.963
  424   1HD   LYS  54          2HD       LYS  54   0.754   6.403   8.352
  425   2HD   LYS  54          1HD       LYS  54   0.575   4.670   8.076
  426   1HE   LYS  54          2HE       LYS  54   0.331   4.845  10.406
  427   2HE   LYS  54          1HE       LYS  54   2.033   4.420  10.228
  428   1HZ   LYS  54          2HZ       LYS  54   1.079   7.224  10.396
  429   2HZ   LYS  54          1HZ       LYS  54   1.546   6.323  11.759
  430   3HZ   LYS  54          3HZ       LYS  54   2.675   6.655  10.538
  431    H    GLU  55           H        GLU  55   4.021   1.429   5.804
  432    HA   GLU  55           HA       GLU  55   6.072   0.437   7.669
  433   1HB   GLU  55          2HB       GLU  55   4.198  -0.821   5.691
  434   2HB   GLU  55          1HB       GLU  55   5.574  -1.730   6.271
  435   1HG   GLU  55          2HG       GLU  55   4.357  -0.486   8.519
  436   2HG   GLU  55          1HG       GLU  55   3.091  -1.288   7.599
  437    H    ASN  56           H        ASN  56   7.714  -1.116   6.637
  438    HA   ASN  56           HA       ASN  56   9.087   0.324   4.438
  439   1HB   ASN  56          2HB       ASN  56   9.933  -1.042   6.796
  440   2HB   ASN  56          1HB       ASN  56  10.673  -1.794   5.390
  441   1HD2  ASN  56          2HD2      ASN  56  13.046   0.791   5.168
  442   2HD2  ASN  56          1HD2      ASN  56  12.689  -0.860   5.001
  443    CH2  TRP  57           CH2      TRP  57   1.557  -4.496   2.420
  444    H    TRP  57           H        TRP  57   7.241  -2.505   5.019
  445    HA   TRP  57           HA       TRP  57   8.401  -4.076   2.888
  446   1HB   TRP  57          2HB       TRP  57   6.754  -5.709   3.437
  447   2HB   TRP  57          1HB       TRP  57   7.292  -5.027   4.943
  448    HD1  TRP  57           HD1      TRP  57   5.568  -3.852   6.398
  449    HE1  TRP  57           HE1      TRP  57   3.027  -3.549   6.259
  450    HE3  TRP  57           HE3      TRP  57   4.772  -5.249   1.573
  451    HZ2  TRP  57           HZ2      TRP  57   0.920  -3.804   4.356
  452    HZ3  TRP  57           HZ3      TRP  57   2.495  -5.184   0.614
  453    HH2  TRP  57           HH2      TRP  57   0.565  -4.473   1.993
  454    H    VAL  58           H        VAL  58   5.617  -1.952   3.321
  455    HA   VAL  58           HA       VAL  58   4.351  -2.524   0.802
  456    HB   VAL  58           HB       VAL  58   4.269  -0.289   2.793
  457   1HG1  VAL  58          3HG1      VAL  58   3.198  -0.150  -0.027
  458   2HG1  VAL  58          2HG1      VAL  58   2.532   0.821   1.286
  459   3HG1  VAL  58          1HG1      VAL  58   4.217   1.025   0.806
  460   1HG2  VAL  58          2HG2      VAL  58   2.409  -2.342   1.667
  461   2HG2  VAL  58          1HG2      VAL  58   2.764  -1.958   3.351
  462   3HG2  VAL  58          3HG2      VAL  58   1.742  -0.885   2.399
  463    H    GLN  59           H        GLN  59   6.783  -0.099   1.782
  464    HA   GLN  59           HA       GLN  59   7.032   1.015  -0.870
  465   1HB   GLN  59          2HB       GLN  59   8.954   2.217   0.040
  466   2HB   GLN  59          1HB       GLN  59   7.577   2.329   1.131
  467   1HG   GLN  59          2HG       GLN  59   8.483   0.446   2.436
  468   2HG   GLN  59          1HG       GLN  59   9.879   0.392   1.368
  469   1HE2  GLN  59          2HE2      GLN  59   9.520   3.578   3.959
  470   2HE2  GLN  59          1HE2      GLN  59   8.121   2.746   3.476
  471    NH1  ARG  60           NH1      ARG  60  15.335  -3.833   3.236
  472    NH2  ARG  60           NH2      ARG  60  14.762  -5.962   2.709
  473    H    ARG  60           H        ARG  60   8.497  -1.675   0.818
  474    HA   ARG  60           HA       ARG  60  10.717  -1.980  -1.073
  475   1HB   ARG  60          2HB       ARG  60   9.729  -3.363   1.349
  476   2HB   ARG  60          1HB       ARG  60  10.426  -4.434   0.136
  477   1HG   ARG  60          2HG       ARG  60  12.430  -2.889   0.056
  478   2HG   ARG  60          1HG       ARG  60  11.752  -2.052   1.454
  479   1HD   ARG  60          2HD       ARG  60  12.263  -3.754   2.886
  480   2HD   ARG  60          1HD       ARG  60  11.887  -5.001   1.697
  481    HE   ARG  60           HE       ARG  60  14.206  -4.003   0.689
  482   1HH1  ARG  60          2HH1      ARG  60  15.247  -2.849   3.081
  483   2HH1  ARG  60          1HH1      ARG  60  15.948  -4.173   3.949
  484   1HH2  ARG  60          1HH2      ARG  60  14.236  -6.605   2.151
  485   2HH2  ARG  60          2HH2      ARG  60  15.374  -6.306   3.422
  486    H    VAL  61           H        VAL  61   7.545  -3.456  -0.464
  487    HA   VAL  61           HA       VAL  61   7.614  -5.404  -2.556
  488    HB   VAL  61           HB       VAL  61   5.399  -3.963  -1.089
  489   1HG1  VAL  61          1HG1      VAL  61   5.215  -5.542  -3.569
  490   2HG1  VAL  61          3HG1      VAL  61   4.143  -6.082  -2.278
  491   3HG1  VAL  61          2HG1      VAL  61   4.058  -4.419  -2.857
  492   1HG2  VAL  61          3HG2      VAL  61   6.739  -5.703   0.081
  493   2HG2  VAL  61          2HG2      VAL  61   5.047  -6.165  -0.093
  494   3HG2  VAL  61          1HG2      VAL  61   6.267  -6.867  -1.155
  495    H    VAL  62           H        VAL  62   6.501  -2.024  -2.498
  496    HA   VAL  62           HA       VAL  62   5.571  -1.943  -5.215
  497    HB   VAL  62           HB       VAL  62   6.542   0.214  -3.317
  498   1HG1  VAL  62          1HG1      VAL  62   5.445   0.461  -6.130
  499   2HG1  VAL  62          3HG1      VAL  62   5.433   1.794  -4.974
  500   3HG1  VAL  62          2HG1      VAL  62   6.965   1.102  -5.507
  501   1HG2  VAL  62          2HG2      VAL  62   4.268  -1.190  -3.175
  502   2HG2  VAL  62          1HG2      VAL  62   4.314   0.531  -2.794
  503   3HG2  VAL  62          3HG2      VAL  62   3.755  -0.006  -4.378
  504    H    GLU  63           H        GLU  63   8.762  -1.381  -3.738
  505    HA   GLU  63           HA       GLU  63  10.027  -0.432  -6.126
  506   1HB   GLU  63          2HB       GLU  63  10.840  -1.170  -3.420
  507   2HB   GLU  63          1HB       GLU  63  12.026  -1.666  -4.627
  508   1HG   GLU  63          2HG       GLU  63  11.926   0.665  -5.576
  509   2HG   GLU  63          1HG       GLU  63  10.912   1.120  -4.207
  510    H    LYS  64           H        LYS  64   9.950  -3.676  -4.597
  511    HA   LYS  64           HA       LYS  64  11.460  -4.981  -6.620
  512   1HB   LYS  64          2HB       LYS  64  10.515  -5.760  -4.223
  513   2HB   LYS  64          1HB       LYS  64   9.305  -6.515  -5.260
  514   1HG   LYS  64          2HG       LYS  64  11.159  -7.545  -6.591
  515   2HG   LYS  64          1HG       LYS  64  12.310  -6.886  -5.428
  516   1HD   LYS  64          2HD       LYS  64  11.121  -8.124  -3.611
  517   2HD   LYS  64          1HD       LYS  64  10.081  -8.855  -4.833
  518   1HE   LYS  64          2HE       LYS  64  11.685 -10.494  -4.764
  519   2HE   LYS  64          1HE       LYS  64  12.479  -9.428  -5.921
  520   1HZ   LYS  64          1HZ       LYS  64  12.918  -9.423  -2.982
  521   2HZ   LYS  64          3HZ       LYS  64  13.975 -10.075  -4.137
  522   3HZ   LYS  64          2HZ       LYS  64  13.688  -8.401  -4.102
  523    H    PHE  65           H        PHE  65   8.027  -4.185  -6.384
  524    HA   PHE  65           HA       PHE  65   7.257  -5.798  -8.691
  525   1HB   PHE  65          2HB       PHE  65   5.862  -4.919  -6.612
  526   2HB   PHE  65          1HB       PHE  65   5.615  -3.520  -7.650
  527    HD1  PHE  65           HD1      PHE  65   5.038  -4.199 -10.206
  528    HD2  PHE  65           HD2      PHE  65   4.294  -6.631  -6.750
  529    HE1  PHE  65           HE1      PHE  65   3.295  -5.440 -11.456
  530    HE2  PHE  65           HE2      PHE  65   2.552  -7.872  -8.001
  531    HZ   PHE  65           HZ       PHE  65   2.051  -7.277 -10.354
  532    H    LEU  66           H        LEU  66   7.761  -2.310  -8.057
  533    HA   LEU  66           HA       LEU  66   7.162  -1.501 -10.773
  534   1HB   LEU  66          2HB       LEU  66   7.215  -0.105  -8.537
  535   2HB   LEU  66          1HB       LEU  66   8.908   0.137  -8.964
  536    HG   LEU  66           HG       LEU  66   7.783   0.664 -11.359
  537   1HD1  LEU  66          2HD1      LEU  66   5.501   0.258 -10.221
  538   2HD1  LEU  66          1HD1      LEU  66   5.768   1.804  -9.418
  539   3HD1  LEU  66          3HD1      LEU  66   5.674   1.730 -11.177
  540   1HD2  LEU  66          1HD2      LEU  66   8.143   2.511  -8.983
  541   2HD2  LEU  66          3HD2      LEU  66   9.288   2.199 -10.287
  542   3HD2  LEU  66          2HD2      LEU  66   7.808   3.101 -10.610
  543    H    LYS  67           H        LYS  67  10.140  -2.429  -9.089
  544    HA   LYS  67           HA       LYS  67  12.118  -1.440 -10.793
  545   1HB   LYS  67          2HB       LYS  67  12.552  -2.765  -8.726
  546   2HB   LYS  67          1HB       LYS  67  12.072  -4.224  -9.590
  547   1HG   LYS  67          2HG       LYS  67  14.488  -4.079  -9.658
  548   2HG   LYS  67          1HG       LYS  67  13.879  -3.734 -11.276
  549   1HD   LYS  67          2HD       LYS  67  14.255  -1.404 -11.043
  550   2HD   LYS  67          1HD       LYS  67  14.427  -1.524  -9.292
  551   1HE   LYS  67          2HE       LYS  67  16.656  -1.371  -9.939
  552   2HE   LYS  67          1HE       LYS  67  16.440  -3.121  -9.904
  553   1HZ   LYS  67          2HZ       LYS  67  16.136  -1.425 -12.325
  554   2HZ   LYS  67          1HZ       LYS  67  17.522  -2.330 -11.945
  555   3HZ   LYS  67          3HZ       LYS  67  16.056  -3.122 -12.262
  556    NH1  ARG  68           NH1      ARG  68  14.822  -8.855 -10.491
  557    NH2  ARG  68           NH2      ARG  68  14.052 -10.629 -11.672
  558    H    ARG  68           H        ARG  68  10.404  -4.580 -11.226
  559    HA   ARG  68           HA       ARG  68  11.045  -4.350 -14.139
  560   1HB   ARG  68          2HB       ARG  68  10.921  -7.036 -13.877
  561   2HB   ARG  68          1HB       ARG  68  12.424  -6.130 -13.773
  562   1HG   ARG  68          2HG       ARG  68  12.495  -6.269 -11.428
  563   2HG   ARG  68          1HG       ARG  68  10.765  -6.594 -11.302
  564   1HD   ARG  68          2HD       ARG  68  11.703  -8.709 -10.921
  565   2HD   ARG  68          1HD       ARG  68  11.320  -8.766 -12.640
  566    HE   ARG  68           HE       ARG  68  13.790  -8.090 -12.972
  567   1HH1  ARG  68          2HH1      ARG  68  14.846  -7.869 -10.326
  568   2HH1  ARG  68          1HH1      ARG  68  15.364  -9.470  -9.918
  569   1HH2  ARG  68          1HH2      ARG  68  13.488 -10.999 -12.410
  570   2HH2  ARG  68          2HH2      ARG  68  14.594 -11.246 -11.100
  571    H    ALA  69           H        ALA  69   9.483  -5.216 -15.564
  572    HA   ALA  69           HA       ALA  69   7.038  -6.467 -14.606
  573   1HB   ALA  69          1HB       ALA  69   7.058  -3.728 -14.306
  574   2HB   ALA  69          3HB       ALA  69   6.329  -3.914 -15.901
  575   3HB   ALA  69          2HB       ALA  69   5.602  -4.705 -14.502
  576    H    GLU  70           H        GLU  70   6.175  -7.617 -16.297
  577    HA   GLU  70           HA       GLU  70   7.419  -7.313 -18.950
  578   1HB   GLU  70          2HB       GLU  70   6.176  -9.365 -19.524
  579   2HB   GLU  70          1HB       GLU  70   7.073  -9.573 -18.021
  580   1HG   GLU  70          2HG       GLU  70   5.159  -9.594 -16.717
  581   2HG   GLU  70          1HG       GLU  70   4.250  -8.589 -17.847
  582    H    ASN  71           H        ASN  71   5.920  -7.413 -20.915
  583    HA   ASN  71           HA       ASN  71   4.292  -6.383 -22.237
  584   1HB   ASN  71          2HB       ASN  71   2.885  -7.209 -19.762
  585   2HB   ASN  71          1HB       ASN  71   2.067  -5.970 -20.713
  586   1HD2  ASN  71          2HD2      ASN  71   1.190  -8.189 -23.325
  587   2HD2  ASN  71          1HD2      ASN  71   1.150  -6.594 -22.746
  588    H    SER  72           H        SER  72   5.673  -4.440 -22.245
  589    HA   SER  72           HA       SER  72   5.079  -2.284 -20.354
  590   1HB   SER  72          2HB       SER  72   7.326  -2.740 -21.579
  591   2HB   SER  72          1HB       SER  72   6.571  -1.944 -22.956
  592    HG   SER  72           HG       SER  72   7.810  -0.665 -21.254
  593   1HC   CH3  25          1H        LEU  25  -0.492  -2.034 -11.392
  594   2HC   CH3  25          2H        LEU  25   1.109  -2.541 -10.852
  595   3HC   CH3  25          3H        LEU  25   0.110  -3.641 -11.797
   
   
  No H/Q in entry =         595