*HEADER    ANTIFUNGAL PROTEIN                      07-DEC-99   1DKC              
*TITLE     SOLUTION STRUCTURE OF PAFP-S, AN ANTIFUNGAL PEPTIDE FROM              
*TITLE    2 THE SEEDS OF PHYTOLACCA AMERICANA                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIFUNGAL PEPTIDE;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PAFP-S                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PHYTOLACCA AMERICANA;                           
*SOURCE   3 ORGANISM_COMMON: POKEWEED;                                           
*SOURCE   4 OTHER_DETAILS: SEED                                                  
*KEYWDS    THREE-STRANDS BETA SHEET                                              
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    D.WANG, G.GAO, F.SHAO, J.DAI, J.WANG                                  
*REVDAT   1   13-DEC-00 1DKC    0 
set message=off echo=off end

!long
assign (resid    4 and  name HN   )(resid   20 and  name HN   ) 2.7 0.9 0.8
assign (resid   10 and  name HN   )(resid   32 and  name HD#  ) 4.0 2.2 3.4
assign (resid   10 and  name HN   )(resid   35 and  name HN   ) 3.5 1.7 1.5
assign (resid   25 and  name HB2  )(resid   34 and  name HG#  ) 3.4 1.6 3.0
assign (resid   25 and  name HB2  )(resid   34 and  name HN   ) 3.2 1.4 0.3
assign (resid   26 and  name HA   )(resid   33 and  name HA#  ) 2.4 0.6 1.3
assign (resid   26 and  name HA   )(resid   34 and  name HN   ) 3.5 1.7 1.5
assign (resid   26 and  name HB1  )(resid   33 and  name HA#  ) 2.7 0.9 1.8
assign (resid   26 and  name HB1  )(resid   34 and  name HN   ) 3.6 1.8 1.4
assign (resid   23 and  name HE#  )(resid   25 and  name HB1  ) 3.0 1.2 2.9
assign (resid   27 and  name HB   )(resid   32 and  name HD#  ) 3.1 1.3 2.8

assign (resid    8 and  name HN   )(resid   35 and  name HN   ) 3.3 1.5 0.2
assign (resid    9 and  name HA   )(resid   34 and  name HA   ) 2.3 0.5 0.4
assign (resid    9 and  name HG#  )(resid   34 and  name HA   ) 4.6 2.8 1.4
assign (resid    9 and  name HB#  )(resid   34 and  name HA   ) 4.2 2.4 1.8
assign (resid    9 and  name HA   )(resid   34 and  name HG#  ) 4.6 2.8 3.3
assign (resid    9 and  name HA   )(resid   35 and  name HN   ) 3.2 1.4 0.3
assign (resid   10 and  name HN   )(resid   33 and  name HN   ) 3.3 1.5 0.2
assign (resid   10 and  name HN   )(resid   34 and  name HA   ) 3.2 1.4 0.3
assign (resid   11 and  name HB#  )(resid   32 and  name HA   ) 3.8 2.0 2.2
assign (resid   19 and  name HB2  )(resid   35 and  name HA   ) 3.6 1.8 1.4
assign (resid   19 and  name HB1  )(resid   35 and  name HA   ) 3.0 1.2 0.5
assign (resid   19 and  name HB1  )(resid   35 and  name HB2  ) 2.7 0.9 0.8
assign (resid   19 and  name HB2  )(resid   35 and  name HB1  ) 2.9 1.1 0.6
assign (resid   19 and  name HA   )(resid   35 and  name HB1  ) 3.5 1.7 1.5
assign (resid   23 and  name HD#  )(resid   36 and  name HN   ) 3.6 1.8 3.8
assign (resid   23 and  name HD#  )(resid   36 and  name HB#  ) 3.4 1.6 3.5
assign (resid   23 and  name HE#  )(resid   36 and  name HB#  ) 3.5 1.7 4.9
assign (resid   23 and  name HN   )(resid   36 and  name HN   ) 3.3 1.5 0.2
assign (resid   23 and  name HD#  )(resid   38 and  name HN   ) 3.9 2.1 3.5
assign (resid   23 and  name HD#  )(resid   38 and  name HA   ) 3.0 1.2 2.9
assign (resid   23 and  name HD#  )(resid   38 and  name HB#  ) 3.9 2.1 4.5
assign (resid   23 and  name HD#  )(resid   38 and  name HG#  ) 3.7 1.9 4.7
assign (resid   23 and  name HE#  )(resid   38 and  name HA   ) 3.3 1.5 2.6
assign (resid   23 and  name HE#  )(resid   38 and  name HB#  ) 4.1 2.3 4.3
assign (resid   23 and  name HE#  )(resid   38 and  name HG#  ) 4.0 2.2 4.4
assign (resid   24 and  name HA   )(resid   35 and  name HA   ) 2.3 0.5 0.4
assign (resid   24 and  name HA   )(resid   36 and  name HN   ) 3.2 1.4 0.3
assign (resid   25 and  name HB1  )(resid   34 and  name HG#  ) 4.2 2.4 3.7
assign (resid   25 and  name HB1  )(resid   34 and  name HN   ) 3.6 1.8 1.4
assign (resid   25 and  name HD#  )(resid   34 and  name HN   ) 3.6 1.8 3.8
assign (resid   25 and  name HN   )(resid   34 and  name HN   ) 3.3 1.5 0.2
assign (resid   25 and  name HN   )(resid   35 and  name HA   ) 3.2 1.4 0.3
assign (resid   26 and  name HB2  )(resid   33 and  name HA#  ) 3.0 1.2 1.5
assign (resid   26 and  name HG#  )(resid   33 and  name HA#  ) 3.3 1.5 2.2
assign (resid   26 and  name HA   )(resid   34 and  name HN   ) 3.2 1.4 0.3
assign (resid   27 and  name HN   )(resid   33 and  name HA#  ) 3.2 1.4 1.3

!medium
assign (resid   20 and  name HN   )(resid   22 and  name HN   ) 3.7 1.9 1.3
assign (resid   20 and  name HN   )(resid   23 and  name HN   ) 4.4 2.6 0.6
assign (resid   21 and  name HN   )(resid   23 and  name HN   ) 3.3 1.5 0.2
assign (resid   23 and  name HD#  )(resid   25 and  name HA   ) 4.9 3.1 2.5
assign (resid   23 and  name HD#  )(resid   25 and  name HB2  ) 4.7 2.9 2.7
assign (resid   23 and  name HD#  )(resid   25 and  name HB1  ) 3.7 1.9 3.7
assign (resid   23 and  name HE#  )(resid   25 and  name HA   ) 3.5 1.7 3.9
assign (resid   23 and  name HE#  )(resid   25 and  name HB2  ) 3.6 1.8 3.8
assign (resid   25 and  name HE#  )(resid   27 and  name HA   ) 4.4 2.6 3.0
assign (resid   25 and  name HD#  )(resid   27 and  name HD#  ) 4.5 2.7 4.4
assign (resid   25 and  name HD#  )(resid   27 and  name HG2# ) 4.5 2.7 4.4
assign (resid   25 and  name HE#  )(resid   27 and  name HD#  ) 3.9 2.1 5.0
assign (resid   25 and  name HE#  )(resid   27 and  name HG2# ) 3.9 2.1 5.0
assign (resid   27 and  name HB   )(resid   32 and  name HE#  ) 3.6 1.8 3.8
assign (resid   27 and  name HG1# )(resid   32 and  name HE#  ) 3.8 2.0 5.1
assign (resid   27 and  name HG2# )(resid   32 and  name HE#  ) 4.6 2.8 4.3
assign (resid   27 and  name HD#  )(resid   32 and  name HE#  ) 4.6 2.8 4.3
assign (resid   27 and  name HN   )(resid   32 and  name HN   ) 3.3 1.5 0.2
assign (resid   30 and  name HB#  )(resid   32 and  name HE#  ) 3.8 2.0 4.6
assign (resid   30 and  name HG#  )(resid   32 and  name HE#  ) 3.9 2.1 4.5
assign (resid   30 and  name HB#  )(resid   32 and  name HD#  ) 4.0 2.2 4.4

!sequential
assign (resid    1 and  name HB#  )(resid    2 and  name HN   ) 3.1 1.3 1.9
assign (resid    1 and  name HA   )(resid    2 and  name HN   ) 2.5 0.7 0.2
assign (resid    2 and  name HA#  )(resid    3 and  name HN   ) 2.4 0.6 1.3
assign (resid    3 and  name HA   )(resid    4 and  name HN   ) 2.2 0.4 0.5
assign (resid    3 and  name HB#  )(resid    4 and  name HN   ) 2.4 0.6 1.3
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 4.2 2.4 0.8
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 2.4 0.6 0.3
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 4.3 2.5 0.7
assign (resid    8 and  name HA#  )(resid    9 and  name HN   ) 2.3 0.5 1.4
assign (resid    9 and  name HA   )(resid   10 and  name HN   ) 2.2 0.4 0.5
assign (resid    9 and  name HB#  )(resid   10 and  name HA   ) 4.3 2.5 1.7
assign (resid    9 and  name HG#  )(resid   10 and  name HA   ) 4.0 2.2 2.0
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 4.2 2.4 0.8
assign (resid   10 and  name HA   )(resid   11 and  name HN   ) 2.6 0.8 0.1
assign (resid   10 and  name HB2  )(resid   11 and  name HN   ) 2.5 0.7 0.2
assign (resid   10 and  name HB1  )(resid   11 and  name HN   ) 2.7 0.9 0.8
assign (resid   11 and  name HB#  )(resid   12 and  name HN   ) 3.3 1.5 1.2
assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 2.8 1.0 0.7
assign (resid   12 and  name HB#  )(resid   13 and  name HN   ) 3.6 1.8 2.9
assign (resid   12 and  name HB#  )(resid   13 and  name HA   ) 4.3 2.5 2.2
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 2.8 1.0 0.7
assign (resid   13 and  name HB#  )(resid   14 and  name HB#  ) 4.2 2.4 3.3
assign (resid   14 and  name HB#  )(resid   15 and  name HN   ) 3.6 1.8 2.9
assign (resid   17 and  name HA   )(resid   18 and  name HD#  ) 4.0 2.2 2.0
assign (resid   17 and  name HD#  )(resid   18 and  name HD#  ) 4.0 2.2 3.0
assign (resid   17 and  name HB#  )(resid   18 and  name HD#  ) 4.2 2.4 2.8
assign (resid   17 and  name HD#  )(resid   18 and  name HE#  ) 4.3 2.5 4.1
assign (resid   17 and  name HB#  )(resid   18 and  name HE#  ) 3.5 1.7 4.9
assign (resid   18 and  name HA   )(resid   19 and  name HN   ) 2.7 0.9 0.8
assign (resid   18 and  name HB2  )(resid   19 and  name HN   ) 2.7 0.9 0.8
assign (resid   18 and  name HD#  )(resid   19 and  name HN   ) 3.6 1.8 3.8
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 3.7 1.9 1.3
assign (resid   19 and  name HA   )(resid   20 and  name HN   ) 2.2 0.4 0.5
assign (resid   19 and  name HB1  )(resid   20 and  name HN   ) 2.8 1.0 0.7
assign (resid   19 and  name HB2  )(resid   20 and  name HN   ) 3.0 1.2 0.5
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 3.9 2.1 1.1
assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 3.1 1.3 0.4
assign (resid   20 and  name HB2  )(resid   21 and  name HN   ) 2.7 0.9 0.8
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 2.7 0.9 0.8
assign (resid   20 and  name HB1  )(resid   21 and  name HN   ) 2.6 0.8 0.1
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 2.5 0.7 0.2
assign (resid   21 and  name HA   )(resid   22 and  name HN   ) 3.6 1.8 1.4
assign (resid   21 and  name HB#  )(resid   22 and  name HN   ) 3.6 1.8 2.4
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 2.7 0.9 0.8
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 2.5 0.7 0.2
assign (resid   23 and  name HD#  )(resid   24 and  name HN   ) 2.9 1.1 3.0
assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 2.1 0.3 0.6
assign (resid   23 and  name HB1  )(resid   24 and  name HN   ) 3.2 1.4 0.3
assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 4.2 2.4 0.8
assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 2.3 0.5 0.4
assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 4.3 2.5 0.7
assign (resid   25 and  name HA   )(resid   26 and  name HN   ) 2.2 0.4 0.5
assign (resid   25 and  name HD#  )(resid   26 and  name HN   ) 3.2 1.4 2.7
assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 4.2 2.4 0.8
assign (resid   26 and  name HA   )(resid   27 and  name HN   ) 2.2 0.4 0.5
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 4.2 2.4 0.8
assign (resid   27 and  name HB   )(resid   28 and  name HN   ) 2.5 0.7 0.2
assign (resid   27 and  name HA   )(resid   28 and  name HN   ) 1.9 0.1 0.8
assign (resid   28 and  name HB#  )(resid   29 and  name HN   ) 2.9 1.1 2.1
assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 2.4 0.6 0.3
assign (resid   30 and  name HB#  )(resid   31 and  name HN   ) 2.6 0.8 1.1
assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 3.4 1.6 0.1
assign (resid   31 and  name HN   )(resid   32 and  name HD#  ) 4.0 2.2 3.4
assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 2.4 0.6 0.3
assign (resid   31 and  name HA   )(resid   32 and  name HN   ) 2.2 0.4 0.5
assign (resid   32 and  name HD#  )(resid   33 and  name HA#  ) 4.4 2.6 4.0
assign (resid   32 and  name HB2  )(resid   33 and  name HN   ) 2.7 0.9 0.8
assign (resid   32 and  name HD#  )(resid   33 and  name HN   ) 3.7 1.9 3.7
assign (resid   32 and  name HA   )(resid   33 and  name HN   ) 2.2 0.4 0.5
assign (resid   32 and  name HN   )(resid   33 and  name HN   ) 4.2 2.4 0.8
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 4.3 2.5 0.7
assign (resid   33 and  name HA#  )(resid   34 and  name HN   ) 2.3 0.5 1.4
assign (resid   34 and  name HA   )(resid   35 and  name HN   ) 2.2 0.4 0.5
assign (resid   34 and  name HB   )(resid   35 and  name HN   ) 3.3 1.5 0.2
assign (resid   34 and  name HG#  )(resid   35 and  name HN   ) 4.0 2.2 3.9
assign (resid   34 and  name HN   )(resid   35 and  name HN   ) 4.3 2.5 0.7
assign (resid   35 and  name HA   )(resid   36 and  name HN   ) 2.1 0.3 0.6
assign (resid   35 and  name HB2  )(resid   36 and  name HN   ) 2.9 1.1 0.6
assign (resid   35 and  name HA   )(resid   36 and  name HA   ) 3.6 1.8 1.4
assign (resid   35 and  name HB1  )(resid   36 and  name HN   ) 2.2 0.4 0.5
assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 4.2 2.4 0.8
assign (resid   36 and  name HZ#  )(resid   37 and  name HN   ) 3.1 1.3 1.4
assign (resid   36 and  name HA   )(resid   37 and  name HN   ) 2.5 0.7 0.2
assign (resid   36 and  name HB1  )(resid   37 and  name HN   ) 2.5 0.7 0.2
assign (resid   37 and  name HB1  )(resid   38 and  name HN   ) 2.5 0.7 0.2
assign (resid   37 and  name HB2  )(resid   38 and  name HN   ) 2.9 1.1 0.6

!intraresidue
!A1
assign (resid    1 and  name HA   )(resid    1 and  name HB#  ) 2.7 0.9 0.8
!G2
assign (resid    2 and  name HN   )(resid    2 and  name HA#  ) 2.6 0.8 0.1
!C3
assign (resid    3 and  name HA   )(resid    3 and  name HB1  ) 2.4 0.6 0.3
assign (resid    3 and  name HA   )(resid    3 and  name HB2  ) 2.4 0.6 0.3
assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 3.2 1.4 0.3
assign (resid    3 and  name HN   )(resid    3 and  name HB1  ) 2.9 1.1 0.6
assign (resid    3 and  name HN   )(resid    3 and  name HB2  ) 3.5 1.7 1.5
!I4
assign (resid    4 and  name HN   )(resid    4 and  name HB   ) 2.2 0.4 0.5
!K5
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 2.1 0.3 0.6
assign (resid    5 and  name HN   )(resid    5 and  name HB#  ) 2.1 0.3 0.6
!N6
assign (resid    6 and  name HA   )(resid    6 and  name HB#  ) 2.6 0.8 0.1
assign (resid    6 and  name HN   )(resid    6 and  name HB#  ) 2.9 1.1 0.6
!G7
assign (resid    7 and  name HN   )(resid    7 and  name HA#  ) 2.7 0.9 0.8
!G8
assign (resid    8 and  name HN   )(resid    8 and  name HA#  ) 2.8 1.0 0.7
!R9
assign (resid    9 and  name HA   )(resid    9 and  name HB#  ) 2.7 0.9 0.8
assign (resid    9 and  name HA   )(resid    9 and  name HG#  ) 3.0 1.2 0.5
assign (resid    9 and  name HA   )(resid    9 and  name HD#  ) 3.0 1.2 0.5
assign (resid    9 and  name HA   )(resid    9 and  name HN   ) 2.8 1.0 0.7
assign (resid    9 and  name HN   )(resid    9 and  name HB#  ) 2.2 0.4 0.5
!C10
assign (resid   10 and  name HA   )(resid   10 and  name HB1  ) 2.3 0.5 0.4
assign (resid   10 and  name HA   )(resid   10 and  name HB2  ) 2.3 0.5 0.4
assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 2.8 1.0 0.7
!N11
assign (resid   11 and  name HA   )(resid   11 and  name HB#  ) 2.8 1.0 0.7
assign (resid   11 and  name HN   )(resid   11 and  name HB#  ) 2.7 0.9 0.8
!A12
assign (resid   12 and  name HA   )(resid   12 and  name HB#  ) 2.7 0.9 0.8
assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 2.8 1.0 0.7
assign (resid   12 and  name HN   )(resid   12 and  name HB#  ) 2.8 1.0 0.7
!S13
assign (resid   13 and  name HA   )(resid   13 and  name HB#  ) 2.4 0.6 0.3
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 2.9 1.1 0.6
assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 3.0 1.2 0.5
!A14
assign (resid   14 and  name HA   )(resid   14 and  name HB#  ) 3.3 1.5 0.2
assign (resid   14 and  name HN   )(resid   14 and  name HB#  ) 3.4 1.6 0.1
!G15
assign (resid   15 and  name HN   )(resid   15 and  name HA#  ) 2.8 1.0 0.7
!P16
assign (resid   16 and  name HA   )(resid   16 and  name HD#  ) 3.0 1.2 0.5
assign (resid   16 and  name HA   )(resid   16 and  name HB#  ) 2.6 0.8 0.1
assign (resid   16 and  name HD#  )(resid   16 and  name HB#  ) 3.3 1.5 0.2
!P17
!Y18
assign (resid   18 and  name HA   )(resid   18 and  name HB1  ) 2.5 0.7 0.2
assign (resid   18 and  name HA   )(resid   18 and  name HB2  ) 2.3 0.5 0.4
assign (resid   18 and  name HD#  )(resid   18 and  name HN   ) 3.3 1.5 0.2
assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 3.2 1.4 0.3
assign (resid   18 and  name HN   )(resid   18 and  name HB1  ) 2.8 1.0 0.7
assign (resid   18 and  name HD#  )(resid   18 and  name HA   ) 2.7 0.9 0.8
assign (resid   18 and  name HD#  )(resid   18 and  name HB1  ) 2.7 0.9 0.8
assign (resid   18 and  name HD#  )(resid   18 and  name HB2  ) 2.6 0.8 0.1
assign (resid   18 and  name HE#  )(resid   18 and  name HB#  ) 4.0 2.2 1.0
!C19
assign (resid   19 and  name HA   )(resid   19 and  name HB1  ) 2.3 0.5 0.4
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 3.1 1.3 0.4
assign (resid   19 and  name HN   )(resid   19 and  name HB1  ) 2.9 1.1 0.6
assign (resid   19 and  name HN   )(resid   19 and  name HB2  ) 2.5 0.7 0.2
!C20
assign (resid   20 and  name HA   )(resid   20 and  name HB2  ) 1.9 0.1 0.8
assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 2.7 0.9 0.8
assign (resid   20 and  name HN   )(resid   20 and  name HB2  ) 2.3 0.5 0.4
assign (resid   20 and  name HN   )(resid   20 and  name HB1  ) 2.5 0.7 0.2
!S21
assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 3.0 1.2 0.5
assign (resid   21 and  name HN   )(resid   21 and  name HB#  ) 3.0 1.2 0.5
!S22
assign (resid   22 and  name HA   )(resid   22 and  name HB#  ) 2.2 0.4 0.5
assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 2.0 0.2 0.7
assign (resid   22 and  name HN   )(resid   22 and  name HB#  ) 2.8 1.0 0.7
!Y23
assign (resid   23 and  name HA   )(resid   23 and  name HB2  ) 2.4 0.6 0.3
assign (resid   23 and  name HD#  )(resid   23 and  name HN   ) 3.6 1.8 1.4
assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 2.7 0.9 0.8
assign (resid   23 and  name HN   )(resid   23 and  name HB1  ) 2.1 0.3 0.6
assign (resid   23 and  name HN   )(resid   23 and  name HB2  ) 2.5 0.7 0.2
assign (resid   23 and  name HD#  )(resid   23 and  name HA   ) 2.4 0.6 0.3
assign (resid   23 and  name HD#  )(resid   23 and  name HB1  ) 2.4 0.6 0.3
assign (resid   23 and  name HD#  )(resid   23 and  name HB2  ) 2.5 0.7 0.2
assign (resid   23 and  name HE#  )(resid   23 and  name HA   ) 3.9 2.1 1.1
assign (resid   23 and  name HE#  )(resid   23 and  name HB1  ) 3.5 1.7 1.5
assign (resid   23 and  name HE#  )(resid   23 and  name HB2  ) 3.7 1.9 1.3
!C24
assign (resid   24 and  name HA   )(resid   24 and  name HB2  ) 2.2 0.4 0.5
assign (resid   24 and  name HA   )(resid   24 and  name HN   ) 2.8 1.0 0.7
assign (resid   24 and  name HN   )(resid   24 and  name HB2  ) 2.2 0.4 0.5
!F25
assign (resid   25 and  name HA   )(resid   25 and  name HB#  ) 2.2 0.4 0.5
assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 2.8 1.0 0.7
assign (resid   25 and  name HN   )(resid   25 and  name HB2  ) 2.1 0.3 0.6
assign (resid   25 and  name HN   )(resid   25 and  name HB1  ) 2.3 0.5 0.4
assign (resid   25 and  name HD#  )(resid   25 and  name HA   ) 2.6 0.8 0.1
assign (resid   25 and  name HE#  )(resid   25 and  name HA   ) 4.1 2.3 0.9
assign (resid   25 and  name HD#  )(resid   25 and  name HB#  ) 3.6 1.8 1.4
!Q26
assign (resid   26 and  name HA   )(resid   26 and  name HB#  ) 2.4 0.6 0.3
assign (resid   26 and  name HA   )(resid   26 and  name HG#  ) 2.3 0.5 0.4
assign (resid   26 and  name HA   )(resid   26 and  name HN   ) 2.7 0.9 0.8
assign (resid   26 and  name HN   )(resid   26 and  name HB1  ) 2.5 0.7 0.2
!I27
assign (resid   27 and  name HA   )(resid   27 and  name HB   ) 2.4 0.6 0.3
assign (resid   27 and  name HA   )(resid   27 and  name HN   ) 2.7 0.9 0.8
!A28
assign (resid   28 and  name HA   )(resid   28 and  name HB#  ) 2.4 0.6 0.3
assign (resid   28 and  name HN   )(resid   28 and  name HB#  ) 2.5 0.7 0.2
!G29
assign (resid   29 and  name HN   )(resid   29 and  name HA#  ) 2.3 0.5 0.4
!Q30
assign (resid   30 and  name HA   )(resid   30 and  name HB#  ) 2.3 0.5 0.4
assign (resid   30 and  name HA   )(resid   30 and  name HG#  ) 2.6 0.8 0.1
assign (resid   30 and  name HB#  )(resid   30 and  name HG#  ) 2.2 0.4 0.5
assign (resid   30 and  name HN   )(resid   30 and  name HA   ) 2.8 1.0 0.7
assign (resid   30 and  name HN   )(resid   30 and  name HB#  ) 2.4 0.6 0.3
!S31
assign (resid   31 and  name HA   )(resid   31 and  name HB#  ) 2.3 0.5 0.4
assign (resid   31 and  name HN   )(resid   31 and  name HA   ) 2.4 0.6 0.3
assign (resid   31 and  name HN   )(resid   31 and  name HB#  ) 2.7 0.9 0.8
!Y32
assign (resid   32 and  name HA   )(resid   32 and  name HB#  ) 2.5 0.7 0.2
assign (resid   32 and  name HD#  )(resid   32 and  name HE#  ) 2.5 0.7 0.2
assign (resid   32 and  name HD#  )(resid   32 and  name HB#  ) 2.4 0.6 0.3
assign (resid   32 and  name HE#  )(resid   32 and  name HB#  ) 3.9 2.1 1.1
assign (resid   32 and  name HD#  )(resid   32 and  name HA   ) 3.1 1.3 0.4
!G33
assign (resid   33 and  name HN   )(resid   33 and  name HA#  ) 2.8 1.0 0.7
!V34
assign (resid   34 and  name HA   )(resid   34 and  name HB   ) 2.2 0.4 0.5
assign (resid   34 and  name HA   )(resid   34 and  name HG#  ) 3.0 1.2 0.5
assign (resid   34 and  name HN   )(resid   34 and  name HA   ) 3.0 1.2 0.5
assign (resid   34 and  name HN   )(resid   34 and  name HG#  ) 3.6 1.8 1.4
!C35
assign (resid   35 and  name HA   )(resid   35 and  name HB1  ) 2.2 0.4 0.5
assign (resid   35 and  name HN   )(resid   35 and  name HA   ) 2.8 1.0 0.7
assign (resid   35 and  name HN   )(resid   35 and  name HB1  ) 3.1 1.3 0.4
assign (resid   35 and  name HN   )(resid   35 and  name HB2  ) 2.8 1.0 0.7
!K36
assign (resid   36 and  name HA   )(resid   36 and  name HB2  ) 2.4 0.6 0.3
assign (resid   36 and  name HA   )(resid   36 and  name HG#  ) 3.0 1.2 0.5
assign (resid   36 and  name HA   )(resid   36 and  name HD#  ) 3.0 1.2 0.5
assign (resid   36 and  name HA   )(resid   36 and  name HE#  ) 3.0 1.2 0.5
assign (resid   36 and  name HN   )(resid   36 and  name HA   ) 2.8 1.0 0.7
assign (resid   36 and  name HN   )(resid   36 and  name HB1  ) 3.0 1.2 0.5
assign (resid   36 and  name HN   )(resid   36 and  name HB2  ) 2.8 1.0 0.7
!N37
assign (resid   37 and  name HA   )(resid   37 and  name HB1  ) 2.3 0.5 0.4
assign (resid   37 and  name HN   )(resid   37 and  name HD2# ) 3.7 1.9 1.3
assign (resid   37 and  name HN   )(resid   37 and  name HA   ) 3.1 1.3 0.4
assign (resid   37 and  name HN   )(resid   37 and  name HB2  ) 2.1 0.3 0.6
!R38
assign (resid   38 and  name HA   )(resid   38 and  name HB#  ) 2.5 0.7 0.2
assign (resid   38 and  name HA   )(resid   38 and  name HG#  ) 2.9 1.1 0.6
assign (resid   38 and  name HN   )(resid   38 and  name HA   ) 2.5 0.7 0.2

!hbonds
assign (resid   36 and  name O    )(resid   23 and  name HN   ) 2.3 0.8 0.2
assign (resid   23 and  name O    )(resid   36 and  name HN   ) 2.3 0.8 0.2
assign (resid   34 and  name O    )(resid   25 and  name HN   ) 2.3 0.8 0.2
assign (resid   25 and  name O    )(resid   34 and  name HN   ) 2.3 0.8 0.2
assign (resid   35 and  name O    )(resid    8 and  name HN   ) 2.3 0.8 0.2
assign (resid    8 and  name O    )(resid   35 and  name HN   ) 2.3 0.8 0.2
assign (resid   33 and  name O    )(resid   10 and  name HN   ) 2.3 0.8 0.2
assign (resid   10 and  name O    )(resid   33 and  name HN   ) 2.3 0.8 0.2
assign (resid   32 and  name O    )(resid   27 and  name HN   ) 2.3 0.8 0.2
assign (resid   36 and  name O    )(resid   23 and  name N    ) 3.3 0.8 0.2
assign (resid   23 and  name O    )(resid   36 and  name N    ) 3.3 0.8 0.2
assign (resid   34 and  name O    )(resid   25 and  name N    ) 3.3 0.8 0.2
assign (resid   25 and  name O    )(resid   34 and  name N    ) 3.3 0.8 0.2
assign (resid   32 and  name O    )(resid   27 and  name N    ) 3.3 0.8 0.2
assign (resid   35 and  name O    )(resid    8 and  name N    ) 3.3 0.8 0.2
assign (resid    8 and  name O    )(resid   35 and  name N    ) 3.3 0.8 0.2
assign (resid   33 and  name O    )(resid   10 and  name N    ) 3.3 0.8 0.2
assign (resid   10 and  name O    )(resid   33 and  name N    ) 3.3 0.8 0.2

!9 disulphide bonds fake NOE
assign (resid    3 and  name SG   )(resid   20 and  name CB   ) 3.0 0.5 0.5
assign (resid   10 and  name SG   )(resid   24 and  name CB   ) 3.0 0.5 0.5
assign (resid   19 and  name SG   )(resid   35 and  name CB   ) 3.0 0.5 0.5
assign (resid   20 and  name SG   )(resid    3 and  name CB   ) 3.0 0.5 0.5
assign (resid   24 and  name SG   )(resid   10 and  name CB   ) 3.0 0.5 0.5
assign (resid   35 and  name SG   )(resid   19 and  name CB   ) 3.0 0.5 0.5

set message=on echo=on end
                                               

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ALA   1           HA       ALA   1  13.244  -4.759  -4.824
    2   1HB   ALA   1          1HB       ALA   1  11.606  -2.728  -3.506
    3   2HB   ALA   1          2HB       ALA   1  13.267  -2.611  -4.088
    4   3HB   ALA   1          3HB       ALA   1  11.924  -2.312  -5.191
    5    H    GLY   2           H        GLY   2  12.728  -4.670  -2.212
    6   1HA   GLY   2          1HA       GLY   2  11.074  -6.981  -1.692
    7   2HA   GLY   2          2HA       GLY   2  11.822  -5.963  -0.463
    8    H    CYS   3           H        CYS   3   9.246  -6.947  -0.076
    9    HA   CYS   3           HA       CYS   3   7.713  -4.427   0.146
   10   1HB   CYS   3          1HB       CYS   3   5.789  -5.334  -1.084
   11   2HB   CYS   3          2HB       CYS   3   7.213  -5.341  -2.119
   12    H    ILE   4           H        ILE   4   5.501  -4.989   1.303
   13    HA   ILE   4           HA       ILE   4   5.938  -7.283   3.197
   14    HB   ILE   4           HB       ILE   4   5.015  -4.445   3.769
   15   1HG1  ILE   4          1HG1      ILE   4   7.320  -5.867   5.079
   16   2HG1  ILE   4          2HG1      ILE   4   7.546  -5.134   3.491
   17   1HG2  ILE   4          1HG2      ILE   4   5.138  -5.358   6.191
   18   2HG2  ILE   4          2HG2      ILE   4   3.727  -5.793   5.230
   19   3HG2  ILE   4          3HG2      ILE   4   5.035  -6.955   5.451
   20   1HD1  ILE   4          1HD1      ILE   4   7.490  -3.846   6.057
   21   2HD1  ILE   4          2HD1      ILE   4   7.793  -3.127   4.475
   22   3HD1  ILE   4          3HD1      ILE   4   6.144  -3.244   5.089
   23    H    LYS   5           H        LYS   5   4.223  -8.653   3.176
   24    HA   LYS   5           HA       LYS   5   1.781  -8.051   1.744
   25   1HB   LYS   5          1HB       LYS   5   3.256 -10.277   2.351
   26   2HB   LYS   5          2HB       LYS   5   1.930 -10.422   3.505
   27   1HG   LYS   5          2HG       LYS   5   0.413 -10.890   1.887
   28   2HG   LYS   5          1HG       LYS   5   1.062  -9.666   0.796
   29   1HD   LYS   5          1HD       LYS   5   2.667 -12.153   1.302
   30   2HD   LYS   5          2HD       LYS   5   1.291 -12.235   0.203
   31   1HE   LYS   5          1HE       LYS   5   3.202  -9.958  -0.165
   32   2HE   LYS   5          2HE       LYS   5   3.721 -11.572  -0.694
   33   1HZ   LYS   5          1HZ       LYS   5   1.920 -11.784  -2.121
   34   2HZ   LYS   5          2HZ       LYS   5   2.330 -10.137  -2.316
   35   3HZ   LYS   5          3HZ       LYS   5   0.987 -10.583  -1.327
   36    H    ASN   6           H        ASN   6   2.490  -8.856   5.167
   37    HA   ASN   6           HA       ASN   6  -0.221  -7.982   5.974
   38   1HB   ASN   6          1HB       ASN   6   1.794  -9.822   6.857
   39   2HB   ASN   6          2HB       ASN   6   1.463  -8.699   8.174
   40   1HD2  ASN   6          1HD2      ASN   6   0.412 -10.613   9.283
   41   2HD2  ASN   6          2HD2      ASN   6  -1.172 -11.038   8.851
   42    H    GLY   7           H        GLY   7   0.761  -5.702   5.107
   43   1HA   GLY   7          1HA       GLY   7   0.624  -3.608   6.566
   44   2HA   GLY   7          2HA       GLY   7   1.951  -4.313   7.484
   45    H    GLY   8           H        GLY   8   1.232  -3.597   4.031
   46   1HA   GLY   8          1HA       GLY   8   4.095  -2.809   3.707
   47   2HA   GLY   8          2HA       GLY   8   2.982  -3.156   2.382
   48    H    ARG   9           H        ARG   9   4.574  -0.735   2.630
   49    HA   ARG   9           HA       ARG   9   2.470   1.322   3.220
   50   1HB   ARG   9          2HB       ARG   9   4.428   1.652   4.526
   51   2HB   ARG   9          1HB       ARG   9   5.491   1.272   3.174
   52   1HG   ARG   9          2HG       ARG   9   5.616   3.627   3.361
   53   2HG   ARG   9          1HG       ARG   9   4.488   3.365   2.033
   54   1HD   ARG   9          2HD       ARG   9   2.608   3.920   3.357
   55   2HD   ARG   9          1HD       ARG   9   3.498   3.673   4.876
   56    HE   ARG   9           HE       ARG   9   4.643   5.770   4.515
   57   1HH1  ARG   9          2HH1      ARG   9   4.964   5.557   1.555
   58   2HH1  ARG   9          1HH1      ARG   9   3.896   6.806   0.983
   59   1HH2  ARG   9          1HH2      ARG   9   2.249   7.111   3.987
   60   2HH2  ARG   9          2HH2      ARG   9   2.379   7.684   2.356
   61    H    CYS  10           H        CYS  10   1.630   2.497   1.511
   62    HA   CYS  10           HA       CYS  10   3.213   2.665  -1.020
   63   1HB   CYS  10          1HB       CYS  10   0.979   2.149  -2.216
   64   2HB   CYS  10          2HB       CYS  10   1.839   0.802  -1.486
   65    H    ASN  11           H        ASN  11   2.013   4.197  -2.600
   66    HA   ASN  11           HA       ASN  11   0.441   6.314  -1.214
   67   1HB   ASN  11          1HB       ASN  11   3.259   6.385  -1.753
   68   2HB   ASN  11          2HB       ASN  11   2.471   7.579  -2.784
   69   1HD2  ASN  11          1HD2      ASN  11   0.931   9.128  -1.608
   70   2HD2  ASN  11          2HD2      ASN  11   1.297   9.538   0.002
   71    H    ALA  12           H        ALA  12  -1.334   5.990  -2.585
   72    HA   ALA  12           HA       ALA  12  -1.082   5.707  -5.483
   73   1HB   ALA  12          1HB       ALA  12  -2.910   4.678  -4.292
   74   2HB   ALA  12          2HB       ALA  12  -3.362   6.215  -3.552
   75   3HB   ALA  12          3HB       ALA  12  -3.604   5.964  -5.282
   76    H    SER  13           H        SER  13  -0.970   8.398  -3.371
   77    HA   SER  13           HA       SER  13  -2.062  10.331  -5.334
   78   1HB   SER  13          1HB       SER  13  -1.421  11.888  -3.367
   79   2HB   SER  13          2HB       SER  13  -2.700  10.710  -3.081
   80    HG   SER  13           HG       SER  13  -0.760  10.961  -1.526
   81    H    ALA  14           H        ALA  14   1.023   9.003  -4.443
   82    HA   ALA  14           HA       ALA  14   2.408  11.253  -5.872
   83   1HB   ALA  14          1HB       ALA  14   3.518   9.431  -3.718
   84   2HB   ALA  14          2HB       ALA  14   4.236  10.920  -4.331
   85   3HB   ALA  14          3HB       ALA  14   2.756  10.984  -3.372
   86    H    GLY  15           H        GLY  15   1.337   8.880  -7.210
   87   1HA   GLY  15          1HA       GLY  15   2.193   7.591  -9.026
   88   2HA   GLY  15          2HA       GLY  15   3.828   7.945  -8.470
   89    HA   PRO  16           HA       PRO  16   2.117   4.300  -5.788
   90   1HB   PRO  16          1HB       PRO  16   0.069   2.889  -6.948
   91   2HB   PRO  16          2HB       PRO  16  -0.185   4.208  -5.786
   92   1HG   PRO  16          1HG       PRO  16  -0.307   4.261  -8.769
   93   2HG   PRO  16          2HG       PRO  16  -1.384   5.026  -7.586
   94   1HD   PRO  16          1HD       PRO  16   0.521   6.415  -8.881
   95   2HD   PRO  16          2HD       PRO  16   0.064   6.781  -7.201
   96    HA   PRO  17           HA       PRO  17   4.542   2.039  -8.868
   97   1HB   PRO  17          1HB       PRO  17   6.221   0.828  -7.068
   98   2HB   PRO  17          2HB       PRO  17   6.449   2.488  -7.647
   99   1HG   PRO  17          1HG       PRO  17   5.388   1.526  -5.057
  100   2HG   PRO  17          2HG       PRO  17   6.305   2.989  -5.433
  101   1HD   PRO  17          1HD       PRO  17   3.565   2.876  -5.003
  102   2HD   PRO  17          2HD       PRO  17   4.432   4.201  -5.809
  103    H    TYR  18           H        TYR  18   4.462   0.070  -5.884
  104    HA   TYR  18           HA       TYR  18   2.299  -1.646  -6.766
  105   1HB   TYR  18          1HB       TYR  18   3.618  -3.542  -7.493
  106   2HB   TYR  18          2HB       TYR  18   4.183  -2.134  -8.387
  107    HD1  TYR  18           HD1      TYR  18   6.328  -1.040  -7.789
  108    HD2  TYR  18           HD2      TYR  18   5.003  -4.638  -5.853
  109    HE1  TYR  18           HE1      TYR  18   8.617  -1.405  -6.897
  110    HE2  TYR  18           HE2      TYR  18   7.293  -5.003  -4.966
  111    HH   TYR  18           HH       TYR  18   9.362  -3.173  -4.442
  112    H    CYS  19           H        CYS  19   1.597  -2.893  -5.020
  113    HA   CYS  19           HA       CYS  19   3.133  -2.629  -2.489
  114   1HB   CYS  19          1HB       CYS  19   0.344  -3.361  -3.311
  115   2HB   CYS  19          2HB       CYS  19   0.912  -3.842  -1.720
  116    H    CYS  20           H        CYS  20   2.791  -4.825  -1.074
  117    HA   CYS  20           HA       CYS  20   4.417  -6.853  -2.389
  118   1HB   CYS  20          1HB       CYS  20   4.101  -6.008   0.110
  119   2HB   CYS  20          2HB       CYS  20   2.930  -7.315   0.153
  120    H    SER  21           H        SER  21   0.972  -6.574  -1.604
  121    HA   SER  21           HA       SER  21   0.540  -9.202  -3.004
  122   1HB   SER  21          1HB       SER  21  -0.259  -8.193  -0.395
  123   2HB   SER  21          2HB       SER  21  -1.646  -8.739  -1.338
  124    HG   SER  21           HG       SER  21  -0.997 -10.663  -0.751
  125    H    SER  22           H        SER  22   0.484  -6.386  -4.073
  126    HA   SER  22           HA       SER  22  -0.716  -5.293  -5.768
  127   1HB   SER  22          1HB       SER  22  -1.252  -7.635  -6.419
  128   2HB   SER  22          2HB       SER  22  -2.668  -7.577  -5.375
  129    HG   SER  22           HG       SER  22  -2.117  -6.098  -7.731
  130    H    TYR  23           H        TYR  23  -1.885  -5.656  -2.586
  131    HA   TYR  23           HA       TYR  23  -4.223  -3.862  -3.170
  132   1HB   TYR  23          1HB       TYR  23  -4.406  -6.044  -1.824
  133   2HB   TYR  23          2HB       TYR  23  -3.518  -5.189  -0.568
  134    HD1  TYR  23           HD1      TYR  23  -4.517  -3.484   0.769
  135    HD2  TYR  23           HD2      TYR  23  -6.650  -5.184  -2.546
  136    HE1  TYR  23           HE1      TYR  23  -6.599  -2.389   1.547
  137    HE2  TYR  23           HE2      TYR  23  -8.733  -4.081  -1.765
  138    HH   TYR  23           HH       TYR  23  -9.427  -3.180   0.933
  139    H    CYS  24           H        CYS  24  -4.429  -1.911  -2.085
  140    HA   CYS  24           HA       CYS  24  -2.330  -0.954  -0.235
  141   1HB   CYS  24          1HB       CYS  24  -1.343  -0.475  -2.404
  142   2HB   CYS  24          2HB       CYS  24  -2.855   0.216  -2.991
  143    H    PHE  25           H        PHE  25  -3.562  -0.059   1.368
  144    HA   PHE  25           HA       PHE  25  -6.207   1.170   0.708
  145   1HB   PHE  25          1HB       PHE  25  -5.455  -0.678   2.510
  146   2HB   PHE  25          2HB       PHE  25  -5.160   0.758   3.466
  147    HD1  PHE  25           HD1      PHE  25  -6.907   1.823   4.591
  148    HD2  PHE  25           HD2      PHE  25  -7.798  -0.822   1.327
  149    HE1  PHE  25           HE1      PHE  25  -9.329   2.041   5.075
  150    HE2  PHE  25           HE2      PHE  25 -10.219  -0.604   1.810
  151    HZ   PHE  25           HZ       PHE  25 -10.985   0.828   3.685
  152    H    GLN  26           H        GLN  26  -5.946   3.378   0.302
  153    HA   GLN  26           HA       GLN  26  -4.257   4.932   2.239
  154   1HB   GLN  26          1HB       GLN  26  -3.120   4.849   0.144
  155   2HB   GLN  26          2HB       GLN  26  -4.608   5.138  -0.748
  156   1HG   GLN  26          1HG       GLN  26  -4.707   7.398  -0.095
  157   2HG   GLN  26          2HG       GLN  26  -3.627   7.139   1.271
  158   1HE2  GLN  26          1HE2      GLN  26  -3.063   9.221  -0.530
  159   2HE2  GLN  26          2HE2      GLN  26  -1.676   8.835  -1.428
  160    H    ILE  27           H        ILE  27  -5.107   6.960   2.892
  161    HA   ILE  27           HA       ILE  27  -7.973   7.434   2.122
  162    HB   ILE  27           HB       ILE  27  -7.498   8.643   4.607
  163   1HG1  ILE  27          1HG1      ILE  27  -5.445   7.048   4.662
  164   2HG1  ILE  27          2HG1      ILE  27  -6.527   7.050   6.048
  165   1HG2  ILE  27          1HG2      ILE  27  -9.320   6.902   3.387
  166   2HG2  ILE  27          2HG2      ILE  27  -8.784   6.056   4.838
  167   3HG2  ILE  27          3HG2      ILE  27  -9.483   7.668   4.965
  168   1HD1  ILE  27          1HD1      ILE  27  -7.689   5.060   5.154
  169   2HD1  ILE  27          2HD1      ILE  27  -6.604   5.050   3.765
  170   3HD1  ILE  27          3HD1      ILE  27  -5.968   4.745   5.381
  171    H    ALA  28           H        ALA  28  -8.667   9.741   2.379
  172    HA   ALA  28           HA       ALA  28  -6.643  11.538   1.199
  173   1HB   ALA  28          1HB       ALA  28  -8.609  11.915   0.100
  174   2HB   ALA  28          2HB       ALA  28  -9.580  11.303   1.439
  175   3HB   ALA  28          3HB       ALA  28  -8.980  12.959   1.473
  176    H    GLY  29           H        GLY  29  -5.252  11.971   2.998
  177   1HA   GLY  29          1HA       GLY  29  -6.165  14.122   4.757
  178   2HA   GLY  29          2HA       GLY  29  -5.808  12.628   5.625
  179    H    GLN  30           H        GLN  30  -3.592  11.644   5.027
  180    HA   GLN  30           HA       GLN  30  -1.569  13.854   4.899
  181   1HB   GLN  30          1HB       GLN  30  -1.883  11.258   6.346
  182   2HB   GLN  30          2HB       GLN  30  -0.245  11.792   5.967
  183   1HG   GLN  30          1HG       GLN  30  -0.361  13.086   7.821
  184   2HG   GLN  30          2HG       GLN  30  -1.492  14.099   6.927
  185   1HE2  GLN  30          1HE2      GLN  30  -1.808  13.938   9.708
  186   2HE2  GLN  30          2HE2      GLN  30  -3.194  13.030  10.074
  187    H    SER  31           H        SER  31  -2.881  11.621   2.849
  188    HA   SER  31           HA       SER  31  -2.152  10.723   0.790
  189   1HB   SER  31          1HB       SER  31  -0.687  13.000   1.181
  190   2HB   SER  31          2HB       SER  31   0.596  11.796   1.086
  191    HG   SER  31           HG       SER  31  -0.413  12.855  -0.940
  192    H    TYR  32           H        TYR  32  -2.190   8.927   2.727
  193    HA   TYR  32           HA       TYR  32   0.368   7.420   2.391
  194   1HB   TYR  32          1HB       TYR  32   0.390   6.906   4.760
  195   2HB   TYR  32          2HB       TYR  32   0.266   8.652   4.573
  196    HD1  TYR  32           HD1      TYR  32  -1.891   9.808   4.983
  197    HD2  TYR  32           HD2      TYR  32  -1.413   5.601   5.688
  198    HE1  TYR  32           HE1      TYR  32  -3.952   9.803   6.370
  199    HE2  TYR  32           HE2      TYR  32  -3.476   5.598   7.068
  200    HH   TYR  32           HH       TYR  32  -4.753   8.003   8.454
  201    H    GLY  33           H        GLY  33   0.089   5.267   1.942
  202   1HA   GLY  33          1HA       GLY  33  -2.642   4.113   2.338
  203   2HA   GLY  33          2HA       GLY  33  -1.771   3.882   0.823
  204    H    VAL  34           H        VAL  34  -2.692   1.825   2.716
  205    HA   VAL  34           HA       VAL  34  -0.003   0.686   3.491
  206    HB   VAL  34           HB       VAL  34  -1.257  -0.537   5.257
  207   1HG1  VAL  34          1HG1      VAL  34  -0.446   2.029   5.329
  208   2HG1  VAL  34          2HG1      VAL  34  -2.167   2.275   5.627
  209   3HG1  VAL  34          3HG1      VAL  34  -1.224   1.245   6.705
  210   1HG2  VAL  34          1HG2      VAL  34  -3.467  -0.837   4.873
  211   2HG2  VAL  34          2HG2      VAL  34  -3.673   0.813   5.458
  212   3HG2  VAL  34          3HG2      VAL  34  -3.530   0.502   3.730
  213    H    CYS  35           H        CYS  35   0.494  -1.330   2.627
  214    HA   CYS  35           HA       CYS  35  -1.333  -2.353   0.558
  215   1HB   CYS  35          1HB       CYS  35   1.343  -3.396   1.451
  216   2HB   CYS  35          2HB       CYS  35   0.540  -3.709  -0.071
  217    H    LYS  36           H        LYS  36  -2.056  -4.465   0.454
  218    HA   LYS  36           HA       LYS  36  -1.804  -6.243   2.802
  219   1HB   LYS  36          1HB       LYS  36  -4.010  -4.471   2.252
  220   2HB   LYS  36          2HB       LYS  36  -4.561  -6.140   2.311
  221   1HG   LYS  36          2HG       LYS  36  -2.692  -5.112   4.432
  222   2HG   LYS  36          1HG       LYS  36  -4.409  -4.722   4.531
  223   1HD   LYS  36          1HD       LYS  36  -4.771  -6.746   5.447
  224   2HD   LYS  36          2HD       LYS  36  -4.279  -7.482   3.923
  225   1HE   LYS  36          1HE       LYS  36  -1.847  -7.190   4.769
  226   2HE   LYS  36          2HE       LYS  36  -2.581  -6.923   6.365
  227   1HZ   LYS  36          1HZ       LYS  36  -2.210  -9.267   6.138
  228   2HZ   LYS  36          2HZ       LYS  36  -2.935  -9.294   4.578
  229   3HZ   LYS  36          3HZ       LYS  36  -3.890  -9.000   5.968
  230    H    ASN  37           H        ASN  37  -3.573  -8.160   2.286
  231    HA   ASN  37           HA       ASN  37  -2.632  -9.456  -0.148
  232   1HB   ASN  37          1HB       ASN  37  -4.839 -10.249   1.780
  233   2HB   ASN  37          2HB       ASN  37  -3.929 -11.325   0.724
  234   1HD2  ASN  37          1HD2      ASN  37  -1.945 -12.149   1.532
  235   2HD2  ASN  37          2HD2      ASN  37  -1.264 -11.671   3.010
  236    H    ARG  38           H        ARG  38  -4.822 -10.792  -1.141
  237    HA   ARG  38           HA       ARG  38  -6.938  -8.873  -1.803
  238   1HB   ARG  38          1HB       ARG  38  -4.998  -8.478  -3.352
  239   2HB   ARG  38          2HB       ARG  38  -5.146 -10.152  -3.889
  240   1HG   ARG  38          1HG       ARG  38  -6.393  -8.990  -5.504
  241   2HG   ARG  38          2HG       ARG  38  -7.635  -9.528  -4.375
  242   1HD   ARG  38          1HD       ARG  38  -8.219  -7.386  -3.944
  243   2HD   ARG  38          2HD       ARG  38  -6.546  -6.994  -3.489
  244    HE   ARG  38           HE       ARG  38  -7.717  -6.680  -6.193
  245   1HH1  ARG  38          1HH1      ARG  38  -6.135  -4.569  -4.812
  246   2HH1  ARG  38          2HH1      ARG  38  -4.592  -4.680  -5.599
  247   1HH2  ARG  38          1HH2      ARG  38  -5.273  -7.778  -6.977
  248   2HH2  ARG  38          2HH2      ARG  38  -4.097  -6.496  -6.850
  Start of MODEL    2
    1    HA   ALA   1           HA       ALA   1  12.892  -4.811  -6.383
    2   1HB   ALA   1          1HB       ALA   1  14.532  -2.820  -6.283
    3   2HB   ALA   1          2HB       ALA   1  14.228  -2.808  -4.545
    4   3HB   ALA   1          3HB       ALA   1  14.946  -4.229  -5.304
    5    H    GLY   2           H        GLY   2  11.830  -6.290  -5.106
    6   1HA   GLY   2          1HA       GLY   2  11.182  -7.320  -3.060
    7   2HA   GLY   2          2HA       GLY   2  11.660  -5.854  -2.204
    8    H    CYS   3           H        CYS   3   9.267  -7.051  -1.511
    9    HA   CYS   3           HA       CYS   3   7.331  -4.916  -2.137
   10   1HB   CYS   3          1HB       CYS   3   5.783  -6.287  -3.310
   11   2HB   CYS   3          2HB       CYS   3   7.344  -6.729  -4.001
   12    H    ILE   4           H        ILE   4   5.501  -4.974  -0.645
   13    HA   ILE   4           HA       ILE   4   6.038  -6.611   1.790
   14    HB   ILE   4           HB       ILE   4   4.065  -4.348   1.319
   15   1HG1  ILE   4          1HG1      ILE   4   6.454  -3.680   0.895
   16   2HG1  ILE   4          2HG1      ILE   4   5.748  -2.865   2.289
   17   1HG2  ILE   4          1HG2      ILE   4   4.824  -6.046   3.611
   18   2HG2  ILE   4          2HG2      ILE   4   4.817  -4.319   3.962
   19   3HG2  ILE   4          3HG2      ILE   4   3.359  -5.101   3.350
   20   1HD1  ILE   4          1HD1      ILE   4   8.139  -4.275   2.289
   21   2HD1  ILE   4          2HD1      ILE   4   7.213  -3.826   3.721
   22   3HD1  ILE   4          3HD1      ILE   4   6.998  -5.420   2.996
   23    H    LYS   5           H        LYS   5   4.736  -8.340   2.285
   24    HA   LYS   5           HA       LYS   5   2.707  -9.212   0.431
   25   1HB   LYS   5          1HB       LYS   5   3.925 -10.181   3.004
   26   2HB   LYS   5          2HB       LYS   5   2.547 -11.029   2.299
   27   1HG   LYS   5          2HG       LYS   5   4.181 -12.162   1.160
   28   2HG   LYS   5          1HG       LYS   5   4.098 -10.762   0.091
   29   1HD   LYS   5          1HD       LYS   5   5.825  -9.862   2.027
   30   2HD   LYS   5          2HD       LYS   5   6.233 -11.575   1.966
   31   1HE   LYS   5          1HE       LYS   5   6.910 -11.473  -0.280
   32   2HE   LYS   5          2HE       LYS   5   5.952 -10.015  -0.603
   33   1HZ   LYS   5          1HZ       LYS   5   8.560  -9.925  -0.074
   34   2HZ   LYS   5          2HZ       LYS   5   7.961  -9.800   1.508
   35   3HZ   LYS   5          3HZ       LYS   5   7.501  -8.651   0.325
   36    H    ASN   6           H        ASN   6   2.322  -8.976   3.994
   37    HA   ASN   6           HA       ASN   6  -0.381  -7.756   3.501
   38   1HB   ASN   6          1HB       ASN   6   0.540  -9.905   5.434
   39   2HB   ASN   6          2HB       ASN   6  -1.028  -9.114   5.560
   40   1HD2  ASN   6          1HD2      ASN   6   0.672 -11.668   4.000
   41   2HD2  ASN   6          2HD2      ASN   6  -0.536 -12.079   2.882
   42    H    GLY   7           H        GLY   7   0.096  -5.603   4.074
   43   1HA   GLY   7          1HA       GLY   7  -0.047  -4.108   6.052
   44   2HA   GLY   7          2HA       GLY   7   1.065  -5.197   6.881
   45    H    GLY   8           H        GLY   8   1.000  -3.327   3.815
   46   1HA   GLY   8          1HA       GLY   8   3.842  -2.548   4.405
   47   2HA   GLY   8          2HA       GLY   8   3.225  -2.770   2.768
   48    H    ARG   9           H        ARG   9   3.921  -0.530   2.344
   49    HA   ARG   9           HA       ARG   9   1.858   1.443   3.238
   50   1HB   ARG   9          2HB       ARG   9   4.462   1.284   4.187
   51   2HB   ARG   9          1HB       ARG   9   4.570   2.511   2.925
   52   1HG   ARG   9          2HG       ARG   9   2.491   2.526   5.127
   53   2HG   ARG   9          1HG       ARG   9   3.995   3.442   5.187
   54   1HD   ARG   9          2HD       ARG   9   2.227   3.764   2.783
   55   2HD   ARG   9          1HD       ARG   9   1.783   4.590   4.287
   56    HE   ARG   9           HE       ARG   9   4.340   5.326   4.200
   57   1HH1  ARG   9          2HH1      ARG   9   4.828   4.421   1.463
   58   2HH1  ARG   9          1HH1      ARG   9   4.409   5.810   0.507
   59   1HH2  ARG   9          1HH2      ARG   9   2.642   7.334   3.025
   60   2HH2  ARG   9          2HH2      ARG   9   3.178   7.435   1.379
   61    H    CYS  10           H        CYS  10   1.084   2.632   1.484
   62    HA   CYS  10           HA       CYS  10   2.810   2.684  -0.964
   63   1HB   CYS  10          1HB       CYS  10   0.395   2.674  -2.104
   64   2HB   CYS  10          2HB       CYS  10   1.204   1.178  -1.656
   65    H    ASN  11           H        ASN  11   2.185   4.447  -2.510
   66    HA   ASN  11           HA       ASN  11   1.312   6.911  -1.025
   67   1HB   ASN  11          1HB       ASN  11   3.560   6.180  -2.774
   68   2HB   ASN  11          2HB       ASN  11   2.777   7.682  -3.258
   69   1HD2  ASN  11          1HD2      ASN  11   3.717   9.463  -2.261
   70   2HD2  ASN  11          2HD2      ASN  11   4.388   9.465  -0.703
   71    H    ALA  12           H        ALA  12   0.590   8.667  -2.777
   72    HA   ALA  12           HA       ALA  12  -1.718   7.533  -4.200
   73   1HB   ALA  12          1HB       ALA  12  -0.558  10.296  -3.780
   74   2HB   ALA  12          2HB       ALA  12  -2.036  10.015  -4.701
   75   3HB   ALA  12          3HB       ALA  12  -1.967   9.584  -2.992
   76    H    SER  13           H        SER  13   1.542   8.089  -5.089
   77    HA   SER  13           HA       SER  13   0.774   8.214  -7.990
   78   1HB   SER  13          1HB       SER  13   1.872  10.249  -7.123
   79   2HB   SER  13          2HB       SER  13   3.225   9.276  -6.544
   80    HG   SER  13           HG       SER  13   3.409  10.323  -8.708
   81    H    ALA  14           H        ALA  14   3.094   7.529  -9.189
   82    HA   ALA  14           HA       ALA  14   3.496   4.701  -8.330
   83   1HB   ALA  14          1HB       ALA  14   4.415   6.097 -10.856
   84   2HB   ALA  14          2HB       ALA  14   4.162   4.368 -10.612
   85   3HB   ALA  14          3HB       ALA  14   2.780   5.463 -10.667
   86    H    GLY  15           H        GLY  15   5.568   3.891  -7.843
   87   1HA   GLY  15          1HA       GLY  15   8.075   4.947  -8.374
   88   2HA   GLY  15          2HA       GLY  15   7.551   5.821  -6.935
   89    HA   PRO  16           HA       PRO  16   9.635   2.031  -5.480
   90   1HB   PRO  16          1HB       PRO  16  10.594   3.173  -3.171
   91   2HB   PRO  16          2HB       PRO  16  11.443   3.191  -4.731
   92   1HG   PRO  16          1HG       PRO  16   9.782   5.311  -3.459
   93   2HG   PRO  16          2HG       PRO  16  11.296   5.453  -4.363
   94   1HD   PRO  16          1HD       PRO  16   8.901   6.021  -5.474
   95   2HD   PRO  16          2HD       PRO  16  10.251   5.343  -6.412
   96    HA   PRO  17           HA       PRO  17   6.824   2.200  -1.624
   97   1HB   PRO  17          1HB       PRO  17   4.831   4.065  -1.534
   98   2HB   PRO  17          2HB       PRO  17   6.452   4.351  -0.871
   99   1HG   PRO  17          1HG       PRO  17   5.242   5.329  -3.388
  100   2HG   PRO  17          2HG       PRO  17   6.433   6.097  -2.329
  101   1HD   PRO  17          1HD       PRO  17   6.987   4.821  -4.731
  102   2HD   PRO  17          2HD       PRO  17   8.166   5.203  -3.464
  103    H    TYR  18           H        TYR  18   6.390   0.554  -3.607
  104    HA   TYR  18           HA       TYR  18   3.504   0.757  -4.394
  105   1HB   TYR  18          1HB       TYR  18   4.147  -0.791  -6.226
  106   2HB   TYR  18          2HB       TYR  18   5.095   0.691  -6.248
  107    HD1  TYR  18           HD1      TYR  18   7.456   0.667  -5.905
  108    HD2  TYR  18           HD2      TYR  18   5.146  -2.903  -5.331
  109    HE1  TYR  18           HE1      TYR  18   9.548  -0.667  -5.810
  110    HE2  TYR  18           HE2      TYR  18   7.238  -4.240  -5.231
  111    HH   TYR  18           HH       TYR  18   9.578  -3.952  -4.753
  112    H    CYS  19           H        CYS  19   2.271  -1.315  -4.411
  113    HA   CYS  19           HA       CYS  19   2.816  -2.872  -1.958
  114   1HB   CYS  19          1HB       CYS  19   0.532  -3.038  -3.949
  115   2HB   CYS  19          2HB       CYS  19   0.527  -3.603  -2.281
  116    H    CYS  20           H        CYS  20   2.319  -5.370  -2.171
  117    HA   CYS  20           HA       CYS  20   4.155  -6.417  -4.235
  118   1HB   CYS  20          1HB       CYS  20   4.097  -7.018  -1.759
  119   2HB   CYS  20          2HB       CYS  20   2.651  -7.950  -2.119
  120    H    SER  21           H        SER  21   0.770  -7.130  -3.257
  121    HA   SER  21           HA       SER  21   0.486  -8.724  -5.767
  122   1HB   SER  21          1HB       SER  21  -1.233  -8.388  -3.292
  123   2HB   SER  21          2HB       SER  21  -1.652  -9.432  -4.647
  124    HG   SER  21           HG       SER  21   0.322  -9.712  -2.686
  125    H    SER  22           H        SER  22  -1.857  -6.663  -4.058
  126    HA   SER  22           HA       SER  22  -2.092  -4.708  -6.147
  127   1HB   SER  22          1HB       SER  22  -3.673  -7.224  -6.273
  128   2HB   SER  22          2HB       SER  22  -4.535  -5.738  -6.660
  129    HG   SER  22           HG       SER  22  -2.022  -6.480  -7.787
  130    H    TYR  23           H        TYR  23  -2.289  -5.129  -3.062
  131    HA   TYR  23           HA       TYR  23  -4.891  -3.662  -2.735
  132   1HB   TYR  23          1HB       TYR  23  -4.491  -6.021  -1.711
  133   2HB   TYR  23          2HB       TYR  23  -3.452  -5.153  -0.586
  134    HD1  TYR  23           HD1      TYR  23  -4.368  -3.250   0.775
  135    HD2  TYR  23           HD2      TYR  23  -6.878  -5.906  -1.482
  136    HE1  TYR  23           HE1      TYR  23  -6.334  -2.509   2.093
  137    HE2  TYR  23           HE2      TYR  23  -8.843  -5.163  -0.162
  138    HH   TYR  23           HH       TYR  23  -9.417  -2.922   1.179
  139    H    CYS  24           H        CYS  24  -4.836  -1.783  -1.680
  140    HA   CYS  24           HA       CYS  24  -2.513  -0.903  -0.084
  141   1HB   CYS  24          1HB       CYS  24  -1.752  -0.259  -2.257
  142   2HB   CYS  24          2HB       CYS  24  -3.356   0.287  -2.739
  143    H    PHE  25           H        PHE  25  -3.713  -0.321   1.739
  144    HA   PHE  25           HA       PHE  25  -6.349   0.994   1.397
  145   1HB   PHE  25          1HB       PHE  25  -5.461  -0.834   3.126
  146   2HB   PHE  25          2HB       PHE  25  -4.983   0.593   4.026
  147    HD1  PHE  25           HD1      PHE  25  -6.625   2.167   4.901
  148    HD2  PHE  25           HD2      PHE  25  -7.844  -1.280   2.646
  149    HE1  PHE  25           HE1      PHE  25  -8.970   2.530   5.619
  150    HE2  PHE  25           HE2      PHE  25 -10.189  -0.919   3.365
  151    HZ   PHE  25           HZ       PHE  25 -10.755   0.983   4.852
  152    H    GLN  26           H        GLN  26  -5.377   2.917   0.366
  153    HA   GLN  26           HA       GLN  26  -3.942   4.748   2.250
  154   1HB   GLN  26          1HB       GLN  26  -2.665   4.383   0.315
  155   2HB   GLN  26          2HB       GLN  26  -4.090   4.352  -0.718
  156   1HG   GLN  26          1HG       GLN  26  -4.424   6.749  -0.385
  157   2HG   GLN  26          2HG       GLN  26  -3.077   6.798   0.749
  158   1HE2  GLN  26          1HE2      GLN  26  -3.188   5.034  -2.388
  159   2HE2  GLN  26          2HE2      GLN  26  -1.899   5.891  -3.078
  160    H    ILE  27           H        ILE  27  -4.676   6.955   2.400
  161    HA   ILE  27           HA       ILE  27  -7.529   7.352   1.540
  162    HB   ILE  27           HB       ILE  27  -6.927   9.054   3.714
  163   1HG1  ILE  27          1HG1      ILE  27  -6.025   6.196   4.212
  164   2HG1  ILE  27          2HG1      ILE  27  -5.008   7.636   4.295
  165   1HG2  ILE  27          1HG2      ILE  27  -8.508   6.483   3.482
  166   2HG2  ILE  27          2HG2      ILE  27  -8.608   7.578   4.861
  167   3HG2  ILE  27          3HG2      ILE  27  -9.114   8.125   3.261
  168   1HD1  ILE  27          1HD1      ILE  27  -5.540   7.454   6.529
  169   2HD1  ILE  27          2HD1      ILE  27  -6.922   8.412   6.000
  170   3HD1  ILE  27          3HD1      ILE  27  -7.085   6.669   6.204
  171    H    ALA  28           H        ALA  28  -8.098   9.766   1.387
  172    HA   ALA  28           HA       ALA  28  -6.046  11.116  -0.253
  173   1HB   ALA  28          1HB       ALA  28  -7.911  12.510  -0.898
  174   2HB   ALA  28          2HB       ALA  28  -8.506  10.853  -0.812
  175   3HB   ALA  28          3HB       ALA  28  -8.853  11.983   0.496
  176    H    GLY  29           H        GLY  29  -4.731  12.720   0.543
  177   1HA   GLY  29          1HA       GLY  29  -5.210  14.930   2.018
  178   2HA   GLY  29          2HA       GLY  29  -5.180  13.713   3.293
  179    H    GLN  30           H        GLN  30  -3.138  12.076   2.669
  180    HA   GLN  30           HA       GLN  30  -0.755  13.883   2.353
  181   1HB   GLN  30          1HB       GLN  30  -1.740  12.383   4.575
  182   2HB   GLN  30          2HB       GLN  30  -0.209  11.668   4.067
  183   1HG   GLN  30          1HG       GLN  30   0.943  13.401   4.939
  184   2HG   GLN  30          2HG       GLN  30  -0.004  14.547   3.991
  185   1HE2  GLN  30          1HE2      GLN  30  -1.580  15.781   5.103
  186   2HE2  GLN  30          2HE2      GLN  30  -1.964  15.556   6.741
  187    H    SER  31           H        SER  31  -2.300  11.416   0.825
  188    HA   SER  31           HA       SER  31  -1.633   9.780  -0.736
  189   1HB   SER  31          1HB       SER  31  -0.353  11.505  -1.767
  190   2HB   SER  31          2HB       SER  31   0.816  11.539  -0.452
  191    HG   SER  31           HG       SER  31   1.452   9.425  -1.082
  192    H    TYR  32           H        TYR  32  -1.758   8.819   1.785
  193    HA   TYR  32           HA       TYR  32   0.576   6.961   1.896
  194   1HB   TYR  32          1HB       TYR  32   0.871   7.370   4.235
  195   2HB   TYR  32          2HB       TYR  32   0.739   8.956   3.479
  196    HD1  TYR  32           HD1      TYR  32  -1.479  10.176   3.555
  197    HD2  TYR  32           HD2      TYR  32  -0.697   6.629   5.842
  198    HE1  TYR  32           HE1      TYR  32  -3.385  10.718   5.051
  199    HE2  TYR  32           HE2      TYR  32  -2.603   7.169   7.334
  200    HH   TYR  32           HH       TYR  32  -3.819   9.747   7.887
  201    H    GLY  33           H        GLY  33   0.028   4.860   2.383
  202   1HA   GLY  33          1HA       GLY  33  -2.496   4.150   3.678
  203   2HA   GLY  33          2HA       GLY  33  -2.468   3.773   1.956
  204    H    VAL  34           H        VAL  34  -2.744   1.574   3.381
  205    HA   VAL  34           HA       VAL  34   0.045   0.487   3.713
  206    HB   VAL  34           HB       VAL  34  -0.909  -1.080   5.323
  207   1HG1  VAL  34          1HG1      VAL  34  -2.275   1.039   6.590
  208   2HG1  VAL  34          2HG1      VAL  34  -0.586   0.578   6.802
  209   3HG1  VAL  34          3HG1      VAL  34  -1.023   1.794   5.603
  210   1HG2  VAL  34          1HG2      VAL  34  -3.384  -0.336   4.002
  211   2HG2  VAL  34          2HG2      VAL  34  -3.060  -1.702   5.066
  212   3HG2  VAL  34          3HG2      VAL  34  -3.527  -0.143   5.747
  213    H    CYS  35           H        CYS  35   0.638  -1.269   2.466
  214    HA   CYS  35           HA       CYS  35  -1.246  -2.143   0.380
  215   1HB   CYS  35          1HB       CYS  35   1.646  -2.782   0.954
  216   2HB   CYS  35          2HB       CYS  35   0.774  -3.336  -0.456
  217    H    LYS  36           H        LYS  36  -1.584  -4.345  -0.074
  218    HA   LYS  36           HA       LYS  36  -1.107  -6.380   2.035
  219   1HB   LYS  36          1HB       LYS  36  -3.520  -4.868   1.619
  220   2HB   LYS  36          2HB       LYS  36  -3.819  -6.587   1.414
  221   1HG   LYS  36          2HG       LYS  36  -2.217  -5.605   3.768
  222   2HG   LYS  36          1HG       LYS  36  -3.976  -5.520   3.815
  223   1HD   LYS  36          1HD       LYS  36  -2.208  -7.953   3.670
  224   2HD   LYS  36          2HD       LYS  36  -3.551  -7.624   4.761
  225   1HE   LYS  36          1HE       LYS  36  -5.109  -7.763   2.793
  226   2HE   LYS  36          2HE       LYS  36  -3.730  -8.274   1.802
  227   1HZ   LYS  36          1HZ       LYS  36  -4.902 -10.206   2.713
  228   2HZ   LYS  36          2HZ       LYS  36  -4.643  -9.612   4.303
  229   3HZ   LYS  36          3HZ       LYS  36  -3.304 -10.087   3.347
  230    H    ASN  37           H        ASN  37  -1.845  -8.563   1.236
  231    HA   ASN  37           HA       ASN  37  -1.285  -8.868  -1.644
  232   1HB   ASN  37          1HB       ASN  37  -1.559 -10.593   0.787
  233   2HB   ASN  37          2HB       ASN  37  -1.842 -11.356  -0.776
  234   1HD2  ASN  37          1HD2      ASN  37   0.374 -12.262   0.590
  235   2HD2  ASN  37          2HD2      ASN  37   1.797 -11.659  -0.107
  236    H    ARG  38           H        ARG  38  -3.857 -10.023   0.527
  237    HA   ARG  38           HA       ARG  38  -6.002  -9.014  -1.085
  238   1HB   ARG  38          1HB       ARG  38  -4.806 -11.540  -1.769
  239   2HB   ARG  38          2HB       ARG  38  -6.460 -11.810  -1.223
  240   1HG   ARG  38          1HG       ARG  38  -5.626  -9.812  -3.351
  241   2HG   ARG  38          2HG       ARG  38  -6.366 -11.381  -3.667
  242   1HD   ARG  38          1HD       ARG  38  -7.682  -9.242  -1.952
  243   2HD   ARG  38          2HD       ARG  38  -8.015  -9.455  -3.683
  244    HE   ARG  38           HE       ARG  38  -8.346 -12.002  -2.750
  245   1HH1  ARG  38          1HH1      ARG  38  -8.784 -10.341  -0.129
  246   2HH1  ARG  38          2HH1      ARG  38 -10.527 -10.360  -0.094
  247   1HH2  ARG  38          1HH2      ARG  38 -10.854 -11.415  -3.367
  248   2HH2  ARG  38          2HH2      ARG  38 -11.693 -10.962  -1.926
  Start of MODEL    3
    1    HA   ALA   1           HA       ALA   1  13.122  -1.245  -2.627
    2   1HB   ALA   1          1HB       ALA   1  11.674   0.452  -3.272
    3   2HB   ALA   1          2HB       ALA   1  10.452  -0.673  -3.860
    4   3HB   ALA   1          3HB       ALA   1  10.637  -0.397  -2.130
    5    H    GLY   2           H        GLY   2  11.892  -1.657  -0.445
    6   1HA   GLY   2          1HA       GLY   2  11.387  -4.562  -0.253
    7   2HA   GLY   2          2HA       GLY   2  11.562  -3.449   1.106
    8    H    CYS   3           H        CYS   3   9.399  -5.474   0.431
    9    HA   CYS   3           HA       CYS   3   7.098  -3.604   0.820
   10   1HB   CYS   3          1HB       CYS   3   5.824  -4.824  -0.871
   11   2HB   CYS   3          2HB       CYS   3   7.330  -4.253  -1.580
   12    H    ILE   4           H        ILE   4   5.206  -4.677   1.801
   13    HA   ILE   4           HA       ILE   4   5.861  -7.260   3.190
   14    HB   ILE   4           HB       ILE   4   4.486  -4.778   4.290
   15   1HG1  ILE   4          1HG1      ILE   4   7.057  -5.991   5.295
   16   2HG1  ILE   4          2HG1      ILE   4   7.081  -4.861   3.942
   17   1HG2  ILE   4          1HG2      ILE   4   5.030  -6.286   6.455
   18   2HG2  ILE   4          2HG2      ILE   4   3.503  -6.406   5.585
   19   3HG2  ILE   4          3HG2      ILE   4   4.785  -7.575   5.276
   20   1HD1  ILE   4          1HD1      ILE   4   6.921  -4.256   6.719
   21   2HD1  ILE   4          2HD1      ILE   4   6.895  -3.129   5.364
   22   3HD1  ILE   4          3HD1      ILE   4   5.385  -3.789   5.990
   23    H    LYS   5           H        LYS   5   4.501  -8.659   2.108
   24    HA   LYS   5           HA       LYS   5   2.075  -8.121   0.808
   25   1HB   LYS   5          1HB       LYS   5   3.684 -10.354   1.606
   26   2HB   LYS   5          2HB       LYS   5   1.997 -10.741   1.940
   27   1HG   LYS   5          2HG       LYS   5   1.883 -11.288  -0.258
   28   2HG   LYS   5          1HG       LYS   5   1.831  -9.548  -0.536
   29   1HD   LYS   5          1HD       LYS   5   4.092  -9.430  -1.106
   30   2HD   LYS   5          2HD       LYS   5   4.492 -10.916  -0.242
   31   1HE   LYS   5          1HE       LYS   5   3.822 -12.276  -1.991
   32   2HE   LYS   5          2HE       LYS   5   2.576 -11.133  -2.537
   33   1HZ   LYS   5          1HZ       LYS   5   4.528 -11.153  -4.022
   34   2HZ   LYS   5          2HZ       LYS   5   5.512 -10.663  -2.725
   35   3HZ   LYS   5          3HZ       LYS   5   4.284  -9.621  -3.309
   36    H    ASN   6           H        ASN   6   2.615  -8.791   4.253
   37    HA   ASN   6           HA       ASN   6  -0.315  -8.824   4.736
   38   1HB   ASN   6          1HB       ASN   6   1.915 -10.158   5.774
   39   2HB   ASN   6          2HB       ASN   6   1.416  -9.061   7.061
   40   1HD2  ASN   6          1HD2      ASN   6   0.911 -11.431   7.959
   41   2HD2  ASN   6          2HD2      ASN   6  -0.672 -11.974   7.690
   42    H    GLY   7           H        GLY   7   1.786  -6.316   4.369
   43   1HA   GLY   7          1HA       GLY   7   0.195  -4.363   5.569
   44   2HA   GLY   7          2HA       GLY   7   1.307  -4.852   6.842
   45    H    GLY   8           H        GLY   8   1.578  -4.092   3.336
   46   1HA   GLY   8          1HA       GLY   8   4.172  -2.750   3.848
   47   2HA   GLY   8          2HA       GLY   8   3.446  -3.019   2.262
   48    H    ARG   9           H        ARG   9   4.274  -0.531   2.361
   49    HA   ARG   9           HA       ARG   9   1.831   1.085   3.011
   50   1HB   ARG   9          2HB       ARG   9   4.181   1.057   4.454
   51   2HB   ARG   9          1HB       ARG   9   4.439   2.410   3.357
   52   1HG   ARG   9          2HG       ARG   9   3.370   3.223   5.396
   53   2HG   ARG   9          1HG       ARG   9   2.238   3.355   4.052
   54   1HD   ARG   9          2HD       ARG   9   0.976   2.411   5.862
   55   2HD   ARG   9          1HD       ARG   9   1.348   1.042   4.796
   56    HE   ARG   9           HE       ARG   9   3.110   1.690   7.136
   57   1HH1  ARG   9          2HH1      ARG   9   0.805  -0.078   7.764
   58   2HH1  ARG   9          1HH1      ARG   9   1.474  -1.653   7.511
   59   1HH2  ARG   9          1HH2      ARG   9   4.167  -0.490   5.696
   60   2HH2  ARG   9          2HH2      ARG   9   3.358  -1.902   6.307
   61    H    CYS  10           H        CYS  10   1.316   2.649   1.455
   62    HA   CYS  10           HA       CYS  10   3.343   3.369  -0.601
   63   1HB   CYS  10          1HB       CYS  10   2.264   2.360  -2.398
   64   2HB   CYS  10          2HB       CYS  10   1.940   1.194  -1.130
   65    H    ASN  11           H        ASN  11   1.746   4.621  -2.416
   66    HA   ASN  11           HA       ASN  11  -0.102   6.464  -0.992
   67   1HB   ASN  11          1HB       ASN  11   1.247   8.399  -1.456
   68   2HB   ASN  11          2HB       ASN  11   2.324   7.210  -0.734
   69   1HD2  ASN  11          1HD2      ASN  11   2.831   9.474  -2.741
   70   2HD2  ASN  11          2HD2      ASN  11   3.642   8.722  -4.023
   71    H    ALA  12           H        ALA  12  -0.313   8.421  -2.975
   72    HA   ALA  12           HA       ALA  12  -1.625   6.901  -5.162
   73   1HB   ALA  12          1HB       ALA  12  -1.935   9.706  -5.453
   74   2HB   ALA  12          2HB       ALA  12  -3.106   8.565  -4.790
   75   3HB   ALA  12          3HB       ALA  12  -1.968   9.381  -3.719
   76    H    SER  13           H        SER  13   0.918   6.443  -5.671
   77    HA   SER  13           HA       SER  13   1.585   8.213  -7.982
   78   1HB   SER  13          1HB       SER  13   3.267   7.620  -5.546
   79   2HB   SER  13          2HB       SER  13   4.009   8.096  -7.069
   80    HG   SER  13           HG       SER  13   2.708   9.996  -6.996
   81    H    ALA  14           H        ALA  14   1.868   6.782  -9.704
   82    HA   ALA  14           HA       ALA  14   2.379   3.937  -9.242
   83   1HB   ALA  14          1HB       ALA  14   0.978   4.446 -11.067
   84   2HB   ALA  14          2HB       ALA  14   2.010   5.770 -11.608
   85   3HB   ALA  14          3HB       ALA  14   2.518   4.100 -11.855
   86    H    GLY  15           H        GLY  15   4.520   4.487  -8.039
   87   1HA   GLY  15          1HA       GLY  15   6.744   4.349 -10.022
   88   2HA   GLY  15          2HA       GLY  15   6.845   5.538  -8.727
   89    HA   PRO  16           HA       PRO  16   9.083   2.041  -7.016
   90   1HB   PRO  16          1HB       PRO  16  10.304   3.479  -5.022
   91   2HB   PRO  16          2HB       PRO  16  10.903   3.362  -6.688
   92   1HG   PRO  16          1HG       PRO  16   9.327   5.531  -5.395
   93   2HG   PRO  16          2HG       PRO  16  10.673   5.640  -6.539
   94   1HD   PRO  16          1HD       PRO  16   8.100   5.968  -7.303
   95   2HD   PRO  16          2HD       PRO  16   9.335   5.267  -8.371
   96    HA   PRO  17           HA       PRO  17   6.947   2.570  -2.752
   97   1HB   PRO  17          1HB       PRO  17   4.764   4.213  -2.623
   98   2HB   PRO  17          2HB       PRO  17   6.413   4.759  -2.257
   99   1HG   PRO  17          1HG       PRO  17   4.786   5.157  -4.707
  100   2HG   PRO  17          2HG       PRO  17   5.936   6.249  -3.922
  101   1HD   PRO  17          1HD       PRO  17   6.489   4.770  -6.164
  102   2HD   PRO  17          2HD       PRO  17   7.714   5.370  -5.030
  103    H    TYR  18           H        TYR  18   6.462   0.642  -4.475
  104    HA   TYR  18           HA       TYR  18   3.526   0.395  -4.924
  105   1HB   TYR  18          1HB       TYR  18   4.268  -1.636  -6.249
  106   2HB   TYR  18          2HB       TYR  18   4.897  -0.101  -6.835
  107    HD1  TYR  18           HD1      TYR  18   7.168   0.081  -7.265
  108    HD2  TYR  18           HD2      TYR  18   5.802  -2.863  -4.452
  109    HE1  TYR  18           HE1      TYR  18   9.487  -0.784  -7.043
  110    HE2  TYR  18           HE2      TYR  18   8.121  -3.725  -4.228
  111    HH   TYR  18           HH       TYR  18  10.297  -3.606  -6.013
  112    H    CYS  19           H        CYS  19   2.447  -1.641  -4.258
  113    HA   CYS  19           HA       CYS  19   3.203  -2.372  -1.527
  114   1HB   CYS  19          1HB       CYS  19   0.964  -3.138  -3.410
  115   2HB   CYS  19          2HB       CYS  19   1.057  -3.709  -1.746
  116    H    CYS  20           H        CYS  20   2.969  -4.842  -0.980
  117    HA   CYS  20           HA       CYS  20   5.101  -6.229  -2.467
  118   1HB   CYS  20          1HB       CYS  20   4.476  -5.970   0.105
  119   2HB   CYS  20          2HB       CYS  20   3.556  -7.429  -0.227
  120    H    SER  21           H        SER  21   1.604  -6.631  -2.002
  121    HA   SER  21           HA       SER  21   1.740  -9.094  -3.720
  122   1HB   SER  21          1HB       SER  21  -0.789  -8.934  -2.529
  123   2HB   SER  21          2HB       SER  21   0.547  -9.945  -1.995
  124    HG   SER  21           HG       SER  21  -0.469  -7.596  -0.928
  125    H    SER  22           H        SER  22  -0.927  -6.830  -3.025
  126    HA   SER  22           HA       SER  22  -0.940  -5.645  -5.654
  127   1HB   SER  22          1HB       SER  22  -2.448  -8.151  -5.103
  128   2HB   SER  22          2HB       SER  22  -3.244  -6.937  -6.100
  129    HG   SER  22           HG       SER  22  -0.572  -7.803  -6.561
  130    H    TYR  23           H        TYR  23  -1.752  -5.287  -2.529
  131    HA   TYR  23           HA       TYR  23  -4.164  -3.630  -3.201
  132   1HB   TYR  23          1HB       TYR  23  -4.502  -5.856  -1.995
  133   2HB   TYR  23          2HB       TYR  23  -3.663  -5.117  -0.639
  134    HD1  TYR  23           HD1      TYR  23  -4.719  -3.604   0.820
  135    HD2  TYR  23           HD2      TYR  23  -6.626  -4.718  -2.863
  136    HE1  TYR  23           HE1      TYR  23  -6.789  -2.459   1.550
  137    HE2  TYR  23           HE2      TYR  23  -8.699  -3.566  -2.128
  138    HH   TYR  23           HH       TYR  23  -9.033  -1.426  -0.224
  139    H    CYS  24           H        CYS  24  -4.409  -1.735  -1.978
  140    HA   CYS  24           HA       CYS  24  -2.466  -1.005   0.104
  141   1HB   CYS  24          1HB       CYS  24  -1.604  -0.454  -2.345
  142   2HB   CYS  24          2HB       CYS  24  -2.671   0.942  -2.158
  143    H    PHE  25           H        PHE  25  -3.807  -0.200   1.656
  144    HA   PHE  25           HA       PHE  25  -6.334   1.169   0.878
  145   1HB   PHE  25          1HB       PHE  25  -5.745  -0.679   2.735
  146   2HB   PHE  25          2HB       PHE  25  -5.427   0.753   3.689
  147    HD1  PHE  25           HD1      PHE  25  -7.202   2.453   4.078
  148    HD2  PHE  25           HD2      PHE  25  -8.016  -1.270   2.093
  149    HE1  PHE  25           HE1      PHE  25  -9.633   2.792   4.435
  150    HE2  PHE  25           HE2      PHE  25 -10.444  -0.932   2.450
  151    HZ   PHE  25           HZ       PHE  25 -11.254   1.099   3.621
  152    H    GLN  26           H        GLN  26  -5.677   3.261   0.233
  153    HA   GLN  26           HA       GLN  26  -4.077   4.871   2.193
  154   1HB   GLN  26          1HB       GLN  26  -2.950   4.784   0.144
  155   2HB   GLN  26          2HB       GLN  26  -4.444   4.830  -0.779
  156   1HG   GLN  26          1HG       GLN  26  -4.775   7.190   0.179
  157   2HG   GLN  26          2HG       GLN  26  -3.098   7.087   0.709
  158   1HE2  GLN  26          1HE2      GLN  26  -4.876   6.270  -2.338
  159   2HE2  GLN  26          2HE2      GLN  26  -3.761   7.045  -3.353
  160    H    ILE  27           H        ILE  27  -4.792   7.060   2.616
  161    HA   ILE  27           HA       ILE  27  -7.694   7.529   2.005
  162    HB   ILE  27           HB       ILE  27  -7.013   8.818   4.430
  163   1HG1  ILE  27          1HG1      ILE  27  -6.213   5.886   4.448
  164   2HG1  ILE  27          2HG1      ILE  27  -5.075   7.229   4.564
  165   1HG2  ILE  27          1HG2      ILE  27  -8.485   6.586   5.116
  166   2HG2  ILE  27          2HG2      ILE  27  -9.157   8.108   4.530
  167   3HG2  ILE  27          3HG2      ILE  27  -8.857   6.784   3.403
  168   1HD1  ILE  27          1HD1      ILE  27  -5.574   6.396   6.805
  169   2HD1  ILE  27          2HD1      ILE  27  -6.258   8.010   6.617
  170   3HD1  ILE  27          3HD1      ILE  27  -7.303   6.592   6.521
  171    H    ALA  28           H        ALA  28  -8.285   9.910   2.278
  172    HA   ALA  28           HA       ALA  28  -6.536  11.528   0.627
  173   1HB   ALA  28          1HB       ALA  28  -9.059  11.520   0.724
  174   2HB   ALA  28          2HB       ALA  28  -8.944  12.335   2.284
  175   3HB   ALA  28          3HB       ALA  28  -8.344  13.130   0.828
  176    H    GLY  29           H        GLY  29  -5.828  13.743   1.280
  177   1HA   GLY  29          1HA       GLY  29  -5.451  15.243   3.333
  178   2HA   GLY  29          2HA       GLY  29  -4.780  13.791   4.080
  179    H    GLN  30           H        GLN  30  -3.308  12.688   2.129
  180    HA   GLN  30           HA       GLN  30  -1.522  14.710   0.918
  181   1HB   GLN  30          1HB       GLN  30  -0.837  14.432   3.276
  182   2HB   GLN  30          2HB       GLN  30  -0.689  12.694   3.028
  183   1HG   GLN  30          1HG       GLN  30   0.819  13.966   0.966
  184   2HG   GLN  30          2HG       GLN  30   1.260  14.741   2.487
  185   1HE2  GLN  30          1HE2      GLN  30   3.366  13.688   2.569
  186   2HE2  GLN  30          2HE2      GLN  30   3.517  12.026   2.870
  187    H    SER  31           H        SER  31  -0.834  11.337   1.785
  188    HA   SER  31           HA       SER  31  -1.633   9.975  -0.545
  189   1HB   SER  31          1HB       SER  31   0.195  11.800  -1.291
  190   2HB   SER  31          2HB       SER  31   1.299  10.535  -0.768
  191    HG   SER  31           HG       SER  31  -0.121  10.693  -3.032
  192    H    TYR  32           H        TYR  32  -1.872   8.791   1.666
  193    HA   TYR  32           HA       TYR  32   0.522   7.037   2.034
  194   1HB   TYR  32          1HB       TYR  32  -0.092   7.179   4.554
  195   2HB   TYR  32          2HB       TYR  32   0.749   8.545   3.830
  196    HD1  TYR  32           HD1      TYR  32  -0.249  10.691   3.733
  197    HD2  TYR  32           HD2      TYR  32  -2.611   7.284   4.838
  198    HE1  TYR  32           HE1      TYR  32  -2.105  12.199   4.409
  199    HE2  TYR  32           HE2      TYR  32  -4.468   8.793   5.514
  200    HH   TYR  32           HH       TYR  32  -5.070  11.487   4.648
  201    H    GLY  33           H        GLY  33  -0.042   4.917   1.910
  202   1HA   GLY  33          1HA       GLY  33  -2.749   4.097   2.852
  203   2HA   GLY  33          2HA       GLY  33  -2.264   3.659   1.217
  204    H    VAL  34           H        VAL  34  -2.932   1.703   3.090
  205    HA   VAL  34           HA       VAL  34  -0.249   0.558   3.848
  206    HB   VAL  34           HB       VAL  34  -1.480  -0.760   5.498
  207   1HG1  VAL  34          1HG1      VAL  34  -1.026   1.854   5.737
  208   2HG1  VAL  34          2HG1      VAL  34  -2.787   1.912   5.790
  209   3HG1  VAL  34          3HG1      VAL  34  -1.901   0.960   6.980
  210   1HG2  VAL  34          1HG2      VAL  34  -3.881   0.359   4.064
  211   2HG2  VAL  34          2HG2      VAL  34  -3.519  -1.321   4.447
  212   3HG2  VAL  34          3HG2      VAL  34  -4.000  -0.207   5.727
  213    H    CYS  35           H        CYS  35   0.395  -1.324   2.851
  214    HA   CYS  35           HA       CYS  35  -1.271  -2.291   0.629
  215   1HB   CYS  35          1HB       CYS  35   1.468  -3.067   1.588
  216   2HB   CYS  35          2HB       CYS  35   0.751  -3.543   0.065
  217    H    LYS  36           H        LYS  36  -1.773  -4.437   0.290
  218    HA   LYS  36           HA       LYS  36  -1.596  -6.398   2.499
  219   1HB   LYS  36          1HB       LYS  36  -3.852  -4.720   1.930
  220   2HB   LYS  36          2HB       LYS  36  -4.304  -6.400   1.672
  221   1HG   LYS  36          2HG       LYS  36  -2.779  -5.603   4.144
  222   2HG   LYS  36          1HG       LYS  36  -4.524  -5.360   4.072
  223   1HD   LYS  36          1HD       LYS  36  -4.703  -7.511   4.748
  224   2HD   LYS  36          2HD       LYS  36  -4.223  -7.945   3.109
  225   1HE   LYS  36          1HE       LYS  36  -1.794  -7.761   3.909
  226   2HE   LYS  36          2HE       LYS  36  -2.451  -7.699   5.558
  227   1HZ   LYS  36          1HZ       LYS  36  -2.736  -9.872   3.535
  228   2HZ   LYS  36          2HZ       LYS  36  -3.809  -9.725   4.863
  229   3HZ   LYS  36          3HZ       LYS  36  -2.139  -9.980   5.144
  230    H    ASN  37           H        ASN  37  -3.324  -8.302   1.501
  231    HA   ASN  37           HA       ASN  37  -1.883  -9.520  -0.630
  232   1HB   ASN  37          1HB       ASN  37  -4.667  -9.905   0.507
  233   2HB   ASN  37          2HB       ASN  37  -3.948 -11.014  -0.658
  234   1HD2  ASN  37          1HD2      ASN  37  -2.784 -12.711   0.274
  235   2HD2  ASN  37          2HD2      ASN  37  -2.110 -12.684   1.830
  236    H    ARG  38           H        ARG  38  -5.352  -8.709  -1.028
  237    HA   ARG  38           HA       ARG  38  -4.880  -7.085  -3.381
  238   1HB   ARG  38          1HB       ARG  38  -5.961  -8.731  -4.923
  239   2HB   ARG  38          2HB       ARG  38  -4.424  -9.301  -4.274
  240   1HG   ARG  38          1HG       ARG  38  -5.462 -11.100  -3.427
  241   2HG   ARG  38          2HG       ARG  38  -6.446 -10.039  -2.419
  242   1HD   ARG  38          1HD       ARG  38  -7.172 -10.479  -5.319
  243   2HD   ARG  38          2HD       ARG  38  -7.701 -11.623  -4.065
  244    HE   ARG  38           HE       ARG  38  -8.460  -9.360  -2.870
  245   1HH1  ARG  38          1HH1      ARG  38 -10.115 -10.904  -5.053
  246   2HH1  ARG  38          2HH1      ARG  38 -10.769  -9.552  -5.907
  247   1HH2  ARG  38          1HH2      ARG  38  -8.601  -7.281  -4.430
  248   2HH2  ARG  38          2HH2      ARG  38  -9.915  -7.491  -5.556
  Start of MODEL    4
    1    HA   ALA   1           HA       ALA   1  12.732  -5.469  -5.205
    2   1HB   ALA   1          1HB       ALA   1  14.378  -3.375  -3.745
    3   2HB   ALA   1          2HB       ALA   1  14.902  -4.991  -4.218
    4   3HB   ALA   1          3HB       ALA   1  14.593  -3.768  -5.451
    5    H    GLY   2           H        GLY   2  11.509  -6.653  -3.762
    6   1HA   GLY   2          1HA       GLY   2  11.069  -7.465  -1.542
    7   2HA   GLY   2          2HA       GLY   2  11.636  -5.927  -0.892
    8    H    CYS   3           H        CYS   3   9.236  -7.067  -0.010
    9    HA   CYS   3           HA       CYS   3   7.314  -4.938  -0.759
   10   1HB   CYS   3          1HB       CYS   3   5.684  -6.409  -1.625
   11   2HB   CYS   3          2HB       CYS   3   7.179  -7.057  -2.293
   12    H    ILE   4           H        ILE   4   5.313  -5.106   0.727
   13    HA   ILE   4           HA       ILE   4   6.027  -6.455   3.314
   14    HB   ILE   4           HB       ILE   4   4.902  -3.675   2.840
   15   1HG1  ILE   4          1HG1      ILE   4   7.311  -3.959   4.474
   16   2HG1  ILE   4          2HG1      ILE   4   7.549  -4.582   2.842
   17   1HG2  ILE   4          1HG2      ILE   4   5.411  -5.252   5.378
   18   2HG2  ILE   4          2HG2      ILE   4   5.177  -3.506   5.360
   19   3HG2  ILE   4          3HG2      ILE   4   3.878  -4.575   4.833
   20   1HD1  ILE   4          1HD1      ILE   4   7.302  -2.516   1.875
   21   2HD1  ILE   4          2HD1      ILE   4   6.122  -1.981   3.073
   22   3HD1  ILE   4          3HD1      ILE   4   7.840  -1.972   3.463
   23    H    LYS   5           H        LYS   5   4.558  -8.171   2.732
   24    HA   LYS   5           HA       LYS   5   1.830  -7.792   1.987
   25   1HB   LYS   5          1HB       LYS   5   1.745 -10.179   2.298
   26   2HB   LYS   5          2HB       LYS   5   3.351  -9.793   1.686
   27   1HG   LYS   5          2HG       LYS   5   4.352 -10.057   3.824
   28   2HG   LYS   5          1HG       LYS   5   2.793 -10.009   4.649
   29   1HD   LYS   5          1HD       LYS   5   2.202 -12.174   3.921
   30   2HD   LYS   5          2HD       LYS   5   3.404 -12.167   2.632
   31   1HE   LYS   5          1HE       LYS   5   4.406 -13.544   4.277
   32   2HE   LYS   5          2HE       LYS   5   5.139 -11.958   4.600
   33   1HZ   LYS   5          1HZ       LYS   5   3.434 -11.494   6.243
   34   2HZ   LYS   5          2HZ       LYS   5   4.196 -12.979   6.623
   35   3HZ   LYS   5          3HZ       LYS   5   2.659 -12.976   5.900
   36    H    ASN   6           H        ASN   6   3.413  -7.556   5.076
   37    HA   ASN   6           HA       ASN   6   0.886  -8.003   6.585
   38   1HB   ASN   6          1HB       ASN   6   3.828  -7.805   7.179
   39   2HB   ASN   6          2HB       ASN   6   2.670  -7.573   8.487
   40   1HD2  ASN   6          1HD2      ASN   6   1.666  -9.441   9.346
   41   2HD2  ASN   6          2HD2      ASN   6   1.901 -11.003   8.728
   42    H    GLY   7           H        GLY   7   0.615  -5.723   5.047
   43   1HA   GLY   7          1HA       GLY   7  -0.312  -3.571   5.574
   44   2HA   GLY   7          2HA       GLY   7   0.520  -3.618   7.126
   45    H    GLY   8           H        GLY   8   1.594  -3.794   3.702
   46   1HA   GLY   8          1HA       GLY   8   4.030  -2.319   4.249
   47   2HA   GLY   8          2HA       GLY   8   3.397  -2.692   2.646
   48    H    ARG   9           H        ARG   9   4.245  -0.337   2.367
   49    HA   ARG   9           HA       ARG   9   2.003   1.540   3.048
   50   1HB   ARG   9          2HB       ARG   9   4.713   1.557   3.854
   51   2HB   ARG   9          1HB       ARG   9   4.558   2.839   2.656
   52   1HG   ARG   9          2HG       ARG   9   4.077   3.609   4.999
   53   2HG   ARG   9          1HG       ARG   9   2.731   3.858   3.889
   54   1HD   ARG   9          2HD       ARG   9   1.846   2.920   5.960
   55   2HD   ARG   9          1HD       ARG   9   1.757   1.659   4.718
   56    HE   ARG   9           HE       ARG   9   4.194   1.117   5.708
   57   1HH1  ARG   9          1HH2      ARG   9   3.507   2.834   8.086
   58   2HH1  ARG   9          2HH2      ARG   9   2.926   1.653   9.206
   59   1HH2  ARG   9          2HH1      ARG   9   2.524  -0.799   6.794
   60   2HH2  ARG   9          1HH1      ARG   9   2.372  -0.398   8.477
   61    H    CYS  10           H        CYS  10   1.185   2.693   1.346
   62    HA   CYS  10           HA       CYS  10   2.769   2.978  -1.155
   63   1HB   CYS  10          1HB       CYS  10   0.725   2.086  -2.416
   64   2HB   CYS  10          2HB       CYS  10   1.683   0.895  -1.546
   65    H    ASN  11           H        ASN  11   1.412   4.248  -2.800
   66    HA   ASN  11           HA       ASN  11  -0.644   6.057  -1.686
   67   1HB   ASN  11          1HB       ASN  11   1.567   6.976  -0.970
   68   2HB   ASN  11          2HB       ASN  11   2.063   7.042  -2.658
   69   1HD2  ASN  11          1HD2      ASN  11   0.641   8.888  -0.193
   70   2HD2  ASN  11          2HD2      ASN  11  -0.074  10.085  -1.167
   71    H    ALA  12           H        ALA  12  -1.915   6.929  -3.364
   72    HA   ALA  12           HA       ALA  12  -1.822   5.676  -5.954
   73   1HB   ALA  12          1HB       ALA  12  -3.243   8.259  -5.628
   74   2HB   ALA  12          2HB       ALA  12  -3.859   6.693  -6.160
   75   3HB   ALA  12          3HB       ALA  12  -3.640   7.017  -4.440
   76    H    SER  13           H        SER  13  -0.226   8.567  -4.754
   77    HA   SER  13           HA       SER  13   0.553   9.243  -7.584
   78   1HB   SER  13          1HB       SER  13  -0.949  10.860  -6.396
   79   2HB   SER  13          2HB       SER  13   0.296  11.056  -5.164
   80    HG   SER  13           HG       SER  13   1.705  11.760  -6.845
   81    H    ALA  14           H        ALA  14   2.088   7.336  -6.135
   82    HA   ALA  14           HA       ALA  14   4.530   8.939  -5.430
   83   1HB   ALA  14          1HB       ALA  14   5.038   6.970  -3.939
   84   2HB   ALA  14          2HB       ALA  14   3.577   7.847  -3.491
   85   3HB   ALA  14          3HB       ALA  14   3.453   6.316  -4.355
   86    H    GLY  15           H        GLY  15   3.951   5.465  -6.169
   87   1HA   GLY  15          1HA       GLY  15   4.624   4.626  -8.447
   88   2HA   GLY  15          2HA       GLY  15   5.996   5.725  -8.345
   89    HA   PRO  16           HA       PRO  16   8.525   2.681  -6.593
   90   1HB   PRO  16          1HB       PRO  16   9.749   3.908  -4.456
   91   2HB   PRO  16          2HB       PRO  16  10.181   4.170  -6.158
   92   1HG   PRO  16          1HG       PRO  16   8.455   5.820  -4.376
   93   2HG   PRO  16          2HG       PRO  16   9.667   6.330  -5.557
   94   1HD   PRO  16          1HD       PRO  16   7.038   6.419  -6.110
   95   2HD   PRO  16          2HD       PRO  16   8.247   6.036  -7.356
   96    HA   PRO  17           HA       PRO  17   6.809   1.989  -2.171
   97   1HB   PRO  17          1HB       PRO  17   4.528   3.309  -1.451
   98   2HB   PRO  17          2HB       PRO  17   6.152   3.947  -1.123
   99   1HG   PRO  17          1HG       PRO  17   4.234   4.672  -3.276
  100   2HG   PRO  17          2HG       PRO  17   5.321   5.707  -2.336
  101   1HD   PRO  17          1HD       PRO  17   5.835   4.888  -4.891
  102   2HD   PRO  17          2HD       PRO  17   7.093   5.310  -3.713
  103    H    TYR  18           H        TYR  18   6.326   0.450  -4.199
  104    HA   TYR  18           HA       TYR  18   3.475   0.112  -4.831
  105   1HB   TYR  18          1HB       TYR  18   4.338  -1.701  -6.271
  106   2HB   TYR  18          2HB       TYR  18   5.275  -0.225  -6.491
  107    HD1  TYR  18           HD1      TYR  18   7.601  -0.180  -6.067
  108    HD2  TYR  18           HD2      TYR  18   5.240  -3.497  -4.710
  109    HE1  TYR  18           HE1      TYR  18   9.672  -1.403  -5.455
  110    HE2  TYR  18           HE2      TYR  18   7.310  -4.719  -4.098
  111    HH   TYR  18           HH       TYR  18   9.600  -4.289  -3.550
  112    H    CYS  19           H        CYS  19   2.335  -1.959  -4.422
  113    HA   CYS  19           HA       CYS  19   2.866  -2.947  -1.684
  114   1HB   CYS  19          1HB       CYS  19   0.617  -3.391  -3.669
  115   2HB   CYS  19          2HB       CYS  19   0.595  -3.903  -1.987
  116    H    CYS  20           H        CYS  20   2.416  -5.411  -1.366
  117    HA   CYS  20           HA       CYS  20   4.373  -6.886  -2.948
  118   1HB   CYS  20          1HB       CYS  20   3.793  -7.032  -0.435
  119   2HB   CYS  20          2HB       CYS  20   2.450  -8.050  -0.946
  120    H    SER  21           H        SER  21   0.859  -7.490  -2.396
  121    HA   SER  21           HA       SER  21   0.924  -9.304  -4.767
  122   1HB   SER  21          1HB       SER  21  -1.090  -8.848  -2.545
  123   2HB   SER  21          2HB       SER  21  -1.276 -10.046  -3.823
  124    HG   SER  21           HG       SER  21   0.710 -10.968  -3.093
  125    H    SER  22           H        SER  22  -1.681  -7.213  -3.504
  126    HA   SER  22           HA       SER  22  -1.723  -5.527  -5.855
  127   1HB   SER  22          1HB       SER  22  -3.331  -8.020  -5.692
  128   2HB   SER  22          2HB       SER  22  -4.132  -6.604  -6.369
  129    HG   SER  22           HG       SER  22  -1.544  -7.471  -7.185
  130    H    TYR  23           H        TYR  23  -2.218  -5.601  -2.709
  131    HA   TYR  23           HA       TYR  23  -4.746  -3.979  -2.830
  132   1HB   TYR  23          1HB       TYR  23  -4.573  -6.204  -1.496
  133   2HB   TYR  23          2HB       TYR  23  -3.595  -5.256  -0.379
  134    HD1  TYR  23           HD1      TYR  23  -4.529  -3.342   0.844
  135    HD2  TYR  23           HD2      TYR  23  -6.964  -5.786  -1.715
  136    HE1  TYR  23           HE1      TYR  23  -6.571  -2.372   1.861
  137    HE2  TYR  23           HE2      TYR  23  -9.007  -4.815  -0.695
  138    HH   TYR  23           HH       TYR  23  -9.395  -3.612   1.862
  139    H    CYS  24           H        CYS  24  -4.740  -2.006  -1.860
  140    HA   CYS  24           HA       CYS  24  -2.424  -1.021  -0.300
  141   1HB   CYS  24          1HB       CYS  24  -1.698  -0.629  -2.580
  142   2HB   CYS  24          2HB       CYS  24  -3.271   0.032  -3.022
  143    H    PHE  25           H        PHE  25  -3.651  -0.289   1.456
  144    HA   PHE  25           HA       PHE  25  -6.233   1.115   0.947
  145   1HB   PHE  25          1HB       PHE  25  -5.511  -0.754   2.722
  146   2HB   PHE  25          2HB       PHE  25  -5.045   0.660   3.648
  147    HD1  PHE  25           HD1      PHE  25  -7.895  -1.041   1.990
  148    HD2  PHE  25           HD2      PHE  25  -6.670   2.185   4.548
  149    HE1  PHE  25           HE1      PHE  25 -10.260  -0.628   2.599
  150    HE2  PHE  25           HE2      PHE  25  -9.036   2.600   5.158
  151    HZ   PHE  25           HZ       PHE  25 -10.834   1.192   4.185
  152    H    GLN  26           H        GLN  26  -5.374   3.151   0.120
  153    HA   GLN  26           HA       GLN  26  -3.859   4.774   2.143
  154   1HB   GLN  26          1HB       GLN  26  -2.646   4.204   0.066
  155   2HB   GLN  26          2HB       GLN  26  -3.944   4.911  -0.878
  156   1HG   GLN  26          1HG       GLN  26  -3.054   6.796   1.127
  157   2HG   GLN  26          2HG       GLN  26  -1.680   6.239   0.176
  158   1HE2  GLN  26          1HE2      GLN  26  -3.946   8.656   0.231
  159   2HE2  GLN  26          2HE2      GLN  26  -4.053   8.977  -1.435
  160    H    ILE  27           H        ILE  27  -4.607   6.853   2.611
  161    HA   ILE  27           HA       ILE  27  -7.271   7.573   1.421
  162    HB   ILE  27           HB       ILE  27  -6.970   8.946   3.843
  163   1HG1  ILE  27          1HG1      ILE  27  -6.132   6.041   4.155
  164   2HG1  ILE  27          2HG1      ILE  27  -5.118   7.445   4.493
  165   1HG2  ILE  27          1HG2      ILE  27  -8.938   7.826   4.413
  166   2HG2  ILE  27          2HG2      ILE  27  -8.937   7.700   2.652
  167   3HG2  ILE  27          3HG2      ILE  27  -8.425   6.327   3.637
  168   1HD1  ILE  27          1HD1      ILE  27  -5.978   7.570   6.568
  169   2HD1  ILE  27          2HD1      ILE  27  -7.593   7.782   5.890
  170   3HD1  ILE  27          3HD1      ILE  27  -6.986   6.162   6.233
  171    H    ALA  28           H        ALA  28  -7.719   9.942   1.385
  172    HA   ALA  28           HA       ALA  28  -5.367  11.422   0.367
  173   1HB   ALA  28          1HB       ALA  28  -7.499  11.281  -0.871
  174   2HB   ALA  28          2HB       ALA  28  -8.335  12.050   0.479
  175   3HB   ALA  28          3HB       ALA  28  -7.132  12.952  -0.444
  176    H    GLY  29           H        GLY  29  -6.701  11.088   3.426
  177   1HA   GLY  29          1HA       GLY  29  -6.860  13.820   4.322
  178   2HA   GLY  29          2HA       GLY  29  -6.655  12.416   5.370
  179    H    GLN  30           H        GLN  30  -4.261  11.379   4.625
  180    HA   GLN  30           HA       GLN  30  -2.322  13.646   5.003
  181   1HB   GLN  30          1HB       GLN  30  -3.032  11.673   6.783
  182   2HB   GLN  30          2HB       GLN  30  -1.596  10.982   6.027
  183   1HG   GLN  30          1HG       GLN  30  -1.144  13.780   6.577
  184   2HG   GLN  30          2HG       GLN  30  -1.681  12.966   8.046
  185   1HE2  GLN  30          1HE2      GLN  30   0.471  12.031   5.283
  186   2HE2  GLN  30          2HE2      GLN  30   1.727  11.476   6.285
  187    H    SER  31           H        SER  31  -3.277  11.453   2.753
  188    HA   SER  31           HA       SER  31  -2.278  10.574   0.813
  189   1HB   SER  31          1HB       SER  31  -1.128  12.947   1.201
  190   2HB   SER  31          2HB       SER  31   0.293  11.947   1.502
  191    HG   SER  31           HG       SER  31  -0.021  12.549  -0.740
  192    H    TYR  32           H        TYR  32  -2.274   8.889   2.981
  193    HA   TYR  32           HA       TYR  32   0.296   7.412   2.599
  194   1HB   TYR  32          1HB       TYR  32   0.623   7.198   4.933
  195   2HB   TYR  32          2HB       TYR  32   0.124   8.873   4.730
  196    HD1  TYR  32           HD1      TYR  32  -0.691   5.650   6.175
  197    HD2  TYR  32           HD2      TYR  32  -2.274   9.516   5.186
  198    HE1  TYR  32           HE1      TYR  32  -2.588   5.272   7.732
  199    HE2  TYR  32           HE2      TYR  32  -4.171   9.137   6.743
  200    HH   TYR  32           HH       TYR  32  -4.253   7.205   9.088
  201    H    GLY  33           H        GLY  33   0.030   5.131   2.555
  202   1HA   GLY  33          1HA       GLY  33  -2.668   4.068   3.205
  203   2HA   GLY  33          2HA       GLY  33  -2.063   3.828   1.572
  204    H    VAL  34           H        VAL  34  -2.733   1.637   3.005
  205    HA   VAL  34           HA       VAL  34  -0.054   0.485   3.742
  206    HB   VAL  34           HB       VAL  34  -1.326  -0.973   5.334
  207   1HG1  VAL  34          1HG1      VAL  34  -1.458   0.660   7.020
  208   2HG1  VAL  34          2HG1      VAL  34  -0.340   1.376   5.861
  209   3HG1  VAL  34          3HG1      VAL  34  -2.022   1.901   5.904
  210   1HG2  VAL  34          1HG2      VAL  34  -3.521  -0.546   3.948
  211   2HG2  VAL  34          2HG2      VAL  34  -3.623  -0.744   5.696
  212   3HG2  VAL  34          3HG2      VAL  34  -3.676   0.870   4.988
  213    H    CYS  35           H        CYS  35   0.515  -1.372   2.631
  214    HA   CYS  35           HA       CYS  35  -1.305  -2.285   0.499
  215   1HB   CYS  35          1HB       CYS  35   1.511  -3.027   1.274
  216   2HB   CYS  35          2HB       CYS  35   0.695  -3.597  -0.165
  217    H    LYS  36           H        LYS  36  -1.744  -4.484   0.137
  218    HA   LYS  36           HA       LYS  36  -1.445  -6.435   2.351
  219   1HB   LYS  36          1HB       LYS  36  -3.759  -4.814   1.853
  220   2HB   LYS  36          2HB       LYS  36  -4.176  -6.509   1.629
  221   1HG   LYS  36          2HG       LYS  36  -2.580  -5.626   4.028
  222   2HG   LYS  36          1HG       LYS  36  -4.337  -5.471   4.025
  223   1HD   LYS  36          1HD       LYS  36  -4.621  -7.684   4.359
  224   2HD   LYS  36          2HD       LYS  36  -3.502  -8.090   3.065
  225   1HE   LYS  36          1HE       LYS  36  -1.949  -7.037   5.218
  226   2HE   LYS  36          2HE       LYS  36  -3.052  -8.253   5.888
  227   1HZ   LYS  36          1HZ       LYS  36  -1.675  -9.774   5.032
  228   2HZ   LYS  36          2HZ       LYS  36  -0.796  -8.614   4.142
  229   3HZ   LYS  36          3HZ       LYS  36  -2.218  -9.327   3.478
  230    H    ASN  37           H        ASN  37  -3.268  -8.308   1.394
  231    HA   ASN  37           HA       ASN  37  -1.883  -9.499  -0.835
  232   1HB   ASN  37          1HB       ASN  37  -4.553 -10.105   0.492
  233   2HB   ASN  37          2HB       ASN  37  -3.667 -11.212  -0.554
  234   1HD2  ASN  37          1HD2      ASN  37  -2.259 -12.609   0.524
  235   2HD2  ASN  37          2HD2      ASN  37  -1.643 -12.352   2.085
  236    H    ARG  38           H        ARG  38  -5.428  -9.150  -0.890
  237    HA   ARG  38           HA       ARG  38  -5.538  -7.266  -3.056
  238   1HB   ARG  38          1HB       ARG  38  -4.502  -9.347  -4.088
  239   2HB   ARG  38          2HB       ARG  38  -6.027 -10.171  -3.763
  240   1HG   ARG  38          1HG       ARG  38  -6.291  -7.564  -5.138
  241   2HG   ARG  38          2HG       ARG  38  -5.495  -8.825  -6.081
  242   1HD   ARG  38          1HD       ARG  38  -7.406 -10.090  -6.246
  243   2HD   ARG  38          2HD       ARG  38  -7.955  -9.650  -4.614
  244    HE   ARG  38           HE       ARG  38  -7.977  -7.551  -6.735
  245   1HH1  ARG  38          1HH1      ARG  38  -9.182  -7.621  -3.855
  246   2HH1  ARG  38          2HH1      ARG  38 -10.875  -7.693  -4.268
  247   1HH2  ARG  38          1HH2      ARG  38 -10.299  -8.527  -7.574
  248   2HH2  ARG  38          2HH2      ARG  38 -11.502  -8.207  -6.374
  Start of MODEL    5
    1    HA   ALA   1           HA       ALA   1  12.969  -5.670  -4.270
    2   1HB   ALA   1          1HB       ALA   1  10.444  -5.257  -4.564
    3   2HB   ALA   1          2HB       ALA   1  11.188  -6.385  -5.698
    4   3HB   ALA   1          3HB       ALA   1  10.247  -6.994  -4.338
    5    H    GLY   2           H        GLY   2  11.532  -3.880  -3.047
    6   1HA   GLY   2          1HA       GLY   2  11.716  -4.541  -0.146
    7   2HA   GLY   2          2HA       GLY   2  11.740  -2.913  -0.819
    8    H    CYS   3           H        CYS   3   9.643  -5.659  -0.054
    9    HA   CYS   3           HA       CYS   3   7.393  -3.763   0.290
   10   1HB   CYS   3          1HB       CYS   3   5.957  -4.906  -1.281
   11   2HB   CYS   3          2HB       CYS   3   7.457  -4.523  -2.121
   12    H    ILE   4           H        ILE   4   5.492  -4.882   1.322
   13    HA   ILE   4           HA       ILE   4   6.382  -7.253   2.946
   14    HB   ILE   4           HB       ILE   4   4.723  -4.803   3.621
   15   1HG1  ILE   4          1HG1      ILE   4   7.087  -5.826   5.165
   16   2HG1  ILE   4          2HG1      ILE   4   7.370  -4.959   3.655
   17   1HG2  ILE   4          1HG2      ILE   4   4.648  -5.872   5.936
   18   2HG2  ILE   4          2HG2      ILE   4   3.611  -6.615   4.719
   19   3HG2  ILE   4          3HG2      ILE   4   5.140  -7.377   5.159
   20   1HD1  ILE   4          1HD1      ILE   4   7.073  -3.731   6.066
   21   2HD1  ILE   4          2HD1      ILE   4   6.695  -2.962   4.524
   22   3HD1  ILE   4          3HD1      ILE   4   5.410  -3.701   5.479
   23    H    LYS   5           H        LYS   5   5.155  -9.028   2.481
   24    HA   LYS   5           HA       LYS   5   3.018  -9.180   0.695
   25   1HB   LYS   5          1HB       LYS   5   4.544 -10.905   2.145
   26   2HB   LYS   5          2HB       LYS   5   2.992 -11.086   2.964
   27   1HG   LYS   5          2HG       LYS   5   2.782 -11.035   0.027
   28   2HG   LYS   5          1HG       LYS   5   3.708 -12.402   0.652
   29   1HD   LYS   5          1HD       LYS   5   1.890 -13.158   1.991
   30   2HD   LYS   5          2HD       LYS   5   1.018 -11.635   1.804
   31   1HE   LYS   5          1HE       LYS   5   0.715 -12.095  -0.612
   32   2HE   LYS   5          2HE       LYS   5   1.579 -13.636  -0.419
   33   1HZ   LYS   5          1HZ       LYS   5  -0.823 -13.953  -0.202
   34   2HZ   LYS   5          2HZ       LYS   5  -0.887 -12.817   1.073
   35   3HZ   LYS   5          3HZ       LYS   5  -0.041 -14.294   1.265
   36    H    ASN   6           H        ASN   6   2.818  -8.853   4.256
   37    HA   ASN   6           HA       ASN   6  -0.059  -8.059   3.923
   38   1HB   ASN   6          1HB       ASN   6   0.172 -10.360   4.757
   39   2HB   ASN   6          2HB       ASN   6   1.253  -9.805   6.034
   40   1HD2  ASN   6          1HD2      ASN   6   0.235  -9.400   7.995
   41   2HD2  ASN   6          2HD2      ASN   6  -1.411  -9.043   8.181
   42    H    GLY   7           H        GLY   7   0.258  -5.814   4.218
   43   1HA   GLY   7          1HA       GLY   7   0.135  -4.057   5.916
   44   2HA   GLY   7          2HA       GLY   7   1.229  -5.004   6.925
   45    H    GLY   8           H        GLY   8   1.177  -3.409   3.722
   46   1HA   GLY   8          1HA       GLY   8   4.033  -2.624   4.210
   47   2HA   GLY   8          2HA       GLY   8   3.411  -3.000   2.602
   48    H    ARG   9           H        ARG   9   4.570  -0.564   2.822
   49    HA   ARG   9           HA       ARG   9   2.341   1.394   3.261
   50   1HB   ARG   9          2HB       ARG   9   4.725   1.411   4.381
   51   2HB   ARG   9          1HB       ARG   9   5.239   2.086   2.833
   52   1HG   ARG   9          2HG       ARG   9   4.682   4.052   3.891
   53   2HG   ARG   9          1HG       ARG   9   3.090   3.639   3.253
   54   1HD   ARG   9          2HD       ARG   9   3.060   2.232   5.597
   55   2HD   ARG   9          1HD       ARG   9   4.047   3.635   6.058
   56    HE   ARG   9           HE       ARG   9   1.335   3.872   4.788
   57   1HH1  ARG   9          2HH1      ARG   9   3.110   6.269   4.707
   58   2HH1  ARG   9          1HH1      ARG   9   2.633   7.123   6.135
   59   1HH2  ARG   9          1HH2      ARG   9   1.049   4.389   7.535
   60   2HH2  ARG   9          2HH2      ARG   9   1.452   6.058   7.733
   61    H    CYS  10           H        CYS  10   1.490   2.468   1.488
   62    HA   CYS  10           HA       CYS  10   3.099   2.686  -1.011
   63   1HB   CYS  10          1HB       CYS  10   1.184   1.666  -2.299
   64   2HB   CYS  10          2HB       CYS  10   2.002   0.535  -1.228
   65    H    ASN  11           H        ASN  11   1.295   3.647  -2.746
   66    HA   ASN  11           HA       ASN  11  -0.521   5.621  -1.537
   67   1HB   ASN  11          1HB       ASN  11   2.212   6.227  -1.923
   68   2HB   ASN  11          2HB       ASN  11   1.364   7.032  -3.243
   69   1HD2  ASN  11          1HD2      ASN  11   1.587   6.838   0.304
   70   2HD2  ASN  11          2HD2      ASN  11   0.776   8.305   0.597
   71    H    ALA  12           H        ALA  12  -2.107   6.158  -3.029
   72    HA   ALA  12           HA       ALA  12  -2.080   4.787  -5.637
   73   1HB   ALA  12          1HB       ALA  12  -4.051   4.833  -4.152
   74   2HB   ALA  12          2HB       ALA  12  -4.084   6.594  -4.238
   75   3HB   ALA  12          3HB       ALA  12  -4.420   5.636  -5.678
   76    H    SER  13           H        SER  13  -0.064   6.434  -5.974
   77    HA   SER  13           HA       SER  13  -1.152   8.687  -7.630
   78   1HB   SER  13          1HB       SER  13  -0.391   9.513  -5.425
   79   2HB   SER  13          2HB       SER  13   1.186   8.774  -5.692
   80    HG   SER  13           HG       SER  13   0.665  11.154  -6.306
   81    H    ALA  14           H        ALA  14   1.317   9.655  -8.533
   82    HA   ALA  14           HA       ALA  14   2.163   7.434 -10.324
   83   1HB   ALA  14          1HB       ALA  14   1.442   9.733 -11.101
   84   2HB   ALA  14          2HB       ALA  14   2.894  10.380 -10.337
   85   3HB   ALA  14          3HB       ALA  14   3.036   9.245 -11.679
   86    H    GLY  15           H        GLY  15   3.683   6.181  -9.195
   87   1HA   GLY  15          1HA       GLY  15   6.365   6.818  -9.069
   88   2HA   GLY  15          2HA       GLY  15   5.751   7.412  -7.528
   89    HA   PRO  16           HA       PRO  16   5.943   3.440  -5.765
   90   1HB   PRO  16          1HB       PRO  16   3.550   3.141  -4.456
   91   2HB   PRO  16          2HB       PRO  16   4.855   4.203  -3.884
   92   1HG   PRO  16          1HG       PRO  16   2.402   4.891  -5.440
   93   2HG   PRO  16          2HG       PRO  16   3.143   5.740  -4.072
   94   1HD   PRO  16          1HD       PRO  16   3.479   6.568  -6.609
   95   2HD   PRO  16          2HD       PRO  16   4.761   6.731  -5.386
   96    HA   PRO  17           HA       PRO  17   3.906   1.002  -8.942
   97   1HB   PRO  17          1HB       PRO  17   5.410  -1.260  -8.576
   98   2HB   PRO  17          2HB       PRO  17   5.999   0.157  -9.469
   99   1HG   PRO  17          1HG       PRO  17   6.581  -0.703  -6.683
  100   2HG   PRO  17          2HG       PRO  17   7.650   0.039  -7.885
  101   1HD   PRO  17          1HD       PRO  17   6.504   1.400  -5.806
  102   2HD   PRO  17          2HD       PRO  17   7.010   2.156  -7.333
  103    H    TYR  18           H        TYR  18   3.477  -1.718  -8.660
  104    HA   TYR  18           HA       TYR  18   1.213  -1.919  -6.968
  105   1HB   TYR  18          1HB       TYR  18   1.490  -4.388  -7.429
  106   2HB   TYR  18          2HB       TYR  18   1.541  -3.374  -8.867
  107    HD1  TYR  18           HD1      TYR  18   3.701  -5.121  -6.377
  108    HD2  TYR  18           HD2      TYR  18   3.433  -3.373 -10.289
  109    HE1  TYR  18           HE1      TYR  18   5.930  -6.052  -6.943
  110    HE2  TYR  18           HE2      TYR  18   5.664  -4.301 -10.857
  111    HH   TYR  18           HH       TYR  18   7.639  -5.129  -9.817
  112    H    CYS  19           H        CYS  19   0.897  -3.059  -4.959
  113    HA   CYS  19           HA       CYS  19   3.005  -2.674  -2.993
  114   1HB   CYS  19          1HB       CYS  19   0.202  -3.738  -3.078
  115   2HB   CYS  19          2HB       CYS  19   1.169  -4.031  -1.634
  116    H    CYS  20           H        CYS  20   3.085  -4.847  -1.352
  117    HA   CYS  20           HA       CYS  20   4.827  -6.675  -2.756
  118   1HB   CYS  20          1HB       CYS  20   4.576  -5.867  -0.248
  119   2HB   CYS  20          2HB       CYS  20   3.588  -7.313  -0.126
  120    H    SER  21           H        SER  21   1.461  -7.016  -1.589
  121    HA   SER  21           HA       SER  21   1.392  -9.768  -2.767
  122   1HB   SER  21          1HB       SER  21  -0.286  -8.199  -0.806
  123   2HB   SER  21          2HB       SER  21  -0.910  -9.670  -1.546
  124    HG   SER  21           HG       SER  21   0.660  -9.472   0.544
  125    H    SER  22           H        SER  22  -1.119  -7.282  -2.485
  126    HA   SER  22           HA       SER  22  -1.292  -6.659  -5.273
  127   1HB   SER  22          1HB       SER  22  -2.708  -9.041  -4.221
  128   2HB   SER  22          2HB       SER  22  -3.647  -7.997  -5.286
  129    HG   SER  22           HG       SER  22  -1.045  -9.017  -5.854
  130    H    TYR  23           H        TYR  23  -1.832  -5.629  -2.292
  131    HA   TYR  23           HA       TYR  23  -4.270  -4.090  -3.089
  132   1HB   TYR  23          1HB       TYR  23  -4.558  -6.111  -1.514
  133   2HB   TYR  23          2HB       TYR  23  -3.745  -5.108  -0.319
  134    HD1  TYR  23           HD1      TYR  23  -6.642  -5.112  -2.680
  135    HD2  TYR  23           HD2      TYR  23  -4.917  -3.436   0.878
  136    HE1  TYR  23           HE1      TYR  23  -8.753  -3.889  -2.225
  137    HE2  TYR  23           HE2      TYR  23  -7.028  -2.223   1.332
  138    HH   TYR  23           HH       TYR  23  -9.718  -2.837   0.443
  139    H    CYS  24           H        CYS  24  -4.448  -2.055  -2.117
  140    HA   CYS  24           HA       CYS  24  -2.302  -1.015  -0.371
  141   1HB   CYS  24          1HB       CYS  24  -1.406  -0.735  -2.644
  142   2HB   CYS  24          2HB       CYS  24  -2.909   0.021  -3.171
  143    H    PHE  25           H        PHE  25  -3.463   0.108   1.168
  144    HA   PHE  25           HA       PHE  25  -6.113   1.309   0.398
  145   1HB   PHE  25          1HB       PHE  25  -5.522  -0.600   2.180
  146   2HB   PHE  25          2HB       PHE  25  -5.224   0.794   3.194
  147    HD1  PHE  25           HD1      PHE  25  -6.996   1.709   4.385
  148    HD2  PHE  25           HD2      PHE  25  -7.798  -0.440   0.753
  149    HE1  PHE  25           HE1      PHE  25  -9.429   2.006   4.747
  150    HE2  PHE  25           HE2      PHE  25 -10.231  -0.145   1.115
  151    HZ   PHE  25           HZ       PHE  25 -11.048   1.081   3.113
  152    H    GLN  26           H        GLN  26  -5.905   3.552   0.163
  153    HA   GLN  26           HA       GLN  26  -4.203   4.985   2.185
  154   1HB   GLN  26          1HB       GLN  26  -3.051   5.017   0.107
  155   2HB   GLN  26          2HB       GLN  26  -4.529   5.334  -0.790
  156   1HG   GLN  26          1HG       GLN  26  -4.709   7.544   0.363
  157   2HG   GLN  26          2HG       GLN  26  -3.168   7.221   1.153
  158   1HE2  GLN  26          1HE2      GLN  26  -3.286   9.478  -0.453
  159   2HE2  GLN  26          2HE2      GLN  26  -2.422   9.220  -1.890
  160    H    ILE  27           H        ILE  27  -5.025   6.948   2.978
  161    HA   ILE  27           HA       ILE  27  -7.777   7.719   2.082
  162    HB   ILE  27           HB       ILE  27  -7.487   8.227   4.865
  163   1HG1  ILE  27          1HG1      ILE  27  -6.880   5.349   4.102
  164   2HG1  ILE  27          2HG1      ILE  27  -5.751   6.452   4.889
  165   1HG2  ILE  27          1HG2      ILE  27  -9.188   6.589   3.042
  166   2HG2  ILE  27          2HG2      ILE  27  -9.301   6.268   4.771
  167   3HG2  ILE  27          3HG2      ILE  27  -9.653   7.880   4.150
  168   1HD1  ILE  27          1HD1      ILE  27  -6.709   6.153   6.920
  169   2HD1  ILE  27          2HD1      ILE  27  -8.339   6.279   6.263
  170   3HD1  ILE  27          3HD1      ILE  27  -7.480   4.740   6.201
  171    H    ALA  28           H        ALA  28  -8.368   9.951   2.953
  172    HA   ALA  28           HA       ALA  28  -6.224  11.826   2.274
  173   1HB   ALA  28          1HB       ALA  28  -9.068  12.271   3.241
  174   2HB   ALA  28          2HB       ALA  28  -8.051  13.453   2.416
  175   3HB   ALA  28          3HB       ALA  28  -8.608  12.017   1.556
  176    H    GLY  29           H        GLY  29  -5.500  13.545   3.659
  177   1HA   GLY  29          1HA       GLY  29  -5.754  14.576   5.998
  178   2HA   GLY  29          2HA       GLY  29  -5.642  12.912   6.579
  179    H    GLN  30           H        GLN  30  -3.684  11.874   4.990
  180    HA   GLN  30           HA       GLN  30  -1.303  13.651   5.342
  181   1HB   GLN  30          1HB       GLN  30  -1.936  11.939   7.234
  182   2HB   GLN  30          2HB       GLN  30  -1.240  10.755   6.128
  183   1HG   GLN  30          1HG       GLN  30   0.648  12.734   6.039
  184   2HG   GLN  30          2HG       GLN  30   0.090  12.866   7.706
  185   1HE2  GLN  30          1HE2      GLN  30   2.331  12.017   8.242
  186   2HE2  GLN  30          2HE2      GLN  30   2.596  10.344   8.187
  187    H    SER  31           H        SER  31  -3.003  11.584   3.256
  188    HA   SER  31           HA       SER  31  -2.472  10.704   1.139
  189   1HB   SER  31          1HB       SER  31  -1.170  12.983   1.242
  190   2HB   SER  31          2HB       SER  31   0.253  11.956   1.410
  191    HG   SER  31           HG       SER  31  -0.244  10.990  -0.543
  192    H    TYR  32           H        TYR  32  -2.215   8.931   3.181
  193    HA   TYR  32           HA       TYR  32   0.322   7.470   2.529
  194   1HB   TYR  32          1HB       TYR  32   0.457   6.812   4.841
  195   2HB   TYR  32          2HB       TYR  32   0.198   8.552   4.805
  196    HD1  TYR  32           HD1      TYR  32  -2.119   9.468   5.222
  197    HD2  TYR  32           HD2      TYR  32  -1.123   5.339   5.846
  198    HE1  TYR  32           HE1      TYR  32  -4.132   9.197   6.649
  199    HE2  TYR  32           HE2      TYR  32  -3.136   5.068   7.271
  200    HH   TYR  32           HH       TYR  32  -4.842   7.619   8.546
  201    H    GLY  33           H        GLY  33   0.067   5.371   1.857
  202   1HA   GLY  33          1HA       GLY  33  -2.648   4.150   2.155
  203   2HA   GLY  33          2HA       GLY  33  -1.682   3.959   0.695
  204    H    VAL  34           H        VAL  34  -2.718   1.870   2.559
  205    HA   VAL  34           HA       VAL  34  -0.061   0.735   3.437
  206    HB   VAL  34           HB       VAL  34  -1.438  -0.531   5.107
  207   1HG1  VAL  34          1HG1      VAL  34  -0.387   1.695   5.614
  208   2HG1  VAL  34          2HG1      VAL  34  -1.924   2.459   5.208
  209   3HG1  VAL  34          3HG1      VAL  34  -1.824   1.355   6.579
  210   1HG2  VAL  34          1HG2      VAL  34  -3.558  -0.174   3.561
  211   2HG2  VAL  34          2HG2      VAL  34  -3.741  -0.262   5.312
  212   3HG2  VAL  34          3HG2      VAL  34  -3.734   1.306   4.504
  213    H    CYS  35           H        CYS  35   0.476  -1.316   2.658
  214    HA   CYS  35           HA       CYS  35  -1.204  -2.372   0.473
  215   1HB   CYS  35          1HB       CYS  35   1.431  -3.293   1.611
  216   2HB   CYS  35          2HB       CYS  35   0.719  -3.841   0.111
  217    H    LYS  36           H        LYS  36  -1.845  -4.554   0.374
  218    HA   LYS  36           HA       LYS  36  -1.889  -6.158   2.878
  219   1HB   LYS  36          1HB       LYS  36  -4.046  -4.597   1.716
  220   2HB   LYS  36          2HB       LYS  36  -4.505  -6.270   1.990
  221   1HG   LYS  36          2HG       LYS  36  -3.117  -4.611   4.102
  222   2HG   LYS  36          1HG       LYS  36  -4.874  -4.631   3.938
  223   1HD   LYS  36          1HD       LYS  36  -5.056  -6.834   4.618
  224   2HD   LYS  36          2HD       LYS  36  -3.446  -7.258   4.035
  225   1HE   LYS  36          1HE       LYS  36  -2.406  -6.047   5.891
  226   2HE   LYS  36          2HE       LYS  36  -4.002  -5.512   6.460
  227   1HZ   LYS  36          1HZ       LYS  36  -3.476  -7.489   7.658
  228   2HZ   LYS  36          2HZ       LYS  36  -2.990  -8.313   6.241
  229   3HZ   LYS  36          3HZ       LYS  36  -4.636  -7.925   6.499
  230    H    ASN  37           H        ASN  37  -3.243  -8.301   2.300
  231    HA   ASN  37           HA       ASN  37  -1.890  -9.758   0.277
  232   1HB   ASN  37          1HB       ASN  37  -4.391 -10.048   1.900
  233   2HB   ASN  37          2HB       ASN  37  -4.149 -11.171   0.563
  234   1HD2  ASN  37          1HD2      ASN  37  -3.549 -10.849   3.827
  235   2HD2  ASN  37          2HD2      ASN  37  -2.194 -11.860   3.955
  236    H    ARG  38           H        ARG  38  -5.342  -8.769   0.103
  237    HA   ARG  38           HA       ARG  38  -5.084  -7.762  -2.593
  238   1HB   ARG  38          1HB       ARG  38  -5.327 -10.524  -2.261
  239   2HB   ARG  38          2HB       ARG  38  -6.959  -9.993  -2.666
  240   1HG   ARG  38          1HG       ARG  38  -4.777  -8.788  -4.271
  241   2HG   ARG  38          2HG       ARG  38  -5.058 -10.506  -4.538
  242   1HD   ARG  38          1HD       ARG  38  -6.533  -9.493  -6.081
  243   2HD   ARG  38          2HD       ARG  38  -7.590  -9.786  -4.684
  244    HE   ARG  38           HE       ARG  38  -7.144  -7.410  -3.975
  245   1HH1  ARG  38          1HH1      ARG  38  -8.523  -7.643  -6.722
  246   2HH1  ARG  38          2HH1      ARG  38  -7.698  -6.402  -7.599
  247   1HH2  ARG  38          1HH2      ARG  38  -5.136  -6.119  -5.274
  248   2HH2  ARG  38          2HH2      ARG  38  -5.782  -5.542  -6.778
  Start of MODEL    6
    1    HA   ALA   1           HA       ALA   1  12.582  -1.990  -5.582
    2   1HB   ALA   1          1HB       ALA   1  10.666  -0.554  -4.614
    3   2HB   ALA   1          2HB       ALA   1  11.182  -0.177  -6.257
    4   3HB   ALA   1          3HB       ALA   1   9.711  -1.113  -5.989
    5    H    GLY   2           H        GLY   2  11.867  -1.981  -3.140
    6   1HA   GLY   2          1HA       GLY   2  11.362  -4.695  -2.331
    7   2HA   GLY   2          2HA       GLY   2  11.409  -3.301  -1.252
    8    H    CYS   3           H        CYS   3   9.413  -5.692  -2.325
    9    HA   CYS   3           HA       CYS   3   6.941  -4.012  -2.160
   10   1HB   CYS   3          1HB       CYS   3   5.898  -5.780  -3.404
   11   2HB   CYS   3          2HB       CYS   3   7.477  -5.541  -4.148
   12    H    ILE   4           H        ILE   4   5.387  -4.466  -0.577
   13    HA   ILE   4           HA       ILE   4   6.215  -6.386   1.570
   14    HB   ILE   4           HB       ILE   4   4.342  -3.991   1.590
   15   1HG1  ILE   4          1HG1      ILE   4   6.717  -3.366   1.309
   16   2HG1  ILE   4          2HG1      ILE   4   6.141  -2.916   2.913
   17   1HG2  ILE   4          1HG2      ILE   4   3.579  -5.394   3.328
   18   2HG2  ILE   4          2HG2      ILE   4   5.206  -5.966   3.700
   19   3HG2  ILE   4          3HG2      ILE   4   4.725  -4.329   4.144
   20   1HD1  ILE   4          1HD1      ILE   4   8.191  -4.885   2.140
   21   2HD1  ILE   4          2HD1      ILE   4   7.978  -4.022   3.663
   22   3HD1  ILE   4          3HD1      ILE   4   7.042  -5.480   3.340
   23    H    LYS   5           H        LYS   5   4.931  -8.174   1.892
   24    HA   LYS   5           HA       LYS   5   2.754  -8.771   0.120
   25   1HB   LYS   5          1HB       LYS   5   4.426 -10.337   1.217
   26   2HB   LYS   5          2HB       LYS   5   3.497 -10.151   2.704
   27   1HG   LYS   5          2HG       LYS   5   2.433 -12.009   1.838
   28   2HG   LYS   5          1HG       LYS   5   1.467 -10.748   1.066
   29   1HD   LYS   5          1HD       LYS   5   3.174 -10.859  -0.862
   30   2HD   LYS   5          2HD       LYS   5   3.724 -12.368  -0.131
   31   1HE   LYS   5          1HE       LYS   5   2.090 -13.311  -1.438
   32   2HE   LYS   5          2HE       LYS   5   0.995 -12.744  -0.158
   33   1HZ   LYS   5          1HZ       LYS   5   0.302 -11.894  -2.325
   34   2HZ   LYS   5          2HZ       LYS   5   1.822 -11.173  -2.554
   35   3HZ   LYS   5          3HZ       LYS   5   0.783 -10.604  -1.308
   36    H    ASN   6           H        ASN   6   2.864  -7.787   3.561
   37    HA   ASN   6           HA       ASN   6  -0.012  -7.040   3.388
   38   1HB   ASN   6          1HB       ASN   6   0.961  -9.478   4.447
   39   2HB   ASN   6          2HB       ASN   6   0.501  -8.493   5.834
   40   1HD2  ASN   6          1HD2      ASN   6  -0.782  -9.582   2.654
   41   2HD2  ASN   6          2HD2      ASN   6  -2.405  -9.611   3.162
   42    H    GLY   7           H        GLY   7  -0.383  -5.159   4.538
   43   1HA   GLY   7          1HA       GLY   7  -0.132  -3.483   6.185
   44   2HA   GLY   7          2HA       GLY   7   0.994  -4.543   7.029
   45    H    GLY   8           H        GLY   8   1.377  -3.499   3.668
   46   1HA   GLY   8          1HA       GLY   8   4.027  -2.394   4.367
   47   2HA   GLY   8          2HA       GLY   8   3.399  -2.609   2.734
   48    H    ARG   9           H        ARG   9   4.025  -0.439   2.187
   49    HA   ARG   9           HA       ARG   9   2.096   1.620   3.162
   50   1HB   ARG   9          2HB       ARG   9   4.528   1.483   4.219
   51   2HB   ARG   9          1HB       ARG   9   4.992   2.289   2.722
   52   1HG   ARG   9          2HG       ARG   9   4.541   4.013   4.352
   53   2HG   ARG   9          1HG       ARG   9   3.208   4.018   3.199
   54   1HD   ARG   9          2HD       ARG   9   2.382   4.160   5.547
   55   2HD   ARG   9          1HD       ARG   9   1.847   2.657   4.771
   56    HE   ARG   9           HE       ARG   9   4.432   2.392   6.129
   57   1HH1  ARG   9          1HH2      ARG   9   2.043   0.436   5.740
   58   2HH1  ARG   9          2HH2      ARG   9   1.600   0.201   7.402
   59   1HH2  ARG   9          2HH1      ARG   9   3.441   2.888   8.547
   60   2HH2  ARG   9          1HH1      ARG   9   2.395   1.585   8.991
   61    H    CYS  10           H        CYS  10   1.113   2.452   1.358
   62    HA   CYS  10           HA       CYS  10   2.729   3.032  -1.077
   63   1HB   CYS  10          1HB       CYS  10   1.012   1.742  -2.424
   64   2HB   CYS  10          2HB       CYS  10   2.020   0.739  -1.381
   65    H    ASN  11           H        ASN  11   0.768   3.691  -2.832
   66    HA   ASN  11           HA       ASN  11  -1.147   5.534  -1.456
   67   1HB   ASN  11          1HB       ASN  11   1.264   6.182  -3.004
   68   2HB   ASN  11          2HB       ASN  11  -0.176   6.965  -3.648
   69   1HD2  ASN  11          1HD2      ASN  11   1.435   6.400  -0.471
   70   2HD2  ASN  11          2HD2      ASN  11   1.007   7.916   0.172
   71    H    ALA  12           H        ALA  12  -2.938   6.168  -2.899
   72    HA   ALA  12           HA       ALA  12  -4.002   4.105  -4.539
   73   1HB   ALA  12          1HB       ALA  12  -5.397   6.130  -5.414
   74   2HB   ALA  12          2HB       ALA  12  -5.469   5.759  -3.691
   75   3HB   ALA  12          3HB       ALA  12  -4.449   7.078  -4.267
   76    H    SER  13           H        SER  13  -2.420   7.138  -5.559
   77    HA   SER  13           HA       SER  13  -2.040   6.008  -8.297
   78   1HB   SER  13          1HB       SER  13  -1.440   8.464  -8.730
   79   2HB   SER  13          2HB       SER  13  -3.107   8.153  -8.247
   80    HG   SER  13           HG       SER  13  -1.103   9.512  -6.942
   81    H    ALA  14           H        ALA  14  -0.407   4.895  -6.267
   82    HA   ALA  14           HA       ALA  14   2.180   6.288  -6.198
   83   1HB   ALA  14          1HB       ALA  14   1.300   3.513  -5.338
   84   2HB   ALA  14          2HB       ALA  14   2.804   4.303  -4.866
   85   3HB   ALA  14          3HB       ALA  14   1.257   4.954  -4.325
   86    H    GLY  15           H        GLY  15   3.781   6.022  -7.702
   87   1HA   GLY  15          1HA       GLY  15   3.432   4.017  -9.844
   88   2HA   GLY  15          2HA       GLY  15   4.651   5.294  -9.815
   89    HA   PRO  16           HA       PRO  16   7.627   2.412  -8.519
   90   1HB   PRO  16          1HB       PRO  16   9.224   3.913  -6.860
   91   2HB   PRO  16          2HB       PRO  16   9.249   4.001  -8.632
   92   1HG   PRO  16          1HG       PRO  16   7.915   5.796  -6.670
   93   2HG   PRO  16          2HG       PRO  16   8.753   6.190  -8.176
   94   1HD   PRO  16          1HD       PRO  16   6.048   6.107  -7.991
   95   2HD   PRO  16          2HD       PRO  16   6.927   5.720  -9.485
   96    HA   PRO  17           HA       PRO  17   6.839   2.117  -3.846
   97   1HB   PRO  17          1HB       PRO  17   4.915   3.674  -2.689
   98   2HB   PRO  17          2HB       PRO  17   6.606   4.189  -2.851
   99   1HG   PRO  17          1HG       PRO  17   4.229   5.067  -4.336
  100   2HG   PRO  17          2HG       PRO  17   5.752   5.908  -4.039
  101   1HD   PRO  17          1HD       PRO  17   4.958   4.590  -6.413
  102   2HD   PRO  17          2HD       PRO  17   6.544   5.286  -6.044
  103    H    TYR  18           H        TYR  18   5.729   0.498  -5.561
  104    HA   TYR  18           HA       TYR  18   2.794   0.306  -5.199
  105   1HB   TYR  18          1HB       TYR  18   3.059  -1.558  -6.853
  106   2HB   TYR  18          2HB       TYR  18   3.723  -0.029  -7.420
  107    HD1  TYR  18           HD1      TYR  18   5.977   0.141  -8.065
  108    HD2  TYR  18           HD2      TYR  18   4.672  -3.244  -5.766
  109    HE1  TYR  18           HE1      TYR  18   8.185  -0.943  -8.407
  110    HE2  TYR  18           HE2      TYR  18   6.881  -4.326  -6.105
  111    HH   TYR  18           HH       TYR  18   8.756  -4.073  -8.052
  112    H    CYS  19           H        CYS  19   1.848  -1.838  -4.565
  113    HA   CYS  19           HA       CYS  19   3.244  -2.887  -2.178
  114   1HB   CYS  19          1HB       CYS  19   0.498  -3.291  -3.381
  115   2HB   CYS  19          2HB       CYS  19   1.006  -3.966  -1.840
  116    H    CYS  20           H        CYS  20   3.042  -5.341  -1.818
  117    HA   CYS  20           HA       CYS  20   4.167  -6.724  -4.190
  118   1HB   CYS  20          1HB       CYS  20   4.951  -6.668  -1.662
  119   2HB   CYS  20          2HB       CYS  20   3.793  -7.980  -1.503
  120    H    SER  21           H        SER  21   1.409  -7.045  -1.965
  121    HA   SER  21           HA       SER  21   0.415  -9.447  -3.351
  122   1HB   SER  21          1HB       SER  21  -0.537  -7.671  -1.100
  123   2HB   SER  21          2HB       SER  21  -1.491  -9.029  -1.686
  124    HG   SER  21           HG       SER  21   0.343  -9.148   0.117
  125    H    SER  22           H        SER  22   0.394  -6.212  -4.112
  126    HA   SER  22           HA       SER  22  -0.698  -5.135  -5.912
  127   1HB   SER  22          1HB       SER  22  -1.263  -7.561  -6.580
  128   2HB   SER  22          2HB       SER  22  -2.818  -7.280  -5.800
  129    HG   SER  22           HG       SER  22  -2.809  -5.278  -7.183
  130    H    TYR  23           H        TYR  23  -1.907  -5.694  -2.768
  131    HA   TYR  23           HA       TYR  23  -4.307  -3.957  -3.304
  132   1HB   TYR  23          1HB       TYR  23  -4.436  -6.111  -1.945
  133   2HB   TYR  23          2HB       TYR  23  -3.482  -5.272  -0.729
  134    HD1  TYR  23           HD1      TYR  23  -6.714  -5.230  -2.540
  135    HD2  TYR  23           HD2      TYR  23  -4.387  -3.572   0.663
  136    HE1  TYR  23           HE1      TYR  23  -8.738  -4.109  -1.647
  137    HE2  TYR  23           HE2      TYR  23  -6.409  -2.455   1.558
  138    HH   TYR  23           HH       TYR  23  -9.605  -3.048   0.191
  139    H    CYS  24           H        CYS  24  -4.588  -2.017  -2.136
  140    HA   CYS  24           HA       CYS  24  -2.361  -1.000  -0.462
  141   1HB   CYS  24          1HB       CYS  24  -1.762  -0.538  -2.829
  142   2HB   CYS  24          2HB       CYS  24  -3.289   0.319  -3.039
  143    H    PHE  25           H        PHE  25  -3.418  -0.131   1.284
  144    HA   PHE  25           HA       PHE  25  -6.133   1.083   0.910
  145   1HB   PHE  25          1HB       PHE  25  -5.288  -0.829   2.580
  146   2HB   PHE  25          2HB       PHE  25  -4.841   0.559   3.550
  147    HD1  PHE  25           HD1      PHE  25  -6.472   1.940   4.619
  148    HD2  PHE  25           HD2      PHE  25  -7.696  -1.125   1.867
  149    HE1  PHE  25           HE1      PHE  25  -8.829   2.248   5.324
  150    HE2  PHE  25           HE2      PHE  25 -10.052  -0.819   2.575
  151    HZ   PHE  25           HZ       PHE  25 -10.620   0.867   4.303
  152    H    GLN  26           H        GLN  26  -5.493   3.222   0.228
  153    HA   GLN  26           HA       GLN  26  -3.909   4.786   2.246
  154   1HB   GLN  26          1HB       GLN  26  -2.796   4.410   0.069
  155   2HB   GLN  26          2HB       GLN  26  -4.179   5.108  -0.751
  156   1HG   GLN  26          1HG       GLN  26  -3.329   6.939   1.286
  157   2HG   GLN  26          2HG       GLN  26  -1.919   6.468   0.341
  158   1HE2  GLN  26          1HE2      GLN  26  -4.388   8.725   0.423
  159   2HE2  GLN  26          2HE2      GLN  26  -4.431   9.122  -1.228
  160    H    ILE  27           H        ILE  27  -4.759   6.804   2.877
  161    HA   ILE  27           HA       ILE  27  -7.540   7.385   1.909
  162    HB   ILE  27           HB       ILE  27  -7.125   8.727   4.335
  163   1HG1  ILE  27          1HG1      ILE  27  -5.115   7.145   4.616
  164   2HG1  ILE  27          2HG1      ILE  27  -6.300   7.147   5.915
  165   1HG2  ILE  27          1HG2      ILE  27  -8.501   6.288   4.821
  166   2HG2  ILE  27          2HG2      ILE  27  -9.186   7.884   4.521
  167   3HG2  ILE  27          3HG2      ILE  27  -8.874   6.791   3.172
  168   1HD1  ILE  27          1HD1      ILE  27  -7.368   5.199   4.390
  169   2HD1  ILE  27          2HD1      ILE  27  -5.676   5.014   3.933
  170   3HD1  ILE  27          3HD1      ILE  27  -6.151   4.876   5.624
  171    H    ALA  28           H        ALA  28  -8.129   9.782   2.172
  172    HA   ALA  28           HA       ALA  28  -6.034  11.398   0.849
  173   1HB   ALA  28          1HB       ALA  28  -8.523  11.142   0.211
  174   2HB   ALA  28          2HB       ALA  28  -8.855  12.195   1.587
  175   3HB   ALA  28          3HB       ALA  28  -7.874  12.782   0.243
  176    H    GLY  29           H        GLY  29  -5.401  13.495   1.665
  177   1HA   GLY  29          1HA       GLY  29  -5.739  15.209   3.512
  178   2HA   GLY  29          2HA       GLY  29  -5.776  13.834   4.618
  179    H    GLN  30           H        GLN  30  -3.716  12.300   3.563
  180    HA   GLN  30           HA       GLN  30  -1.295  14.062   3.745
  181   1HB   GLN  30          1HB       GLN  30  -2.193  12.814   5.879
  182   2HB   GLN  30          2HB       GLN  30  -1.461  11.397   5.129
  183   1HG   GLN  30          1HG       GLN  30   0.356  13.653   4.999
  184   2HG   GLN  30          2HG       GLN  30  -0.148  13.364   6.663
  185   1HE2  GLN  30          1HE2      GLN  30   1.152  11.612   3.795
  186   2HE2  GLN  30          2HE2      GLN  30   1.987  10.450   4.714
  187    H    SER  31           H        SER  31  -2.881  11.623   1.990
  188    HA   SER  31           HA       SER  31  -2.200  10.261   0.200
  189   1HB   SER  31          1HB       SER  31  -0.787  12.545   0.008
  190   2HB   SER  31          2HB       SER  31   0.546  11.425   0.277
  191    HG   SER  31           HG       SER  31  -0.377  10.142  -1.469
  192    H    TYR  32           H        TYR  32  -2.102   9.028   2.626
  193    HA   TYR  32           HA       TYR  32   0.421   7.416   2.457
  194   1HB   TYR  32          1HB       TYR  32   0.631   7.474   4.806
  195   2HB   TYR  32          2HB       TYR  32   0.134   9.111   4.397
  196    HD1  TYR  32           HD1      TYR  32  -2.264   9.797   4.706
  197    HD2  TYR  32           HD2      TYR  32  -0.747   6.038   6.118
  198    HE1  TYR  32           HE1      TYR  32  -4.227   9.571   6.212
  199    HE2  TYR  32           HE2      TYR  32  -2.712   5.810   7.619
  200    HH   TYR  32           HH       TYR  32  -4.412   7.822   8.731
  201    H    GLY  33           H        GLY  33   0.071   5.227   2.243
  202   1HA   GLY  33          1HA       GLY  33  -2.563   4.126   3.093
  203   2HA   GLY  33          2HA       GLY  33  -2.039   3.873   1.434
  204    H    VAL  34           H        VAL  34  -2.551   1.641   2.801
  205    HA   VAL  34           HA       VAL  34   0.195   0.581   3.457
  206    HB   VAL  34           HB       VAL  34  -0.919  -0.811   5.199
  207   1HG1  VAL  34          1HG1      VAL  34  -1.889   1.884   5.925
  208   2HG1  VAL  34          2HG1      VAL  34  -0.716   0.851   6.742
  209   3HG1  VAL  34          3HG1      VAL  34  -0.220   1.830   5.360
  210   1HG2  VAL  34          1HG2      VAL  34  -3.204  -0.702   5.654
  211   2HG2  VAL  34          2HG2      VAL  34  -3.381   0.886   4.910
  212   3HG2  VAL  34          3HG2      VAL  34  -3.204  -0.547   3.898
  213    H    CYS  35           H        CYS  35   0.588  -1.585   2.746
  214    HA   CYS  35           HA       CYS  35  -1.146  -2.440   0.515
  215   1HB   CYS  35          1HB       CYS  35   1.403  -3.617   1.607
  216   2HB   CYS  35          2HB       CYS  35   0.682  -3.957   0.048
  217    H    LYS  36           H        LYS  36  -1.987  -4.501   0.320
  218    HA   LYS  36           HA       LYS  36  -2.057  -6.336   2.650
  219   1HB   LYS  36          1HB       LYS  36  -3.942  -4.391   2.480
  220   2HB   LYS  36          2HB       LYS  36  -4.716  -5.654   1.518
  221   1HG   LYS  36          2HG       LYS  36  -5.411  -6.465   3.525
  222   2HG   LYS  36          1HG       LYS  36  -3.768  -7.099   3.648
  223   1HD   LYS  36          1HD       LYS  36  -3.701  -4.357   4.439
  224   2HD   LYS  36          2HD       LYS  36  -5.031  -5.129   5.299
  225   1HE   LYS  36          1HE       LYS  36  -2.162  -6.141   5.217
  226   2HE   LYS  36          2HE       LYS  36  -2.940  -5.342   6.596
  227   1HZ   LYS  36          1HZ       LYS  36  -4.631  -7.401   5.665
  228   2HZ   LYS  36          2HZ       LYS  36  -3.862  -7.272   7.174
  229   3HZ   LYS  36          3HZ       LYS  36  -3.070  -8.057   5.877
  230    H    ASN  37           H        ASN  37  -3.909  -8.133   1.865
  231    HA   ASN  37           HA       ASN  37  -2.752  -9.646  -0.220
  232   1HB   ASN  37          1HB       ASN  37  -5.571  -9.570   0.908
  233   2HB   ASN  37          2HB       ASN  37  -4.950 -10.875  -0.102
  234   1HD2  ASN  37          1HD2      ASN  37  -3.797 -12.514   0.958
  235   2HD2  ASN  37          2HD2      ASN  37  -3.273 -12.422   2.569
  236    H    ARG  38           H        ARG  38  -6.111  -8.519  -0.655
  237    HA   ARG  38           HA       ARG  38  -5.610  -6.918  -2.979
  238   1HB   ARG  38          1HB       ARG  38  -5.510  -9.762  -3.249
  239   2HB   ARG  38          2HB       ARG  38  -6.950  -9.190  -4.089
  240   1HG   ARG  38          1HG       ARG  38  -4.164  -8.051  -4.487
  241   2HG   ARG  38          2HG       ARG  38  -4.920  -9.234  -5.553
  242   1HD   ARG  38          1HD       ARG  38  -6.251  -6.584  -4.922
  243   2HD   ARG  38          2HD       ARG  38  -5.139  -6.787  -6.295
  244    HE   ARG  38           HE       ARG  38  -6.801  -8.924  -6.630
  245   1HH1  ARG  38          1HH1      ARG  38  -8.626  -7.107  -4.888
  246   2HH1  ARG  38          2HH1      ARG  38  -9.630  -6.437  -6.151
  247   1HH2  ARG  38          1HH2      ARG  38  -7.504  -7.410  -8.701
  248   2HH2  ARG  38          2HH2      ARG  38  -8.985  -6.608  -8.311
  Start of MODEL    7
    1    HA   ALA   1           HA       ALA   1  12.845  -4.219  -6.235
    2   1HB   ALA   1          1HB       ALA   1  14.866  -3.450  -5.034
    3   2HB   ALA   1          2HB       ALA   1  14.538  -2.402  -6.415
    4   3HB   ALA   1          3HB       ALA   1  14.124  -1.870  -4.785
    5    H    GLY   2           H        GLY   2  11.881  -5.615  -4.797
    6   1HA   GLY   2          1HA       GLY   2  11.387  -6.468  -2.613
    7   2HA   GLY   2          2HA       GLY   2  11.704  -4.865  -1.944
    8    H    CYS   3           H        CYS   3   9.357  -6.524  -1.399
    9    HA   CYS   3           HA       CYS   3   7.277  -4.520  -2.023
   10   1HB   CYS   3          1HB       CYS   3   5.893  -6.032  -3.287
   11   2HB   CYS   3          2HB       CYS   3   7.505  -6.133  -3.991
   12    H    ILE   4           H        ILE   4   5.453  -4.720  -0.603
   13    HA   ILE   4           HA       ILE   4   5.862  -6.650   1.655
   14    HB   ILE   4           HB       ILE   4   4.260  -4.071   1.534
   15   1HG1  ILE   4          1HG1      ILE   4   6.632  -3.963   3.182
   16   2HG1  ILE   4          2HG1      ILE   4   7.078  -4.421   1.538
   17   1HG2  ILE   4          1HG2      ILE   4   3.505  -5.522   3.321
   18   2HG2  ILE   4          2HG2      ILE   4   5.165  -5.877   3.797
   19   3HG2  ILE   4          3HG2      ILE   4   4.505  -4.262   4.046
   20   1HD1  ILE   4          1HD1      ILE   4   5.151  -2.161   1.979
   21   2HD1  ILE   4          2HD1      ILE   4   6.880  -1.877   2.157
   22   3HD1  ILE   4          3HD1      ILE   4   6.233  -2.445   0.618
   23    H    LYS   5           H        LYS   5   4.438  -8.332   1.702
   24    HA   LYS   5           HA       LYS   5   2.201  -8.578  -0.063
   25   1HB   LYS   5          1HB       LYS   5   3.507 -10.457   0.823
   26   2HB   LYS   5          2HB       LYS   5   2.986 -10.062   2.462
   27   1HG   LYS   5          2HG       LYS   5   0.729 -10.670   2.007
   28   2HG   LYS   5          1HG       LYS   5   0.997 -10.663   0.264
   29   1HD   LYS   5          1HD       LYS   5   0.919 -12.976   1.056
   30   2HD   LYS   5          2HD       LYS   5   2.556 -12.591   0.525
   31   1HE   LYS   5          1HE       LYS   5   2.795 -13.739   2.627
   32   2HE   LYS   5          2HE       LYS   5   3.060 -12.020   2.987
   33   1HZ   LYS   5          1HZ       LYS   5   0.976 -11.774   3.916
   34   2HZ   LYS   5          2HZ       LYS   5   1.326 -13.389   4.364
   35   3HZ   LYS   5          3HZ       LYS   5   0.313 -13.080   3.038
   36    H    ASN   6           H        ASN   6   2.336  -8.017   3.486
   37    HA   ASN   6           HA       ASN   6  -0.328  -6.688   3.296
   38   1HB   ASN   6          1HB       ASN   6  -0.845  -8.094   5.458
   39   2HB   ASN   6          2HB       ASN   6  -1.013  -8.854   3.879
   40   1HD2  ASN   6          1HD2      ASN   6   1.671  -8.314   6.266
   41   2HD2  ASN   6          2HD2      ASN   6   2.288  -9.890   6.120
   42    H    GLY   7           H        GLY   7  -0.318  -4.808   4.443
   43   1HA   GLY   7          1HA       GLY   7   0.075  -3.434   6.377
   44   2HA   GLY   7          2HA       GLY   7   1.260  -4.605   6.948
   45    H    GLY   8           H        GLY   8   1.423  -3.503   3.631
   46   1HA   GLY   8          1HA       GLY   8   4.085  -2.357   4.170
   47   2HA   GLY   8          2HA       GLY   8   3.351  -2.563   2.580
   48    H    ARG   9           H        ARG   9   3.927  -0.382   2.010
   49    HA   ARG   9           HA       ARG   9   2.057   1.655   3.146
   50   1HB   ARG   9          2HB       ARG   9   4.483   1.576   4.086
   51   2HB   ARG   9          1HB       ARG   9   4.936   2.268   2.525
   52   1HG   ARG   9          2HG       ARG   9   4.450   4.267   3.498
   53   2HG   ARG   9          1HG       ARG   9   2.769   3.814   3.207
   54   1HD   ARG   9          2HD       ARG   9   4.185   2.896   5.705
   55   2HD   ARG   9          1HD       ARG   9   3.424   4.497   5.624
   56    HE   ARG   9           HE       ARG   9   1.409   2.922   4.663
   57   1HH1  ARG   9          2HH1      ARG   9   1.445   3.938   7.503
   58   2HH1  ARG   9          1HH1      ARG   9   1.248   2.471   8.396
   59   1HH2  ARG   9          1HH2      ARG   9   2.057   0.443   5.701
   60   2HH2  ARG   9          2HH2      ARG   9   1.608   0.486   7.379
   61    H    CYS  10           H        CYS  10   1.052   2.756   1.464
   62    HA   CYS  10           HA       CYS  10   2.525   3.219  -1.073
   63   1HB   CYS  10          1HB       CYS  10   0.605   2.202  -2.354
   64   2HB   CYS  10          2HB       CYS  10   1.541   1.042  -1.421
   65    H    ASN  11           H        ASN  11   0.811   4.335  -2.662
   66    HA   ASN  11           HA       ASN  11  -1.262   5.943  -1.391
   67   1HB   ASN  11          1HB       ASN  11  -0.116   7.992  -1.240
   68   2HB   ASN  11          2HB       ASN  11   1.106   6.837  -0.720
   69   1HD2  ASN  11          1HD2      ASN  11   0.680   9.475  -2.713
   70   2HD2  ASN  11          2HD2      ASN  11   1.913   9.157  -3.850
   71    H    ALA  12           H        ALA  12  -1.522   8.011  -3.143
   72    HA   ALA  12           HA       ALA  12  -2.257   6.667  -5.651
   73   1HB   ALA  12          1HB       ALA  12  -3.758   8.379  -5.741
   74   2HB   ALA  12          2HB       ALA  12  -3.239   8.738  -4.096
   75   3HB   ALA  12          3HB       ALA  12  -2.515   9.595  -5.455
   76    H    SER  13           H        SER  13   0.353   6.374  -5.747
   77    HA   SER  13           HA       SER  13   1.282   8.381  -7.761
   78   1HB   SER  13          1HB       SER  13   2.680   7.548  -5.205
   79   2HB   SER  13          2HB       SER  13   3.525   8.332  -6.534
   80    HG   SER  13           HG       SER  13   1.239   9.664  -5.942
   81    H    ALA  14           H        ALA  14   2.289   7.346  -9.478
   82    HA   ALA  14           HA       ALA  14   2.659   4.408  -9.301
   83   1HB   ALA  14          1HB       ALA  14   2.345   4.486 -11.586
   84   2HB   ALA  14          2HB       ALA  14   1.592   6.027 -11.174
   85   3HB   ALA  14          3HB       ALA  14   3.254   5.988 -11.761
   86    H    GLY  15           H        GLY  15   4.634   3.822  -8.429
   87   1HA   GLY  15          1HA       GLY  15   7.064   4.125  -9.792
   88   2HA   GLY  15          2HA       GLY  15   7.019   5.446  -8.627
   89    HA   PRO  16           HA       PRO  16   8.936   2.281  -6.145
   90   1HB   PRO  16          1HB       PRO  16   9.510   3.905  -4.010
   91   2HB   PRO  16          2HB       PRO  16  10.505   3.787  -5.476
   92   1HG   PRO  16          1HG       PRO  16   8.477   5.835  -4.726
   93   2HG   PRO  16          2HG       PRO  16  10.046   6.036  -5.521
   94   1HD   PRO  16          1HD       PRO  16   7.713   6.079  -6.890
   95   2HD   PRO  16          2HD       PRO  16   9.228   5.470  -7.593
   96    HA   PRO  17           HA       PRO  17   5.761   2.758  -2.582
   97   1HB   PRO  17          1HB       PRO  17   3.521   4.242  -3.046
   98   2HB   PRO  17          2HB       PRO  17   5.006   4.923  -2.351
   99   1HG   PRO  17          1HG       PRO  17   3.941   5.126  -5.109
  100   2HG   PRO  17          2HG       PRO  17   4.853   6.306  -4.158
  101   1HD   PRO  17          1HD       PRO  17   5.906   4.717  -6.157
  102   2HD   PRO  17          2HD       PRO  17   6.845   5.513  -4.881
  103    H    TYR  18           H        TYR  18   5.794   0.767  -4.400
  104    HA   TYR  18           HA       TYR  18   2.946   0.294  -5.205
  105   1HB   TYR  18          1HB       TYR  18   3.911  -1.312  -6.810
  106   2HB   TYR  18          2HB       TYR  18   4.651   0.276  -6.996
  107    HD1  TYR  18           HD1      TYR  18   5.137  -3.157  -5.726
  108    HD2  TYR  18           HD2      TYR  18   6.961   0.665  -6.419
  109    HE1  TYR  18           HE1      TYR  18   7.376  -4.147  -5.319
  110    HE2  TYR  18           HE2      TYR  18   9.198  -0.325  -6.012
  111    HH   TYR  18           HH       TYR  18   9.607  -3.377  -4.583
  112    H    CYS  19           H        CYS  19   1.908  -1.633  -4.551
  113    HA   CYS  19           HA       CYS  19   3.031  -2.902  -2.127
  114   1HB   CYS  19          1HB       CYS  19   0.367  -3.157  -3.555
  115   2HB   CYS  19          2HB       CYS  19   0.729  -3.789  -1.955
  116    H    CYS  20           H        CYS  20   2.680  -5.377  -1.967
  117    HA   CYS  20           HA       CYS  20   3.942  -6.613  -4.345
  118   1HB   CYS  20          1HB       CYS  20   4.567  -6.836  -1.823
  119   2HB   CYS  20          2HB       CYS  20   3.260  -8.014  -1.779
  120    H    SER  21           H        SER  21   1.063  -7.259  -2.316
  121    HA   SER  21           HA       SER  21   0.168  -9.348  -4.193
  122   1HB   SER  21          1HB       SER  21  -1.768  -8.648  -2.194
  123   2HB   SER  21          2HB       SER  21  -0.786 -10.101  -2.306
  124    HG   SER  21           HG       SER  21  -0.536  -7.947  -0.665
  125    H    SER  22           H        SER  22   0.045  -6.138  -4.572
  126    HA   SER  22           HA       SER  22  -1.204  -4.891  -6.158
  127   1HB   SER  22          1HB       SER  22  -1.878  -7.095  -7.123
  128   2HB   SER  22          2HB       SER  22  -3.206  -7.163  -5.971
  129    HG   SER  22           HG       SER  22  -2.774  -5.301  -8.067
  130    H    TYR  23           H        TYR  23  -2.151  -5.702  -2.963
  131    HA   TYR  23           HA       TYR  23  -4.558  -3.924  -3.120
  132   1HB   TYR  23          1HB       TYR  23  -4.397  -6.148  -1.817
  133   2HB   TYR  23          2HB       TYR  23  -3.424  -5.232  -0.674
  134    HD1  TYR  23           HD1      TYR  23  -6.773  -5.894  -1.859
  135    HD2  TYR  23           HD2      TYR  23  -4.367  -3.177   0.425
  136    HE1  TYR  23           HE1      TYR  23  -8.819  -4.965  -0.811
  137    HE2  TYR  23           HE2      TYR  23  -6.407  -2.247   1.472
  138    HH   TYR  23           HH       TYR  23  -9.608  -3.106   0.361
  139    H    CYS  24           H        CYS  24  -4.678  -1.979  -2.040
  140    HA   CYS  24           HA       CYS  24  -2.368  -0.966  -0.480
  141   1HB   CYS  24          1HB       CYS  24  -1.723  -0.430  -2.743
  142   2HB   CYS  24          2HB       CYS  24  -3.339   0.163  -3.124
  143    H    PHE  25           H        PHE  25  -3.454  -0.268   1.326
  144    HA   PHE  25           HA       PHE  25  -6.139   1.012   1.045
  145   1HB   PHE  25          1HB       PHE  25  -5.251  -0.931   2.650
  146   2HB   PHE  25          2HB       PHE  25  -4.765   0.433   3.635
  147    HD1  PHE  25           HD1      PHE  25  -6.348   1.777   4.804
  148    HD2  PHE  25           HD2      PHE  25  -7.687  -1.196   2.007
  149    HE1  PHE  25           HE1      PHE  25  -8.674   2.065   5.610
  150    HE2  PHE  25           HE2      PHE  25 -10.011  -0.908   2.811
  151    HZ   PHE  25           HZ       PHE  25 -10.508   0.720   4.615
  152    H    GLN  26           H        GLN  26  -5.292   3.087   0.234
  153    HA   GLN  26           HA       GLN  26  -3.859   4.717   2.317
  154   1HB   GLN  26          1HB       GLN  26  -2.489   4.347   0.371
  155   2HB   GLN  26          2HB       GLN  26  -3.823   4.732  -0.708
  156   1HG   GLN  26          1HG       GLN  26  -3.420   6.916   1.134
  157   2HG   GLN  26          2HG       GLN  26  -1.891   6.515   0.363
  158   1HE2  GLN  26          1HE2      GLN  26  -5.208   6.307  -1.047
  159   2HE2  GLN  26          2HE2      GLN  26  -4.890   7.403  -2.303
  160    H    ILE  27           H        ILE  27  -4.668   6.856   2.675
  161    HA   ILE  27           HA       ILE  27  -7.443   7.301   1.624
  162    HB   ILE  27           HB       ILE  27  -7.023   9.041   3.763
  163   1HG1  ILE  27          1HG1      ILE  27  -5.833   6.318   4.402
  164   2HG1  ILE  27          2HG1      ILE  27  -4.953   7.849   4.391
  165   1HG2  ILE  27          1HG2      ILE  27  -8.196   6.280   4.050
  166   2HG2  ILE  27          2HG2      ILE  27  -8.740   7.787   4.785
  167   3HG2  ILE  27          3HG2      ILE  27  -8.980   7.511   3.060
  168   1HD1  ILE  27          1HD1      ILE  27  -6.402   8.708   6.184
  169   2HD1  ILE  27          2HD1      ILE  27  -7.309   7.196   6.187
  170   3HD1  ILE  27          3HD1      ILE  27  -5.618   7.212   6.687
  171    H    ALA  28           H        ALA  28  -8.057   9.637   1.339
  172    HA   ALA  28           HA       ALA  28  -5.976  11.045  -0.210
  173   1HB   ALA  28          1HB       ALA  28  -8.944  11.138   0.183
  174   2HB   ALA  28          2HB       ALA  28  -8.151  12.574  -0.458
  175   3HB   ALA  28          3HB       ALA  28  -8.020  11.039  -1.314
  176    H    GLY  29           H        GLY  29  -4.821  12.749   0.580
  177   1HA   GLY  29          1HA       GLY  29  -5.454  14.979   1.947
  178   2HA   GLY  29          2HA       GLY  29  -5.448  13.811   3.271
  179    H    GLN  30           H        GLN  30  -3.369  12.224   2.870
  180    HA   GLN  30           HA       GLN  30  -0.998  14.046   2.582
  181   1HB   GLN  30          1HB       GLN  30  -1.964  12.193   4.669
  182   2HB   GLN  30          2HB       GLN  30  -0.241  12.065   4.314
  183   1HG   GLN  30          1HG       GLN  30   0.196  14.028   5.342
  184   2HG   GLN  30          2HG       GLN  30  -1.079  14.846   4.442
  185   1HE2  GLN  30          1HE2      GLN  30  -1.465  15.958   6.616
  186   2HE2  GLN  30          2HE2      GLN  30  -2.447  15.167   7.752
  187    H    SER  31           H        SER  31  -2.518  11.407   1.163
  188    HA   SER  31           HA       SER  31  -1.800   9.809  -0.408
  189   1HB   SER  31          1HB       SER  31  -0.237  12.040  -0.736
  190   2HB   SER  31          2HB       SER  31   0.984  10.805  -0.437
  191    HG   SER  31           HG       SER  31  -0.772  11.124  -2.565
  192    H    TYR  32           H        TYR  32  -1.886   8.836   2.087
  193    HA   TYR  32           HA       TYR  32   0.549   7.110   2.231
  194   1HB   TYR  32          1HB       TYR  32   0.742   7.504   4.602
  195   2HB   TYR  32          2HB       TYR  32   0.639   9.077   3.818
  196    HD1  TYR  32           HD1      TYR  32  -1.554  10.312   3.802
  197    HD2  TYR  32           HD2      TYR  32  -0.923   6.770   6.141
  198    HE1  TYR  32           HE1      TYR  32  -3.527  10.882   5.197
  199    HE2  TYR  32           HE2      TYR  32  -2.899   7.339   7.534
  200    HH   TYR  32           HH       TYR  32  -4.253  10.302   7.666
  201    H    GLY  33           H        GLY  33   0.080   4.961   2.681
  202   1HA   GLY  33          1HA       GLY  33  -2.463   4.189   3.926
  203   2HA   GLY  33          2HA       GLY  33  -2.352   3.783   2.217
  204    H    VAL  34           H        VAL  34  -2.602   1.548   3.140
  205    HA   VAL  34           HA       VAL  34   0.111   0.432   3.801
  206    HB   VAL  34           HB       VAL  34  -0.942  -1.026   5.451
  207   1HG1  VAL  34          1HG1      VAL  34  -1.712   0.630   7.080
  208   2HG1  VAL  34          2HG1      VAL  34  -0.343   1.274   6.176
  209   3HG1  VAL  34          3HG1      VAL  34  -1.979   1.804   5.792
  210   1HG2  VAL  34          1HG2      VAL  34  -3.286  -1.098   5.863
  211   2HG2  VAL  34          2HG2      VAL  34  -3.579   0.344   4.894
  212   3HG2  VAL  34          3HG2      VAL  34  -3.132  -1.170   4.108
  213    H    CYS  35           H        CYS  35   0.571  -1.557   2.758
  214    HA   CYS  35           HA       CYS  35  -1.245  -2.272   0.536
  215   1HB   CYS  35          1HB       CYS  35   1.449  -3.329   1.387
  216   2HB   CYS  35          2HB       CYS  35   0.643  -3.709  -0.118
  217    H    LYS  36           H        LYS  36  -1.933  -4.434   0.184
  218    HA   LYS  36           HA       LYS  36  -1.886  -6.362   2.438
  219   1HB   LYS  36          1HB       LYS  36  -4.034  -4.559   1.710
  220   2HB   LYS  36          2HB       LYS  36  -4.564  -6.231   1.774
  221   1HG   LYS  36          2HG       LYS  36  -3.031  -4.806   3.974
  222   2HG   LYS  36          1HG       LYS  36  -4.777  -5.050   3.974
  223   1HD   LYS  36          1HD       LYS  36  -2.745  -7.300   3.835
  224   2HD   LYS  36          2HD       LYS  36  -3.534  -6.769   5.320
  225   1HE   LYS  36          1HE       LYS  36  -5.277  -7.426   2.974
  226   2HE   LYS  36          2HE       LYS  36  -4.549  -8.767   3.882
  227   1HZ   LYS  36          1HZ       LYS  36  -5.534  -8.080   5.861
  228   2HZ   LYS  36          2HZ       LYS  36  -6.770  -7.787   4.729
  229   3HZ   LYS  36          3HZ       LYS  36  -5.818  -6.500   5.305
  230    H    ASN  37           H        ASN  37  -3.762  -8.141   1.585
  231    HA   ASN  37           HA       ASN  37  -2.511  -9.495  -0.622
  232   1HB   ASN  37          1HB       ASN  37  -5.168  -9.888   0.795
  233   2HB   ASN  37          2HB       ASN  37  -4.412 -11.076  -0.268
  234   1HD2  ASN  37          1HD2      ASN  37  -2.823 -12.430   0.659
  235   2HD2  ASN  37          2HD2      ASN  37  -2.224 -12.240   2.234
  236    H    ARG  38           H        ARG  38  -6.038  -9.138  -0.759
  237    HA   ARG  38           HA       ARG  38  -5.859  -7.472  -3.157
  238   1HB   ARG  38          1HB       ARG  38  -5.462  -9.980  -3.639
  239   2HB   ARG  38          2HB       ARG  38  -7.181 -10.172  -3.295
  240   1HG   ARG  38          1HG       ARG  38  -7.135  -9.851  -5.627
  241   2HG   ARG  38          2HG       ARG  38  -7.521  -8.248  -5.007
  242   1HD   ARG  38          1HD       ARG  38  -4.646  -9.058  -5.485
  243   2HD   ARG  38          2HD       ARG  38  -5.646  -8.408  -6.801
  244    HE   ARG  38           HE       ARG  38  -4.694  -6.899  -4.470
  245   1HH1  ARG  38          1HH1      ARG  38  -7.568  -6.387  -4.327
  246   2HH1  ARG  38          2HH1      ARG  38  -7.788  -5.084  -5.455
  247   1HH2  ARG  38          1HH2      ARG  38  -4.714  -5.563  -7.014
  248   2HH2  ARG  38          2HH2      ARG  38  -6.177  -4.618  -6.972
  Start of MODEL    8
    1    HA   ALA   1           HA       ALA   1  12.257  -5.435  -5.872
    2   1HB   ALA   1          1HB       ALA   1   9.689  -3.976  -6.448
    3   2HB   ALA   1          2HB       ALA   1  10.766  -3.372  -5.191
    4   3HB   ALA   1          3HB       ALA   1  11.341  -3.513  -6.850
    5    H    GLY   2           H        GLY   2  12.059  -4.727  -3.492
    6   1HA   GLY   2          1HA       GLY   2  10.881  -6.852  -1.935
    7   2HA   GLY   2          2HA       GLY   2  11.632  -5.400  -1.275
    8    H    CYS   3           H        CYS   3   8.735  -7.017  -1.545
    9    HA   CYS   3           HA       CYS   3   7.176  -4.500  -1.032
   10   1HB   CYS   3          1HB       CYS   3   5.275  -5.727  -2.131
   11   2HB   CYS   3          2HB       CYS   3   6.624  -5.420  -3.220
   12    H    ILE   4           H        ILE   4   5.178  -4.946   0.308
   13    HA   ILE   4           HA       ILE   4   5.776  -7.005   2.401
   14    HB   ILE   4           HB       ILE   4   4.113  -4.461   2.402
   15   1HG1  ILE   4          1HG1      ILE   4   6.532  -4.040   2.342
   16   2HG1  ILE   4          2HG1      ILE   4   5.895  -3.650   3.939
   17   1HG2  ILE   4          1HG2      ILE   4   3.434  -6.455   3.949
   18   2HG2  ILE   4          2HG2      ILE   4   4.891  -6.037   4.844
   19   3HG2  ILE   4          3HG2      ILE   4   3.602  -4.853   4.659
   20   1HD1  ILE   4          1HD1      ILE   4   6.508  -6.189   4.429
   21   2HD1  ILE   4          2HD1      ILE   4   7.639  -5.932   3.101
   22   3HD1  ILE   4          3HD1      ILE   4   7.732  -4.924   4.545
   23    H    LYS   5           H        LYS   5   4.449  -8.789   2.413
   24    HA   LYS   5           HA       LYS   5   2.305  -9.273   0.656
   25   1HB   LYS   5          1HB       LYS   5   3.560 -10.985   1.900
   26   2HB   LYS   5          2HB       LYS   5   2.879 -10.396   3.417
   27   1HG   LYS   5          2HG       LYS   5   0.571 -10.862   2.340
   28   2HG   LYS   5          1HG       LYS   5   1.467 -11.813   1.154
   29   1HD   LYS   5          1HD       LYS   5   2.356 -13.260   2.867
   30   2HD   LYS   5          2HD       LYS   5   1.735 -12.219   4.146
   31   1HE   LYS   5          1HE       LYS   5  -0.084 -13.576   2.130
   32   2HE   LYS   5          2HE       LYS   5   0.341 -14.308   3.690
   33   1HZ   LYS   5          1HZ       LYS   5  -1.353 -12.006   3.119
   34   2HZ   LYS   5          2HZ       LYS   5  -0.254 -11.778   4.427
   35   3HZ   LYS   5          3HZ       LYS   5  -1.371 -13.074   4.453
   36    H    ASN   6           H        ASN   6   2.178  -8.131   4.045
   37    HA   ASN   6           HA       ASN   6  -0.444  -6.874   3.495
   38   1HB   ASN   6          1HB       ASN   6  -1.175  -8.059   5.745
   39   2HB   ASN   6          2HB       ASN   6  -1.284  -8.922   4.216
   40   1HD2  ASN   6          1HD2      ASN   6   1.405  -8.304   6.577
   41   2HD2  ASN   6          2HD2      ASN   6   1.883  -9.933   6.645
   42    H    GLY   7           H        GLY   7  -0.450  -4.873   4.447
   43   1HA   GLY   7          1HA       GLY   7  -0.193  -3.354   6.304
   44   2HA   GLY   7          2HA       GLY   7   0.911  -4.499   7.063
   45    H    GLY   8           H        GLY   8   1.205  -3.457   3.695
   46   1HA   GLY   8          1HA       GLY   8   3.931  -2.486   4.293
   47   2HA   GLY   8          2HA       GLY   8   3.229  -2.661   2.684
   48    H    ARG   9           H        ARG   9   3.988  -0.469   2.203
   49    HA   ARG   9           HA       ARG   9   2.130   1.621   3.276
   50   1HB   ARG   9          2HB       ARG   9   4.781   1.286   4.000
   51   2HB   ARG   9          1HB       ARG   9   4.888   2.476   2.704
   52   1HG   ARG   9          2HG       ARG   9   4.439   3.966   4.371
   53   2HG   ARG   9          1HG       ARG   9   2.768   3.463   4.107
   54   1HD   ARG   9          2HD       ARG   9   3.052   1.704   5.865
   55   2HD   ARG   9          1HD       ARG   9   4.685   2.327   6.181
   56    HE   ARG   9           HE       ARG   9   3.595   4.545   6.700
   57   1HH1  ARG   9          1HH2      ARG   9   0.928   3.320   5.600
   58   2HH1  ARG   9          2HH2      ARG   9   0.040   3.218   7.083
   59   1HH2  ARG   9          2HH1      ARG   9   2.824   3.681   9.076
   60   2HH2  ARG   9          1HH1      ARG   9   1.114   3.419   9.053
   61    H    CYS  10           H        CYS  10   1.110   2.566   1.525
   62    HA   CYS  10           HA       CYS  10   2.700   3.165  -0.916
   63   1HB   CYS  10          1HB       CYS  10   0.909   2.052  -2.313
   64   2HB   CYS  10          2HB       CYS  10   1.897   0.949  -1.366
   65    H    ASN  11           H        ASN  11   1.169   4.280  -2.577
   66    HA   ASN  11           HA       ASN  11  -1.193   5.658  -1.579
   67   1HB   ASN  11          1HB       ASN  11  -0.276   7.682  -0.933
   68   2HB   ASN  11          2HB       ASN  11   1.072   6.630  -0.519
   69   1HD2  ASN  11          1HD2      ASN  11   2.788   6.398  -2.325
   70   2HD2  ASN  11          2HD2      ASN  11   3.085   7.761  -3.293
   71    H    ALA  12           H        ALA  12  -1.810   7.487  -3.201
   72    HA   ALA  12           HA       ALA  12  -1.949   6.475  -5.849
   73   1HB   ALA  12          1HB       ALA  12  -2.592   8.921  -6.320
   74   2HB   ALA  12          2HB       ALA  12  -3.522   8.085  -5.078
   75   3HB   ALA  12          3HB       ALA  12  -2.250   9.215  -4.616
   76    H    SER  13           H        SER  13   0.272   8.956  -4.541
   77    HA   SER  13           HA       SER  13   1.707   9.131  -7.131
   78   1HB   SER  13          1HB       SER  13   1.168  10.839  -5.001
   79   2HB   SER  13          2HB       SER  13   2.871  10.448  -4.775
   80    HG   SER  13           HG       SER  13   3.348  11.394  -6.645
   81    H    ALA  14           H        ALA  14   2.434   6.837  -7.094
   82    HA   ALA  14           HA       ALA  14   4.810   6.448  -5.300
   83   1HB   ALA  14          1HB       ALA  14   4.070   4.246  -4.854
   84   2HB   ALA  14          2HB       ALA  14   2.583   5.191  -4.824
   85   3HB   ALA  14          3HB       ALA  14   2.990   4.231  -6.245
   86    H    GLY  15           H        GLY  15   3.403   4.596  -8.050
   87   1HA   GLY  15          1HA       GLY  15   4.346   4.406 -10.259
   88   2HA   GLY  15          2HA       GLY  15   5.815   5.183  -9.676
   89    HA   PRO  16           HA       PRO  16   7.479   1.110  -9.776
   90   1HB   PRO  16          1HB       PRO  16   9.847   1.639  -8.490
   91   2HB   PRO  16          2HB       PRO  16   9.528   2.003 -10.198
   92   1HG   PRO  16          1HG       PRO  16   9.428   3.808  -7.832
   93   2HG   PRO  16          2HG       PRO  16  10.047   4.115  -9.460
   94   1HD   PRO  16          1HD       PRO  16   7.628   5.004  -8.645
   95   2HD   PRO  16          2HD       PRO  16   7.959   4.540 -10.327
   96    HA   PRO  17           HA       PRO  17   7.775   0.463  -5.039
   97   1HB   PRO  17          1HB       PRO  17   6.581   2.303  -3.407
   98   2HB   PRO  17          2HB       PRO  17   8.288   2.403  -3.886
   99   1HG   PRO  17          1HG       PRO  17   5.950   3.921  -4.893
  100   2HG   PRO  17          2HG       PRO  17   7.629   4.436  -4.680
  101   1HD   PRO  17          1HD       PRO  17   6.479   3.743  -7.090
  102   2HD   PRO  17          2HD       PRO  17   8.219   3.751  -6.756
  103    H    TYR  18           H        TYR  18   6.077  -0.875  -6.262
  104    HA   TYR  18           HA       TYR  18   3.255  -0.220  -5.644
  105   1HB   TYR  18          1HB       TYR  18   2.904  -2.381  -6.990
  106   2HB   TYR  18          2HB       TYR  18   3.633  -1.029  -7.845
  107    HD1  TYR  18           HD1      TYR  18   4.633  -4.006  -5.793
  108    HD2  TYR  18           HD2      TYR  18   5.574  -1.400  -9.067
  109    HE1  TYR  18           HE1      TYR  18   6.589  -5.424  -6.352
  110    HE2  TYR  18           HE2      TYR  18   7.537  -2.816  -9.629
  111    HH   TYR  18           HH       TYR  18   8.203  -5.269  -9.253
  112    H    CYS  19           H        CYS  19   1.877  -2.211  -4.852
  113    HA   CYS  19           HA       CYS  19   2.921  -2.969  -2.236
  114   1HB   CYS  19          1HB       CYS  19   0.382  -3.587  -3.774
  115   2HB   CYS  19          2HB       CYS  19   0.645  -4.069  -2.100
  116    H    CYS  20           H        CYS  20   2.371  -5.494  -1.635
  117    HA   CYS  20           HA       CYS  20   4.273  -7.002  -3.309
  118   1HB   CYS  20          1HB       CYS  20   3.905  -6.751  -0.693
  119   2HB   CYS  20          2HB       CYS  20   2.857  -8.137  -0.952
  120    H    SER  21           H        SER  21   0.810  -7.274  -2.460
  121    HA   SER  21           HA       SER  21   0.662  -9.628  -4.322
  122   1HB   SER  21          1HB       SER  21  -0.054 -10.115  -2.073
  123   2HB   SER  21          2HB       SER  21  -1.050  -8.663  -2.015
  124    HG   SER  21           HG       SER  21  -2.563  -9.646  -3.152
  125    H    SER  22           H        SER  22  -1.828  -7.283  -3.289
  126    HA   SER  22           HA       SER  22  -2.011  -6.000  -5.863
  127   1HB   SER  22          1HB       SER  22  -2.821  -8.292  -6.374
  128   2HB   SER  22          2HB       SER  22  -4.083  -8.098  -5.159
  129    HG   SER  22           HG       SER  22  -3.706  -6.623  -7.569
  130    H    TYR  23           H        TYR  23  -2.246  -5.426  -2.812
  131    HA   TYR  23           HA       TYR  23  -4.730  -3.787  -3.080
  132   1HB   TYR  23          1HB       TYR  23  -4.823  -5.969  -1.705
  133   2HB   TYR  23          2HB       TYR  23  -3.851  -5.085  -0.535
  134    HD1  TYR  23           HD1      TYR  23  -6.501  -3.693  -2.761
  135    HD2  TYR  23           HD2      TYR  23  -5.389  -4.728   1.250
  136    HE1  TYR  23           HE1      TYR  23  -8.513  -2.540  -1.898
  137    HE2  TYR  23           HE2      TYR  23  -7.396  -3.581   2.109
  138    HH   TYR  23           HH       TYR  23  -9.960  -2.912   0.476
  139    H    CYS  24           H        CYS  24  -4.718  -1.843  -1.991
  140    HA   CYS  24           HA       CYS  24  -2.355  -0.979  -0.424
  141   1HB   CYS  24          1HB       CYS  24  -1.733  -0.526  -2.750
  142   2HB   CYS  24          2HB       CYS  24  -3.284   0.260  -3.044
  143    H    PHE  25           H        PHE  25  -3.568  -0.375   1.377
  144    HA   PHE  25           HA       PHE  25  -6.168   1.019   1.039
  145   1HB   PHE  25          1HB       PHE  25  -5.275  -0.874   2.717
  146   2HB   PHE  25          2HB       PHE  25  -4.828   0.532   3.658
  147    HD1  PHE  25           HD1      PHE  25  -6.444   1.835   4.815
  148    HD2  PHE  25           HD2      PHE  25  -7.699  -1.132   1.975
  149    HE1  PHE  25           HE1      PHE  25  -8.792   2.114   5.563
  150    HE2  PHE  25           HE2      PHE  25 -10.045  -0.853   2.719
  151    HZ   PHE  25           HZ       PHE  25 -10.594   0.768   4.514
  152    H    GLN  26           H        GLN  26  -5.425   3.100   0.232
  153    HA   GLN  26           HA       GLN  26  -3.884   4.733   2.231
  154   1HB   GLN  26          1HB       GLN  26  -2.630   4.331   0.208
  155   2HB   GLN  26          2HB       GLN  26  -4.012   4.760  -0.791
  156   1HG   GLN  26          1HG       GLN  26  -3.498   6.931   1.008
  157   2HG   GLN  26          2HG       GLN  26  -1.982   6.481   0.238
  158   1HE2  GLN  26          1HE2      GLN  26  -5.415   6.702  -0.902
  159   2HE2  GLN  26          2HE2      GLN  26  -5.033   7.604  -2.285
  160    H    ILE  27           H        ILE  27  -4.697   6.840   2.673
  161    HA   ILE  27           HA       ILE  27  -7.477   7.345   1.660
  162    HB   ILE  27           HB       ILE  27  -7.115   8.884   3.952
  163   1HG1  ILE  27          1HG1      ILE  27  -5.884   6.137   4.357
  164   2HG1  ILE  27          2HG1      ILE  27  -5.047   7.681   4.527
  165   1HG2  ILE  27          1HG2      ILE  27  -8.239   6.185   4.355
  166   2HG2  ILE  27          2HG2      ILE  27  -8.987   7.763   4.591
  167   3HG2  ILE  27          3HG2      ILE  27  -8.900   7.064   2.977
  168   1HD1  ILE  27          1HD1      ILE  27  -6.816   6.304   6.415
  169   2HD1  ILE  27          2HD1      ILE  27  -5.647   7.587   6.711
  170   3HD1  ILE  27          3HD1      ILE  27  -7.272   7.987   6.160
  171    H    ALA  28           H        ALA  28  -8.090   9.684   1.554
  172    HA   ALA  28           HA       ALA  28  -6.010  11.202   0.132
  173   1HB   ALA  28          1HB       ALA  28  -8.752  10.846  -0.045
  174   2HB   ALA  28          2HB       ALA  28  -8.614  12.468   0.626
  175   3HB   ALA  28          3HB       ALA  28  -7.832  12.078  -0.904
  176    H    GLY  29           H        GLY  29  -5.116  13.154   0.805
  177   1HA   GLY  29          1HA       GLY  29  -5.632  15.132   2.472
  178   2HA   GLY  29          2HA       GLY  29  -5.455  13.856   3.680
  179    H    GLN  30           H        GLN  30  -3.376  12.399   2.849
  180    HA   GLN  30           HA       GLN  30  -1.106  14.321   2.428
  181   1HB   GLN  30          1HB       GLN  30  -1.620  13.541   4.833
  182   2HB   GLN  30          2HB       GLN  30  -1.042  11.958   4.310
  183   1HG   GLN  30          1HG       GLN  30   0.922  13.657   3.363
  184   2HG   GLN  30          2HG       GLN  30   0.480  14.399   4.899
  185   1HE2  GLN  30          1HE2      GLN  30   2.274  13.717   6.181
  186   2HE2  GLN  30          2HE2      GLN  30   2.657  12.086   6.452
  187    H    SER  31           H        SER  31  -2.627  11.515   1.295
  188    HA   SER  31           HA       SER  31  -2.005   9.988  -0.387
  189   1HB   SER  31          1HB       SER  31  -0.462  12.205  -0.823
  190   2HB   SER  31          2HB       SER  31   0.778  10.979  -0.569
  191    HG   SER  31           HG       SER  31   0.177   9.976  -2.358
  192    H    TYR  32           H        TYR  32  -2.027   8.866   1.964
  193    HA   TYR  32           HA       TYR  32   0.438   7.190   2.033
  194   1HB   TYR  32          1HB       TYR  32   0.713   7.546   4.407
  195   2HB   TYR  32          2HB       TYR  32   0.594   9.129   3.643
  196    HD1  TYR  32           HD1      TYR  32  -0.888   6.827   6.012
  197    HD2  TYR  32           HD2      TYR  32  -1.616  10.356   3.682
  198    HE1  TYR  32           HE1      TYR  32  -2.824   7.386   7.465
  199    HE2  TYR  32           HE2      TYR  32  -3.551  10.917   5.133
  200    HH   TYR  32           HH       TYR  32  -5.155   9.624   6.630
  201    H    GLY  33           H        GLY  33   0.048   5.042   2.725
  202   1HA   GLY  33          1HA       GLY  33  -2.442   4.238   3.996
  203   2HA   GLY  33          2HA       GLY  33  -2.423   3.841   2.281
  204    H    VAL  34           H        VAL  34  -2.506   1.562   2.919
  205    HA   VAL  34           HA       VAL  34   0.238   0.518   3.529
  206    HB   VAL  34           HB       VAL  34  -0.755  -1.049   5.177
  207   1HG1  VAL  34          1HG1      VAL  34  -1.032   0.531   6.949
  208   2HG1  VAL  34          2HG1      VAL  34   0.099   1.259   5.810
  209   3HG1  VAL  34          3HG1      VAL  34  -1.585   1.782   5.837
  210   1HG2  VAL  34          1HG2      VAL  34  -2.980  -1.419   4.748
  211   2HG2  VAL  34          2HG2      VAL  34  -3.178  -0.107   5.907
  212   3HG2  VAL  34          3HG2      VAL  34  -3.252   0.225   4.180
  213    H    CYS  35           H        CYS  35   0.685  -1.498   2.524
  214    HA   CYS  35           HA       CYS  35  -1.199  -2.287   0.387
  215   1HB   CYS  35          1HB       CYS  35   1.572  -3.198   1.151
  216   2HB   CYS  35          2HB       CYS  35   0.700  -3.766  -0.255
  217    H    LYS  36           H        LYS  36  -1.789  -4.475   0.078
  218    HA   LYS  36           HA       LYS  36  -1.649  -6.374   2.368
  219   1HB   LYS  36          1HB       LYS  36  -3.745  -4.545   1.928
  220   2HB   LYS  36          2HB       LYS  36  -4.370  -6.135   1.482
  221   1HG   LYS  36          2HG       LYS  36  -2.760  -6.065   3.965
  222   2HG   LYS  36          1HG       LYS  36  -4.292  -5.189   4.043
  223   1HD   LYS  36          1HD       LYS  36  -5.545  -7.085   3.825
  224   2HD   LYS  36          2HD       LYS  36  -4.384  -7.857   2.751
  225   1HE   LYS  36          1HE       LYS  36  -3.166  -8.764   4.487
  226   2HE   LYS  36          2HE       LYS  36  -3.539  -7.417   5.584
  227   1HZ   LYS  36          1HZ       LYS  36  -5.894  -8.187   5.545
  228   2HZ   LYS  36          2HZ       LYS  36  -4.835  -9.294   6.276
  229   3HZ   LYS  36          3HZ       LYS  36  -5.399  -9.569   4.697
  230    H    ASN  37           H        ASN  37  -3.066  -8.419   1.658
  231    HA   ASN  37           HA       ASN  37  -1.977  -9.484  -0.766
  232   1HB   ASN  37          1HB       ASN  37  -4.017 -10.234   1.280
  233   2HB   ASN  37          2HB       ASN  37  -4.049 -11.118  -0.244
  234   1HD2  ASN  37          1HD2      ASN  37  -1.743 -11.925  -0.958
  235   2HD2  ASN  37          2HD2      ASN  37  -0.754 -12.529   0.279
  236    H    ARG  38           H        ARG  38  -5.418  -8.744  -0.074
  237    HA   ARG  38           HA       ARG  38  -5.737  -7.783  -2.845
  238   1HB   ARG  38          1HB       ARG  38  -6.400 -10.314  -2.111
  239   2HB   ARG  38          2HB       ARG  38  -7.901  -9.474  -1.724
  240   1HG   ARG  38          1HG       ARG  38  -6.565  -9.011  -4.381
  241   2HG   ARG  38          2HG       ARG  38  -7.570 -10.438  -4.139
  242   1HD   ARG  38          1HD       ARG  38  -9.505  -9.223  -4.139
  243   2HD   ARG  38          2HD       ARG  38  -8.795  -7.922  -3.167
  244    HE   ARG  38           HE       ARG  38  -9.115  -7.688  -5.923
  245   1HH1  ARG  38          1HH1      ARG  38  -7.322  -6.179  -3.718
  246   2HH1  ARG  38          2HH1      ARG  38  -5.926  -5.879  -4.726
  247   1HH2  ARG  38          1HH2      ARG  38  -6.950  -8.065  -7.203
  248   2HH2  ARG  38          2HH2      ARG  38  -5.679  -6.994  -6.674
  Start of MODEL    9
    1    HA   ALA   1           HA       ALA   1  13.044  -4.414  -4.892
    2   1HB   ALA   1          1HB       ALA   1  15.244  -4.204  -4.247
    3   2HB   ALA   1          2HB       ALA   1  14.893  -2.483  -4.396
    4   3HB   ALA   1          3HB       ALA   1  14.837  -3.262  -2.814
    5    H    GLY   2           H        GLY   2  11.565  -5.705  -3.803
    6   1HA   GLY   2          1HA       GLY   2  10.943  -6.979  -1.862
    7   2HA   GLY   2          2HA       GLY   2  11.715  -5.762  -0.845
    8    H    CYS   3           H        CYS   3   9.132  -6.711  -0.264
    9    HA   CYS   3           HA       CYS   3   7.622  -4.194  -0.263
   10   1HB   CYS   3          1HB       CYS   3   5.656  -5.327  -1.432
   11   2HB   CYS   3          2HB       CYS   3   7.035  -4.953  -2.460
   12    H    ILE   4           H        ILE   4   5.348  -4.666   0.803
   13    HA   ILE   4           HA       ILE   4   5.755  -6.721   2.957
   14    HB   ILE   4           HB       ILE   4   4.321  -4.046   2.935
   15   1HG1  ILE   4          1HG1      ILE   4   6.802  -3.923   3.005
   16   2HG1  ILE   4          2HG1      ILE   4   6.079  -3.375   4.514
   17   1HG2  ILE   4          1HG2      ILE   4   3.069  -5.091   4.543
   18   2HG2  ILE   4          2HG2      ILE   4   4.288  -6.330   4.835
   19   3HG2  ILE   4          3HG2      ILE   4   4.472  -4.728   5.547
   20   1HD1  ILE   4          1HD1      ILE   4   7.379  -4.866   5.587
   21   2HD1  ILE   4          2HD1      ILE   4   6.421  -6.144   4.839
   22   3HD1  ILE   4          3HD1      ILE   4   7.902  -5.583   4.064
   23    H    LYS   5           H        LYS   5   4.365  -8.415   2.766
   24    HA   LYS   5           HA       LYS   5   2.164  -8.553   0.971
   25   1HB   LYS   5          1HB       LYS   5   3.529 -10.432   1.885
   26   2HB   LYS   5          2HB       LYS   5   2.762 -10.186   3.454
   27   1HG   LYS   5          2HG       LYS   5   0.703 -10.358   1.464
   28   2HG   LYS   5          1HG       LYS   5   1.798 -11.727   1.251
   29   1HD   LYS   5          1HD       LYS   5   0.552 -10.912   3.896
   30   2HD   LYS   5          2HD       LYS   5  -0.046 -12.211   2.869
   31   1HE   LYS   5          1HE       LYS   5   1.551 -13.654   3.604
   32   2HE   LYS   5          2HE       LYS   5   2.836 -12.445   3.398
   33   1HZ   LYS   5          1HZ       LYS   5   2.699 -12.661   5.697
   34   2HZ   LYS   5          2HZ       LYS   5   1.011 -12.829   5.694
   35   3HZ   LYS   5          3HZ       LYS   5   1.715 -11.295   5.414
   36    H    ASN   6           H        ASN   6   2.335  -7.580   4.369
   37    HA   ASN   6           HA       ASN   6  -0.522  -6.755   4.224
   38   1HB   ASN   6          1HB       ASN   6  -0.704  -7.849   6.586
   39   2HB   ASN   6          2HB       ASN   6  -0.756  -8.902   5.176
   40   1HD2  ASN   6          1HD2      ASN   6   1.461  -7.711   7.735
   41   2HD2  ASN   6          2HD2      ASN   6   2.521  -9.033   7.634
   42    H    GLY   7           H        GLY   7  -0.592  -4.656   4.907
   43   1HA   GLY   7          1HA       GLY   7  -0.308  -2.874   6.476
   44   2HA   GLY   7          2HA       GLY   7   0.864  -3.858   7.346
   45    H    GLY   8           H        GLY   8   1.209  -3.444   3.882
   46   1HA   GLY   8          1HA       GLY   8   3.853  -2.283   4.239
   47   2HA   GLY   8          2HA       GLY   8   3.044  -2.539   2.693
   48    H    ARG   9           H        ARG   9   3.886  -0.344   2.140
   49    HA   ARG   9           HA       ARG   9   2.011   1.761   3.132
   50   1HB   ARG   9          2HB       ARG   9   4.334   1.697   4.232
   51   2HB   ARG   9          1HB       ARG   9   4.971   2.181   2.659
   52   1HG   ARG   9          2HG       ARG   9   4.582   4.307   3.342
   53   2HG   ARG   9          1HG       ARG   9   2.882   3.955   3.029
   54   1HD   ARG   9          2HD       ARG   9   2.975   2.927   5.479
   55   2HD   ARG   9          1HD       ARG   9   4.344   4.046   5.648
   56    HE   ARG   9           HE       ARG   9   2.630   5.760   4.591
   57   1HH1  ARG   9          2HH1      ARG   9   0.473   3.609   4.957
   58   2HH1  ARG   9          1HH1      ARG   9  -0.276   4.170   6.421
   59   1HH2  ARG   9          1HH2      ARG   9   2.334   6.286   7.240
   60   2HH2  ARG   9          2HH2      ARG   9   0.782   5.690   7.713
   61    H    CYS  10           H        CYS  10   1.013   2.698   1.386
   62    HA   CYS  10           HA       CYS  10   2.582   3.200  -1.094
   63   1HB   CYS  10          1HB       CYS  10   0.738   2.094  -2.429
   64   2HB   CYS  10          2HB       CYS  10   1.704   0.985  -1.463
   65    H    ASN  11           H        ASN  11   0.938   4.242  -2.766
   66    HA   ASN  11           HA       ASN  11  -1.230   5.814  -1.564
   67   1HB   ASN  11          1HB       ASN  11  -0.132   7.946  -1.743
   68   2HB   ASN  11          2HB       ASN  11   0.988   6.880  -0.903
   69   1HD2  ASN  11          1HD2      ASN  11   1.568   9.301  -2.606
   70   2HD2  ASN  11          2HD2      ASN  11   2.631   8.743  -3.813
   71    H    ALA  12           H        ALA  12  -1.588   7.750  -3.439
   72    HA   ALA  12           HA       ALA  12  -2.448   6.266  -5.798
   73   1HB   ALA  12          1HB       ALA  12  -2.760   8.957  -6.336
   74   2HB   ALA  12          2HB       ALA  12  -3.925   7.970  -5.455
   75   3HB   ALA  12          3HB       ALA  12  -2.740   8.933  -4.572
   76    H    SER  13           H        SER  13   0.193   5.799  -5.881
   77    HA   SER  13           HA       SER  13   1.108   7.389  -8.231
   78   1HB   SER  13          1HB       SER  13   1.969   8.502  -6.194
   79   2HB   SER  13          2HB       SER  13   2.708   6.983  -5.685
   80    HG   SER  13           HG       SER  13   3.715   8.825  -7.288
   81    H    ALA  14           H        ALA  14   2.053   6.034  -9.720
   82    HA   ALA  14           HA       ALA  14   2.562   3.209  -8.935
   83   1HB   ALA  14          1HB       ALA  14   1.091   3.921 -10.869
   84   2HB   ALA  14          2HB       ALA  14   2.544   4.532 -11.662
   85   3HB   ALA  14          3HB       ALA  14   2.386   2.810 -11.316
   86    H    GLY  15           H        GLY  15   4.630   3.513  -7.879
   87   1HA   GLY  15          1HA       GLY  15   6.900   3.382  -9.676
   88   2HA   GLY  15          2HA       GLY  15   6.870   4.911  -8.797
   89    HA   PRO  16           HA       PRO  16   9.149   2.550  -5.839
   90   1HB   PRO  16          1HB       PRO  16   9.396   4.552  -3.970
   91   2HB   PRO  16          2HB       PRO  16  10.437   4.373  -5.397
   92   1HG   PRO  16          1HG       PRO  16   8.089   6.156  -4.984
   93   2HG   PRO  16          2HG       PRO  16   9.626   6.483  -5.797
   94   1HD   PRO  16          1HD       PRO  16   7.365   5.937  -7.172
   95   2HD   PRO  16          2HD       PRO  16   8.976   5.458  -7.753
   96    HA   PRO  17           HA       PRO  17   5.812   2.858  -2.466
   97   1HB   PRO  17          1HB       PRO  17   3.445   4.086  -3.028
   98   2HB   PRO  17          2HB       PRO  17   4.841   4.954  -2.361
   99   1HG   PRO  17          1HG       PRO  17   3.759   4.946  -5.105
  100   2HG   PRO  17          2HG       PRO  17   4.629   6.214  -4.234
  101   1HD   PRO  17          1HD       PRO  17   5.693   4.496  -6.173
  102   2HD   PRO  17          2HD       PRO  17   6.606   5.543  -5.075
  103    H    TYR  18           H        TYR  18   6.111   0.841  -4.215
  104    HA   TYR  18           HA       TYR  18   3.441   0.065  -5.272
  105   1HB   TYR  18          1HB       TYR  18   4.723  -1.669  -6.458
  106   2HB   TYR  18          2HB       TYR  18   5.457  -0.087  -6.703
  107    HD1  TYR  18           HD1      TYR  18   5.742  -3.300  -4.893
  108    HD2  TYR  18           HD2      TYR  18   7.630   0.442  -5.823
  109    HE1  TYR  18           HE1      TYR  18   7.885  -4.148  -3.974
  110    HE2  TYR  18           HE2      TYR  18   9.770  -0.405  -4.897
  111    HH   TYR  18           HH       TYR  18   9.944  -3.313  -3.050
  112    H    CYS  19           H        CYS  19   2.386  -1.857  -4.572
  113    HA   CYS  19           HA       CYS  19   3.010  -2.632  -1.798
  114   1HB   CYS  19          1HB       CYS  19   0.776  -3.252  -3.747
  115   2HB   CYS  19          2HB       CYS  19   0.807  -3.848  -2.089
  116    H    CYS  20           H        CYS  20   2.593  -5.150  -1.382
  117    HA   CYS  20           HA       CYS  20   4.705  -6.535  -2.899
  118   1HB   CYS  20          1HB       CYS  20   4.128  -6.373  -0.319
  119   2HB   CYS  20          2HB       CYS  20   3.115  -7.762  -0.691
  120    H    SER  21           H        SER  21   1.225  -7.108  -2.226
  121    HA   SER  21           HA       SER  21   1.321  -9.323  -4.245
  122   1HB   SER  21          1HB       SER  21   0.239  -9.067  -1.656
  123   2HB   SER  21          2HB       SER  21  -1.150  -9.069  -2.738
  124    HG   SER  21           HG       SER  21  -0.366 -10.996  -3.643
  125    H    SER  22           H        SER  22  -1.328  -7.169  -3.195
  126    HA   SER  22           HA       SER  22  -1.531  -5.802  -5.728
  127   1HB   SER  22          1HB       SER  22  -2.948  -8.362  -5.243
  128   2HB   SER  22          2HB       SER  22  -3.891  -7.089  -6.011
  129    HG   SER  22           HG       SER  22  -1.286  -7.845  -6.878
  130    H    TYR  23           H        TYR  23  -2.033  -5.608  -2.548
  131    HA   TYR  23           HA       TYR  23  -4.615  -4.089  -2.835
  132   1HB   TYR  23          1HB       TYR  23  -4.391  -6.217  -1.341
  133   2HB   TYR  23          2HB       TYR  23  -3.478  -5.159  -0.282
  134    HD1  TYR  23           HD1      TYR  23  -6.804  -5.933  -1.597
  135    HD2  TYR  23           HD2      TYR  23  -4.495  -3.192   0.768
  136    HE1  TYR  23           HE1      TYR  23  -8.894  -4.984  -0.654
  137    HE2  TYR  23           HE2      TYR  23  -6.581  -2.247   1.709
  138    HH   TYR  23           HH       TYR  23  -9.782  -3.468   0.729
  139    H    CYS  24           H        CYS  24  -4.706  -2.058  -1.885
  140    HA   CYS  24           HA       CYS  24  -2.378  -0.975  -0.414
  141   1HB   CYS  24          1HB       CYS  24  -1.760  -0.631  -2.746
  142   2HB   CYS  24          2HB       CYS  24  -3.349   0.042  -3.110
  143    H    PHE  25           H        PHE  25  -3.605  -0.282   1.369
  144    HA   PHE  25           HA       PHE  25  -6.198   1.123   0.890
  145   1HB   PHE  25          1HB       PHE  25  -5.499  -0.800   2.610
  146   2HB   PHE  25          2HB       PHE  25  -5.018   0.580   3.581
  147    HD1  PHE  25           HD1      PHE  25  -6.625   2.087   4.538
  148    HD2  PHE  25           HD2      PHE  25  -7.890  -1.030   1.860
  149    HE1  PHE  25           HE1      PHE  25  -8.987   2.506   5.160
  150    HE2  PHE  25           HE2      PHE  25 -10.249  -0.608   2.485
  151    HZ   PHE  25           HZ       PHE  25 -10.799   1.160   4.134
  152    H    GLN  26           H        GLN  26  -5.361   3.189   0.145
  153    HA   GLN  26           HA       GLN  26  -3.833   4.749   2.206
  154   1HB   GLN  26          1HB       GLN  26  -2.587   4.362   0.166
  155   2HB   GLN  26          2HB       GLN  26  -3.950   4.890  -0.809
  156   1HG   GLN  26          1HG       GLN  26  -3.329   6.947   1.103
  157   2HG   GLN  26          2HG       GLN  26  -1.853   6.483   0.266
  158   1HE2  GLN  26          1HE2      GLN  26  -5.312   7.046  -0.688
  159   2HE2  GLN  26          2HE2      GLN  26  -4.912   7.950  -2.064
  160    H    ILE  27           H        ILE  27  -4.545   6.871   2.673
  161    HA   ILE  27           HA       ILE  27  -7.274   7.543   1.616
  162    HB   ILE  27           HB       ILE  27  -7.079   8.848   4.031
  163   1HG1  ILE  27          1HG1      ILE  27  -5.762   6.126   4.350
  164   2HG1  ILE  27          2HG1      ILE  27  -4.956   7.677   4.581
  165   1HG2  ILE  27          1HG2      ILE  27  -8.857   7.507   4.601
  166   2HG2  ILE  27          2HG2      ILE  27  -8.774   7.126   2.880
  167   3HG2  ILE  27          3HG2      ILE  27  -8.057   6.032   4.062
  168   1HD1  ILE  27          1HD1      ILE  27  -6.380   8.218   6.452
  169   2HD1  ILE  27          2HD1      ILE  27  -7.407   6.820   6.140
  170   3HD1  ILE  27          3HD1      ILE  27  -5.757   6.590   6.715
  171    H    ALA  28           H        ALA  28  -7.758   9.882   1.591
  172    HA   ALA  28           HA       ALA  28  -5.564  11.396   0.403
  173   1HB   ALA  28          1HB       ALA  28  -7.990  11.368  -0.302
  174   2HB   ALA  28          2HB       ALA  28  -8.367  12.268   1.166
  175   3HB   ALA  28          3HB       ALA  28  -7.332  12.988  -0.067
  176    H    GLY  29           H        GLY  29  -4.774  13.440   1.175
  177   1HA   GLY  29          1HA       GLY  29  -5.000  15.180   3.041
  178   2HA   GLY  29          2HA       GLY  29  -4.993  13.797   4.138
  179    H    GLN  30           H        GLN  30  -3.024  12.223   2.956
  180    HA   GLN  30           HA       GLN  30  -0.578  13.941   2.880
  181   1HB   GLN  30          1HB       GLN  30  -1.465  12.898   5.168
  182   2HB   GLN  30          2HB       GLN  30  -0.603  11.483   4.563
  183   1HG   GLN  30          1HG       GLN  30   1.205  13.477   4.048
  184   2HG   GLN  30          2HG       GLN  30   0.467  14.054   5.541
  185   1HE2  GLN  30          1HE2      GLN  30   2.546  13.561   6.657
  186   2HE2  GLN  30          2HE2      GLN  30   2.924  11.959   7.063
  187    H    SER  31           H        SER  31  -2.238  11.510   1.339
  188    HA   SER  31           HA       SER  31  -1.632   9.898  -0.269
  189   1HB   SER  31          1HB       SER  31  -0.321  11.563  -1.332
  190   2HB   SER  31          2HB       SER  31   0.836  11.629  -0.008
  191    HG   SER  31           HG       SER  31   1.464   9.478  -0.596
  192    H    TYR  32           H        TYR  32  -1.741   8.935   2.265
  193    HA   TYR  32           HA       TYR  32   0.598   7.069   2.377
  194   1HB   TYR  32          1HB       TYR  32   0.682   7.345   4.769
  195   2HB   TYR  32          2HB       TYR  32   0.652   8.957   4.063
  196    HD1  TYR  32           HD1      TYR  32  -1.578  10.188   3.934
  197    HD2  TYR  32           HD2      TYR  32  -1.002   6.632   6.264
  198    HE1  TYR  32           HE1      TYR  32  -3.604  10.732   5.260
  199    HE2  TYR  32           HE2      TYR  32  -3.032   7.173   7.591
  200    HH   TYR  32           HH       TYR  32  -4.569  10.233   7.433
  201    H    GLY  33           H        GLY  33   0.054   4.928   2.658
  202   1HA   GLY  33          1HA       GLY  33  -2.584   4.157   3.710
  203   2HA   GLY  33          2HA       GLY  33  -2.327   3.787   2.006
  204    H    VAL  34           H        VAL  34  -2.684   1.531   2.909
  205    HA   VAL  34           HA       VAL  34  -0.013   0.408   3.687
  206    HB   VAL  34           HB       VAL  34  -1.194  -1.093   5.271
  207   1HG1  VAL  34          1HG1      VAL  34  -2.065   1.707   5.929
  208   2HG1  VAL  34          2HG1      VAL  34  -1.353   0.487   6.985
  209   3HG1  VAL  34          3HG1      VAL  34  -0.347   1.324   5.803
  210   1HG2  VAL  34          1HG2      VAL  34  -3.656   0.449   5.418
  211   2HG2  VAL  34          2HG2      VAL  34  -3.471  -0.299   3.834
  212   3HG2  VAL  34          3HG2      VAL  34  -3.442  -1.297   5.286
  213    H    CYS  35           H        CYS  35   0.532  -1.469   2.607
  214    HA   CYS  35           HA       CYS  35  -1.259  -2.326   0.424
  215   1HB   CYS  35          1HB       CYS  35   1.525  -3.135   1.240
  216   2HB   CYS  35          2HB       CYS  35   0.727  -3.634  -0.237
  217    H    LYS  36           H        LYS  36  -1.712  -4.524   0.025
  218    HA   LYS  36           HA       LYS  36  -1.532  -6.504   2.236
  219   1HB   LYS  36          1HB       LYS  36  -3.759  -4.812   1.775
  220   2HB   LYS  36          2HB       LYS  36  -4.244  -6.447   1.335
  221   1HG   LYS  36          2HG       LYS  36  -2.678  -6.142   3.852
  222   2HG   LYS  36          1HG       LYS  36  -4.334  -5.534   3.874
  223   1HD   LYS  36          1HD       LYS  36  -5.066  -7.635   4.147
  224   2HD   LYS  36          2HD       LYS  36  -4.426  -8.035   2.556
  225   1HE   LYS  36          1HE       LYS  36  -2.142  -8.315   3.772
  226   2HE   LYS  36          2HE       LYS  36  -3.117  -8.395   5.254
  227   1HZ   LYS  36          1HZ       LYS  36  -4.500  -9.960   3.498
  228   2HZ   LYS  36          2HZ       LYS  36  -3.453 -10.533   4.705
  229   3HZ   LYS  36          3HZ       LYS  36  -2.877 -10.325   3.106
  230    H    ASN  37           H        ASN  37  -3.221  -8.432   1.260
  231    HA   ASN  37           HA       ASN  37  -1.793  -9.462  -1.051
  232   1HB   ASN  37          1HB       ASN  37  -4.166 -10.359   0.600
  233   2HB   ASN  37          2HB       ASN  37  -3.538 -11.314  -0.740
  234   1HD2  ASN  37          1HD2      ASN  37  -1.465 -12.355  -0.465
  235   2HD2  ASN  37          2HD2      ASN  37  -0.690 -12.419   1.041
  236    H    ARG  38           H        ARG  38  -5.340  -9.364  -0.733
  237    HA   ARG  38           HA       ARG  38  -7.027  -8.544  -2.179
  238   1HB   ARG  38          1HB       ARG  38  -5.259  -6.696  -2.576
  239   2HB   ARG  38          2HB       ARG  38  -4.843  -7.589  -4.034
  240   1HG   ARG  38          1HG       ARG  38  -7.710  -7.333  -3.847
  241   2HG   ARG  38          2HG       ARG  38  -6.967  -5.742  -3.695
  242   1HD   ARG  38          1HD       ARG  38  -7.348  -6.185  -6.065
  243   2HD   ARG  38          2HD       ARG  38  -5.599  -6.279  -5.766
  244    HE   ARG  38           HE       ARG  38  -7.203  -8.795  -5.578
  245   1HH1  ARG  38          1HH1      ARG  38  -6.315  -7.373  -8.287
  246   2HH1  ARG  38          2HH1      ARG  38  -5.001  -8.416  -8.703
  247   1HH2  ARG  38          1HH2      ARG  38  -4.897  -9.932  -5.585
  248   2HH2  ARG  38          2HH2      ARG  38  -4.192  -9.861  -7.173
  Start of MODEL   10
    1    HA   ALA   1           HA       ALA   1  13.345  -2.368  -0.688
    2   1HB   ALA   1          1HB       ALA   1  10.663  -1.560   0.495
    3   2HB   ALA   1          2HB       ALA   1  12.040  -2.215   1.384
    4   3HB   ALA   1          3HB       ALA   1  12.147  -0.617   0.648
    5    H    GLY   2           H        GLY   2  11.990  -4.251   0.811
    6   1HA   GLY   2          1HA       GLY   2  11.296  -6.252  -1.166
    7   2HA   GLY   2          2HA       GLY   2  11.165  -6.451   0.581
    8    H    CYS   3           H        CYS   3   9.205  -7.191  -1.547
    9    HA   CYS   3           HA       CYS   3   6.989  -5.326  -1.480
   10   1HB   CYS   3          1HB       CYS   3   5.897  -6.967  -2.741
   11   2HB   CYS   3          2HB       CYS   3   7.588  -7.333  -3.068
   12    H    ILE   4           H        ILE   4   5.280  -5.189  -0.042
   13    HA   ILE   4           HA       ILE   4   5.441  -6.940   2.388
   14    HB   ILE   4           HB       ILE   4   4.005  -4.292   2.023
   15   1HG1  ILE   4          1HG1      ILE   4   6.398  -4.098   3.603
   16   2HG1  ILE   4          2HG1      ILE   4   6.817  -4.798   2.041
   17   1HG2  ILE   4          1HG2      ILE   4   3.746  -6.127   4.014
   18   2HG2  ILE   4          2HG2      ILE   4   5.110  -5.194   4.627
   19   3HG2  ILE   4          3HG2      ILE   4   3.582  -4.391   4.273
   20   1HD1  ILE   4          1HD1      ILE   4   6.887  -2.610   1.390
   21   2HD1  ILE   4          2HD1      ILE   4   5.143  -2.820   1.234
   22   3HD1  ILE   4          3HD1      ILE   4   5.818  -2.083   2.688
   23    H    LYS   5           H        LYS   5   3.842  -8.420   2.667
   24    HA   LYS   5           HA       LYS   5   1.530  -8.473   0.878
   25   1HB   LYS   5          1HB       LYS   5   2.740 -10.299   2.959
   26   2HB   LYS   5          2HB       LYS   5   1.251 -10.702   2.107
   27   1HG   LYS   5          2HG       LYS   5   2.330 -11.059   0.102
   28   2HG   LYS   5          1HG       LYS   5   3.567  -9.848   0.435
   29   1HD   LYS   5          1HD       LYS   5   3.520 -12.286   2.163
   30   2HD   LYS   5          2HD       LYS   5   4.121 -12.463   0.516
   31   1HE   LYS   5          1HE       LYS   5   5.170 -10.092   1.950
   32   2HE   LYS   5          2HE       LYS   5   5.687 -11.654   2.614
   33   1HZ   LYS   5          1HZ       LYS   5   5.689 -11.174  -0.306
   34   2HZ   LYS   5          2HZ       LYS   5   6.565 -12.326   0.583
   35   3HZ   LYS   5          3HZ       LYS   5   7.006 -10.684   0.643
   36    H    ASN   6           H        ASN   6   2.246  -7.507   4.137
   37    HA   ASN   6           HA       ASN   6  -0.623  -6.903   4.625
   38   1HB   ASN   6          1HB       ASN   6  -0.229  -9.182   5.460
   39   2HB   ASN   6          2HB       ASN   6   1.169  -8.625   6.374
   40   1HD2  ASN   6          1HD2      ASN   6   0.781  -7.468   8.369
   41   2HD2  ASN   6          2HD2      ASN   6  -0.770  -7.345   9.047
   42    H    GLY   7           H        GLY   7  -0.491  -4.717   5.089
   43   1HA   GLY   7          1HA       GLY   7   0.000  -2.874   6.524
   44   2HA   GLY   7          2HA       GLY   7   1.229  -3.852   7.321
   45    H    GLY   8           H        GLY   8   1.062  -3.383   3.808
   46   1HA   GLY   8          1HA       GLY   8   3.835  -2.457   3.767
   47   2HA   GLY   8          2HA       GLY   8   2.773  -2.584   2.364
   48    H    ARG   9           H        ARG   9   3.860  -0.383   1.904
   49    HA   ARG   9           HA       ARG   9   2.122   1.736   3.092
   50   1HB   ARG   9          2HB       ARG   9   4.638   1.293   3.968
   51   2HB   ARG   9          1HB       ARG   9   4.995   2.356   2.610
   52   1HG   ARG   9          2HG       ARG   9   4.698   3.763   4.546
   53   2HG   ARG   9          1HG       ARG   9   3.271   3.967   3.530
   54   1HD   ARG   9          2HD       ARG   9   2.335   3.658   5.679
   55   2HD   ARG   9          1HD       ARG   9   2.278   2.018   5.001
   56    HE   ARG   9           HE       ARG   9   4.224   2.974   7.035
   57   1HH1  ARG   9          1HH2      ARG   9   2.342   0.438   6.557
   58   2HH1  ARG   9          2HH2      ARG   9   3.558  -0.793   6.538
   59   1HH2  ARG   9          2HH1      ARG   9   6.164   1.484   6.301
   60   2HH2  ARG   9          1HH1      ARG   9   5.741  -0.189   6.410
   61    H    CYS  10           H        CYS  10   1.060   2.564   1.329
   62    HA   CYS  10           HA       CYS  10   2.688   3.215  -1.106
   63   1HB   CYS  10          1HB       CYS  10   0.567   2.480  -2.378
   64   2HB   CYS  10          2HB       CYS  10   1.561   1.209  -1.677
   65    H    ASN  11           H        ASN  11   1.245   4.629  -2.626
   66    HA   ASN  11           HA       ASN  11  -0.730   6.370  -1.309
   67   1HB   ASN  11          1HB       ASN  11   1.732   6.965  -0.614
   68   2HB   ASN  11          2HB       ASN  11   1.850   7.641  -2.236
   69   1HD2  ASN  11          1HD2      ASN  11   2.133   9.693  -0.762
   70   2HD2  ASN  11          2HD2      ASN  11   0.707  10.535  -0.362
   71    H    ALA  12           H        ALA  12   0.153   8.557  -3.325
   72    HA   ALA  12           HA       ALA  12  -1.557   7.954  -5.492
   73   1HB   ALA  12          1HB       ALA  12   0.944   9.610  -5.804
   74   2HB   ALA  12          2HB       ALA  12  -0.683   9.942  -6.401
   75   3HB   ALA  12          3HB       ALA  12  -0.319  10.131  -4.687
   76    H    SER  13           H        SER  13   1.773   6.988  -4.921
   77    HA   SER  13           HA       SER  13   1.768   5.502  -7.528
   78   1HB   SER  13          1HB       SER  13   3.270   7.462  -7.543
   79   2HB   SER  13          2HB       SER  13   4.053   6.881  -6.074
   80    HG   SER  13           HG       SER  13   4.767   6.314  -8.485
   81    H    ALA  14           H        ALA  14   4.040   3.982  -7.122
   82    HA   ALA  14           HA       ALA  14   3.125   2.028  -5.122
   83   1HB   ALA  14          1HB       ALA  14   5.683   1.400  -6.241
   84   2HB   ALA  14          2HB       ALA  14   4.117   0.704  -6.658
   85   3HB   ALA  14          3HB       ALA  14   4.703   2.130  -7.513
   86    H    GLY  15           H        GLY  15   6.186   3.852  -5.618
   87   1HA   GLY  15          1HA       GLY  15   7.644   4.765  -3.989
   88   2HA   GLY  15          2HA       GLY  15   6.508   4.257  -2.740
   89    HA   PRO  16           HA       PRO  16  10.324   1.500  -2.995
   90   1HB   PRO  16          1HB       PRO  16  11.255   2.009  -0.452
   91   2HB   PRO  16          2HB       PRO  16  11.800   2.854  -1.916
   92   1HG   PRO  16          1HG       PRO  16   9.793   3.702   0.119
   93   2HG   PRO  16          2HG       PRO  16  11.042   4.652  -0.700
   94   1HD   PRO  16          1HD       PRO  16   8.462   4.761  -1.466
   95   2HD   PRO  16          2HD       PRO  16   9.799   4.899  -2.631
   96    HA   PRO  17           HA       PRO  17   8.094  -0.840   0.438
   97   1HB   PRO  17          1HB       PRO  17   6.128   0.386   1.892
   98   2HB   PRO  17          2HB       PRO  17   7.850   0.552   2.284
   99   1HG   PRO  17          1HG       PRO  17   6.016   2.534   1.220
  100   2HG   PRO  17          2HG       PRO  17   7.640   2.753   1.883
  101   1HD   PRO  17          1HD       PRO  17   6.791   2.601  -0.903
  102   2HD   PRO  17          2HD       PRO  17   8.341   3.121  -0.224
  103    H    TYR  18           H        TYR  18   7.132  -0.351  -2.269
  104    HA   TYR  18           HA       TYR  18   4.364  -0.114  -2.639
  105   1HB   TYR  18          1HB       TYR  18   4.827  -1.496  -4.717
  106   2HB   TYR  18          2HB       TYR  18   5.893  -0.114  -4.484
  107    HD1  TYR  18           HD1      TYR  18   5.646  -3.791  -3.826
  108    HD2  TYR  18           HD2      TYR  18   8.215  -0.405  -4.428
  109    HE1  TYR  18           HE1      TYR  18   7.622  -5.295  -3.873
  110    HE2  TYR  18           HE2      TYR  18  10.188  -1.911  -4.472
  111    HH   TYR  18           HH       TYR  18  10.625  -4.371  -3.364
  112    H    CYS  19           H        CYS  19   2.781  -1.826  -3.214
  113    HA   CYS  19           HA       CYS  19   2.528  -3.807  -1.100
  114   1HB   CYS  19          1HB       CYS  19   0.914  -3.697  -3.652
  115   2HB   CYS  19          2HB       CYS  19   0.371  -4.122  -2.031
  116    H    CYS  20           H        CYS  20   2.284  -6.168  -1.516
  117    HA   CYS  20           HA       CYS  20   4.348  -7.114  -3.420
  118   1HB   CYS  20          1HB       CYS  20   3.992  -7.795  -0.954
  119   2HB   CYS  20          2HB       CYS  20   2.677  -8.792  -1.562
  120    H    SER  21           H        SER  21   0.873  -7.718  -2.826
  121    HA   SER  21           HA       SER  21   0.766  -9.296  -5.362
  122   1HB   SER  21          1HB       SER  21  -1.516  -9.865  -4.457
  123   2HB   SER  21          2HB       SER  21  -0.204 -10.283  -3.354
  124    HG   SER  21           HG       SER  21  -2.247  -8.861  -2.733
  125    H    SER  22           H        SER  22  -1.568  -7.083  -3.844
  126    HA   SER  22           HA       SER  22  -1.466  -5.118  -5.944
  127   1HB   SER  22          1HB       SER  22  -3.199  -7.501  -6.207
  128   2HB   SER  22          2HB       SER  22  -3.957  -5.963  -6.609
  129    HG   SER  22           HG       SER  22  -1.439  -6.851  -7.613
  130    H    TYR  23           H        TYR  23  -2.226  -5.718  -2.808
  131    HA   TYR  23           HA       TYR  23  -4.659  -3.961  -2.854
  132   1HB   TYR  23          1HB       TYR  23  -4.474  -6.224  -1.587
  133   2HB   TYR  23          2HB       TYR  23  -3.497  -5.302  -0.448
  134    HD1  TYR  23           HD1      TYR  23  -6.869  -5.914  -1.674
  135    HD2  TYR  23           HD2      TYR  23  -4.427  -3.307   0.715
  136    HE1  TYR  23           HE1      TYR  23  -8.905  -4.956  -0.629
  137    HE2  TYR  23           HE2      TYR  23  -6.463  -2.357   1.759
  138    HH   TYR  23           HH       TYR  23  -9.459  -3.784   1.588
  139    H    CYS  24           H        CYS  24  -4.658  -2.006  -1.894
  140    HA   CYS  24           HA       CYS  24  -2.365  -1.050  -0.286
  141   1HB   CYS  24          1HB       CYS  24  -1.555  -0.581  -2.483
  142   2HB   CYS  24          2HB       CYS  24  -3.145  -0.064  -3.042
  143    H    PHE  25           H        PHE  25  -3.625  -0.361   1.463
  144    HA   PHE  25           HA       PHE  25  -6.198   1.046   0.975
  145   1HB   PHE  25          1HB       PHE  25  -5.444  -0.800   2.751
  146   2HB   PHE  25          2HB       PHE  25  -4.964   0.618   3.662
  147    HD1  PHE  25           HD1      PHE  25  -7.833  -1.124   2.099
  148    HD2  PHE  25           HD2      PHE  25  -6.576   2.180   4.542
  149    HE1  PHE  25           HE1      PHE  25 -10.189  -0.700   2.738
  150    HE2  PHE  25           HE2      PHE  25  -8.933   2.603   5.182
  151    HZ   PHE  25           HZ       PHE  25 -10.741   1.161   4.280
  152    H    GLN  26           H        GLN  26  -5.328   3.064   0.092
  153    HA   GLN  26           HA       GLN  26  -3.792   4.739   2.055
  154   1HB   GLN  26          1HB       GLN  26  -2.586   4.317   0.023
  155   2HB   GLN  26          2HB       GLN  26  -4.000   4.687  -0.953
  156   1HG   GLN  26          1HG       GLN  26  -3.423   6.907   0.797
  157   2HG   GLN  26          2HG       GLN  26  -1.977   6.478  -0.105
  158   1HE2  GLN  26          1HE2      GLN  26  -2.131   8.396  -1.469
  159   2HE2  GLN  26          2HE2      GLN  26  -3.341   8.535  -2.659
  160    H    ILE  27           H        ILE  27  -4.499   6.879   2.453
  161    HA   ILE  27           HA       ILE  27  -7.241   7.543   1.419
  162    HB   ILE  27           HB       ILE  27  -6.970   8.787   3.896
  163   1HG1  ILE  27          1HG1      ILE  27  -5.958   5.927   4.059
  164   2HG1  ILE  27          2HG1      ILE  27  -5.020   7.372   4.438
  165   1HG2  ILE  27          1HG2      ILE  27  -8.445   6.547   4.434
  166   2HG2  ILE  27          2HG2      ILE  27  -9.067   7.970   3.598
  167   3HG2  ILE  27          3HG2      ILE  27  -8.497   6.581   2.672
  168   1HD1  ILE  27          1HD1      ILE  27  -7.526   6.440   5.867
  169   2HD1  ILE  27          2HD1      ILE  27  -5.883   6.385   6.505
  170   3HD1  ILE  27          3HD1      ILE  27  -6.666   7.939   6.217
  171    H    ALA  28           H        ALA  28  -7.740   9.889   1.476
  172    HA   ALA  28           HA       ALA  28  -5.423  11.483   0.551
  173   1HB   ALA  28          1HB       ALA  28  -7.177  12.964  -0.272
  174   2HB   ALA  28          2HB       ALA  28  -7.613  11.297  -0.651
  175   3HB   ALA  28          3HB       ALA  28  -8.384  12.125   0.703
  176    H    GLY  29           H        GLY  29  -6.280  10.895   3.597
  177   1HA   GLY  29          1HA       GLY  29  -6.706  13.611   4.610
  178   2HA   GLY  29          2HA       GLY  29  -6.448  12.171   5.593
  179    H    GLN  30           H        GLN  30  -4.044  11.234   4.882
  180    HA   GLN  30           HA       GLN  30  -2.169  13.539   5.334
  181   1HB   GLN  30          1HB       GLN  30  -2.780  11.147   6.803
  182   2HB   GLN  30          2HB       GLN  30  -1.092  11.100   6.293
  183   1HG   GLN  30          1HG       GLN  30  -0.534  13.023   7.473
  184   2HG   GLN  30          2HG       GLN  30  -2.183  13.648   7.440
  185   1HE2  GLN  30          1HE2      GLN  30  -1.386  13.837   9.900
  186   2HE2  GLN  30          2HE2      GLN  30  -1.832  12.535  10.889
  187    H    SER  31           H        SER  31  -3.019  11.457   2.942
  188    HA   SER  31           HA       SER  31  -1.907  10.733   0.986
  189   1HB   SER  31          1HB       SER  31  -0.803  13.046   1.480
  190   2HB   SER  31          2HB       SER  31   0.563  12.099   2.066
  191    HG   SER  31           HG       SER  31  -0.147  12.659  -0.461
  192    H    TYR  32           H        TYR  32  -2.136   8.837   2.874
  193    HA   TYR  32           HA       TYR  32   0.408   7.329   2.626
  194   1HB   TYR  32          1HB       TYR  32   0.678   7.041   4.956
  195   2HB   TYR  32          2HB       TYR  32   0.256   8.740   4.782
  196    HD1  TYR  32           HD1      TYR  32  -2.031   9.534   5.357
  197    HD2  TYR  32           HD2      TYR  32  -0.812   5.469   6.008
  198    HE1  TYR  32           HE1      TYR  32  -3.944   9.206   6.907
  199    HE2  TYR  32           HE2      TYR  32  -2.727   5.142   7.551
  200    HH   TYR  32           HH       TYR  32  -4.247   7.314   9.057
  201    H    GLY  33           H        GLY  33   0.105   5.049   2.692
  202   1HA   GLY  33          1HA       GLY  33  -2.625   4.016   3.181
  203   2HA   GLY  33          2HA       GLY  33  -1.975   3.803   1.559
  204    H    VAL  34           H        VAL  34  -2.661   1.568   2.941
  205    HA   VAL  34           HA       VAL  34   0.022   0.416   3.649
  206    HB   VAL  34           HB       VAL  34  -1.260  -1.021   5.295
  207   1HG1  VAL  34          1HG1      VAL  34  -1.905   1.609   6.336
  208   2HG1  VAL  34          2HG1      VAL  34  -0.634   0.495   6.838
  209   3HG1  VAL  34          3HG1      VAL  34  -0.343   1.626   5.516
  210   1HG2  VAL  34          1HG2      VAL  34  -3.495  -0.673   4.216
  211   2HG2  VAL  34          2HG2      VAL  34  -3.501  -0.320   5.944
  212   3HG2  VAL  34          3HG2      VAL  34  -3.463   1.001   4.776
  213    H    CYS  35           H        CYS  35   0.516  -1.429   2.522
  214    HA   CYS  35           HA       CYS  35  -1.418  -2.389   0.521
  215   1HB   CYS  35          1HB       CYS  35   1.415  -3.187   1.178
  216   2HB   CYS  35          2HB       CYS  35   0.521  -3.708  -0.233
  217    H    LYS  36           H        LYS  36  -1.871  -4.608   0.232
  218    HA   LYS  36           HA       LYS  36  -1.541  -6.475   2.527
  219   1HB   LYS  36          1HB       LYS  36  -3.766  -4.822   2.216
  220   2HB   LYS  36          2HB       LYS  36  -4.294  -6.396   1.617
  221   1HG   LYS  36          2HG       LYS  36  -2.723  -6.368   4.151
  222   2HG   LYS  36          1HG       LYS  36  -4.380  -5.764   4.225
  223   1HD   LYS  36          1HD       LYS  36  -5.220  -7.844   4.075
  224   2HD   LYS  36          2HD       LYS  36  -4.260  -8.183   2.642
  225   1HE   LYS  36          1HE       LYS  36  -3.319  -9.745   4.084
  226   2HE   LYS  36          2HE       LYS  36  -2.298  -8.352   4.488
  227   1HZ   LYS  36          1HZ       LYS  36  -3.093  -8.499   6.555
  228   2HZ   LYS  36          2HZ       LYS  36  -4.270  -9.654   6.095
  229   3HZ   LYS  36          3HZ       LYS  36  -4.607  -7.996   5.948
  230    H    ASN  37           H        ASN  37  -2.665  -8.627   1.922
  231    HA   ASN  37           HA       ASN  37  -1.650  -9.640  -0.571
  232   1HB   ASN  37          1HB       ASN  37  -3.449 -10.586   1.655
  233   2HB   ASN  37          2HB       ASN  37  -3.286 -11.572   0.205
  234   1HD2  ASN  37          1HD2      ASN  37  -1.025 -12.302  -0.344
  235   2HD2  ASN  37          2HD2      ASN  37   0.114 -12.455   0.903
  236    H    ARG  38           H        ARG  38  -5.065  -9.496   0.503
  237    HA   ARG  38           HA       ARG  38  -5.971  -8.337  -2.000
  238   1HB   ARG  38          1HB       ARG  38  -5.592 -11.107  -1.824
  239   2HB   ARG  38          2HB       ARG  38  -7.328 -10.884  -1.610
  240   1HG   ARG  38          1HG       ARG  38  -5.813  -9.517  -3.841
  241   2HG   ARG  38          2HG       ARG  38  -6.480 -11.137  -4.031
  242   1HD   ARG  38          1HD       ARG  38  -8.125  -8.719  -3.187
  243   2HD   ARG  38          2HD       ARG  38  -8.049  -9.348  -4.846
  244    HE   ARG  38           HE       ARG  38  -8.663 -11.613  -3.464
  245   1HH1  ARG  38          1HH1      ARG  38  -9.580  -9.195  -1.580
  246   2HH1  ARG  38          2HH1      ARG  38 -11.300  -9.348  -1.831
  247   1HH2  ARG  38          1HH2      ARG  38 -10.984 -11.464  -4.547
  248   2HH2  ARG  38          2HH2      ARG  38 -12.091 -10.628  -3.515