*HEADER    TOXIN                                   24-JAN-00   1DW4              
*TITLE     NMR STRUCTURE OF OMEGA-CONOTOXIN MVIIA: CONSTRAINTS ON                
*TITLE    2 DISULPHIDE BRIDGES                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OMEGA-CONOTOXIN MVIIA;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: LIGAND TO N-TYPE CALCIUM CHANNELS                     
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED.              
*SOURCE   4 THE SEQUENCE OF THIS PEPTIDE NATURALLY OCCURS IN CONUS               
*SOURCE   5 MAGUS (MAGUS CONE)                                                   
*KEYWDS    CONOTOXIN, CALCIUM CHANNEL, CONFORMATIONAL EXCHANGE                   
*EXPDTA    NMR, 32 MODELS                                                        
*AUTHOR    R.A.ATKINSON, B.KIEFFER, A.DEJAEGERE, F.SIROCKIN, J.-                 
*AUTHOR   2 F.LEFEVRE                                                            
*REVDAT   1   01-MAR-00 1DW4    0
! cys1 : hb1=HB1, chi1=+60
! lys2 : hb1=HB2, chi1=-60
! gly3 : ha1=HA2
! cys8 : hb1=HB2, chi1=+60
! tyr13 : hb1=HB1, chi1=-60
! cys15 : hb1=HB1, chi1=-60
! cys20 : hb1=HB1, chi1=-60
! lys24 : hb1=HB2, chi1=-60
! cys25 : hb1=HB1, chi1=-60
!
! 50ms HN - HN
!
assign (resid 2 and name hn)    (resid 16 and name hn)   4.0 4.0 0.0
assign (resid 16 and name hn)   (resid 17 and name hn)   3.7 3.7 0.0
assign (resid 22 and name hn)   (resid 23 and name hn)   3.7 3.7 0.0 
assign (resid 5 and name hn)    (resid 25 and name hn)   4.0 4.0 0.0 
assign (resid 5 and name hn)    (resid 6 and name hn)    3.7 3.7 0.0
assign (resid 10 and name hn)   (resid 11 and name hn)   4.0 4.0 0.0
assign (resid 6 and name hn)    (resid 25 and name hn)   4.0 4.0 0.0
assign (resid 21 and name hn)   (resid 24 and name hn)   3.7 3.7 0.0
assign (resid 14 and name hn)   (resid 15 and name hn)   3.7 3.7 0.0
assign (resid 25 and name h1)   (resid 25 and name h2)   2.7 2.7 0.0 
assign (resid 23 and name hn)   (resid 24 and name hn)   3.7 3.7 0.0
assign (resid 11 and name hn)   (resid 12 and name hn)   3.7 3.7 0.0
assign (resid 13 and name hn)   (resid 14 and name hn)   3.3 3.3 0.0
assign (resid 12 and name hn)   (resid 13 and name hn)   4.0 4.0 0.0
assign (resid 13 and name hn)   (resid 13 and name hd*)  4.0 4.0 2.0
assign (resid 13 and name hd*)  (resid 13 and name he*)  2.7 2.7 2.0
assign (resid 15 and name hn)   (resid 16 and name hn)   4.7 4.7 0.0
assign (resid 21 and name hn)   (resid 23 and name hn)   4.7 4.7 0.0
!
! 100ms HN - HN
!
assign (resid 2 and name hn)    (resid 3 and name hn)    4.7 4.7 0.0
assign (resid 4 and name hn)    (resid 5 and name hn)    4.7 4.7 0.0
assign (resid 5 and name hn)    (resid 25 and name h1)   4.7 4.7 0.0
assign (resid 8 and name hn)    (resid 9 and name hn)    4.7 4.7 0.0
assign (resid 3 and name hn)    (resid 16 and name hn)   4.7 4.7 0.0
assign (resid 3 and name hn)    (resid 4 and name hn)    4.7 4.7 0.0
assign (resid 7 and name hn)    (resid 25 and name hn)   4.7 4.7 0.0
assign (resid 8 and name hn)    (resid 25 and name hn)   4.7 4.7 0.0
assign (resid 24 and name hn)   (resid 25 and name hn)   4.7 4.7 0.0
assign (resid 19 and name hn)   (resid 20 and name hn)   4.7 4.7 0.0
assign (resid 5 and name hn)    (resid 25 and name h2)   4.7 4.7 0.0
assign (resid 5 and name hn)    (resid 7 and name hn)    4.7 4.7 0.0
assign (resid 6 and name hn)    (resid 7 and name hn)    4.7 4.7 0.0
assign (resid 4 and name hn)    (resid 6 and name hn)    4.7 4.7 0.0
!assign (resid 8 and name hn)    (resid 9 and name hn)    4.7 4.7 0.0  !**
!assign (resid 8 and name hn)    (resid 25 and name hn)   4.7 4.7 0.0  !**
assign (resid 8 and name hn)    (resid 24 and name hn)   4.7 4.7 0.0
assign (resid 14 and name hn)   (resid 13 and name hd*)  4.7 4.7 2.0
assign (resid 15 and name hn)   (resid 13 and name hd*)  4.7 4.7 2.0
!
! 50ms + 100ms HN - HA 
!
assign (resid 16 and name hn)   (resid 15 and name ha)   3.0 3.0 0.0 
assign (resid 16 and name hn)   (resid 16 and name ha)   3.7 3.7 0.0
assign (resid 16 and name hn)   (resid 16 and name hb1)  4.0 4.0 0.0
assign (resid 16 and name hn)   (resid 15 and name hb1)  3.3 3.3 0.0  ! 
assign (resid 16 and name hn)   (resid 16 and name hb2)  3.3 3.3 0.7
assign (resid 16 and name hn)   (resid 15 and name hb2)  4.7 4.7 0.0  ! 
assign (resid 16 and name hn)   (resid 1 and name ha)    4.7 4.7 0.0 
assign (resid 16 and name hn)   (resid 2 and name ha)    4.7 4.7 0.0 
assign (resid 16 and name hn)   (resid 3 and name ha2)   4.7 4.7 0.0  !ha1=HA2
assign (resid 22 and name hn)   (resid 21 and name ha)   3.0 3.0 0.0 
assign (resid 22 and name hn)   (resid 22 and name hb1)  4.0 4.0 0.0
assign (resid 22 and name hn)   (resid 22 and name ha)   3.0 3.0 0.0
assign (resid 22 and name hn)   (resid 22 and name hb2)  4.0 4.0 0.0
assign (resid 2 and name hn)    (resid 15 and name ha)   3.7 3.7 0.0
assign (resid 2 and name hn)    (resid 1 and name ha)    3.0 3.0 0.0
assign (resid 2 and name hn)    (resid 2 and name ha)    3.7 3.7 0.0
assign (resid 2 and name hn)    (resid 1 and name hb1)   4.0 4.0 0.0  !
assign (resid 2 and name hn)    (resid 1 and name hb2)   3.3 3.3 0.0  !
assign (resid 2 and name hn)    (resid 14 and name hb*)  4.7 4.7 1.0  !hb1
assign (resid 2 and name hn)    (resid 14 and name ha)   4.7 4.7 0.0
assign (resid 2 and name hn)    (resid 16 and name ha)   4.7 4.7 0.0
assign (resid 5 and name hn)    (resid 5 and name ha1)   3.7 3.7 0.0
assign (resid 5 and name hn)    (resid 4 and name ha)    3.0 3.0 0.0
assign (resid 5 and name hn)    (resid 5 and name ha2)   3.0 3.0 0.7
assign (resid 5 and name hn)    (resid 25 and name hb1)  4.0 4.0 0.0  !
assign (resid 5 and name hn)    (resid 25 and name hb2)  3.7 3.7 0.0  !
assign (resid 9 and name hn)    (resid 8 and name ha)    3.3 3.3 0.0
assign (resid 9 and name hn)    (resid 9 and name ha)    3.7 3.7 0.0
assign (resid 9 and name hn)    (resid 9 and name hb1)   4.0 4.0 0.0
assign (resid 9 and name hn)    (resid 9 and name hb2)   3.7 3.7 0.3
assign (resid 9 and name hn)    (resid 8 and name hb2)   3.3 3.3 0.0  !
assign (resid 9 and name hn)    (resid 8 and name hb1)   4.0 4.0 0.0  !
assign (resid 3 and name hn)    (resid 2 and name ha)    3.0 3.0 0.0
assign (resid 3 and name hn)    (resid 3 and name ha2)   3.3 3.3 0.0  !
assign (resid 3 and name hn)    (resid 3 and name ha1)   3.0 3.0 0.0  !
assign (resid 10 and name hn)   (resid 9 and name ha)    3.3 3.3 0.0
assign (resid 10 and name hn)   (resid 10 and name ha)   4.0 4.0 0.0
assign (resid 10 and name hn)   (resid 9 and name hb1)   4.0 4.0 0.0
assign (resid 10 and name hn)   (resid 9 and name hb2)   4.0 4.0 0.0
assign (resid 25 and name hn)   (resid 24 and name ha)   3.0 3.0 0.0
assign (resid 25 and name hn)   (resid 25 and name ha)   3.7 3.7 0.0 
assign (resid 25 and name hn)   (resid 7 and name ha)    4.0 4.0 0.0  !pas (resid 20 and name ha)
assign (resid 25 and name hn)   (resid 25 and name hb1)  4.0 4.0 0.0  !
assign (resid 25 and name hn)   (resid 25 and name hb2)  3.3 3.3 0.0  !
assign (resid 25 and name hn)   (resid 8 and name hb1)   4.0 4.0 0.0  !hb2=HB1
assign (resid 25 and name hn)   (resid 6 and name ha)    4.7 4.7 0.0
assign (resid 25 and name hn)   (resid 4 and name ha)    4.7 4.7 0.0
assign (resid 25 and name hn)   (resid 5 and name ha*)   4.7 4.7 1.0  !ha2
assign (resid 20 and name hn)   (resid 19 and name ha)   3.0 3.0 0.0 
assign (resid 20 and name hn)   (resid 20 and name ha)   4.0 4.0 0.0
assign (resid 20 and name hn)   (resid 19 and name hb1)  4.0 4.0 0.0
assign (resid 20 and name hn)   (resid 19 and name hb2)  3.7 3.7 0.3
assign (resid 20 and name hn)   (resid 20 and name hb1)  3.7 3.7 0.0  !
assign (resid 20 and name hn)   (resid 20 and name hb2)  3.3 3.3 0.0  !
assign (resid 20 and name hn)   (resid 25 and name ha)   4.7 4.7 0.0
assign (resid 20 and name hn)   (resid 11 and name ha)   4.7 4.7 0.0
assign (resid 21 and name hn)   (resid 25 and name ha)   4.0 4.0 0.0
assign (resid 21 and name hn)   (resid 20 and name ha)   3.0 3.0 0.3
assign (resid 21 and name hn)   (resid 21 and name ha)   3.0 3.0 0.3
assign (resid 21 and name hn)   (resid 21 and name hd*)  4.7 4.7 1.0
assign (resid 21 and name hn)   (resid 20 and name hb1)  4.7 4.7 0.0  !
assign (resid 21 and name hn)   (resid 20 and name hb2)  4.7 4.7 0.0  !
assign (resid 15 and name hn)   (resid 15 and name ha)   4.0 4.0 0.0
assign (resid 15 and name hn)   (resid 14 and name ha)   4.0 4.0 0.0
assign (resid 15 and name hn)   (resid 13 and name ha)   4.0 4.0 0.0
assign (resid 15 and name hn)   (resid 15 and name hb1)  4.0 4.0 0.0  !
assign (resid 15 and name hn)   (resid 15 and name hb2)  3.3 3.3 0.0  !
assign (resid 15 and name hn)   (resid 14 and name hb1)  4.0 4.0 0.7
assign (resid 15 and name hn)   (resid 14 and name hb2)  4.7 4.7 0.0
!assign (resid 15 and name hn)   (resid 13 and name hb1)  4.7 4.7 0.0 !no
assign (resid 18 and name hn)   (resid 17 and name ha)   3.3 3.3 0.0
assign (resid 18 and name hn)   (resid 18 and name ha1)  3.3 3.3 0.0
assign (resid 18 and name hn)   (resid 18 and name ha2)  3.0 3.0 0.3
!assign (resid 18 and name hn)   (resid 12 and name ha)   4.7 4.7 0.0 !no
assign (resid 25 and name h1)   (resid 25 and name ha)   3.0 3.0 0.0
assign (resid 25 and name h1)   (resid 20 and name ha)   4.0 4.0 0.0
assign (resid 25 and name h1)   (resid 25 and name hb1)  4.0 4.0 0.0  !
assign (resid 25 and name h1)   (resid 25 and name hb2)  4.0 4.0 0.0  !
assign (resid 25 and name h1)   (resid 15 and name ha)   4.7 4.7 0.0
assign (resid 25 and name h1)   (resid 15 and name hb2)  4.7 4.7 0.0  !hb2=HB2
assign (resid 23 and name hn)   (resid 21 and name ha)   4.0 4.0 0.0
assign (resid 23 and name hn)   (resid 23 and name ha1)  3.7 3.7 0.0
assign (resid 23 and name hn)   (resid 22 and name ha)   3.7 3.7 0.0
assign (resid 23 and name hn)   (resid 23 and name ha2)  3.0 3.0 0.7
assign (resid 23 and name hn)   (resid 22 and name hb*)  4.7 4.7 1.0  !hb2
assign (resid 17 and name hn)   (resid 17 and name ha)   3.7 3.7 0.0
assign (resid 17 and name hn)   (resid 16 and name ha)   4.0 4.0 0.0
assign (resid 17 and name hn)   (resid 17 and name hb)   3.7 3.7 0.3  !+0.3A overlap
assign (resid 17 and name hn)   (resid 16 and name hb1)  4.0 4.0 0.0
assign (resid 17 and name hn)   (resid 15 and name hb1)  3.7 3.7 0.0  !
assign (resid 17 and name hn)   (resid 16 and name hb2)  3.7 3.7 0.3
assign (resid 17 and name hn)   (resid 15 and name hb2)  4.0 4.0 0.0  !
assign (resid 17 and name hn)   (resid 15 and name ha)   4.7 4.7 0.0
assign (resid 19 and name hn)   (resid 19 and name ha)   3.7 3.7 0.0
assign (resid 19 and name hn)   (resid 18 and name ha1)  3.0 3.0 1.0
assign (resid 19 and name hn)   (resid 18 and name ha2)  3.7 3.7 0.3  !ok
assign (resid 19 and name hn)   (resid 19 and name hb1)  3.7 3.7 0.3  !ok
assign (resid 19 and name hn)   (resid 19 and name hb2)  3.7 3.7 0.3  !ok
assign (resid 7 and name hn)    (resid 7 and name ha)    3.7 3.7 0.0
assign (resid 7 and name hn)    (resid 6 and name ha)    3.0 3.0 0.0
assign (resid 7 and name hn)    (resid 24 and name ha)   4.7 4.7 0.0
assign (resid 4 and name hn)    (resid 3 and name ha2)   3.3 3.3 0.0  !
assign (resid 4 and name hn)    (resid 3 and name ha1)   3.3 3.3 0.0  !
assign (resid 4 and name hn)    (resid 4 and name ha)    3.3 3.3 0.4
assign (resid 4 and name hn)    (resid 25 and name hb1)  4.7 4.7 0.0  !hb1=HB1
assign (resid 8 and name hn)    (resid 24 and name ha)   3.7 3.7 0.0
assign (resid 8 and name hn)    (resid 8 and name ha)    4.0 4.0 0.0
assign (resid 8 and name hn)    (resid 7 and name ha)    2.7 2.7 0.0
assign (resid 8 and name hn)    (resid 8 and name hb2)   4.0 4.0 0.0  !
assign (resid 8 and name hn)    (resid 8 and name hb1)   4.0 4.0 0.0  !
assign (resid 8 and name hn)    (resid 23 and name ha1)  4.7 4.7 0.0
assign (resid 8 and name hn)    (resid 23 and name ha2)  4.0 4.0 0.7
assign (resid 11 and name hn)   (resid 11 and name ha)   3.7 3.7 0.0
assign (resid 11 and name hn)   (resid 9 and name hb*)   4.7 4.7 1.0  !hb2
assign (resid 14 and name hn)   (resid 14 and name ha)   3.7 3.7 0.0
assign (resid 14 and name hn)   (resid 13 and name ha)   3.7 3.7 0.0
assign (resid 14 and name hn)   (resid 14 and name hb1)  3.7 3.7 0.0
assign (resid 14 and name hn)   (resid 14 and name hb2)  3.7 3.7 0.0
assign (resid 14 and name hn)   (resid 13 and name hb1)  4.7 4.7 0.0  !hb1=HB1
assign (resid 14 and name hn)   (resid 15 and name hb1)  4.7 4.7 1.0  !hb1=HB1
assign (resid 13 and name hn)   (resid 13 and name ha)   3.3 3.3 0.0 
assign (resid 13 and name hn)   (resid 12 and name ha)   3.7 3.7 0.0
assign (resid 13 and name hn)   (resid 13 and name hb1)  4.7 4.7 0.0  !
assign (resid 13 and name hn)   (resid 13 and name hb2)  4.0 4.0 0.0  !
assign (resid 13 and name hn)   (resid 11 and name ha)   4.7 4.7 0.0
assign (resid 6 and name hn)    (resid 5 and name ha1)   3.3 3.3 0.7
assign (resid 6 and name hn)    (resid 6 and name ha)    3.7 3.7 0.0
assign (resid 6 and name hn)    (resid 4 and name ha)    4.0 4.0 0.0
assign (resid 6 and name hn)    (resid 5 and name ha2)   4.0 4.0 0.0
assign (resid 6 and name hn)    (resid 25 and name hb1)  4.0 4.0 0.0  !
assign (resid 6 and name hn)    (resid 25 and name hb2)  3.7 3.7 0.0  !
assign (resid 24 and name hn)   (resid 24 and name ha)   3.3 3.3 0.4
assign (resid 24 and name hn)   (resid 23 and name ha1)  4.0 4.0 0.0
assign (resid 24 and name hn)   (resid 23 and name ha2)  4.0 4.0 0.0
assign (resid 24 and name hn)   (resid 22 and name hb*)  4.7 4.7 1.0  !hb2
!assign (resid 24 and name hn)   (resid 7/20 and name ha) 4.7 4.7 0.0 !both possible
assign (resid 12 and name hn)   (resid 12 and name ha)   4.0 4.0 0.0
assign (resid 12 and name hn)   (resid 11 and name ha)   4.0 4.0 0.0
assign (resid 12 and name hn)   (resid 12 and name hg*)  4.7 4.7 1.0  !hg1
assign (resid 25 and name h2)   (resid 25 and name ha)   4.0 4.0 0.0
assign (resid 25 and name h2)   (resid 25 and name hb1)  4.0 4.0 0.0  !
assign (resid 25 and name h2)   (resid 25 and name hb2)  4.7 4.7 0.0  !
assign (resid 25 and name h2)   (resid 4 and name ha)    4.7 4.7 0.0
assign (resid 10 and name he)   (resid 10 and name hd1)  4.0 4.0 0.0
assign (resid 10 and name he)   (resid 10 and name hd2)  3.7 3.7 0.3
assign (resid 21 and name he)   (resid 21 and name hd*)  4.0 4.0 0.6
assign (resid 13 and name hd*)  (resid 13 and name ha)   3.3 3.3 1.0
assign (resid 13 and name hd*)  (resid 11 and name ha)   4.0 4.0 2.0
assign (resid 13 and name hd*)  (resid 13 and name hb1)  3.3 3.3 0.6  !
assign (resid 13 and name hd*)  (resid 13 and name hb2)  3.3 3.3 0.6  !
assign (resid 13 and name he*)  (resid 11 and name ha)   3.0 3.0 2.0
assign (resid 13 and name he*)  (resid 13 and name hb1)  4.0 4.0 0.6  !
assign (resid 13 and name he*)  (resid 13 and name hb2)  4.0 4.0 0.6  !
!
! HN-HB, HG, HD
!
assign (resid 16 and name hn)   (resid 2 and name hb2)   4.0 4.0 0.0  !
assign (resid 16 and name hn)   (resid 2 and name hb1)   4.7 4.7 0.0  !
assign (resid 22 and name hn)   (resid 21 and name hb1)  4.0 4.0 0.3  ! +0.3A overlap
assign (resid 22 and name hn)   (resid 21 and name hb2)  4.0 4.0 0.3  ! +0.3A overlap
assign (resid 22 and name hn)   (resid 21 and name hg1)  4.7 4.7 0.0
assign (resid 22 and name hn)   (resid 21 and name hg2)  4.7 4.7 0.0
assign (resid 2 and name hn)    (resid 2 and name hb2)   3.3 3.3 0.0  !
assign (resid 2 and name hn)    (resid 2 and name hb1)   3.7 3.7 0.0  !
assign (resid 2 and name hn)    (resid 2 and name hg1)   3.7 3.7 0.3
assign (resid 2 and name hn)    (resid 2 and name hg2)   4.0 4.0 0.0
assign (resid 2 and name hn)    (resid 2 and name hd*)   4.7 4.7 1.0
assign (resid 5 and name hn)    (resid 4 and name hb1)   4.0 4.0 0.0
assign (resid 5 and name hn)    (resid 4 and name hb2)   4.0 4.0 0.0
assign (resid 5 and name hn)    (resid 4 and name hg1)   4.0 4.0 0.0
assign (resid 5 and name hn)    (resid 4 and name hg2)   4.0 4.0 0.0
assign (resid 5 and name hn)    (resid 6 and name hb*)   4.7 4.7 1.0
!assign (resid 5 and name hn)    (resid 24 and name h*)   4.7 4.7 0.0 !check
!assign (resid 9 and name hn)    (resid 10/11/24 and name h*)   4.7 4.7 0.0 !check
assign (resid 9 and name hn)    (resid 12 and name hb*)  4.7 4.7 1.0
assign (resid 3 and name hn)    (resid 2 and name hb2)   4.0 4.0 0.0  !
assign (resid 3 and name hn)    (resid 2 and name hb1)   3.7 3.7 0.0  !
assign (resid 3 and name hn)    (resid 2 and name hg1)   4.7 4.7 0.0
assign (resid 3 and name hn)    (resid 2 and name hg2)   4.7 4.7 0.0
assign (resid 3 and name hn)    (resid 6 and name hb*)   3.7 3.7 1.0
assign (resid 10 and name hn)   (resid 10 and name hb*)  3.3 3.3 0.6
assign (resid 10 and name hn)   (resid 10 and name hg*)  4.0 4.0 1.0
assign (resid 25 and name hn)   (resid 24 and name hb2)  4.0 4.0 0.0  !
assign (resid 25 and name hn)   (resid 24 and name hb1)  3.7 3.7 0.0  !
assign (resid 25 and name hn)   (resid 24 and name hg1)  4.7 4.7 0.0
assign (resid 25 and name hn)   (resid 24 and name hg2)  4.7 4.7 0.0
assign (resid 25 and name hn)   (resid 6 and name hb*)   4.0 4.0 1.0
!assign (resid 20 and name hn)    (resid 11 and name hg)   4.7 4.7 0.0 !check
assign (resid 21 and name hn)   (resid 21 and name hb1)  3.7 3.7 0.0
assign (resid 21 and name hn)   (resid 21 and name hb2)  3.7 3.7 0.0
assign (resid 21 and name hn)   (resid 21 and name hg1)  4.0 4.0 0.7
assign (resid 21 and name hn)   (resid 21 and name hg2)  4.7 4.7 0.0
assign (resid 18 and name hn)   (resid 17 and name hg2*) 4.0 4.0 1.0
assign (resid 17 and name hn)   (resid 17 and name hg2*) 4.0 4.0 1.0
assign (resid 7 and name hn)    (resid 7 and name hb*)   3.0 3.0 0.6
assign (resid 7 and name hn)    (resid 7 and name hg1)   3.7 3.7 0.3  ! +0.3A overlap
assign (resid 7 and name hn)    (resid 6 and name hb*)   3.7 3.7 1.3  ! +0.3A overlap
assign (resid 7 and name hn)    (resid 7 and name hg2)   3.7 3.7 0.0  ! +0.3A overlap 
assign (resid 4 and name hn)    (resid 4 and name hb1)   3.3 3.3 0.0
assign (resid 4 and name hn)    (resid 4 and name hb2)   3.3 3.3 0.0
assign (resid 4 and name hn)    (resid 4 and name hg1)   4.0 4.0 0.0
assign (resid 4 and name hn)    (resid 4 and name hg2)   4.0 4.0 0.0
assign (resid 8 and name hn)    (resid 7 and name hb*)   4.0 4.0 1.0
assign (resid 8 and name hn)    (resid 7 and name hg1)   4.0 4.0 0.0
assign (resid 8 and name hn)    (resid 7 and name hg2)   4.0 4.0 0.0
assign (resid 11 and name hn)   (resid 10 and name hb*)  3.7 3.7 1.0
assign (resid 11 and name hn)   (resid 11 and name hb*)  3.3 3.3 1.0  ! +0.4A overlap
assign (resid 11 and name hn)   (resid 11 and name hg)   3.7 3.7 0.4  ! +0.4A overlap
assign (resid 11 and name hn)   (resid 11 and name hd*)  4.0 4.0 1.7
assign (resid 14 and name hn)   (resid 12 and name hb*)  4.0 4.0 1.0
!assign (resid 14 and name hn)    (resid 11 and name hb*)   4.7 4.7 0.0  !check
assign (resid 13 and name hn)   (resid 12 and name hb*)  4.0 4.0 1.0
assign (resid 6 and name hn)    (resid 6 and name hb*)   3.3 3.3 0.6
assign (resid 24 and name hn)   (resid 24 and name hb2)  3.7 3.7 0.0  !
assign (resid 24 and name hn)   (resid 24 and name hb1)  4.0 4.0 0.0  !
assign (resid 24 and name hn)   (resid 24 and name hg1)  4.0 4.0 0.0
assign (resid 24 and name hn)   (resid 24 and name hg2)  4.0 4.0 0.0
assign (resid 12 and name hn)   (resid 12 and name hb*)  3.7 3.7 0.6
!assign (resid 12 and name hn)    (resid 11 and name hbg*)   4.7 4.7 0.0  !check
assign (resid 10 and name he)   (resid 10 and name hb*)  4.0 4.0 1.0
assign (resid 10 and name he)   (resid 10 and name hg*)  4.0 4.0 0.6
assign (resid 21 and name he)   (resid 21 and name hb*)  4.7 4.7 1.0
assign (resid 21 and name he)   (resid 21 and name hg1)  4.7 4.7 0.0
assign (resid 21 and name he)   (resid 21 and name hg2)  4.7 4.7 0.0
assign (resid 13 and name he*)  (resid 11 and name hd*)  4.0 4.0 4.4
!assign (resid 13 and name hd*)    (resid 11 and name h*)  4.7 4.7 2.0  !check
!assign (resid 13 and name he*)    (resid 11 and name h*)  4.7 4.7 2.0  !check
!
!  HA-HB, etc
!
assign (resid 24 and name ha)   (resid 24 and name hb2)  3.7 3.7 0.0  !
assign (resid 24 and name ha)   (resid 24 and name hb1)  3.3 3.3 0.0  !
assign (resid 24 and name ha)   (resid 24 and name hg1)  4.0 4.0 0.0
assign (resid 24 and name ha)   (resid 24 and name hg2)  4.0 4.0 0.0
assign (resid 24 and name ha)   (resid 24 and name hd*)  4.7 4.7 0.6
assign (resid 24 and name ha)   (resid 7 and name ha)    3.7 3.7 0.0
assign (resid 24 and name ha)   (resid 25 and name hb2)  4.7 4.7 1.0  !hb2=HB2
assign (resid 24 and name ha)   (resid 8 and name hb1)   4.7 4.7 0.0  !hb2=HB1
assign (resid 8 and name ha)    (resid 8 and name hb2)   3.7 3.7 0.0  !
assign (resid 8 and name ha)    (resid 8 and name hb1)   3.3 3.3 0.0  !
assign (resid 8 and name ha)    (resid 9 and name hb*)   4.7 4.7 1.0  !hb2
assign (resid 15 and name ha)   (resid 15 and name hb1)  3.0 3.0 0.0  !
assign (resid 15 and name ha)   (resid 15 and name hb2)  3.7 3.7 0.0  !
assign (resid 15 and name ha)   (resid 2 and name hb2)   3.3 3.3 0.0  !
assign (resid 15 and name ha)   (resid 2 and name hb1)   3.7 3.7 0.0  !
assign (resid 15 and name ha)   (resid 16 and name hb1)  4.7 4.7 0.0
assign (resid 15 and name ha)   (resid 16 and name hb2)  4.7 4.7 0.0
assign (resid 25 and name ha)   (resid 25 and name hb1)  3.3 3.3 0.0  !
assign (resid 25 and name ha)   (resid 25 and name hb2)  3.7 3.7 0.0  !
assign (resid 25 and name ha)   (resid 20 and name ha)   3.7 3.7 0.0
assign (resid 14 and name ha)   (resid 14 and name hb1)  3.3 3.3 0.0
assign (resid 14 and name ha)   (resid 14 and name hb2)  3.3 3.3 0.0
assign (resid 19 and name ha)   (resid 19 and name hb1)  3.3 3.3 0.4
assign (resid 19 and name ha)   (resid 19 and name hb2)  3.7 3.7 0.0
assign (resid 19 and name ha)   (resid 15 and name hb1)  4.7 4.7 0.0  !
assign (resid 19 and name ha)   (resid 15 and name hb2)  4.7 4.7 0.0  !
assign (resid 9 and name ha)    (resid 9 and name hb1)   3.3 3.3 0.4
assign (resid 9 and name ha)    (resid 9 and name hb2)   3.7 3.7 0.0
assign (resid 20 and name ha)   (resid 20 and name hb1)  3.3 3.3 0.0  !
assign (resid 20 and name ha)   (resid 20 and name hb2)  3.7 3.7 0.0  !
assign (resid 20 and name ha)   (resid 8 and name hb2)   4.7 4.7 0.0  !hb1=HB2 (hb2 overlapped)
assign (resid 7 and name ha)    (resid 7 and name hg*)   4.0 4.0 0.6
assign (resid 7 and name ha)    (resid 24 and name hb*)  4.7 4.7 1.0
assign (resid 7 and name ha)    (resid 24 and name hg1)  4.7 4.7 0.0
assign (resid 7 and name ha)    (resid 24 and name hg2)  4.7 4.7 0.0
assign (resid 21 and name ha)   (resid 21 and name hb*)  3.3 3.3 0.6
assign (resid 21 and name ha)   (resid 21 and name hg1)  3.7 3.7 0.0
assign (resid 21 and name ha)   (resid 21 and name hg2)  3.7 3.7 0.0
assign (resid 21 and name ha)   (resid 21 and name hd*)  4.0 4.0 1.0
assign (resid 21 and name ha)   (resid 22 and name ha)   4.7 4.7 0.0
assign (resid 1 and name ha)    (resid 1 and name hb1)   3.3 3.3 0.0  !
assign (resid 1 and name ha)    (resid 1 and name hb2)   3.0 3.0 0.0  !
assign (resid 1 and name ha)    (resid 14 and name hb*)  3.7 3.7 1.0  !hb1
assign (resid 17 and name ha)   (resid 17 and name hb)   3.7 3.7 0.0
assign (resid 17 and name ha)   (resid 17 and name hg2*) 3.7 3.7 0.6
assign (resid 2 and name ha)    (resid 2 and name he*)   4.0 4.0 1.0
assign (resid 2 and name ha)    (resid 2 and name hb2)   3.7 3.7 0.0  !
assign (resid 2 and name ha)    (resid 2 and name hb1)   3.3 3.3 0.0  !
assign (resid 2 and name ha)    (resid 2 and name hd1)   3.7 3.7 0.0
assign (resid 2 and name ha)    (resid 2 and name hd2)   3.3 3.3 0.4
assign (resid 2 and name ha)    (resid 2 and name hg1)   3.7 3.7 0.0
assign (resid 2 and name ha)    (resid 2 and name hg2)   3.7 3.7 0.0
assign (resid 2 and name ha)    (resid 6 and name hb*)   4.0 4.0 1.0
assign (resid 2 and name ha)    (resid 1 and name hb2)   4.7 4.7 0.0  !hb1 overlapped
!assign (resid 2 and name ha)    (resid 3 and name ha*)   4.7 4.7 1.0  !check
assign (resid 13 and name ha)   (resid 13 and name hb1)  3.3 3.3 0.0  !
assign (resid 13 and name ha)   (resid 13 and name hb2)  3.3 3.3 0.0  !
assign (resid 12 and name ha)   (resid 12 and name hg1)  3.0 3.0 0.7
assign (resid 12 and name ha)   (resid 12 and name hg2)  3.7 3.7 0.0
assign (resid 12 and name ha)   (resid 12 and name hb*)  3.3 3.3 0.6
assign (resid 16 and name ha)   (resid 16 and name hb1)  3.0 3.0 0.3
assign (resid 16 and name ha)   (resid 1 and name hb1)   3.3 3.3 0.0  !
assign (resid 16 and name ha)   (resid 16 and name hb2)  3.3 3.3 0.0
assign (resid 5 and name ha1)   (resid 5 and name ha2)   2.7 2.7 0.0
assign (resid 5 and name ha*)   (resid 6 and name hb*)   3.7 3.7 2.0  !ha1
assign (resid 6 and name ha)    (resid 6 and name hb*)   3.0 3.0 0.6
assign (resid 6 and name ha)    (resid 7 and name hb*)   4.7 4.7 1.0
assign (resid 18 and name ha1)  (resid 18 and name ha2)  2.7 2.7 0.3
assign (resid 23 and name ha1)  (resid 23 and name ha2)  2.7 2.7 0.3
assign (resid 22 and name hb1)  (resid 22 and name hb2)  3.0 3.0 0.0
assign (resid 17 and name hb)   (resid 17 and name hg2*) 3.3 3.3 0.6
assign (resid 22 and name ha)   (resid 22 and name hb1)  4.7 4.7 0.0
assign (resid 22 and name ha)   (resid 22 and name hb2)  3.0 3.0 1.7
assign (resid 3 and name ha1)   (resid 3 and name ha2)   2.7 2.7 0.0
assign (resid 3 and name ha2)   (resid 16 and name hb1)  4.7 4.7 0.0  !ha1=HA2
assign (resid 3 and name ha2)   (resid 16 and name hb2)  4.7 4.7 0.0  !ha1=HA2
assign (resid 11 and name ha)   (resid 11 and name hb*)  3.0 3.0 0.6
assign (resid 11 and name ha)   (resid 11 and name hd1*) 4.0 4.0 0.0
assign (resid 11 and name ha)   (resid 11 and name hd2*) 3.3 3.3 0.7
assign (resid 11 and name ha)   (resid 11 and name hg)   4.7 4.7 0.0
assign (resid 10 and name ha)   (resid 20 and name hb1)  3.7 3.7 0.0  !
assign (resid 10 and name ha)   (resid 20 and name hb2)  3.3 3.3 0.0  !
assign (resid 10 and name ha)   (resid 10 and name hb*)  3.3 3.3 0.6
assign (resid 9 and name hb1)   (resid 9 and name hb2)   2.7 2.7 0.0
assign (resid 9 and name hb1)   (resid 12 and name hb*)  4.7 4.7 1.0
assign (resid 9 and name hb1)   (resid 12 and name hg1)  4.7 4.7 0.0
assign (resid 9 and name hb1)   (resid 12 and name hg2)  4.7 4.7 0.0
assign (resid 9 and name hb2)   (resid 12 and name hb*)  4.7 4.7 1.0
assign (resid 9 and name hb2)   (resid 12 and name hg1)  4.0 3.0 0.7
assign (resid 9 and name hb2)   (resid 12 and name hg2)  4.0 3.0 0.7
assign (resid 19 and name hb1)  (resid 19 and name hb2)  4.7 4.7 0.0
assign (resid 4 and name ha)    (resid 25 and name hb1)  3.7 3.7 0.0  !
assign (resid 4 and name ha)    (resid 25 and name hb2)  3.3 3.3 0.0  !
assign (resid 4 and name ha)    (resid 4 and name hb1)   3.3 3.3 0.4
assign (resid 4 and name ha)    (resid 4 and name hb2)   3.7 3.7 0.0
assign (resid 4 and name ha)    (resid 4 and name hg1)   3.7 3.7 0.0
assign (resid 4 and name ha)    (resid 4 and name hg2)   3.7 3.7 0.0
assign (resid 4 and name ha)    (resid 5 and name ha*)   4.7 4.7 1.0  !ha2
assign (resid 1 and name hb1)   (resid 1 and name hb2)   2.7 2.7 0.3
assign (resid 25 and name hb1)  (resid 25 and name hb2)  2.7 2.7 0.3
assign (resid 25 and name hb1)  (resid 15 and name hb2)  4.7 4.7 1.0  !hb1=HB1,hb2=HB2
assign (resid 13 and name hb1)  (resid 13 and name hb2)  2.7 2.7 0.0
assign (resid 8 and name hb1)   (resid 8 and name hb2)   2.7 2.7 0.0
assign (resid 8 and name hb2)   (resid 14 and name hb*)  4.7 4.7 1.0  !hb2
assign (resid 8 and name hb1)   (resid 14 and name hb*)  4.7 4.7 1.0  !hb2
assign (resid 16 and name hb1)  (resid 16 and name hb2)  2.7 2.7 0.0
assign (resid 2 and name he1)   (resid 2 and name he2)   2.7 2.7 0.0
assign (resid 2 and name he1)   (resid 2 and name hg1)   4.7 4.7 0.0
assign (resid 2 and name he1)   (resid 2 and name hg2)   4.7 4.7 0.0
assign (resid 2 and name he2)   (resid 2 and name hg1)   3.7 3.0 1.0
assign (resid 2 and name he2)   (resid 2 and name hg2)   3.7 3.0 1.0
assign (resid 20 and name hb1)  (resid 20 and name hb2)  2.7 2.7 0.0
assign (resid 15 and name hb1)  (resid 15 and name hb2)  2.7 2.7 0.0
assign (resid 14 and name hb1)  (resid 14 and name hb2)  2.7 2.7 0.0
assign (resid 10 and name hd*)  (resid 10 and name hb*)  3.7 3.7 1.2
assign (resid 10 and name hd*)  (resid 10 and name hg*)  3.3 3.3 1.2
assign (resid 21 and name hd*)  (resid 21 and name hb1)  3.7 3.7 0.6
assign (resid 21 and name hd*)  (resid 21 and name hb2)  3.7 3.7 0.6
assign (resid 21 and name hd*)  (resid 21 and name hg1)  3.3 3.3 0.6
assign (resid 21 and name hd*)  (resid 21 and name hg2)  3.3 3.3 0.6
assign (resid 2 and name he*)   (resid 2 and name hd1)   3.3 3.3 1.0
assign (resid 2 and name he*)   (resid 2 and name hd2)   3.7 3.7 0.6
assign (resid 7 and name he*)   (resid 7 and name hg*)   3.3 3.3 1.2
assign (resid 12 and name hg1)  (resid 12 and name hg2)  2.7 2.7 0.0
assign (resid 12 and name hg1)  (resid 12 and name hb*)  3.3 3.3 0.6
assign (resid 12 and name hg2)  (resid 12 and name hb*)  3.3 3.3 0.6
!assign (resid 12 and name hg1)  (resid 10 and name hb*)  4.7 4.7 1.0  !no
!assign (resid 12 and name hg2)  (resid 10 and name hb*)  4.7 4.7 1.0  !no
assign (resid 11 and name hb*)  (resid 11 and name hd1*) 3.0 3.0 2.5
assign (resid 11 and name hb*)  (resid 11 and name hd2*) 3.3 3.3 2.2
assign (resid 24 and name hg2)  (resid 24 and name hg1)  2.7 2.7 0.0
assign (resid 24 and name hg*)  (resid 24 and name hb2)  4.0 4.0 1.0  !
assign (resid 24 and name hg*)  (resid 24 and name hb1)  3.0 3.0 1.0  !
assign (resid 24 and name hg*)  (resid 24 and name hd*)  3.3 3.3 1.2
assign (resid 7 and name hg1)   (resid 7 and name hg2)   2.7 2.7 0.0
                                                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1           HT1      CYS   1  11.594   1.077  -4.642
    2   2H    CYS   1           HT2      CYS   1  11.535   2.766  -4.473
    3   3H    CYS   1           HT3      CYS   1  10.473   1.978  -5.539
    4    HA   CYS   1           HA       CYS   1   9.427   0.839  -3.653
    5   1HB   CYS   1           HB2      CYS   1  10.021   1.377  -1.425
    6   2HB   CYS   1           HB1      CYS   1  11.559   1.094  -2.239
    7    H    LYS   2           HN       LYS   2   7.788   2.064  -2.250
    8    HA   LYS   2           HA       LYS   2   7.272   4.733  -3.475
    9   1HB   LYS   2           HB2      LYS   2   5.424   2.434  -2.881
   10   2HB   LYS   2           HB1      LYS   2   4.805   4.078  -3.025
   11   1HG   LYS   2           HG2      LYS   2   6.645   3.045  -5.150
   12   2HG   LYS   2           HG1      LYS   2   4.967   2.512  -5.148
   13   1HD   LYS   2           HD2      LYS   2   5.587   5.436  -4.868
   14   2HD   LYS   2           HD1      LYS   2   5.624   4.687  -6.465
   15   1HE   LYS   2           HE2      LYS   2   3.268   4.231  -4.654
   16   2HE   LYS   2           HE1      LYS   2   3.378   5.718  -5.597
   17   1HZ   LYS   2           HZ1      LYS   2   3.986   3.899  -7.443
   18   2HZ   LYS   2           HZ2      LYS   2   2.407   4.459  -7.162
   19   3HZ   LYS   2           HZ3      LYS   2   2.925   2.993  -6.479
   20    H    GLY   3           HN       GLY   3   5.734   6.068  -2.091
   21   1HA   GLY   3           HA2      GLY   3   6.539   5.769   0.770
   22   2HA   GLY   3           HA1      GLY   3   6.073   7.293   0.011
   23    H    LYS   4           HN       LYS   4   4.896   6.012   2.412
   24    HA   LYS   4           HA       LYS   4   2.512   4.679   2.052
   25   1HB   LYS   4           HB2      LYS   4   3.674   6.344   4.065
   26   2HB   LYS   4           HB1      LYS   4   1.967   6.730   3.918
   27   1HG   LYS   4           HG2      LYS   4   1.481   4.278   4.006
   28   2HG   LYS   4           HG1      LYS   4   3.178   3.997   4.361
   29   1HD   LYS   4           HD2      LYS   4   2.078   4.061   6.483
   30   2HD   LYS   4           HD1      LYS   4   2.900   5.613   6.319
   31   1HE   LYS   4           HE2      LYS   4   0.247   5.714   5.144
   32   2HE   LYS   4           HE1      LYS   4   0.172   5.216   6.834
   33   1HZ   LYS   4           HZ1      LYS   4   1.839   7.155   7.151
   34   2HZ   LYS   4           HZ2      LYS   4   0.179   7.488   7.010
   35   3HZ   LYS   4           HZ3      LYS   4   1.209   7.712   5.678
   36    H    GLY   5           HN       GLY   5   0.358   5.342   1.776
   37   1HA   GLY   5           HA2      GLY   5  -1.408   6.704   0.987
   38   2HA   GLY   5           HA1      GLY   5  -0.297   8.070   0.973
   39    H    ALA   6           HN       ALA   6   1.576   6.220  -0.724
   40    HA   ALA   6           HA       ALA   6   0.601   7.212  -3.278
   41   1HB   ALA   6           HB1      ALA   6   2.841   5.236  -3.067
   42   2HB   ALA   6           HB2      ALA   6   3.070   6.858  -2.414
   43   3HB   ALA   6           HB3      ALA   6   2.686   6.642  -4.121
   44    H    LYS   7           HN       LYS   7  -1.341   5.468  -2.305
   45    HA   LYS   7           HA       LYS   7  -2.566   3.577  -2.872
   46   1HB   LYS   7           HB2      LYS   7  -1.630   4.800  -5.224
   47   2HB   LYS   7           HB1      LYS   7  -1.424   3.060  -5.456
   48   1HG   LYS   7           HG2      LYS   7  -3.883   3.316  -4.161
   49   2HG   LYS   7           HG1      LYS   7  -3.870   4.612  -5.345
   50   1HD   LYS   7           HD2      LYS   7  -3.945   3.180  -7.115
   51   2HD   LYS   7           HD1      LYS   7  -2.848   2.032  -6.347
   52   1HE   LYS   7           HE2      LYS   7  -4.687   0.743  -6.048
   53   2HE   LYS   7           HE1      LYS   7  -5.093   1.866  -4.750
   54   1HZ   LYS   7           HZ1      LYS   7  -6.932   1.633  -6.278
   55   2HZ   LYS   7           HZ2      LYS   7  -5.948   2.089  -7.586
   56   3HZ   LYS   7           HZ3      LYS   7  -6.311   3.209  -6.361
   57    H    CYS   8           HN       CYS   8  -2.406   1.240  -3.470
   58    HA   CYS   8           HA       CYS   8   0.249   0.042  -3.623
   59   1HB   CYS   8           HB2      CYS   8   0.399  -0.945  -1.502
   60   2HB   CYS   8           HB1      CYS   8  -0.192   0.668  -1.128
   61    H    SER   9           HN       SER   9   0.004  -2.447  -3.495
   62    HA   SER   9           HA       SER   9  -2.493  -3.168  -4.935
   63   1HB   SER   9           HB2      SER   9  -0.606  -3.871  -6.177
   64   2HB   SER   9           HB1      SER   9   0.239  -4.420  -4.733
   65    HG   SER   9           HG       SER   9  -0.940  -5.994  -6.224
   66    H    ARG  10           HN       ARG  10  -0.487  -5.355  -3.119
   67    HA   ARG  10           HA       ARG  10  -2.380  -5.554  -0.891
   68   1HB   ARG  10           HB2      ARG  10  -2.170  -7.673  -3.030
   69   2HB   ARG  10           HB1      ARG  10  -2.619  -8.098  -1.379
   70   1HG   ARG  10           HG2      ARG  10  -4.056  -6.166  -3.219
   71   2HG   ARG  10           HG1      ARG  10  -4.657  -7.713  -2.624
   72   1HD   ARG  10           HD2      ARG  10  -4.243  -5.146  -1.100
   73   2HD   ARG  10           HD1      ARG  10  -5.693  -6.144  -1.203
   74    HE   ARG  10           HE       ARG  10  -3.839  -7.808   0.002
   75   1HH1  ARG  10          HH21      ARG  10  -5.057  -4.621   0.545
   76   2HH1  ARG  10          HH22      ARG  10  -4.848  -4.696   2.262
   77   1HH2  ARG  10          HH11      ARG  10  -3.563  -7.915   2.240
   78   2HH2  ARG  10          HH12      ARG  10  -4.003  -6.557   3.221
   79    H    LEU  11           HN       LEU  11   0.425  -6.894  -2.594
   80    HA   LEU  11           HA       LEU  11   2.005  -6.850  -0.169
   81   1HB   LEU  11           HB2      LEU  11   0.683  -9.367  -1.016
   82   2HB   LEU  11           HB1      LEU  11   2.396  -9.498  -0.611
   83    HG   LEU  11           HG       LEU  11   1.182  -7.826   1.347
   84   1HD1  LEU  11          HD11      LEU  11  -0.925  -8.622   1.482
   85   2HD1  LEU  11          HD12      LEU  11  -0.217 -10.133   2.055
   86   3HD1  LEU  11          HD13      LEU  11  -0.578  -9.922   0.342
   87   1HD2  LEU  11          HD21      LEU  11   1.856  -9.752   2.836
   88   2HD2  LEU  11          HD22      LEU  11   3.140  -9.189   1.766
   89   3HD2  LEU  11          HD23      LEU  11   2.253 -10.663   1.379
   90    H    MET  12           HN       MET  12   2.306  -5.731  -2.743
   91    HA   MET  12           HA       MET  12   4.179  -7.409  -4.258
   92   1HB   MET  12           HB2      MET  12   3.269  -4.535  -4.570
   93   2HB   MET  12           HB1      MET  12   4.425  -5.311  -5.652
   94   1HG   MET  12           HG2      MET  12   2.813  -6.928  -6.366
   95   2HG   MET  12           HG1      MET  12   1.691  -6.474  -5.083
   96   1HE   MET  12           HE1      MET  12   2.941  -3.769  -8.587
   97   2HE   MET  12           HE2      MET  12   3.621  -5.347  -8.201
   98   3HE   MET  12           HE3      MET  12   3.909  -3.984  -7.122
   99    H    TYR  13           HN       TYR  13   4.348  -5.227  -1.626
  100    HA   TYR  13           HA       TYR  13   6.232  -4.594  -0.357
  101   1HB   TYR  13           HB2      TYR  13   8.001  -5.807  -2.478
  102   2HB   TYR  13           HB1      TYR  13   8.321  -5.622  -0.753
  103    HD1  TYR  13           HD1      TYR  13   6.426  -6.768   0.794
  104    HD2  TYR  13           HD2      TYR  13   7.437  -7.934  -3.214
  105    HE1  TYR  13           HE1      TYR  13   5.487  -9.024   1.214
  106    HE2  TYR  13           HE2      TYR  13   6.499 -10.190  -2.796
  107    HH   TYR  13           HH       TYR  13   4.476 -10.989  -0.755
  108    H    ASP  14           HN       ASP  14   5.060  -2.742  -1.987
  109    HA   ASP  14           HA       ASP  14   7.260  -1.442  -3.510
  110   1HB   ASP  14           HB2      ASP  14   4.275  -0.951  -3.362
  111   2HB   ASP  14           HB1      ASP  14   5.382   0.144  -4.192
  112    H    CYS  15           HN       CYS  15   5.034  -0.912  -0.811
  113    HA   CYS  15           HA       CYS  15   5.717   1.775  -0.198
  114   1HB   CYS  15           HB2      CYS  15   5.242  -0.316   1.929
  115   2HB   CYS  15           HB1      CYS  15   4.810   1.395   1.947
  116    H    CYS  16           HN       CYS  16   7.506   2.645   0.303
  117    HA   CYS  16           HA       CYS  16   9.958   1.253   0.675
  118   1HB   CYS  16           HB2      CYS  16   9.182   3.833   0.158
  119   2HB   CYS  16           HB1      CYS  16   9.784   3.954   1.801
  120    H    THR  17           HN       THR  17   7.640   2.660   2.967
  121    HA   THR  17           HA       THR  17   9.301   1.622   5.211
  122    HB   THR  17           HB       THR  17   7.834   3.063   6.636
  123    HG1  THR  17           HG1      THR  17   6.915   4.082   4.164
  124   1HG2  THR  17          HG21      THR  17   9.149   4.897   6.249
  125   2HG2  THR  17          HG22      THR  17   8.816   4.899   4.517
  126   3HG2  THR  17          HG23      THR  17   9.997   3.773   5.187
  127    H    GLY  18           HN       GLY  18   5.939   2.181   5.717
  128   1HA   GLY  18           HA2      GLY  18   5.468  -0.437   6.732
  129   2HA   GLY  18           HA1      GLY  18   4.203   0.713   6.295
  130    H    SER  19           HN       SER  19   2.849  -0.723   5.185
  131    HA   SER  19           HA       SER  19   3.839  -1.559   2.524
  132   1HB   SER  19           HB2      SER  19   4.192  -3.485   4.130
  133   2HB   SER  19           HB1      SER  19   2.446  -3.523   4.364
  134    HG   SER  19           HG       SER  19   3.650  -4.819   2.571
  135    H    CYS  20           HN       CYS  20   1.578  -3.076   1.806
  136    HA   CYS  20           HA       CYS  20  -0.251  -1.188   0.938
  137   1HB   CYS  20           HB2      CYS  20  -0.133  -4.029   1.031
  138   2HB   CYS  20           HB1      CYS  20  -1.718  -3.567   1.630
  139    H    ARG  21           HN       ARG  21  -1.865  -0.009   1.871
  140    HA   ARG  21           HA       ARG  21  -3.035  -0.894   4.433
  141   1HB   ARG  21           HB2      ARG  21  -1.017   1.031   4.353
  142   2HB   ARG  21           HB1      ARG  21  -2.507   1.957   4.502
  143   1HG   ARG  21           HG2      ARG  21  -2.570  -0.384   6.209
  144   2HG   ARG  21           HG1      ARG  21  -1.157   0.611   6.555
  145   1HD   ARG  21           HD2      ARG  21  -2.700   1.702   7.877
  146   2HD   ARG  21           HD1      ARG  21  -2.956   2.573   6.365
  147    HE   ARG  21           HE       ARG  21  -4.703   0.424   6.206
  148   1HH1  ARG  21          HH21      ARG  21  -4.043   2.952   8.465
  149   2HH1  ARG  21          HH22      ARG  21  -5.673   3.037   9.042
  150   1HH2  ARG  21          HH11      ARG  21  -6.830   0.526   6.951
  151   2HH2  ARG  21          HH12      ARG  21  -7.249   1.665   8.186
  152    H    SER  22           HN       SER  22  -5.177  -0.561   4.360
  153    HA   SER  22           HA       SER  22  -7.261   0.031   3.411
  154   1HB   SER  22           HB2      SER  22  -6.766   1.992   4.809
  155   2HB   SER  22           HB1      SER  22  -5.853   2.718   3.490
  156    HG   SER  22           HG       SER  22  -8.583   2.475   3.869
  157    H    GLY  23           HN       GLY  23  -5.029  -0.661   1.486
  158   1HA   GLY  23           HA2      GLY  23  -5.317  -0.949  -0.898
  159   2HA   GLY  23           HA1      GLY  23  -6.346   0.481  -0.921
  160    H    LYS  24           HN       LYS  24  -4.358   1.950   0.791
  161    HA   LYS  24           HA       LYS  24  -2.495   2.632  -1.422
  162   1HB   LYS  24           HB2      LYS  24  -3.016   4.280   1.057
  163   2HB   LYS  24           HB1      LYS  24  -2.319   4.815  -0.473
  164   1HG   LYS  24           HG2      LYS  24  -4.414   5.477  -1.009
  165   2HG   LYS  24           HG1      LYS  24  -4.757   3.763  -1.249
  166   1HD   LYS  24           HD2      LYS  24  -5.434   3.573   1.125
  167   2HD   LYS  24           HD1      LYS  24  -5.122   5.296   1.344
  168   1HE   LYS  24           HE2      LYS  24  -7.481   5.073   0.950
  169   2HE   LYS  24           HE1      LYS  24  -6.780   5.723  -0.532
  170   1HZ   LYS  24           HZ1      LYS  24  -8.209   3.975  -1.166
  171   2HZ   LYS  24           HZ2      LYS  24  -7.590   2.926   0.018
  172   3HZ   LYS  24           HZ3      LYS  24  -6.634   3.363  -1.316
  173    H    CYS  25           HN       CYS  25  -0.251   3.312  -0.696
  174    HA   CYS  25           HA       CYS  25   0.948   1.181   0.782
  175   1HB   CYS  25           HB2      CYS  25   1.846   3.646  -0.508
  176   2HB   CYS  25           HB1      CYS  25   2.785   3.239   0.923
  Start of MODEL    2
    1   1H    CYS   1           HT1      CYS   1  12.361   1.829  -4.205
    2   2H    CYS   1           HT2      CYS   1  12.009   3.477  -3.990
    3   3H    CYS   1           HT3      CYS   1  11.244   2.597  -5.225
    4    HA   CYS   1           HA       CYS   1  10.145   1.207  -3.548
    5   1HB   CYS   1           HB2      CYS   1  10.293   1.779  -1.228
    6   2HB   CYS   1           HB1      CYS   1  11.951   1.647  -1.816
    7    H    LYS   2           HN       LYS   2   8.244   2.214  -2.156
    8    HA   LYS   2           HA       LYS   2   7.302   4.596  -3.674
    9   1HB   LYS   2           HB2      LYS   2   5.691   2.464  -2.245
   10   2HB   LYS   2           HB1      LYS   2   5.031   3.797  -3.192
   11   1HG   LYS   2           HG2      LYS   2   7.065   2.153  -4.574
   12   2HG   LYS   2           HG1      LYS   2   5.539   1.342  -4.230
   13   1HD   LYS   2           HD2      LYS   2   5.501   4.103  -5.404
   14   2HD   LYS   2           HD1      LYS   2   5.806   2.720  -6.456
   15   1HE   LYS   2           HE2      LYS   2   3.676   1.910  -6.238
   16   2HE   LYS   2           HE1      LYS   2   3.536   2.441  -4.562
   17   1HZ   LYS   2           HZ1      LYS   2   2.302   4.090  -5.359
   18   2HZ   LYS   2           HZ2      LYS   2   2.757   3.780  -6.967
   19   3HZ   LYS   2           HZ3      LYS   2   3.734   4.757  -5.978
   20    H    GLY   3           HN       GLY   3   5.052   4.666  -1.576
   21   1HA   GLY   3           HA2      GLY   3   6.169   5.282   0.973
   22   2HA   GLY   3           HA1      GLY   3   6.077   6.769   0.025
   23    H    LYS   4           HN       LYS   4   4.488   6.430   2.361
   24    HA   LYS   4           HA       LYS   4   1.948   5.384   2.064
   25   1HB   LYS   4           HB2      LYS   4   1.300   6.802   3.791
   26   2HB   LYS   4           HB1      LYS   4   3.031   6.691   4.018
   27   1HG   LYS   4           HG2      LYS   4   2.952   8.770   2.316
   28   2HG   LYS   4           HG1      LYS   4   1.393   8.977   3.101
   29   1HD   LYS   4           HD2      LYS   4   2.463   9.960   4.824
   30   2HD   LYS   4           HD1      LYS   4   3.190   8.394   5.183
   31   1HE   LYS   4           HE2      LYS   4   5.069   9.770   4.900
   32   2HE   LYS   4           HE1      LYS   4   4.894   9.026   3.310
   33   1HZ   LYS   4           HZ1      LYS   4   5.174  11.570   3.492
   34   2HZ   LYS   4           HZ2      LYS   4   3.527  11.565   3.907
   35   3HZ   LYS   4           HZ3      LYS   4   4.031  10.942   2.408
   36    H    GLY   5           HN       GLY   5   0.006   6.179   1.212
   37   1HA   GLY   5           HA2      GLY   5  -1.360   7.652  -0.100
   38   2HA   GLY   5           HA1      GLY   5   0.072   8.631  -0.438
   39    H    ALA   6           HN       ALA   6   1.796   6.541  -1.285
   40    HA   ALA   6           HA       ALA   6   1.006   6.280  -4.038
   41   1HB   ALA   6           HB1      ALA   6   3.001   4.342  -3.120
   42   2HB   ALA   6           HB2      ALA   6   3.372   5.989  -2.608
   43   3HB   ALA   6           HB3      ALA   6   3.159   5.625  -4.320
   44    H    LYS   7           HN       LYS   7  -1.164   5.337  -3.380
   45    HA   LYS   7           HA       LYS   7  -1.824   3.003  -2.217
   46   1HB   LYS   7           HB2      LYS   7  -3.573   2.680  -3.852
   47   2HB   LYS   7           HB1      LYS   7  -3.345   4.417  -3.628
   48   1HG   LYS   7           HG2      LYS   7  -1.509   3.622  -5.623
   49   2HG   LYS   7           HG1      LYS   7  -3.044   2.862  -6.027
   50   1HD   LYS   7           HD2      LYS   7  -2.608   5.809  -5.473
   51   2HD   LYS   7           HD1      LYS   7  -2.946   5.085  -7.045
   52   1HE   LYS   7           HE2      LYS   7  -5.137   5.366  -6.608
   53   2HE   LYS   7           HE1      LYS   7  -4.976   4.128  -5.363
   54   1HZ   LYS   7           HZ1      LYS   7  -3.969   6.398  -4.218
   55   2HZ   LYS   7           HZ2      LYS   7  -5.495   5.713  -3.921
   56   3HZ   LYS   7           HZ3      LYS   7  -5.326   6.945  -5.077
   57    H    CYS   8           HN       CYS   8  -1.909   0.786  -2.763
   58    HA   CYS   8           HA       CYS   8  -0.002  -0.079  -4.887
   59   1HB   CYS   8           HB2      CYS   8   1.421  -0.865  -3.311
   60   2HB   CYS   8           HB1      CYS   8   0.374  -0.228  -2.057
   61    H    SER   9           HN       SER   9  -0.354  -2.783  -4.851
   62    HA   SER   9           HA       SER   9  -3.218  -3.024  -5.510
   63   1HB   SER   9           HB2      SER   9  -0.777  -4.680  -6.063
   64   2HB   SER   9           HB1      SER   9  -2.377  -5.398  -6.221
   65    HG   SER   9           HG       SER   9  -2.659  -3.194  -7.446
   66    H    ARG  10           HN       ARG  10  -0.817  -4.623  -3.487
   67    HA   ARG  10           HA       ARG  10  -2.536  -4.952  -1.261
   68   1HB   ARG  10           HB2      ARG  10  -2.912  -6.923  -3.366
   69   2HB   ARG  10           HB1      ARG  10  -2.389  -7.689  -1.866
   70   1HG   ARG  10           HG2      ARG  10  -4.686  -5.721  -2.082
   71   2HG   ARG  10           HG1      ARG  10  -4.868  -7.473  -2.008
   72   1HD   ARG  10           HD2      ARG  10  -3.376  -5.915   0.109
   73   2HD   ARG  10           HD1      ARG  10  -5.109  -6.223   0.211
   74    HE   ARG  10           HE       ARG  10  -4.013  -8.729  -0.234
   75   1HH1  ARG  10          HH21      ARG  10  -3.529  -6.146   2.008
   76   2HH1  ARG  10          HH22      ARG  10  -3.041  -7.189   3.301
   77   1HH2  ARG  10          HH11      ARG  10  -3.379 -10.098   1.447
   78   2HH2  ARG  10          HH12      ARG  10  -2.956  -9.422   2.985
   79    H    LEU  11           HN       LEU  11  -0.606  -7.681  -2.410
   80    HA   LEU  11           HA       LEU  11   1.245  -7.186  -0.146
   81   1HB   LEU  11           HB2      LEU  11   0.288  -9.534  -1.607
   82   2HB   LEU  11           HB1      LEU  11   2.038  -9.543  -1.386
   83    HG   LEU  11           HG       LEU  11   1.073  -8.681   1.076
   84   1HD1  LEU  11          HD11      LEU  11  -0.490 -11.160   0.519
   85   2HD1  LEU  11          HD12      LEU  11  -1.160  -9.638  -0.068
   86   3HD1  LEU  11          HD13      LEU  11  -0.826  -9.850   1.650
   87   1HD2  LEU  11          HD21      LEU  11   1.505 -11.602   0.640
   88   2HD2  LEU  11          HD22      LEU  11   2.218 -10.530   1.846
   89   3HD2  LEU  11          HD23      LEU  11   2.819 -10.518   0.187
   90    H    MET  12           HN       MET  12   1.232  -5.734  -2.856
   91    HA   MET  12           HA       MET  12   3.479  -6.504  -4.397
   92   1HB   MET  12           HB2      MET  12   1.957  -3.993  -3.959
   93   2HB   MET  12           HB1      MET  12   3.588  -3.802  -4.603
   94   1HG   MET  12           HG2      MET  12   2.243  -5.991  -5.933
   95   2HG   MET  12           HG1      MET  12   1.271  -4.523  -6.041
   96   1HE   MET  12           HE1      MET  12   2.091  -2.251  -7.313
   97   2HE   MET  12           HE2      MET  12   3.821  -1.912  -7.315
   98   3HE   MET  12           HE3      MET  12   3.011  -2.310  -5.803
   99    H    TYR  13           HN       TYR  13   3.277  -4.994  -1.265
  100    HA   TYR  13           HA       TYR  13   4.944  -4.207   0.197
  101   1HB   TYR  13           HB2      TYR  13   6.014  -6.646  -1.146
  102   2HB   TYR  13           HB1      TYR  13   7.153  -5.677  -0.211
  103    HD1  TYR  13           HD1      TYR  13   3.524  -6.526   0.241
  104    HD2  TYR  13           HD2      TYR  13   7.490  -6.625   1.886
  105    HE1  TYR  13           HE1      TYR  13   2.629  -7.497   2.338
  106    HE2  TYR  13           HE2      TYR  13   6.597  -7.596   3.984
  107    HH   TYR  13           HH       TYR  13   4.793  -8.504   4.967
  108    H    ASP  14           HN       ASP  14   4.858  -2.262  -1.469
  109    HA   ASP  14           HA       ASP  14   7.621  -1.915  -2.564
  110   1HB   ASP  14           HB2      ASP  14   4.975  -0.839  -3.566
  111   2HB   ASP  14           HB1      ASP  14   6.536  -0.240  -4.124
  112    H    CYS  15           HN       CYS  15   5.071  -0.611  -0.567
  113    HA   CYS  15           HA       CYS  15   5.887   2.096  -0.354
  114   1HB   CYS  15           HB2      CYS  15   5.057   0.546   2.088
  115   2HB   CYS  15           HB1      CYS  15   4.702   2.217   1.656
  116    H    CYS  16           HN       CYS  16   7.690   2.923   0.142
  117    HA   CYS  16           HA       CYS  16  10.037   1.670   0.908
  118   1HB   CYS  16           HB2      CYS  16   9.181   4.252   0.451
  119   2HB   CYS  16           HB1      CYS  16   9.694   4.298   2.124
  120    H    THR  17           HN       THR  17   7.412   2.835   2.978
  121    HA   THR  17           HA       THR  17   8.899   2.173   5.428
  122    HB   THR  17           HB       THR  17   6.956   3.020   6.600
  123    HG1  THR  17           HG1      THR  17   5.085   3.557   5.400
  124   1HG2  THR  17          HG21      THR  17   8.327   4.783   5.750
  125   2HG2  THR  17          HG22      THR  17   6.664   5.247   5.392
  126   3HG2  THR  17          HG23      THR  17   7.689   4.584   4.119
  127    H    GLY  18           HN       GLY  18   6.089   1.260   6.509
  128   1HA   GLY  18           HA2      GLY  18   6.607  -1.495   6.647
  129   2HA   GLY  18           HA1      GLY  18   5.006  -0.790   6.864
  130    H    SER  19           HN       SER  19   3.490  -1.142   5.276
  131    HA   SER  19           HA       SER  19   4.373  -1.886   2.558
  132   1HB   SER  19           HB2      SER  19   3.204  -4.004   2.537
  133   2HB   SER  19           HB1      SER  19   4.312  -4.012   3.905
  134    HG   SER  19           HG       SER  19   2.613  -3.609   5.266
  135    H    CYS  20           HN       CYS  20   1.815  -2.916   1.769
  136    HA   CYS  20           HA       CYS  20   0.407  -0.449   1.305
  137   1HB   CYS  20           HB2      CYS  20  -0.797  -3.203   1.011
  138   2HB   CYS  20           HB1      CYS  20  -1.135  -1.756   0.064
  139    H    ARG  21           HN       ARG  21  -1.331   0.430   2.392
  140    HA   ARG  21           HA       ARG  21  -2.445  -1.153   4.673
  141   1HB   ARG  21           HB2      ARG  21  -0.935   0.643   5.484
  142   2HB   ARG  21           HB1      ARG  21  -1.912   1.834   4.622
  143   1HG   ARG  21           HG2      ARG  21  -3.755   1.540   6.041
  144   2HG   ARG  21           HG1      ARG  21  -3.208  -0.047   6.580
  145   1HD   ARG  21           HD2      ARG  21  -2.542   1.142   8.423
  146   2HD   ARG  21           HD1      ARG  21  -1.122   1.444   7.423
  147    HE   ARG  21           HE       ARG  21  -2.863   3.488   6.736
  148   1HH1  ARG  21          HH21      ARG  21  -1.522   2.213   9.653
  149   2HH1  ARG  21          HH22      ARG  21  -1.545   3.734  10.479
  150   1HH2  ARG  21          HH11      ARG  21  -2.898   5.476   7.806
  151   2HH2  ARG  21          HH12      ARG  21  -2.321   5.578   9.436
  152    H    SER  22           HN       SER  22  -4.611  -1.412   4.488
  153    HA   SER  22           HA       SER  22  -6.786  -1.166   3.627
  154   1HB   SER  22           HB2      SER  22  -7.713   1.048   3.854
  155   2HB   SER  22           HB1      SER  22  -6.551   0.835   5.160
  156    HG   SER  22           HG       SER  22  -6.045   2.096   2.662
  157    H    GLY  23           HN       GLY  23  -4.375  -1.134   1.741
  158   1HA   GLY  23           HA2      GLY  23  -4.524  -1.341  -0.660
  159   2HA   GLY  23           HA1      GLY  23  -5.919  -0.259  -0.639
  160    H    LYS  24           HN       LYS  24  -4.278   1.481   1.311
  161    HA   LYS  24           HA       LYS  24  -2.853   2.962  -0.828
  162   1HB   LYS  24           HB2      LYS  24  -3.688   3.857   1.939
  163   2HB   LYS  24           HB1      LYS  24  -2.954   4.883   0.706
  164   1HG   LYS  24           HG2      LYS  24  -4.866   4.981  -0.549
  165   2HG   LYS  24           HG1      LYS  24  -5.358   3.346  -0.115
  166   1HD   LYS  24           HD2      LYS  24  -6.897   4.447   1.173
  167   2HD   LYS  24           HD1      LYS  24  -5.551   4.560   2.307
  168   1HE   LYS  24           HE2      LYS  24  -5.292   6.684   0.409
  169   2HE   LYS  24           HE1      LYS  24  -6.947   6.692   1.021
  170   1HZ   LYS  24           HZ1      LYS  24  -6.220   6.922   3.202
  171   2HZ   LYS  24           HZ2      LYS  24  -5.190   7.958   2.334
  172   3HZ   LYS  24           HZ3      LYS  24  -4.637   6.434   2.841
  173    H    CYS  25           HN       CYS  25  -0.631   3.406  -0.651
  174    HA   CYS  25           HA       CYS  25   0.990   1.638   0.868
  175   1HB   CYS  25           HB2      CYS  25   1.418   3.955  -0.846
  176   2HB   CYS  25           HB1      CYS  25   2.541   3.947   0.510
  Start of MODEL    3
    1   2H    CYS   1           HT2      CYS   1  11.880   1.546  -4.708
    2   3H    CYS   1           HT3      CYS   1  11.514   3.205  -4.693
    3    HA   CYS   1           HA       CYS   1   9.661   1.054  -3.820
    4   1HB   CYS   1           HB2      CYS   1  10.178   1.649  -1.585
    5   2HB   CYS   1           HB1      CYS   1  11.740   1.460  -2.383
    6    H    LYS   2           HN       LYS   2   7.888   2.120  -2.457
    7    HA   LYS   2           HA       LYS   2   7.132   4.681  -3.776
    8   1HB   LYS   2           HB2      LYS   2   5.469   2.381  -2.751
    9   2HB   LYS   2           HB1      LYS   2   4.766   3.955  -3.122
   10   1HG   LYS   2           HG2      LYS   2   6.474   2.454  -5.109
   11   2HG   LYS   2           HG1      LYS   2   4.731   2.225  -5.003
   12   1HD   LYS   2           HD2      LYS   2   4.268   4.434  -5.657
   13   2HD   LYS   2           HD1      LYS   2   5.888   4.993  -5.237
   14   1HE   LYS   2           HE2      LYS   2   5.677   2.882  -7.333
   15   2HE   LYS   2           HE1      LYS   2   5.176   4.514  -7.776
   16   1HZ   LYS   2           HZ1      LYS   2   7.297   5.358  -7.090
   17   2HZ   LYS   2           HZ2      LYS   2   7.546   4.086  -8.190
   18   3HZ   LYS   2           HZ3      LYS   2   7.780   3.833  -6.526
   19    H    GLY   3           HN       GLY   3   5.702   6.099  -2.416
   20   1HA   GLY   3           HA2      GLY   3   6.763   6.163   0.366
   21   2HA   GLY   3           HA1      GLY   3   6.047   7.534  -0.484
   22    H    LYS   4           HN       LYS   4   5.162   6.805   2.095
   23    HA   LYS   4           HA       LYS   4   3.011   5.045   2.273
   24   1HB   LYS   4           HB2      LYS   4   4.016   7.315   3.749
   25   2HB   LYS   4           HB1      LYS   4   2.259   7.288   3.763
   26   1HG   LYS   4           HG2      LYS   4   2.319   4.920   4.458
   27   2HG   LYS   4           HG1      LYS   4   4.073   4.984   4.496
   28   1HD   LYS   4           HD2      LYS   4   4.126   6.192   6.441
   29   2HD   LYS   4           HD1      LYS   4   2.671   7.101   6.031
   30   1HE   LYS   4           HE2      LYS   4   1.378   5.699   7.228
   31   2HE   LYS   4           HE1      LYS   4   2.047   4.294   6.394
   32   1HZ   LYS   4           HZ1      LYS   4   3.009   5.622   8.844
   33   2HZ   LYS   4           HZ2      LYS   4   4.067   4.688   7.898
   34   3HZ   LYS   4           HZ3      LYS   4   2.682   3.979   8.583
   35    H    GLY   5           HN       GLY   5   0.748   5.397   2.153
   36   1HA   GLY   5           HA2      GLY   5  -1.211   6.087   1.058
   37   2HA   GLY   5           HA1      GLY   5  -0.529   7.711   1.106
   38    H    ALA   6           HN       ALA   6   1.577   5.602  -0.506
   39    HA   ALA   6           HA       ALA   6   0.974   6.878  -3.059
   40   1HB   ALA   6           HB1      ALA   6   2.935   5.677  -3.882
   41   2HB   ALA   6           HB2      ALA   6   2.965   4.685  -2.424
   42   3HB   ALA   6           HB3      ALA   6   3.306   6.413  -2.323
   43    H    LYS   7           HN       LYS   7  -0.865   4.762  -1.726
   44    HA   LYS   7           HA       LYS   7  -2.233   3.037  -2.433
   45   1HB   LYS   7           HB2      LYS   7  -1.972   4.850  -4.559
   46   2HB   LYS   7           HB1      LYS   7  -1.814   3.238  -5.272
   47   1HG   LYS   7           HG2      LYS   7  -3.820   2.914  -3.403
   48   2HG   LYS   7           HG1      LYS   7  -4.148   4.504  -4.065
   49   1HD   LYS   7           HD2      LYS   7  -3.428   2.639  -6.171
   50   2HD   LYS   7           HD1      LYS   7  -4.812   2.054  -5.248
   51   1HE   LYS   7           HE2      LYS   7  -4.569   4.811  -6.488
   52   2HE   LYS   7           HE1      LYS   7  -5.540   3.484  -7.126
   53   1HZ   LYS   7           HZ1      LYS   7  -7.101   4.551  -5.895
   54   2HZ   LYS   7           HZ2      LYS   7  -5.983   5.148  -4.763
   55   3HZ   LYS   7           HZ3      LYS   7  -6.484   3.527  -4.690
   56    H    CYS   8           HN       CYS   8  -2.225   0.898  -3.271
   57    HA   CYS   8           HA       CYS   8   0.203  -0.110  -4.574
   58   1HB   CYS   8           HB2      CYS   8   1.319  -0.720  -2.702
   59   2HB   CYS   8           HB1      CYS   8   0.022  -0.086  -1.705
   60    H    SER   9           HN       SER   9  -0.088  -2.732  -4.575
   61    HA   SER   9           HA       SER   9  -2.850  -3.136  -5.540
   62   1HB   SER   9           HB2      SER   9  -0.783  -3.874  -6.854
   63   2HB   SER   9           HB1      SER   9  -0.578  -5.125  -5.632
   64    HG   SER   9           HG       SER   9  -2.444  -6.053  -6.258
   65    H    ARG  10           HN       ARG  10  -0.568  -4.552  -3.271
   66    HA   ARG  10           HA       ARG  10  -2.459  -5.039  -1.231
   67   1HB   ARG  10           HB2      ARG  10  -2.600  -6.940  -3.391
   68   2HB   ARG  10           HB1      ARG  10  -2.031  -7.756  -1.934
   69   1HG   ARG  10           HG2      ARG  10  -3.939  -6.988  -0.672
   70   2HG   ARG  10           HG1      ARG  10  -4.457  -5.943  -1.995
   71   1HD   ARG  10           HD2      ARG  10  -4.253  -8.423  -3.201
   72   2HD   ARG  10           HD1      ARG  10  -4.891  -8.818  -1.609
   73    HE   ARG  10           HE       ARG  10  -6.397  -7.709  -3.733
   74   1HH1  ARG  10          HH21      ARG  10  -5.777  -7.094  -0.379
   75   2HH1  ARG  10          HH22      ARG  10  -7.174  -6.095  -0.186
   76   1HH2  ARG  10          HH11      ARG  10  -8.223  -6.435  -3.466
   77   2HH2  ARG  10          HH12      ARG  10  -8.560  -5.732  -1.920
   78    H    LEU  11           HN       LEU  11  -0.210  -7.554  -2.326
   79    HA   LEU  11           HA       LEU  11   1.514  -6.838   0.013
   80   1HB   LEU  11           HB2      LEU  11   0.662  -9.452  -1.173
   81   2HB   LEU  11           HB1      LEU  11   2.248  -9.356  -0.407
   82    HG   LEU  11           HG       LEU  11   0.698  -8.060   1.433
   83   1HD1  LEU  11          HD11      LEU  11  -1.385  -9.204   1.706
   84   2HD1  LEU  11          HD12      LEU  11  -0.973 -10.390   0.467
   85   3HD1  LEU  11          HD13      LEU  11  -1.315  -8.720   0.011
   86   1HD2  LEU  11          HD21      LEU  11   1.639 -10.885   1.091
   87   2HD2  LEU  11          HD22      LEU  11   0.600 -10.506   2.465
   88   3HD2  LEU  11          HD23      LEU  11   2.142  -9.674   2.269
   89    H    MET  12           HN       MET  12   1.624  -5.900  -2.887
   90    HA   MET  12           HA       MET  12   3.834  -7.138  -4.200
   91   1HB   MET  12           HB2      MET  12   2.593  -4.399  -4.321
   92   2HB   MET  12           HB1      MET  12   4.083  -4.730  -5.203
   93   1HG   MET  12           HG2      MET  12   1.508  -6.312  -5.462
   94   2HG   MET  12           HG1      MET  12   2.097  -5.123  -6.624
   95   1HE   MET  12           HE1      MET  12   5.343  -5.736  -6.894
   96   2HE   MET  12           HE2      MET  12   3.999  -5.132  -7.856
   97   3HE   MET  12           HE3      MET  12   4.925  -6.518  -8.423
   98    H    TYR  13           HN       TYR  13   3.688  -5.204  -1.376
   99    HA   TYR  13           HA       TYR  13   5.368  -4.340   0.012
  100   1HB   TYR  13           HB2      TYR  13   6.883  -6.409  -1.587
  101   2HB   TYR  13           HB1      TYR  13   7.667  -5.446  -0.336
  102    HD1  TYR  13           HD1      TYR  13   6.364  -8.543  -0.827
  103    HD2  TYR  13           HD2      TYR  13   5.862  -5.198   1.817
  104    HE1  TYR  13           HE1      TYR  13   5.450 -10.056   0.911
  105    HE2  TYR  13           HE2      TYR  13   4.948  -6.708   3.555
  106    HH   TYR  13           HH       TYR  13   3.842  -8.915   3.677
  107    H    ASP  14           HN       ASP  14   4.803  -2.465  -1.704
  108    HA   ASP  14           HA       ASP  14   7.324  -1.711  -3.115
  109   1HB   ASP  14           HB2      ASP  14   4.475  -0.731  -3.447
  110   2HB   ASP  14           HB1      ASP  14   5.861  -0.038  -4.291
  111    H    CYS  15           HN       CYS  15   5.126  -0.803  -0.555
  112    HA   CYS  15           HA       CYS  15   5.842   1.926  -0.212
  113   1HB   CYS  15           HB2      CYS  15   5.436   0.063   2.125
  114   2HB   CYS  15           HB1      CYS  15   5.000   1.766   1.980
  115    H    CYS  16           HN       CYS  16   7.662   2.815   0.129
  116    HA   CYS  16           HA       CYS  16  10.132   1.535   0.441
  117   1HB   CYS  16           HB2      CYS  16   9.256   4.105   0.092
  118   2HB   CYS  16           HB1      CYS  16   9.909   4.167   1.719
  119    H    THR  17           HN       THR  17   7.976   2.875   2.951
  120    HA   THR  17           HA       THR  17   9.383   1.150   4.926
  121    HB   THR  17           HB       THR  17  10.363   3.390   5.164
  122    HG1  THR  17           HG1      THR  17  10.267   3.085   7.222
  123   1HG2  THR  17          HG21      THR  17   8.084   4.396   4.246
  124   2HG2  THR  17          HG22      THR  17   9.125   5.339   5.312
  125   3HG2  THR  17          HG23      THR  17   7.710   4.514   5.966
  126    H    GLY  18           HN       GLY  18   7.487  -0.188   4.843
  127   1HA   GLY  18           HA2      GLY  18   5.625  -0.248   6.705
  128   2HA   GLY  18           HA1      GLY  18   4.950   1.071   5.746
  129    H    SER  19           HN       SER  19   3.089  -0.447   5.484
  130    HA   SER  19           HA       SER  19   3.587  -2.274   3.173
  131   1HB   SER  19           HB2      SER  19   2.281  -3.995   4.111
  132   2HB   SER  19           HB1      SER  19   3.225  -3.420   5.483
  133    HG   SER  19           HG       SER  19   0.937  -3.627   5.892
  134    H    CYS  20           HN       CYS  20   0.937  -3.017   2.726
  135    HA   CYS  20           HA       CYS  20  -0.173  -0.440   1.777
  136   1HB   CYS  20           HB2      CYS  20  -1.262  -3.221   1.279
  137   2HB   CYS  20           HB1      CYS  20  -1.587  -1.758   0.351
  138    H    ARG  21           HN       ARG  21  -2.044   0.446   2.596
  139    HA   ARG  21           HA       ARG  21  -3.538  -1.158   4.627
  140   1HB   ARG  21           HB2      ARG  21  -2.675   1.724   4.701
  141   2HB   ARG  21           HB1      ARG  21  -4.010   1.138   5.687
  142   1HG   ARG  21           HG2      ARG  21  -2.635  -0.292   6.938
  143   2HG   ARG  21           HG1      ARG  21  -1.369  -0.298   5.710
  144   1HD   ARG  21           HD2      ARG  21  -2.111   1.973   7.571
  145   2HD   ARG  21           HD1      ARG  21  -0.587   1.087   7.516
  146    HE   ARG  21           HE       ARG  21  -0.808   2.160   4.976
  147   1HH1  ARG  21          HH21      ARG  21  -0.977   3.361   8.210
  148   2HH1  ARG  21          HH22      ARG  21  -0.345   4.919   7.802
  149   1HH2  ARG  21          HH11      ARG  21   0.017   4.189   4.433
  150   2HH2  ARG  21          HH12      ARG  21   0.217   5.388   5.666
  151    H    SER  22           HN       SER  22  -5.368  -1.641   3.565
  152    HA   SER  22           HA       SER  22  -7.431  -1.327   2.481
  153   1HB   SER  22           HB2      SER  22  -7.186   0.836   4.107
  154   2HB   SER  22           HB1      SER  22  -7.236   1.633   2.537
  155    HG   SER  22           HG       SER  22  -9.257   0.716   3.900
  156    H    GLY  23           HN       GLY  23  -4.572  -0.791   1.211
  157   1HA   GLY  23           HA2      GLY  23  -4.383  -0.995  -1.260
  158   2HA   GLY  23           HA1      GLY  23  -5.686   0.188  -1.388
  159    H    LYS  24           HN       LYS  24  -4.269   1.543   1.024
  160    HA   LYS  24           HA       LYS  24  -2.525   3.244  -0.653
  161   1HB   LYS  24           HB2      LYS  24  -3.552   3.609   2.176
  162   2HB   LYS  24           HB1      LYS  24  -2.599   4.795   1.283
  163   1HG   LYS  24           HG2      LYS  24  -4.352   5.399  -0.055
  164   2HG   LYS  24           HG1      LYS  24  -5.006   3.761  -0.110
  165   1HD   LYS  24           HD2      LYS  24  -6.552   4.408   1.394
  166   2HD   LYS  24           HD1      LYS  24  -5.250   4.568   2.575
  167   1HE   LYS  24           HE2      LYS  24  -5.428   6.813   2.552
  168   2HE   LYS  24           HE1      LYS  24  -5.275   6.851   0.796
  169   1HZ   LYS  24           HZ1      LYS  24  -7.693   6.092   0.800
  170   2HZ   LYS  24           HZ2      LYS  24  -7.378   7.712   1.207
  171   3HZ   LYS  24           HZ3      LYS  24  -7.723   6.579   2.425
  172   1H    CYS  25           H1       CYS  25   2.814   2.005   2.905
  173    H    CYS  25           HN       CYS  25  -0.321   3.584  -0.154
  174    HA   CYS  25           HA       CYS  25   1.041   1.374   1.103
  175   1HB   CYS  25           HB2      CYS  25   1.758   3.756  -0.390
  176   2HB   CYS  25           HB1      CYS  25   2.840   3.529   0.985
  Start of MODEL    4
    1   2H    CYS   1           HT2      CYS   1  10.833   3.434  -5.094
    2   3H    CYS   1           HT3      CYS   1  11.692   1.988  -4.853
    3    HA   CYS   1           HA       CYS   1   9.881   1.427  -3.648
    4   1HB   CYS   1           HB2      CYS   1  10.235   1.843  -1.316
    5   2HB   CYS   1           HB1      CYS   1  11.828   1.694  -2.061
    6    H    LYS   2           HN       LYS   2   7.884   2.057  -2.590
    7    HA   LYS   2           HA       LYS   2   7.014   4.742  -3.463
    8   1HB   LYS   2           HB2      LYS   2   5.587   2.198  -2.717
    9   2HB   LYS   2           HB1      LYS   2   4.718   3.733  -2.776
   10   1HG   LYS   2           HG2      LYS   2   4.571   2.539  -4.930
   11   2HG   LYS   2           HG1      LYS   2   5.438   4.064  -5.102
   12   1HD   LYS   2           HD2      LYS   2   7.563   2.947  -5.127
   13   2HD   LYS   2           HD1      LYS   2   6.828   1.413  -4.658
   14   1HE   LYS   2           HE2      LYS   2   5.442   1.610  -6.817
   15   2HE   LYS   2           HE1      LYS   2   6.579   2.871  -7.292
   16   1HZ   LYS   2           HZ1      LYS   2   7.526   0.233  -6.369
   17   2HZ   LYS   2           HZ2      LYS   2   8.344   1.388  -7.310
   18   3HZ   LYS   2           HZ3      LYS   2   7.078   0.480  -7.986
   19    H    GLY   3           HN       GLY   3   5.458   5.870  -1.929
   20   1HA   GLY   3           HA2      GLY   3   6.284   5.440   0.916
   21   2HA   GLY   3           HA1      GLY   3   6.143   7.060   0.222
   22    H    LYS   4           HN       LYS   4   4.555   6.560   2.420
   23    HA   LYS   4           HA       LYS   4   2.073   5.376   2.038
   24   1HB   LYS   4           HB2      LYS   4   1.336   6.651   3.839
   25   2HB   LYS   4           HB1      LYS   4   3.067   6.628   4.080
   26   1HG   LYS   4           HG2      LYS   4   2.914   8.790   2.518
   27   2HG   LYS   4           HG1      LYS   4   1.310   8.862   3.233
   28   1HD   LYS   4           HD2      LYS   4   2.985   8.287   5.392
   29   2HD   LYS   4           HD1      LYS   4   3.883   9.476   4.447
   30   1HE   LYS   4           HE2      LYS   4   1.028   9.763   5.427
   31   2HE   LYS   4           HE1      LYS   4   2.435  10.626   6.051
   32   1HZ   LYS   4           HZ1      LYS   4   0.892  11.109   3.671
   33   2HZ   LYS   4           HZ2      LYS   4   2.570  11.105   3.400
   34   3HZ   LYS   4           HZ3      LYS   4   1.892  12.161   4.545
   35    H    GLY   5           HN       GLY   5   0.130   6.093   1.158
   36   1HA   GLY   5           HA2      GLY   5  -1.295   7.631  -0.036
   37   2HA   GLY   5           HA1      GLY   5   0.119   8.644  -0.354
   38    H    ALA   6           HN       ALA   6   1.783   6.368  -1.151
   39    HA   ALA   6           HA       ALA   6   1.063   6.285  -3.955
   40   1HB   ALA   6           HB1      ALA   6   3.172   4.842  -2.326
   41   2HB   ALA   6           HB2      ALA   6   3.408   6.213  -3.411
   42   3HB   ALA   6           HB3      ALA   6   2.990   4.630  -4.067
   43    H    LYS   7           HN       LYS   7  -1.123   5.397  -3.513
   44    HA   LYS   7           HA       LYS   7  -2.023   3.134  -2.414
   45   1HB   LYS   7           HB2      LYS   7  -3.598   2.876  -4.207
   46   2HB   LYS   7           HB1      LYS   7  -3.246   4.600  -4.079
   47   1HG   LYS   7           HG2      LYS   7  -1.264   3.621  -5.775
   48   2HG   LYS   7           HG1      LYS   7  -2.722   2.779  -6.278
   49   1HD   LYS   7           HD2      LYS   7  -3.368   5.531  -5.772
   50   2HD   LYS   7           HD1      LYS   7  -1.993   5.450  -6.874
   51   1HE   LYS   7           HE2      LYS   7  -3.709   3.447  -7.783
   52   2HE   LYS   7           HE1      LYS   7  -4.786   4.777  -7.362
   53   1HZ   LYS   7           HZ1      LYS   7  -3.531   4.616  -9.685
   54   2HZ   LYS   7           HZ2      LYS   7  -2.362   5.481  -8.807
   55   3HZ   LYS   7           HZ3      LYS   7  -3.939   6.095  -8.963
   56    H    CYS   8           HN       CYS   8  -2.093   0.850  -2.920
   57    HA   CYS   8           HA       CYS   8  -0.077  -0.077  -4.902
   58   1HB   CYS   8           HB2      CYS   8   1.325  -0.785  -3.267
   59   2HB   CYS   8           HB1      CYS   8   0.232  -0.172  -2.046
   60    H    SER   9           HN       SER   9  -0.406  -2.739  -4.855
   61    HA   SER   9           HA       SER   9  -3.268  -3.060  -5.507
   62   1HB   SER   9           HB2      SER   9  -0.748  -4.501  -6.143
   63   2HB   SER   9           HB1      SER   9  -2.229  -5.452  -6.103
   64    HG   SER   9           HG       SER   9  -1.539  -3.256  -7.733
   65    H    ARG  10           HN       ARG  10  -0.864  -5.022  -3.833
   66    HA   ARG  10           HA       ARG  10  -2.039  -5.259  -1.335
   67   1HB   ARG  10           HB2      ARG  10  -3.725  -6.469  -3.299
   68   2HB   ARG  10           HB1      ARG  10  -3.026  -7.762  -2.326
   69   1HG   ARG  10           HG2      ARG  10  -4.150  -7.136  -0.451
   70   2HG   ARG  10           HG1      ARG  10  -3.933  -5.416  -0.778
   71   1HD   ARG  10           HD2      ARG  10  -5.733  -6.893  -2.627
   72   2HD   ARG  10           HD1      ARG  10  -6.326  -6.648  -0.985
   73    HE   ARG  10           HE       ARG  10  -5.407  -4.145  -1.732
   74   1HH1  ARG  10          HH21      ARG  10  -7.563  -6.508  -3.039
   75   2HH1  ARG  10          HH22      ARG  10  -8.573  -5.339  -3.821
   76   1HH2  ARG  10          HH11      ARG  10  -6.719  -2.615  -2.747
   77   2HH2  ARG  10          HH12      ARG  10  -8.095  -3.137  -3.656
   78    H    LEU  11           HN       LEU  11  -0.013  -5.732  -0.596
   79    HA   LEU  11           HA       LEU  11   1.708  -7.209   0.069
   80   1HB   LEU  11           HB2      LEU  11  -0.250  -8.940  -0.990
   81   2HB   LEU  11           HB1      LEU  11   1.258  -9.387  -1.785
   82    HG   LEU  11           HG       LEU  11   1.869  -8.919   0.950
   83   1HD1  LEU  11          HD11      LEU  11   0.200 -11.092   1.447
   84   2HD1  LEU  11          HD12      LEU  11  -0.816  -9.989   0.520
   85   3HD1  LEU  11          HD13      LEU  11  -0.058  -9.442   2.014
   86   1HD2  LEU  11          HD21      LEU  11   1.540 -11.709   0.020
   87   2HD2  LEU  11          HD22      LEU  11   2.970 -10.901   0.663
   88   3HD2  LEU  11          HD23      LEU  11   2.524 -10.690  -1.031
   89    H    MET  12           HN       MET  12   1.453  -5.492  -2.545
   90    HA   MET  12           HA       MET  12   3.285  -6.696  -4.423
   91   1HB   MET  12           HB2      MET  12   1.854  -4.167  -4.130
   92   2HB   MET  12           HB1      MET  12   3.482  -3.938  -4.769
   93   1HG   MET  12           HG2      MET  12   1.600  -6.033  -5.866
   94   2HG   MET  12           HG1      MET  12   1.645  -4.386  -6.498
   95   1HE   MET  12           HE1      MET  12   5.252  -3.930  -7.702
   96   2HE   MET  12           HE2      MET  12   4.265  -3.355  -6.361
   97   3HE   MET  12           HE3      MET  12   3.589  -3.396  -7.987
   98    H    TYR  13           HN       TYR  13   3.691  -5.064  -1.415
   99    HA   TYR  13           HA       TYR  13   5.620  -4.473  -0.222
  100   1HB   TYR  13           HB2      TYR  13   6.708  -6.412  -2.263
  101   2HB   TYR  13           HB1      TYR  13   7.775  -5.602  -1.117
  102    HD1  TYR  13           HD1      TYR  13   5.428  -8.287  -1.606
  103    HD2  TYR  13           HD2      TYR  13   7.242  -5.785   1.376
  104    HE1  TYR  13           HE1      TYR  13   4.792  -9.917   0.150
  105    HE2  TYR  13           HE2      TYR  13   6.607  -7.415   3.131
  106    HH   TYR  13           HH       TYR  13   5.666 -10.538   2.485
  107    H    ASP  14           HN       ASP  14   4.979  -2.341  -1.412
  108    HA   ASP  14           HA       ASP  14   7.322  -1.475  -3.060
  109   1HB   ASP  14           HB2      ASP  14   5.420   0.327  -3.759
  110   2HB   ASP  14           HB1      ASP  14   5.704  -1.167  -4.650
  111    H    CYS  15           HN       CYS  15   5.257  -0.842  -0.335
  112    HA   CYS  15           HA       CYS  15   5.896   1.936   0.043
  113   1HB   CYS  15           HB2      CYS  15   5.415   0.043   2.330
  114   2HB   CYS  15           HB1      CYS  15   4.957   1.739   2.171
  115    H    CYS  16           HN       CYS  16   7.715   2.784   0.405
  116    HA   CYS  16           HA       CYS  16  10.173   1.529   0.834
  117   1HB   CYS  16           HB2      CYS  16   9.270   4.097   0.481
  118   2HB   CYS  16           HB1      CYS  16   9.861   4.141   2.134
  119    H    THR  17           HN       THR  17   7.793   2.698   3.200
  120    HA   THR  17           HA       THR  17   9.178   1.069   5.271
  121    HB   THR  17           HB       THR  17   8.382   3.126   6.812
  122    HG1  THR  17           HG1      THR  17   8.560   5.023   5.761
  123   1HG2  THR  17          HG21      THR  17  10.639   3.613   7.057
  124   2HG2  THR  17          HG22      THR  17  10.959   3.489   5.329
  125   3HG2  THR  17          HG23      THR  17  10.724   2.028   6.289
  126    H    GLY  18           HN       GLY  18   7.557  -0.452   5.500
  127   1HA   GLY  18           HA2      GLY  18   5.533  -0.803   6.950
  128   2HA   GLY  18           HA1      GLY  18   4.833   0.606   6.152
  129    H    SER  19           HN       SER  19   3.072  -1.048   5.702
  130    HA   SER  19           HA       SER  19   3.709  -2.482   3.157
  131   1HB   SER  19           HB2      SER  19   1.876  -4.125   3.943
  132   2HB   SER  19           HB1      SER  19   3.453  -4.243   4.718
  133    HG   SER  19           HG       SER  19   2.415  -3.894   6.503
  134    H    CYS  20           HN       CYS  20   1.522  -2.998   1.985
  135    HA   CYS  20           HA       CYS  20   0.219  -0.538   1.379
  136   1HB   CYS  20           HB2      CYS  20  -0.909  -3.322   0.967
  137   2HB   CYS  20           HB1      CYS  20  -1.324  -1.869   0.063
  138    H    ARG  21           HN       ARG  21  -0.823   0.503   3.093
  139    HA   ARG  21           HA       ARG  21  -2.685  -1.112   4.762
  140   1HB   ARG  21           HB2      ARG  21  -1.205   0.273   6.070
  141   2HB   ARG  21           HB1      ARG  21  -1.583   1.691   5.090
  142   1HG   ARG  21           HG2      ARG  21  -3.867   1.709   5.876
  143   2HG   ARG  21           HG1      ARG  21  -3.644   0.169   6.702
  144   1HD   ARG  21           HD2      ARG  21  -3.474   1.874   8.381
  145   2HD   ARG  21           HD1      ARG  21  -1.834   1.296   8.081
  146    HE   ARG  21           HE       ARG  21  -2.090   3.431   6.345
  147   1HH1  ARG  21          HH21      ARG  21  -2.602   2.896   9.717
  148   2HH1  ARG  21          HH22      ARG  21  -2.193   4.518  10.167
  149   1HH2  ARG  21          HH11      ARG  21  -1.555   5.548   6.921
  150   2HH2  ARG  21          HH12      ARG  21  -1.600   6.016   8.588
  151    H    SER  22           HN       SER  22  -4.905  -0.735   4.699
  152    HA   SER  22           HA       SER  22  -6.944   0.012   3.803
  153   1HB   SER  22           HB2      SER  22  -7.234   2.270   3.961
  154   2HB   SER  22           HB1      SER  22  -5.609   2.243   4.640
  155    HG   SER  22           HG       SER  22  -6.406   3.474   2.475
  156    H    GLY  23           HN       GLY  23  -4.599  -1.020   2.053
  157   1HA   GLY  23           HA2      GLY  23  -4.773  -1.749  -0.226
  158   2HA   GLY  23           HA1      GLY  23  -5.981  -0.496  -0.512
  159    H    LYS  24           HN       LYS  24  -3.859   1.258   1.082
  160    HA   LYS  24           HA       LYS  24  -2.207   1.792  -1.343
  161   1HB   LYS  24           HB2      LYS  24  -3.067   3.847   0.708
  162   2HB   LYS  24           HB1      LYS  24  -2.282   4.152  -0.842
  163   1HG   LYS  24           HG2      LYS  24  -4.207   3.730  -2.059
  164   2HG   LYS  24           HG1      LYS  24  -4.864   2.648  -0.832
  165   1HD   LYS  24           HD2      LYS  24  -6.120   4.774  -0.896
  166   2HD   LYS  24           HD1      LYS  24  -5.289   4.576   0.647
  167   1HE   LYS  24           HE2      LYS  24  -4.968   6.860  -0.194
  168   2HE   LYS  24           HE1      LYS  24  -3.432   5.993  -0.186
  169   1HZ   LYS  24           HZ1      LYS  24  -3.461   5.741  -2.467
  170   2HZ   LYS  24           HZ2      LYS  24  -4.101   7.303  -2.273
  171   3HZ   LYS  24           HZ3      LYS  24  -5.134   5.992  -2.590
  172   1H    CYS  25           H1       CYS  25   2.375   2.409   3.164
  173    H    CYS  25           HN       CYS  25  -0.139   3.046  -0.726
  174    HA   CYS  25           HA       CYS  25   1.264   1.455   1.244
  175   1HB   CYS  25           HB2      CYS  25   1.954   3.611  -0.666
  176   2HB   CYS  25           HB1      CYS  25   2.974   3.509   0.766
  Start of MODEL    5
    1   2H    CYS   1           HT2      CYS   1  12.536   1.418  -3.481
    2   3H    CYS   1           HT3      CYS   1  12.038   2.990  -3.887
    3    HA   CYS   1           HA       CYS   1  10.038   0.951  -3.162
    4   1HB   CYS   1           HB2      CYS   1  10.243   1.502  -0.841
    5   2HB   CYS   1           HB1      CYS   1  11.862   1.074  -1.391
    6    H    LYS   2           HN       LYS   2   8.258   2.231  -1.949
    7    HA   LYS   2           HA       LYS   2   7.943   4.885  -3.274
    8   1HB   LYS   2           HB2      LYS   2   5.704   3.039  -2.456
    9   2HB   LYS   2           HB1      LYS   2   5.628   4.421  -3.539
   10   1HG   LYS   2           HG2      LYS   2   7.114   1.841  -4.039
   11   2HG   LYS   2           HG1      LYS   2   5.635   2.352  -4.843
   12   1HD   LYS   2           HD2      LYS   2   6.735   3.769  -6.241
   13   2HD   LYS   2           HD1      LYS   2   7.847   4.303  -4.983
   14   1HE   LYS   2           HE2      LYS   2   9.212   3.107  -6.511
   15   2HE   LYS   2           HE1      LYS   2   8.928   1.975  -5.190
   16   1HZ   LYS   2           HZ1      LYS   2   8.525   0.798  -7.172
   17   2HZ   LYS   2           HZ2      LYS   2   7.596   2.058  -7.834
   18   3HZ   LYS   2           HZ3      LYS   2   6.992   1.146  -6.534
   19    H    GLY   3           HN       GLY   3   6.009   6.068  -2.032
   20   1HA   GLY   3           HA2      GLY   3   6.601   5.840   0.896
   21   2HA   GLY   3           HA1      GLY   3   6.438   7.403   0.094
   22    H    LYS   4           HN       LYS   4   4.784   6.718   2.268
   23    HA   LYS   4           HA       LYS   4   2.337   5.508   1.801
   24   1HB   LYS   4           HB2      LYS   4   3.315   7.194   3.744
   25   2HB   LYS   4           HB1      LYS   4   2.032   8.165   3.028
   26   1HG   LYS   4           HG2      LYS   4   1.094   5.476   3.298
   27   2HG   LYS   4           HG1      LYS   4   1.773   5.988   4.839
   28   1HD   LYS   4           HD2      LYS   4  -0.355   7.430   3.235
   29   2HD   LYS   4           HD1      LYS   4  -0.569   6.626   4.791
   30   1HE   LYS   4           HE2      LYS   4   0.048   8.501   5.863
   31   2HE   LYS   4           HE1      LYS   4   1.602   8.480   5.026
   32   1HZ   LYS   4           HZ1      LYS   4  -0.480   9.329   3.292
   33   2HZ   LYS   4           HZ2      LYS   4   0.953  10.134   3.726
   34   3HZ   LYS   4           HZ3      LYS   4  -0.440  10.297   4.686
   35    H    GLY   5           HN       GLY   5   0.264   6.391   1.109
   36   1HA   GLY   5           HA2      GLY   5  -1.090   7.898  -0.177
   37   2HA   GLY   5           HA1      GLY   5   0.366   8.787  -0.624
   38    H    ALA   6           HN       ALA   6   1.869   6.422  -1.411
   39    HA   ALA   6           HA       ALA   6   0.924   6.190  -4.144
   40   1HB   ALA   6           HB1      ALA   6   3.233   5.981  -4.081
   41   2HB   ALA   6           HB2      ALA   6   2.786   4.275  -4.041
   42   3HB   ALA   6           HB3      ALA   6   3.215   5.109  -2.548
   43    H    LYS   7           HN       LYS   7  -1.255   5.390  -3.366
   44    HA   LYS   7           HA       LYS   7  -1.964   3.141  -2.071
   45   1HB   LYS   7           HB2      LYS   7  -3.835   2.862  -3.579
   46   2HB   LYS   7           HB1      LYS   7  -3.501   4.587  -3.417
   47   1HG   LYS   7           HG2      LYS   7  -1.853   3.653  -5.515
   48   2HG   LYS   7           HG1      LYS   7  -3.450   2.965  -5.792
   49   1HD   LYS   7           HD2      LYS   7  -3.497   5.788  -4.960
   50   2HD   LYS   7           HD1      LYS   7  -2.716   5.507  -6.516
   51   1HE   LYS   7           HE2      LYS   7  -5.174   5.897  -6.733
   52   2HE   LYS   7           HE1      LYS   7  -4.677   4.317  -7.338
   53   1HZ   LYS   7           HZ1      LYS   7  -6.692   4.547  -5.722
   54   2HZ   LYS   7           HZ2      LYS   7  -5.483   4.567  -4.529
   55   3HZ   LYS   7           HZ3      LYS   7  -5.622   3.239  -5.580
   56    H    CYS   8           HN       CYS   8  -2.258   0.847  -2.640
   57    HA   CYS   8           HA       CYS   8  -0.516  -0.073  -4.873
   58   1HB   CYS   8           HB2      CYS   8   1.034  -0.867  -3.431
   59   2HB   CYS   8           HB1      CYS   8   0.106  -0.252  -2.080
   60    H    SER   9           HN       SER   9  -0.897  -2.726  -4.857
   61    HA   SER   9           HA       SER   9  -3.819  -2.977  -5.199
   62   1HB   SER   9           HB2      SER   9  -1.492  -4.119  -6.434
   63   2HB   SER   9           HB1      SER   9  -2.515  -5.411  -5.812
   64    HG   SER   9           HG       SER   9  -3.680  -5.033  -7.520
   65    H    ARG  10           HN       ARG  10  -1.294  -5.046  -3.831
   66    HA   ARG  10           HA       ARG  10  -2.273  -5.308  -1.241
   67   1HB   ARG  10           HB2      ARG  10  -4.058  -6.527  -3.141
   68   2HB   ARG  10           HB1      ARG  10  -3.361  -7.778  -2.110
   69   1HG   ARG  10           HG2      ARG  10  -3.888  -6.074  -0.176
   70   2HG   ARG  10           HG1      ARG  10  -5.037  -5.411  -1.338
   71   1HD   ARG  10           HD2      ARG  10  -5.358  -8.215  -1.447
   72   2HD   ARG  10           HD1      ARG  10  -5.265  -7.800   0.266
   73    HE   ARG  10           HE       ARG  10  -7.013  -5.922  -0.788
   74   1HH1  ARG  10          HH21      ARG  10  -6.746  -9.365  -0.768
   75   2HH1  ARG  10          HH22      ARG  10  -8.457  -9.626  -0.835
   76   1HH2  ARG  10          HH11      ARG  10  -9.242  -6.250  -0.888
   77   2HH2  ARG  10          HH12      ARG  10  -9.869  -7.866  -0.902
   78    H    LEU  11           HN       LEU  11  -0.114  -5.718  -0.787
   79    HA   LEU  11           HA       LEU  11   1.654  -7.187  -0.256
   80   1HB   LEU  11           HB2      LEU  11  -0.435  -8.952  -0.945
   81   2HB   LEU  11           HB1      LEU  11   0.965  -9.472  -1.888
   82    HG   LEU  11           HG       LEU  11   2.024  -8.864   0.619
   83   1HD1  LEU  11          HD11      LEU  11   0.529  -9.335   2.244
   84   2HD1  LEU  11          HD12      LEU  11  -0.031 -10.782   1.405
   85   3HD1  LEU  11          HD13      LEU  11  -0.717  -9.209   1.002
   86   1HD2  LEU  11          HD21      LEU  11   2.097 -10.918  -1.170
   87   2HD2  LEU  11          HD22      LEU  11   1.210 -11.672   0.155
   88   3HD2  LEU  11          HD23      LEU  11   2.814 -10.997   0.439
   89    H    MET  12           HN       MET  12   2.117  -5.337  -2.098
   90    HA   MET  12           HA       MET  12   3.345  -6.747  -4.429
   91   1HB   MET  12           HB2      MET  12   2.222  -4.004  -4.017
   92   2HB   MET  12           HB1      MET  12   3.561  -4.186  -5.148
   93   1HG   MET  12           HG2      MET  12   1.724  -6.312  -5.639
   94   2HG   MET  12           HG1      MET  12   0.800  -4.811  -5.564
   95   1HE   MET  12           HE1      MET  12   3.994  -6.143  -8.501
   96   2HE   MET  12           HE2      MET  12   3.371  -6.944  -7.062
   97   3HE   MET  12           HE3      MET  12   4.562  -5.656  -6.898
   98    H    TYR  13           HN       TYR  13   3.972  -5.032  -1.521
   99    HA   TYR  13           HA       TYR  13   5.970  -4.433  -0.462
  100   1HB   TYR  13           HB2      TYR  13   7.048  -6.339  -2.556
  101   2HB   TYR  13           HB1      TYR  13   8.034  -5.642  -1.273
  102    HD1  TYR  13           HD1      TYR  13   5.584  -8.156  -2.137
  103    HD2  TYR  13           HD2      TYR  13   7.414  -6.070   1.137
  104    HE1  TYR  13           HE1      TYR  13   4.791  -9.915  -0.579
  105    HE2  TYR  13           HE2      TYR  13   6.623  -7.829   2.698
  106    HH   TYR  13           HH       TYR  13   5.898 -10.637   2.081
  107    H    ASP  14           HN       ASP  14   5.626  -2.236  -1.310
  108    HA   ASP  14           HA       ASP  14   7.867  -1.451  -3.076
  109   1HB   ASP  14           HB2      ASP  14   4.955  -1.040  -3.644
  110   2HB   ASP  14           HB1      ASP  14   6.099   0.216  -4.113
  111    H    CYS  15           HN       CYS  15   5.250  -0.483  -0.878
  112    HA   CYS  15           HA       CYS  15   6.129   2.231  -0.488
  113   1HB   CYS  15           HB2      CYS  15   4.978   0.684   1.812
  114   2HB   CYS  15           HB1      CYS  15   4.657   2.339   1.303
  115    H    CYS  16           HN       CYS  16   7.820   2.980   0.400
  116    HA   CYS  16           HA       CYS  16   9.973   1.408   1.327
  117   1HB   CYS  16           HB2      CYS  16   9.489   4.070   0.721
  118   2HB   CYS  16           HB1      CYS  16   9.904   4.093   2.417
  119    H    THR  17           HN       THR  17   7.337   3.004   3.107
  120    HA   THR  17           HA       THR  17   8.450   1.837   5.623
  121    HB   THR  17           HB       THR  17   7.099   3.455   6.832
  122    HG1  THR  17           HG1      THR  17   5.407   4.255   5.923
  123   1HG2  THR  17          HG21      THR  17   8.280   5.013   4.540
  124   2HG2  THR  17          HG22      THR  17   9.311   4.128   5.666
  125   3HG2  THR  17          HG23      THR  17   8.264   5.420   6.257
  126    H    GLY  18           HN       GLY  18   7.278   0.297   6.701
  127   1HA   GLY  18           HA2      GLY  18   5.658  -1.381   6.981
  128   2HA   GLY  18           HA1      GLY  18   4.503  -0.075   6.715
  129    H    SER  19           HN       SER  19   3.088  -1.432   5.514
  130    HA   SER  19           HA       SER  19   4.054  -2.000   2.748
  131   1HB   SER  19           HB2      SER  19   2.001  -3.865   3.633
  132   2HB   SER  19           HB1      SER  19   3.571  -4.199   2.907
  133    HG   SER  19           HG       SER  19   2.899  -4.636   5.360
  134    H    CYS  20           HN       CYS  20   1.619  -2.937   1.748
  135    HA   CYS  20           HA       CYS  20   0.200  -0.524   1.226
  136   1HB   CYS  20           HB2      CYS  20  -0.917  -3.332   1.015
  137   2HB   CYS  20           HB1      CYS  20  -1.403  -1.918   0.081
  138    H    ARG  21           HN       ARG  21  -0.814   0.566   2.896
  139    HA   ARG  21           HA       ARG  21  -2.302  -1.024   4.915
  140   1HB   ARG  21           HB2      ARG  21  -0.694   1.159   5.226
  141   2HB   ARG  21           HB1      ARG  21  -2.281   1.921   5.144
  142   1HG   ARG  21           HG2      ARG  21  -2.049  -0.513   6.842
  143   2HG   ARG  21           HG1      ARG  21  -1.274   0.954   7.442
  144   1HD   ARG  21           HD2      ARG  21  -3.878   1.595   6.383
  145   2HD   ARG  21           HD1      ARG  21  -4.020   0.297   7.572
  146    HE   ARG  21           HE       ARG  21  -2.360   2.129   8.809
  147   1HH1  ARG  21          HH21      ARG  21  -5.450   2.205   7.265
  148   2HH1  ARG  21          HH22      ARG  21  -6.055   3.490   8.255
  149   1HH2  ARG  21          HH11      ARG  21  -3.145   3.801  10.110
  150   2HH2  ARG  21          HH12      ARG  21  -4.755   4.391   9.865
  151    H    SER  22           HN       SER  22  -4.521  -0.951   5.034
  152    HA   SER  22           HA       SER  22  -6.709  -0.668   4.215
  153   1HB   SER  22           HB2      SER  22  -7.407   1.493   4.441
  154   2HB   SER  22           HB1      SER  22  -5.760   1.771   5.003
  155    HG   SER  22           HG       SER  22  -5.235   2.193   2.765
  156    H    GLY  23           HN       GLY  23  -4.380  -1.293   2.299
  157   1HA   GLY  23           HA2      GLY  23  -4.622  -2.038   0.024
  158   2HA   GLY  23           HA1      GLY  23  -5.972  -0.925  -0.173
  159    H    LYS  24           HN       LYS  24  -4.102   1.130   1.268
  160    HA   LYS  24           HA       LYS  24  -2.769   1.923  -1.262
  161   1HB   LYS  24           HB2      LYS  24  -3.589   3.574   1.141
  162   2HB   LYS  24           HB1      LYS  24  -2.749   4.217  -0.271
  163   1HG   LYS  24           HG2      LYS  24  -4.583   3.832  -1.693
  164   2HG   LYS  24           HG1      LYS  24  -5.321   2.681  -0.581
  165   1HD   LYS  24           HD2      LYS  24  -5.718   4.523   1.034
  166   2HD   LYS  24           HD1      LYS  24  -5.039   5.664  -0.127
  167   1HE   LYS  24           HE2      LYS  24  -6.849   5.477  -1.576
  168   2HE   LYS  24           HE1      LYS  24  -7.272   3.866  -1.001
  169   1HZ   LYS  24           HZ1      LYS  24  -7.479   6.242   0.742
  170   2HZ   LYS  24           HZ2      LYS  24  -8.215   4.723   0.933
  171   3HZ   LYS  24           HZ3      LYS  24  -8.749   5.784  -0.284
  172   1H    CYS  25           H1       CYS  25   2.520   2.511   2.520
  173    H    CYS  25           HN       CYS  25  -0.690   3.363  -0.775
  174    HA   CYS  25           HA       CYS  25   1.150   1.647   0.673
  175   1HB   CYS  25           HB2      CYS  25   1.331   4.039  -1.026
  176   2HB   CYS  25           HB1      CYS  25   2.488   4.044   0.296
  Start of MODEL    6
    1   2H    CYS   1           HT2      CYS   1  10.616   2.055  -5.383
    2   3H    CYS   1           HT3      CYS   1  11.736   1.146  -4.487
    3    HA   CYS   1           HA       CYS   1   9.672   0.930  -3.384
    4   1HB   CYS   1           HB2      CYS   1  10.255   1.700  -1.230
    5   2HB   CYS   1           HB1      CYS   1  11.800   1.475  -2.044
    6    H    LYS   2           HN       LYS   2   8.099   2.360  -1.906
    7    HA   LYS   2           HA       LYS   2   7.387   4.816  -3.435
    8   1HB   LYS   2           HB2      LYS   2   5.701   2.410  -2.854
    9   2HB   LYS   2           HB1      LYS   2   4.933   3.997  -2.919
   10   1HG   LYS   2           HG2      LYS   2   6.779   3.686  -5.122
   11   2HG   LYS   2           HG1      LYS   2   5.620   2.362  -5.098
   12   1HD   LYS   2           HD2      LYS   2   3.906   4.351  -4.637
   13   2HD   LYS   2           HD1      LYS   2   5.146   5.284  -5.475
   14   1HE   LYS   2           HE2      LYS   2   4.829   4.175  -7.472
   15   2HE   LYS   2           HE1      LYS   2   4.330   2.679  -6.682
   16   1HZ   LYS   2           HZ1      LYS   2   2.218   3.275  -6.848
   17   2HZ   LYS   2           HZ2      LYS   2   2.696   4.614  -7.780
   18   3HZ   LYS   2           HZ3      LYS   2   2.511   4.768  -6.098
   19    H    GLY   3           HN       GLY   3   5.720   6.134  -2.200
   20   1HA   GLY   3           HA2      GLY   3   6.483   6.142   0.681
   21   2HA   GLY   3           HA1      GLY   3   5.828   7.524  -0.200
   22    H    LYS   4           HN       LYS   4   4.608   6.896   2.175
   23    HA   LYS   4           HA       LYS   4   2.508   5.003   2.040
   24   1HB   LYS   4           HB2      LYS   4   1.848   5.885   4.053
   25   2HB   LYS   4           HB1      LYS   4   3.473   6.529   3.994
   26   1HG   LYS   4           HG2      LYS   4   2.493   8.603   2.898
   27   2HG   LYS   4           HG1      LYS   4   0.903   7.965   3.307
   28   1HD   LYS   4           HD2      LYS   4   1.433   9.379   5.127
   29   2HD   LYS   4           HD1      LYS   4   1.816   7.761   5.717
   30   1HE   LYS   4           HE2      LYS   4   3.889   8.520   6.170
   31   2HE   LYS   4           HE1      LYS   4   4.151   8.615   4.428
   32   1HZ   LYS   4           HZ1      LYS   4   3.041  10.766   6.150
   33   2HZ   LYS   4           HZ2      LYS   4   3.227  10.860   4.463
   34   3HZ   LYS   4           HZ3      LYS   4   4.593  10.734   5.466
   35    H    GLY   5           HN       GLY   5   0.202   5.464   1.803
   36   1HA   GLY   5           HA2      GLY   5  -1.623   6.265   0.570
   37   2HA   GLY   5           HA1      GLY   5  -0.859   7.849   0.677
   38    H    ALA   6           HN       ALA   6   1.254   5.623  -0.756
   39    HA   ALA   6           HA       ALA   6   0.927   6.922  -3.344
   40   1HB   ALA   6           HB1      ALA   6   3.149   6.233  -2.282
   41   2HB   ALA   6           HB2      ALA   6   2.931   5.808  -3.980
   42   3HB   ALA   6           HB3      ALA   6   2.727   4.579  -2.731
   43    H    LYS   7           HN       LYS   7  -1.071   4.861  -2.127
   44    HA   LYS   7           HA       LYS   7  -2.469   3.205  -2.934
   45   1HB   LYS   7           HB2      LYS   7  -2.033   5.050  -4.999
   46   2HB   LYS   7           HB1      LYS   7  -1.888   3.452  -5.744
   47   1HG   LYS   7           HG2      LYS   7  -3.998   3.146  -3.994
   48   2HG   LYS   7           HG1      LYS   7  -4.241   4.763  -4.625
   49   1HD   LYS   7           HD2      LYS   7  -3.625   3.485  -6.926
   50   2HD   LYS   7           HD1      LYS   7  -4.374   2.159  -6.037
   51   1HE   LYS   7           HE2      LYS   7  -6.440   3.216  -5.924
   52   2HE   LYS   7           HE1      LYS   7  -5.736   4.828  -6.058
   53   1HZ   LYS   7           HZ1      LYS   7  -5.687   4.720  -8.293
   54   2HZ   LYS   7           HZ2      LYS   7  -6.934   3.587  -8.071
   55   3HZ   LYS   7           HZ3      LYS   7  -5.340   3.061  -8.330
   56    H    CYS   8           HN       CYS   8  -2.487   1.069  -3.808
   57    HA   CYS   8           HA       CYS   8  -0.071   0.016  -5.076
   58   1HB   CYS   8           HB2      CYS   8   1.046  -0.623  -3.219
   59   2HB   CYS   8           HB1      CYS   8  -0.224   0.044  -2.209
   60    H    SER   9           HN       SER   9  -0.408  -2.631  -4.972
   61    HA   SER   9           HA       SER   9  -3.118  -3.006  -6.069
   62   1HB   SER   9           HB2      SER   9  -0.511  -4.352  -6.299
   63   2HB   SER   9           HB1      SER   9  -1.887  -5.450  -6.219
   64    HG   SER   9           HG       SER   9  -1.486  -4.823  -8.362
   65    H    ARG  10           HN       ARG  10  -1.007  -4.660  -3.779
   66    HA   ARG  10           HA       ARG  10  -2.575  -4.806  -1.545
   67   1HB   ARG  10           HB2      ARG  10  -3.725  -7.113  -1.902
   68   2HB   ARG  10           HB1      ARG  10  -4.490  -5.691  -2.609
   69   1HG   ARG  10           HG2      ARG  10  -4.123  -6.406  -4.729
   70   2HG   ARG  10           HG1      ARG  10  -2.478  -6.925  -4.358
   71   1HD   ARG  10           HD2      ARG  10  -4.903  -8.472  -3.428
   72   2HD   ARG  10           HD1      ARG  10  -4.126  -8.781  -4.982
   73    HE   ARG  10           HE       ARG  10  -2.033  -8.892  -3.177
   74   1HH1  ARG  10          HH21      ARG  10  -5.148 -10.356  -3.467
   75   2HH1  ARG  10          HH22      ARG  10  -4.674 -11.824  -2.681
   76   1HH2  ARG  10          HH11      ARG  10  -1.404 -10.803  -2.151
   77   2HH2  ARG  10          HH12      ARG  10  -2.556 -12.077  -1.937
   78    H    LEU  11           HN       LEU  11  -0.674  -5.199  -0.487
   79    HA   LEU  11           HA       LEU  11   1.008  -6.508   0.498
   80   1HB   LEU  11           HB2      LEU  11  -0.846  -8.475  -0.659
   81   2HB   LEU  11           HB1      LEU  11   0.814  -9.056  -0.535
   82    HG   LEU  11           HG       LEU  11   0.473  -7.789   1.880
   83   1HD1  LEU  11          HD11      LEU  11  -1.750  -7.483   2.181
   84   2HD1  LEU  11          HD12      LEU  11  -1.842  -9.236   2.360
   85   3HD1  LEU  11          HD13      LEU  11  -2.157  -8.491   0.793
   86   1HD2  LEU  11          HD21      LEU  11   1.372  -9.837   2.248
   87   2HD2  LEU  11          HD22      LEU  11   0.562 -10.530   0.843
   88   3HD2  LEU  11          HD23      LEU  11  -0.291 -10.411   2.383
   89    H    MET  12           HN       MET  12   1.807  -4.984  -1.577
   90    HA   MET  12           HA       MET  12   3.410  -6.783  -3.338
   91   1HB   MET  12           HB2      MET  12   2.313  -4.017  -3.633
   92   2HB   MET  12           HB1      MET  12   3.830  -4.395  -4.448
   93   1HG   MET  12           HG2      MET  12   2.271  -6.608  -5.012
   94   2HG   MET  12           HG1      MET  12   1.108  -5.282  -5.077
   95   1HE   MET  12           HE1      MET  12   3.914  -7.161  -6.961
   96   2HE   MET  12           HE2      MET  12   4.732  -6.112  -5.805
   97   3HE   MET  12           HE3      MET  12   4.930  -5.832  -7.533
   98    H    TYR  13           HN       TYR  13   3.641  -4.922  -0.546
   99    HA   TYR  13           HA       TYR  13   5.466  -4.094   0.674
  100   1HB   TYR  13           HB2      TYR  13   6.751  -6.238  -1.031
  101   2HB   TYR  13           HB1      TYR  13   7.650  -5.344   0.196
  102    HD1  TYR  13           HD1      TYR  13   6.261  -5.111   2.519
  103    HD2  TYR  13           HD2      TYR  13   5.847  -8.272  -0.358
  104    HE1  TYR  13           HE1      TYR  13   5.338  -6.591   4.278
  105    HE2  TYR  13           HE2      TYR  13   4.926  -9.755   1.400
  106    HH   TYR  13           HH       TYR  13   5.118  -9.016   4.711
  107    H    ASP  14           HN       ASP  14   4.772  -2.348  -1.275
  108    HA   ASP  14           HA       ASP  14   7.293  -1.640  -2.699
  109   1HB   ASP  14           HB2      ASP  14   4.593  -0.345  -3.092
  110   2HB   ASP  14           HB1      ASP  14   5.964  -0.364  -4.199
  111    H    CYS  15           HN       CYS  15   5.362  -0.794  -0.006
  112    HA   CYS  15           HA       CYS  15   5.921   2.039   0.085
  113   1HB   CYS  15           HB2      CYS  15   5.533   0.356   2.548
  114   2HB   CYS  15           HB1      CYS  15   5.012   2.012   2.240
  115    H    CYS  16           HN       CYS  16   7.689   3.001   0.447
  116    HA   CYS  16           HA       CYS  16  10.191   1.763   0.847
  117   1HB   CYS  16           HB2      CYS  16   9.273   4.250   0.186
  118   2HB   CYS  16           HB1      CYS  16   9.914   4.528   1.795
  119    H    THR  17           HN       THR  17   7.720   2.294   3.165
  120    HA   THR  17           HA       THR  17   9.739   1.884   5.327
  121    HB   THR  17           HB       THR  17   8.487   3.390   6.790
  122    HG1  THR  17           HG1      THR  17   6.883   4.692   5.364
  123   1HG2  THR  17          HG21      THR  17  10.227   4.196   5.021
  124   2HG2  THR  17          HG22      THR  17   9.236   5.400   5.846
  125   3HG2  THR  17          HG23      THR  17   8.826   4.894   4.208
  126    H    GLY  18           HN       GLY  18   7.144   0.533   3.788
  127   1HA   GLY  18           HA2      GLY  18   6.762  -1.464   5.800
  128   2HA   GLY  18           HA1      GLY  18   5.435  -0.307   5.897
  129    H    SER  19           HN       SER  19   3.827  -1.702   5.138
  130    HA   SER  19           HA       SER  19   4.148  -2.610   2.305
  131   1HB   SER  19           HB2      SER  19   3.571  -4.154   4.587
  132   2HB   SER  19           HB1      SER  19   2.036  -3.983   3.741
  133    HG   SER  19           HG       SER  19   2.783  -5.183   2.181
  134    H    CYS  20           HN       CYS  20   1.566  -3.173   1.659
  135    HA   CYS  20           HA       CYS  20   0.420  -0.547   1.313
  136   1HB   CYS  20           HB2      CYS  20  -0.976  -3.200   0.893
  137   2HB   CYS  20           HB1      CYS  20  -1.351  -1.661   0.123
  138    H    ARG  21           HN       ARG  21  -1.326   0.393   2.347
  139    HA   ARG  21           HA       ARG  21  -2.503  -1.115   4.638
  140   1HB   ARG  21           HB2      ARG  21  -0.853   0.951   5.028
  141   2HB   ARG  21           HB1      ARG  21  -2.341   1.857   4.771
  142   1HG   ARG  21           HG2      ARG  21  -3.025  -0.297   6.460
  143   2HG   ARG  21           HG1      ARG  21  -1.509   0.349   7.089
  144   1HD   ARG  21           HD2      ARG  21  -2.528   2.650   6.977
  145   2HD   ARG  21           HD1      ARG  21  -4.064   1.889   6.556
  146    HE   ARG  21           HE       ARG  21  -3.314   0.595   8.882
  147   1HH1  ARG  21          HH21      ARG  21  -3.680   3.876   7.867
  148   2HH1  ARG  21          HH22      ARG  21  -4.134   4.446   9.438
  149   1HH2  ARG  21          HH11      ARG  21  -3.905   1.327  10.932
  150   2HH2  ARG  21          HH12      ARG  21  -4.262   3.006  11.170
  151    H    SER  22           HN       SER  22  -4.652  -1.288   4.436
  152    HA   SER  22           HA       SER  22  -6.827  -0.965   3.601
  153   1HB   SER  22           HB2      SER  22  -7.654   1.255   3.724
  154   2HB   SER  22           HB1      SER  22  -6.357   1.206   4.915
  155    HG   SER  22           HG       SER  22  -6.532   2.545   2.500
  156    H    GLY  23           HN       GLY  23  -4.346  -1.127   1.719
  157   1HA   GLY  23           HA2      GLY  23  -4.739  -1.648  -0.675
  158   2HA   GLY  23           HA1      GLY  23  -5.834  -0.269  -0.731
  159    H    LYS  24           HN       LYS  24  -4.320   1.679   0.550
  160    HA   LYS  24           HA       LYS  24  -2.244   2.152  -1.499
  161   1HB   LYS  24           HB2      LYS  24  -3.225   4.045   0.653
  162   2HB   LYS  24           HB1      LYS  24  -2.309   4.462  -0.795
  163   1HG   LYS  24           HG2      LYS  24  -4.169   4.515  -2.072
  164   2HG   LYS  24           HG1      LYS  24  -4.748   2.981  -1.419
  165   1HD   LYS  24           HD2      LYS  24  -5.244   4.429   0.729
  166   2HD   LYS  24           HD1      LYS  24  -5.234   5.768  -0.421
  167   1HE   LYS  24           HE2      LYS  24  -6.912   4.573  -1.802
  168   2HE   LYS  24           HE1      LYS  24  -6.947   3.273  -0.608
  169   1HZ   LYS  24           HZ1      LYS  24  -7.444   5.189   1.028
  170   2HZ   LYS  24           HZ2      LYS  24  -8.695   4.600   0.041
  171   3HZ   LYS  24           HZ3      LYS  24  -7.903   6.049  -0.360
  172   1H    CYS  25           H1       CYS  25   2.364   2.448   3.138
  173    H    CYS  25           HN       CYS  25  -0.130   3.069  -0.782
  174    HA   CYS  25           HA       CYS  25   1.094   1.390   1.194
  175   1HB   CYS  25           HB2      CYS  25   1.923   3.600  -0.569
  176   2HB   CYS  25           HB1      CYS  25   2.834   3.499   0.939
  Start of MODEL    7
    1   2H    CYS   1           HT2      CYS   1  11.695   1.315  -4.809
    2   3H    CYS   1           HT3      CYS   1  11.970   2.875  -4.194
    3    HA   CYS   1           HA       CYS   1   9.650   1.099  -3.774
    4   1HB   CYS   1           HB2      CYS   1  10.111   1.473  -1.473
    5   2HB   CYS   1           HB1      CYS   1  11.687   1.213  -2.220
    6    H    LYS   2           HN       LYS   2   8.005   2.306  -2.256
    7    HA   LYS   2           HA       LYS   2   7.571   5.049  -3.346
    8   1HB   LYS   2           HB2      LYS   2   5.642   2.750  -3.061
    9   2HB   LYS   2           HB1      LYS   2   5.071   4.418  -3.124
   10   1HG   LYS   2           HG2      LYS   2   7.054   3.661  -5.193
   11   2HG   LYS   2           HG1      LYS   2   5.470   2.902  -5.335
   12   1HD   LYS   2           HD2      LYS   2   4.704   5.442  -4.821
   13   2HD   LYS   2           HD1      LYS   2   6.234   5.756  -5.642
   14   1HE   LYS   2           HE2      LYS   2   4.687   3.684  -6.990
   15   2HE   LYS   2           HE1      LYS   2   3.792   5.199  -6.874
   16   1HZ   LYS   2           HZ1      LYS   2   5.030   5.424  -8.806
   17   2HZ   LYS   2           HZ2      LYS   2   6.411   4.696  -8.138
   18   3HZ   LYS   2           HZ3      LYS   2   5.958   6.262  -7.660
   19    H    GLY   3           HN       GLY   3   5.777   6.172  -1.937
   20   1HA   GLY   3           HA2      GLY   3   6.351   5.547   0.937
   21   2HA   GLY   3           HA1      GLY   3   6.204   7.198   0.334
   22    H    LYS   4           HN       LYS   4   4.518   6.445   2.401
   23    HA   LYS   4           HA       LYS   4   2.094   5.250   1.809
   24   1HB   LYS   4           HB2      LYS   4   1.243   6.363   3.673
   25   2HB   LYS   4           HB1      LYS   4   2.964   6.346   3.990
   26   1HG   LYS   4           HG2      LYS   4   2.858   8.634   2.629
   27   2HG   LYS   4           HG1      LYS   4   1.206   8.621   3.230
   28   1HD   LYS   4           HD2      LYS   4   2.766   7.869   5.432
   29   2HD   LYS   4           HD1      LYS   4   3.667   9.178   4.668
   30   1HE   LYS   4           HE2      LYS   4   2.031  10.735   5.089
   31   2HE   LYS   4           HE1      LYS   4   0.727   9.556   4.937
   32   1HZ   LYS   4           HZ1      LYS   4   0.889   8.957   7.095
   33   2HZ   LYS   4           HZ2      LYS   4   1.505  10.531   7.260
   34   3HZ   LYS   4           HZ3      LYS   4   2.565   9.206   7.170
   35    H    GLY   5           HN       GLY   5   0.066   6.108   1.099
   36   1HA   GLY   5           HA2      GLY   5  -1.310   7.748  -0.023
   37   2HA   GLY   5           HA1      GLY   5   0.149   8.684  -0.382
   38    H    ALA   6           HN       ALA   6   1.748   6.573  -1.342
   39    HA   ALA   6           HA       ALA   6   0.785   6.367  -4.070
   40   1HB   ALA   6           HB1      ALA   6   3.007   4.696  -2.899
   41   2HB   ALA   6           HB2      ALA   6   3.245   6.417  -3.203
   42   3HB   ALA   6           HB3      ALA   6   2.856   5.332  -4.538
   43    H    LYS   7           HN       LYS   7  -1.277   5.312  -3.486
   44    HA   LYS   7           HA       LYS   7  -1.819   3.025  -2.176
   45   1HB   LYS   7           HB2      LYS   7  -3.638   2.625  -3.628
   46   2HB   LYS   7           HB1      LYS   7  -3.345   4.358  -3.768
   47   1HG   LYS   7           HG2      LYS   7  -1.717   3.614  -5.698
   48   2HG   LYS   7           HG1      LYS   7  -2.718   2.172  -5.711
   49   1HD   LYS   7           HD2      LYS   7  -3.676   3.724  -7.296
   50   2HD   LYS   7           HD1      LYS   7  -4.742   3.664  -5.893
   51   1HE   LYS   7           HE2      LYS   7  -3.153   5.663  -5.086
   52   2HE   LYS   7           HE1      LYS   7  -2.959   5.865  -6.827
   53   1HZ   LYS   7           HZ1      LYS   7  -5.649   5.515  -5.690
   54   2HZ   LYS   7           HZ2      LYS   7  -5.179   6.307  -7.118
   55   3HZ   LYS   7           HZ3      LYS   7  -4.900   7.035  -5.609
   56    H    CYS   8           HN       CYS   8  -1.917   0.757  -2.713
   57    HA   CYS   8           HA       CYS   8   0.132  -0.079  -4.714
   58   1HB   CYS   8           HB2      CYS   8   1.500  -0.757  -3.037
   59   2HB   CYS   8           HB1      CYS   8   0.330  -0.209  -1.850
   60    H    SER   9           HN       SER   9  -0.125  -2.755  -4.740
   61    HA   SER   9           HA       SER   9  -2.966  -3.119  -5.454
   62   1HB   SER   9           HB2      SER   9  -0.472  -4.154  -6.417
   63   2HB   SER   9           HB1      SER   9  -1.490  -5.500  -5.911
   64    HG   SER   9           HG       SER   9  -2.012  -3.470  -7.808
   65    H    ARG  10           HN       ARG  10  -0.517  -4.641  -3.424
   66    HA   ARG  10           HA       ARG  10  -2.369  -5.231  -1.321
   67   1HB   ARG  10           HB2      ARG  10  -3.279  -6.898  -2.832
   68   2HB   ARG  10           HB1      ARG  10  -1.668  -7.521  -3.185
   69   1HG   ARG  10           HG2      ARG  10  -1.508  -7.938  -0.623
   70   2HG   ARG  10           HG1      ARG  10  -3.265  -7.770  -0.642
   71   1HD   ARG  10           HD2      ARG  10  -3.545  -9.636  -2.067
   72   2HD   ARG  10           HD1      ARG  10  -1.853  -9.618  -2.564
   73    HE   ARG  10           HE       ARG  10  -1.742 -10.085   0.167
   74   1HH1  ARG  10          HH21      ARG  10  -3.348 -11.485  -2.552
   75   2HH1  ARG  10          HH22      ARG  10  -3.363 -13.082  -1.883
   76   1HH2  ARG  10          HH11      ARG  10  -1.756 -12.165   1.047
   77   2HH2  ARG  10          HH12      ARG  10  -2.463 -13.466   0.151
   78    H    LEU  11           HN       LEU  11   0.089  -7.548  -2.392
   79    HA   LEU  11           HA       LEU  11   1.817  -6.545  -0.166
   80   1HB   LEU  11           HB2      LEU  11   0.737  -9.211  -0.701
   81   2HB   LEU  11           HB1      LEU  11   2.491  -9.216  -0.513
   82    HG   LEU  11           HG       LEU  11   1.481  -7.481   1.481
   83   1HD1  LEU  11          HD11      LEU  11  -0.169  -8.737   2.638
   84   2HD1  LEU  11          HD12      LEU  11   0.103 -10.165   1.640
   85   3HD1  LEU  11          HD13      LEU  11  -0.695  -8.749   0.956
   86   1HD2  LEU  11          HD21      LEU  11   3.295  -8.608   2.264
   87   2HD2  LEU  11          HD22      LEU  11   2.981 -10.005   1.235
   88   3HD2  LEU  11          HD23      LEU  11   2.128  -9.832   2.768
   89    H    MET  12           HN       MET  12   1.948  -5.796  -2.991
   90    HA   MET  12           HA       MET  12   4.050  -7.269  -4.302
   91   1HB   MET  12           HB2      MET  12   3.028  -4.436  -4.640
   92   2HB   MET  12           HB1      MET  12   4.270  -5.144  -5.673
   93   1HG   MET  12           HG2      MET  12   2.160  -7.037  -5.513
   94   2HG   MET  12           HG1      MET  12   1.416  -5.468  -5.825
   95   1HE   MET  12           HE1      MET  12   1.443  -7.918  -8.326
   96   2HE   MET  12           HE2      MET  12   1.188  -6.464  -9.288
   97   3HE   MET  12           HE3      MET  12   0.515  -6.565  -7.663
   98    H    TYR  13           HN       TYR  13   4.071  -5.298  -1.568
   99    HA   TYR  13           HA       TYR  13   5.822  -4.428  -0.282
  100   1HB   TYR  13           HB2      TYR  13   7.413  -6.175  -2.180
  101   2HB   TYR  13           HB1      TYR  13   8.125  -5.327  -0.807
  102    HD1  TYR  13           HD1      TYR  13   7.333  -8.454  -1.644
  103    HD2  TYR  13           HD2      TYR  13   6.132  -5.550   1.283
  104    HE1  TYR  13           HE1      TYR  13   6.605 -10.279  -0.134
  105    HE2  TYR  13           HE2      TYR  13   5.404  -7.373   2.795
  106    HH   TYR  13           HH       TYR  13   6.171 -10.009   3.000
  107    H    ASP  14           HN       ASP  14   4.906  -2.541  -1.864
  108    HA   ASP  14           HA       ASP  14   7.202  -1.474  -3.438
  109   1HB   ASP  14           HB2      ASP  14   4.538  -0.124  -3.430
  110   2HB   ASP  14           HB1      ASP  14   5.695  -0.317  -4.746
  111    H    CYS  15           HN       CYS  15   4.898  -0.616  -0.862
  112    HA   CYS  15           HA       CYS  15   5.828   2.029  -0.369
  113   1HB   CYS  15           HB2      CYS  15   5.076   0.202   1.904
  114   2HB   CYS  15           HB1      CYS  15   4.750   1.922   1.706
  115    H    CYS  16           HN       CYS  16   7.662   2.739   0.201
  116    HA   CYS  16           HA       CYS  16   9.980   1.227   0.630
  117   1HB   CYS  16           HB2      CYS  16   9.325   3.881   0.344
  118   2HB   CYS  16           HB1      CYS  16   9.911   3.813   1.994
  119    H    THR  17           HN       THR  17   7.512   2.259   2.911
  120    HA   THR  17           HA       THR  17   8.910   0.671   5.007
  121    HB   THR  17           HB       THR  17   8.110   2.495   6.653
  122    HG1  THR  17           HG1      THR  17   7.122   4.082   5.736
  123   1HG2  THR  17          HG21      THR  17  10.387   2.537   6.577
  124   2HG2  THR  17          HG22      THR  17  10.132   4.012   5.646
  125   3HG2  THR  17          HG23      THR  17  10.428   2.485   4.813
  126    H    GLY  18           HN       GLY  18   7.414  -0.039   6.726
  127   1HA   GLY  18           HA2      GLY  18   5.373  -0.952   7.437
  128   2HA   GLY  18           HA1      GLY  18   4.601   0.429   6.653
  129    H    SER  19           HN       SER  19   2.908  -0.786   5.711
  130    HA   SER  19           HA       SER  19   3.703  -2.284   3.296
  131   1HB   SER  19           HB2      SER  19   2.671  -4.311   3.853
  132   2HB   SER  19           HB1      SER  19   3.432  -3.855   5.374
  133    HG   SER  19           HG       SER  19   0.978  -4.426   5.114
  134    H    CYS  20           HN       CYS  20   1.624  -2.894   2.041
  135    HA   CYS  20           HA       CYS  20   0.103  -0.569   1.518
  136   1HB   CYS  20           HB2      CYS  20  -0.872  -3.399   1.052
  137   2HB   CYS  20           HB1      CYS  20  -1.273  -1.954   0.124
  138    H    ARG  21           HN       ARG  21  -1.291   0.399   2.929
  139    HA   ARG  21           HA       ARG  21  -3.000  -1.385   4.619
  140   1HB   ARG  21           HB2      ARG  21  -1.426   1.028   5.271
  141   2HB   ARG  21           HB1      ARG  21  -3.073   1.030   5.906
  142   1HG   ARG  21           HG2      ARG  21  -2.540  -1.400   6.666
  143   2HG   ARG  21           HG1      ARG  21  -0.854  -0.935   6.437
  144   1HD   ARG  21           HD2      ARG  21  -1.322   1.075   7.916
  145   2HD   ARG  21           HD1      ARG  21  -2.879   0.337   8.293
  146    HE   ARG  21           HE       ARG  21  -1.044  -1.673   8.822
  147   1HH1  ARG  21          HH21      ARG  21  -1.483   1.625   9.753
  148   2HH1  ARG  21          HH22      ARG  21  -0.757   1.414  11.311
  149   1HH2  ARG  21          HH11      ARG  21  -0.094  -1.956  10.849
  150   2HH2  ARG  21          HH12      ARG  21   0.027  -0.609  11.931
  151    H    SER  22           HN       SER  22  -5.209  -0.936   4.636
  152    HA   SER  22           HA       SER  22  -7.225  -0.163   3.702
  153   1HB   SER  22           HB2      SER  22  -6.908   1.779   5.047
  154   2HB   SER  22           HB1      SER  22  -5.601   2.366   4.023
  155    HG   SER  22           HG       SER  22  -8.357   2.487   3.682
  156    H    GLY  23           HN       GLY  23  -4.854  -0.904   1.913
  157   1HA   GLY  23           HA2      GLY  23  -4.785  -1.194  -0.445
  158   2HA   GLY  23           HA1      GLY  23  -6.110  -0.041  -0.600
  159    H    LYS  24           HN       LYS  24  -4.229   1.615   1.369
  160    HA   LYS  24           HA       LYS  24  -2.761   2.868  -0.877
  161   1HB   LYS  24           HB2      LYS  24  -4.041   3.935   1.572
  162   2HB   LYS  24           HB1      LYS  24  -2.579   4.743   1.016
  163   1HG   LYS  24           HG2      LYS  24  -3.787   4.568  -1.338
  164   2HG   LYS  24           HG1      LYS  24  -5.231   4.495  -0.335
  165   1HD   LYS  24           HD2      LYS  24  -4.787   6.618   0.648
  166   2HD   LYS  24           HD1      LYS  24  -3.128   6.631   0.046
  167   1HE   LYS  24           HE2      LYS  24  -3.842   7.711  -1.797
  168   2HE   LYS  24           HE1      LYS  24  -4.811   6.297  -2.213
  169   1HZ   LYS  24           HZ1      LYS  24  -6.237   8.186  -2.057
  170   2HZ   LYS  24           HZ2      LYS  24  -5.639   8.587  -0.518
  171   3HZ   LYS  24           HZ3      LYS  24  -6.561   7.177  -0.735
  172   1H    CYS  25           H1       CYS  25   2.534   2.392   2.810
  173    H    CYS  25           HN       CYS  25  -0.556   3.532  -0.531
  174    HA   CYS  25           HA       CYS  25   0.998   1.647   0.964
  175   1HB   CYS  25           HB2      CYS  25   1.523   4.033  -0.663
  176   2HB   CYS  25           HB1      CYS  25   2.650   3.861   0.679
  Start of MODEL    8
    1   2H    CYS   1           HT2      CYS   1  12.032   3.056  -3.816
    2   3H    CYS   1           HT3      CYS   1  10.914   2.776  -5.066
    3    HA   CYS   1           HA       CYS   1   9.799   1.193  -3.367
    4   1HB   CYS   1           HB2      CYS   1  10.145   1.780  -1.084
    5   2HB   CYS   1           HB1      CYS   1  11.756   1.554  -1.762
    6    H    LYS   2           HN       LYS   2   7.947   2.274  -2.113
    7    HA   LYS   2           HA       LYS   2   7.351   4.914  -3.373
    8   1HB   LYS   2           HB2      LYS   2   5.625   2.502  -2.877
    9   2HB   LYS   2           HB1      LYS   2   4.902   4.105  -3.022
   10   1HG   LYS   2           HG2      LYS   2   6.899   3.276  -5.084
   11   2HG   LYS   2           HG1      LYS   2   5.284   2.573  -5.160
   12   1HD   LYS   2           HD2      LYS   2   4.248   4.681  -5.422
   13   2HD   LYS   2           HD1      LYS   2   5.674   5.548  -4.853
   14   1HE   LYS   2           HE2      LYS   2   6.143   5.843  -7.051
   15   2HE   LYS   2           HE1      LYS   2   6.665   4.158  -7.016
   16   1HZ   LYS   2           HZ1      LYS   2   3.997   5.202  -7.780
   17   2HZ   LYS   2           HZ2      LYS   2   4.321   3.552  -7.529
   18   3HZ   LYS   2           HZ3      LYS   2   5.111   4.397  -8.773
   19    H    GLY   3           HN       GLY   3   5.615   6.134  -2.079
   20   1HA   GLY   3           HA2      GLY   3   6.231   5.850   0.838
   21   2HA   GLY   3           HA1      GLY   3   5.877   7.392   0.054
   22    H    LYS   4           HN       LYS   4   4.263   6.980   2.143
   23    HA   LYS   4           HA       LYS   4   2.006   5.331   1.753
   24   1HB   LYS   4           HB2      LYS   4   1.125   6.403   3.595
   25   2HB   LYS   4           HB1      LYS   4   2.819   6.779   3.800
   26   1HG   LYS   4           HG2      LYS   4   2.263   8.892   2.366
   27   2HG   LYS   4           HG1      LYS   4   0.602   8.557   2.841
   28   1HD   LYS   4           HD2      LYS   4   1.674   8.356   5.258
   29   2HD   LYS   4           HD1      LYS   4   2.926   9.373   4.545
   30   1HE   LYS   4           HE2      LYS   4   0.799  10.729   3.666
   31   2HE   LYS   4           HE1      LYS   4   0.057   9.999   5.088
   32   1HZ   LYS   4           HZ1      LYS   4   2.479  11.708   5.002
   33   2HZ   LYS   4           HZ2      LYS   4   1.994  10.840   6.379
   34   3HZ   LYS   4           HZ3      LYS   4   0.995  12.060   5.745
   35    H    GLY   5           HN       GLY   5  -0.107   5.890   1.007
   36   1HA   GLY   5           HA2      GLY   5  -1.688   7.188  -0.233
   37   2HA   GLY   5           HA1      GLY   5  -0.417   8.368  -0.564
   38    H    ALA   6           HN       ALA   6   1.512   6.330  -1.442
   39    HA   ALA   6           HA       ALA   6   0.805   6.244  -4.222
   40   1HB   ALA   6           HB1      ALA   6   3.066   5.378  -2.541
   41   2HB   ALA   6           HB2      ALA   6   3.075   6.103  -4.147
   42   3HB   ALA   6           HB3      ALA   6   2.798   4.373  -3.964
   43    H    LYS   7           HN       LYS   7  -1.384   5.199  -3.590
   44    HA   LYS   7           HA       LYS   7  -2.181   2.869  -2.732
   45   1HB   LYS   7           HB2      LYS   7  -2.598   3.989  -5.470
   46   2HB   LYS   7           HB1      LYS   7  -3.315   2.432  -5.041
   47   1HG   LYS   7           HG2      LYS   7  -4.812   3.381  -3.659
   48   2HG   LYS   7           HG1      LYS   7  -3.613   4.445  -2.948
   49   1HD   LYS   7           HD2      LYS   7  -5.262   5.821  -4.087
   50   2HD   LYS   7           HD1      LYS   7  -3.756   5.883  -5.005
   51   1HE   LYS   7           HE2      LYS   7  -5.192   3.640  -5.972
   52   2HE   LYS   7           HE1      LYS   7  -6.348   4.968  -5.867
   53   1HZ   LYS   7           HZ1      LYS   7  -5.472   5.628  -7.790
   54   2HZ   LYS   7           HZ2      LYS   7  -4.112   4.625  -7.634
   55   3HZ   LYS   7           HZ3      LYS   7  -4.136   6.149  -6.886
   56    H    CYS   8           HN       CYS   8  -1.834   0.731  -2.844
   57    HA   CYS   8           HA       CYS   8   0.198  -0.179  -4.846
   58   1HB   CYS   8           HB2      CYS   8   1.511  -0.809  -3.124
   59   2HB   CYS   8           HB1      CYS   8   0.314  -0.215  -1.989
   60    H    SER   9           HN       SER   9   0.011  -2.826  -4.814
   61    HA   SER   9           HA       SER   9  -2.748  -3.324  -5.750
   62   1HB   SER   9           HB2      SER   9  -0.104  -4.286  -6.335
   63   2HB   SER   9           HB1      SER   9  -1.171  -5.636  -5.986
   64    HG   SER   9           HG       SER   9  -2.585  -4.866  -7.565
   65    H    ARG  10           HN       ARG  10  -2.153  -3.105  -2.901
   66    HA   ARG  10           HA       ARG  10  -3.096  -4.133  -0.991
   67   1HB   ARG  10           HB2      ARG  10  -4.544  -5.348  -2.777
   68   2HB   ARG  10           HB1      ARG  10  -3.418  -6.688  -2.555
   69   1HG   ARG  10           HG2      ARG  10  -3.898  -6.725  -0.150
   70   2HG   ARG  10           HG1      ARG  10  -4.982  -5.346  -0.331
   71   1HD   ARG  10           HD2      ARG  10  -5.657  -7.456  -2.210
   72   2HD   ARG  10           HD1      ARG  10  -5.683  -8.049  -0.549
   73    HE   ARG  10           HE       ARG  10  -7.061  -5.647  -0.419
   74   1HH1  ARG  10          HH21      ARG  10  -7.244  -8.542  -2.296
   75   2HH1  ARG  10          HH22      ARG  10  -8.956  -8.437  -2.525
   76   1HH2  ARG  10          HH11      ARG  10  -9.293  -5.502  -0.712
   77   2HH2  ARG  10          HH12      ARG  10 -10.116  -6.718  -1.630
   78    H    LEU  11           HN       LEU  11  -0.940  -6.190  -2.987
   79    HA   LEU  11           HA       LEU  11   0.776  -6.499  -0.598
   80   1HB   LEU  11           HB2      LEU  11  -0.844  -8.671  -1.809
   81   2HB   LEU  11           HB1      LEU  11   0.827  -9.072  -1.408
   82    HG   LEU  11           HG       LEU  11  -0.142  -7.592   0.783
   83   1HD1  LEU  11          HD11      LEU  11  -2.429  -7.939   0.069
   84   2HD1  LEU  11          HD12      LEU  11  -2.114  -9.018   1.428
   85   3HD1  LEU  11          HD13      LEU  11  -2.127  -9.653  -0.217
   86   1HD2  LEU  11          HD21      LEU  11   0.751 -10.344   0.150
   87   2HD2  LEU  11          HD22      LEU  11  -0.217 -10.191   1.617
   88   3HD2  LEU  11          HD23      LEU  11   1.272  -9.262   1.441
   89    H    MET  12           HN       MET  12   2.179  -5.176  -2.011
   90    HA   MET  12           HA       MET  12   3.582  -6.908  -4.000
   91   1HB   MET  12           HB2      MET  12   4.104  -4.397  -4.950
   92   2HB   MET  12           HB1      MET  12   2.840  -5.450  -5.577
   93   1HG   MET  12           HG2      MET  12   1.151  -4.271  -4.543
   94   2HG   MET  12           HG1      MET  12   2.180  -3.761  -3.206
   95   1HE   MET  12           HE1      MET  12   2.341  -4.050  -6.777
   96   2HE   MET  12           HE2      MET  12   3.329  -2.692  -7.306
   97   3HE   MET  12           HE3      MET  12   1.574  -2.557  -7.335
   98    H    TYR  13           HN       TYR  13   3.786  -5.061  -1.182
   99    HA   TYR  13           HA       TYR  13   5.606  -4.397   0.131
  100   1HB   TYR  13           HB2      TYR  13   7.424  -6.041  -1.601
  101   2HB   TYR  13           HB1      TYR  13   7.418  -5.859   0.153
  102    HD1  TYR  13           HD1      TYR  13   6.785  -8.143  -2.347
  103    HD2  TYR  13           HD2      TYR  13   4.944  -6.528   1.180
  104    HE1  TYR  13           HE1      TYR  13   5.390 -10.182  -2.141
  105    HE2  TYR  13           HE2      TYR  13   3.551  -8.566   1.388
  106    HH   TYR  13           HH       TYR  13   3.548 -11.053  -1.113
  107    H    ASP  14           HN       ASP  14   5.066  -2.407  -1.480
  108    HA   ASP  14           HA       ASP  14   7.651  -1.687  -2.806
  109   1HB   ASP  14           HB2      ASP  14   4.794  -1.113  -3.517
  110   2HB   ASP  14           HB1      ASP  14   6.035   0.059  -3.960
  111    H    CYS  15           HN       CYS  15   5.205  -0.787  -0.485
  112    HA   CYS  15           HA       CYS  15   5.823   1.971  -0.141
  113   1HB   CYS  15           HB2      CYS  15   5.182   0.115   2.154
  114   2HB   CYS  15           HB1      CYS  15   4.771   1.821   1.973
  115    H    CYS  16           HN       CYS  16   7.554   2.921   0.421
  116    HA   CYS  16           HA       CYS  16   9.994   1.659   1.073
  117   1HB   CYS  16           HB2      CYS  16   9.131   4.204   0.464
  118   2HB   CYS  16           HB1      CYS  16   9.640   4.361   2.134
  119    H    THR  17           HN       THR  17   7.242   2.425   3.014
  120    HA   THR  17           HA       THR  17   8.774   2.217   5.539
  121    HB   THR  17           HB       THR  17   6.775   2.937   6.631
  122    HG1  THR  17           HG1      THR  17   4.879   2.443   5.884
  123   1HG2  THR  17          HG21      THR  17   7.980   4.467   4.765
  124   2HG2  THR  17          HG22      THR  17   6.624   5.038   5.738
  125   3HG2  THR  17          HG23      THR  17   6.344   4.436   4.104
  126    H    GLY  18           HN       GLY  18   6.005   0.985   6.532
  127   1HA   GLY  18           HA2      GLY  18   6.968  -1.706   6.719
  128   2HA   GLY  18           HA1      GLY  18   5.332  -1.182   7.121
  129    H    SER  19           HN       SER  19   3.691  -1.416   5.569
  130    HA   SER  19           HA       SER  19   4.435  -2.376   2.867
  131   1HB   SER  19           HB2      SER  19   2.381  -3.969   4.357
  132   2HB   SER  19           HB1      SER  19   3.421  -4.460   3.023
  133    HG   SER  19           HG       SER  19   5.121  -4.620   4.416
  134    H    CYS  20           HN       CYS  20   1.996  -3.031   1.867
  135    HA   CYS  20           HA       CYS  20   0.700  -0.504   1.545
  136   1HB   CYS  20           HB2      CYS  20  -0.648  -3.169   1.070
  137   2HB   CYS  20           HB1      CYS  20  -0.903  -1.647   0.216
  138    H    ARG  21           HN       ARG  21  -1.154   0.344   2.521
  139    HA   ARG  21           HA       ARG  21  -2.378  -1.281   4.704
  140   1HB   ARG  21           HB2      ARG  21  -0.722   0.892   5.153
  141   2HB   ARG  21           HB1      ARG  21  -2.335   1.593   5.248
  142   1HG   ARG  21           HG2      ARG  21  -2.602  -0.793   6.636
  143   2HG   ARG  21           HG1      ARG  21  -0.994  -0.238   7.096
  144   1HD   ARG  21           HD2      ARG  21  -1.857   1.381   8.402
  145   2HD   ARG  21           HD1      ARG  21  -2.851   1.980   7.074
  146    HE   ARG  21           HE       ARG  21  -4.196  -0.285   7.925
  147   1HH1  ARG  21          HH21      ARG  21  -2.950   2.576   9.405
  148   2HH1  ARG  21          HH22      ARG  21  -4.168   2.626  10.635
  149   1HH2  ARG  21          HH11      ARG  21  -5.794  -0.223   9.523
  150   2HH2  ARG  21          HH12      ARG  21  -5.775   1.045  10.701
  151    H    SER  22           HN       SER  22  -4.569  -1.210   4.703
  152    HA   SER  22           HA       SER  22  -6.713  -0.821   3.804
  153   1HB   SER  22           HB2      SER  22  -7.468   1.314   4.253
  154   2HB   SER  22           HB1      SER  22  -5.952   1.363   5.148
  155    HG   SER  22           HG       SER  22  -6.199   3.159   3.742
  156    H    GLY  23           HN       GLY  23  -4.326  -1.113   1.908
  157   1HA   GLY  23           HA2      GLY  23  -4.514  -1.415  -0.481
  158   2HA   GLY  23           HA1      GLY  23  -5.788  -0.195  -0.507
  159    H    LYS  24           HN       LYS  24  -4.261   1.696   1.149
  160    HA   LYS  24           HA       LYS  24  -2.534   2.756  -0.997
  161   1HB   LYS  24           HB2      LYS  24  -3.480   4.019   1.588
  162   2HB   LYS  24           HB1      LYS  24  -2.587   4.847   0.310
  163   1HG   LYS  24           HG2      LYS  24  -4.482   5.192  -0.849
  164   2HG   LYS  24           HG1      LYS  24  -4.848   3.468  -0.827
  165   1HD   LYS  24           HD2      LYS  24  -5.967   3.646   1.288
  166   2HD   LYS  24           HD1      LYS  24  -5.395   5.296   1.523
  167   1HE   LYS  24           HE2      LYS  24  -6.659   5.537  -0.883
  168   2HE   LYS  24           HE1      LYS  24  -7.649   4.298  -0.112
  169   1HZ   LYS  24           HZ1      LYS  24  -7.091   7.047   0.806
  170   2HZ   LYS  24           HZ2      LYS  24  -7.610   5.849   1.895
  171   3HZ   LYS  24           HZ3      LYS  24  -8.591   6.289   0.578
  172   1H    CYS  25           H1       CYS  25   2.824   2.648   2.746
  173    H    CYS  25           HN       CYS  25  -0.326   3.314  -0.637
  174    HA   CYS  25           HA       CYS  25   1.140   1.539   1.045
  175   1HB   CYS  25           HB2      CYS  25   1.743   3.814  -0.709
  176   2HB   CYS  25           HB1      CYS  25   2.834   3.706   0.670
  Start of MODEL    9
    1   2H    CYS   1           HT2      CYS   1  10.670   2.817  -5.395
    2   3H    CYS   1           HT3      CYS   1  11.579   1.480  -4.871
    3    HA   CYS   1           HA       CYS   1   9.638   1.107  -3.746
    4   1HB   CYS   1           HB2      CYS   1  10.022   1.642  -1.448
    5   2HB   CYS   1           HB1      CYS   1  11.610   1.409  -2.174
    6    H    LYS   2           HN       LYS   2   7.774   2.062  -2.452
    7    HA   LYS   2           HA       LYS   2   7.049   4.684  -3.664
    8   1HB   LYS   2           HB2      LYS   2   5.335   2.378  -2.719
    9   2HB   LYS   2           HB1      LYS   2   4.679   3.947  -3.192
   10   1HG   LYS   2           HG2      LYS   2   6.440   2.246  -4.972
   11   2HG   LYS   2           HG1      LYS   2   4.680   2.260  -5.046
   12   1HD   LYS   2           HD2      LYS   2   4.768   4.072  -6.373
   13   2HD   LYS   2           HD1      LYS   2   5.532   4.968  -5.060
   14   1HE   LYS   2           HE2      LYS   2   7.375   5.087  -6.358
   15   2HE   LYS   2           HE1      LYS   2   7.579   3.360  -6.070
   16   1HZ   LYS   2           HZ1      LYS   2   7.144   2.979  -8.190
   17   2HZ   LYS   2           HZ2      LYS   2   6.978   4.646  -8.473
   18   3HZ   LYS   2           HZ3      LYS   2   5.624   3.715  -8.045
   19    H    GLY   3           HN       GLY   3   5.568   6.033  -2.300
   20   1HA   GLY   3           HA2      GLY   3   6.474   5.929   0.544
   21   2HA   GLY   3           HA1      GLY   3   5.938   7.391  -0.287
   22    H    LYS   4           HN       LYS   4   4.775   6.679   2.165
   23    HA   LYS   4           HA       LYS   4   2.504   5.075   2.131
   24   1HB   LYS   4           HB2      LYS   4   3.385   7.486   3.601
   25   2HB   LYS   4           HB1      LYS   4   1.675   7.109   3.678
   26   1HG   LYS   4           HG2      LYS   4   2.011   5.155   4.821
   27   2HG   LYS   4           HG1      LYS   4   3.556   4.845   4.045
   28   1HD   LYS   4           HD2      LYS   4   3.739   5.422   6.493
   29   2HD   LYS   4           HD1      LYS   4   4.659   6.490   5.433
   30   1HE   LYS   4           HE2      LYS   4   1.854   7.297   5.976
   31   2HE   LYS   4           HE1      LYS   4   2.969   7.408   7.337
   32   1HZ   LYS   4           HZ1      LYS   4   4.356   8.415   5.199
   33   2HZ   LYS   4           HZ2      LYS   4   3.651   9.310   6.460
   34   3HZ   LYS   4           HZ3      LYS   4   2.793   9.050   5.017
   35    H    GLY   5           HN       GLY   5   0.316   5.510   1.700
   36   1HA   GLY   5           HA2      GLY   5  -1.499   6.413   0.510
   37   2HA   GLY   5           HA1      GLY   5  -0.666   7.965   0.582
   38    H    ALA   6           HN       ALA   6   1.423   5.725  -0.772
   39    HA   ALA   6           HA       ALA   6   1.094   6.915  -3.412
   40   1HB   ALA   6           HB1      ALA   6   2.980   4.827  -2.311
   41   2HB   ALA   6           HB2      ALA   6   3.344   6.508  -2.697
   42   3HB   ALA   6           HB3      ALA   6   3.011   5.358  -3.993
   43    H    LYS   7           HN       LYS   7  -0.919   4.902  -2.159
   44    HA   LYS   7           HA       LYS   7  -2.298   3.220  -2.931
   45   1HB   LYS   7           HB2      LYS   7  -1.814   4.961  -5.059
   46   2HB   LYS   7           HB1      LYS   7  -1.626   3.334  -5.729
   47   1HG   LYS   7           HG2      LYS   7  -3.787   3.074  -4.037
   48   2HG   LYS   7           HG1      LYS   7  -4.028   4.661  -4.740
   49   1HD   LYS   7           HD2      LYS   7  -4.715   3.735  -6.674
   50   2HD   LYS   7           HD1      LYS   7  -3.173   2.888  -6.818
   51   1HE   LYS   7           HE2      LYS   7  -4.156   1.207  -5.120
   52   2HE   LYS   7           HE1      LYS   7  -5.716   1.939  -5.499
   53   1HZ   LYS   7           HZ1      LYS   7  -4.348   1.438  -7.893
   54   2HZ   LYS   7           HZ2      LYS   7  -5.802   0.751  -7.344
   55   3HZ   LYS   7           HZ3      LYS   7  -4.316   0.020  -6.962
   56    H    CYS   8           HN       CYS   8  -2.295   1.048  -3.541
   57    HA   CYS   8           HA       CYS   8   0.098  -0.110  -4.783
   58   1HB   CYS   8           HB2      CYS   8   1.197  -0.665  -2.885
   59   2HB   CYS   8           HB1      CYS   8  -0.081   0.034  -1.908
   60    H    SER   9           HN       SER   9  -0.269  -2.682  -4.714
   61    HA   SER   9           HA       SER   9  -3.063  -3.067  -5.594
   62   1HB   SER   9           HB2      SER   9  -0.496  -4.207  -6.279
   63   2HB   SER   9           HB1      SER   9  -1.637  -5.480  -5.853
   64    HG   SER   9           HG       SER   9  -2.516  -3.394  -7.494
   65    H    ARG  10           HN       ARG  10  -0.717  -4.688  -3.527
   66    HA   ARG  10           HA       ARG  10  -2.143  -4.970  -1.196
   67   1HB   ARG  10           HB2      ARG  10  -3.123  -7.358  -1.549
   68   2HB   ARG  10           HB1      ARG  10  -4.039  -5.984  -2.169
   69   1HG   ARG  10           HG2      ARG  10  -3.491  -6.440  -4.381
   70   2HG   ARG  10           HG1      ARG  10  -2.004  -7.283  -3.947
   71   1HD   ARG  10           HD2      ARG  10  -3.479  -9.081  -2.903
   72   2HD   ARG  10           HD1      ARG  10  -4.844  -8.292  -3.692
   73    HE   ARG  10           HE       ARG  10  -2.999  -8.667  -5.734
   74   1HH1  ARG  10          HH21      ARG  10  -4.566 -10.628  -3.362
   75   2HH1  ARG  10          HH22      ARG  10  -4.540 -12.056  -4.342
   76   1HH2  ARG  10          HH11      ARG  10  -2.961 -10.520  -7.017
   77   2HH2  ARG  10          HH12      ARG  10  -3.633 -11.995  -6.409
   78    H    LEU  11           HN       LEU  11  -0.017  -5.104  -0.428
   79    HA   LEU  11           HA       LEU  11   1.886  -6.234   0.357
   80   1HB   LEU  11           HB2      LEU  11   0.012  -8.418  -0.368
   81   2HB   LEU  11           HB1      LEU  11   1.715  -8.868  -0.298
   82    HG   LEU  11           HG       LEU  11   1.268  -7.237   1.958
   83   1HD1  LEU  11          HD11      LEU  11  -1.032  -7.443   2.116
   84   2HD1  LEU  11          HD12      LEU  11  -0.550  -8.918   2.954
   85   3HD1  LEU  11          HD13      LEU  11  -1.056  -8.988   1.267
   86   1HD2  LEU  11          HD21      LEU  11   2.814  -9.009   2.110
   87   2HD2  LEU  11          HD22      LEU  11   1.671 -10.183   1.456
   88   3HD2  LEU  11          HD23      LEU  11   1.469  -9.574   3.099
   89    H    MET  12           HN       MET  12   2.330  -4.895  -1.898
   90    HA   MET  12           HA       MET  12   3.511  -6.779  -3.873
   91   1HB   MET  12           HB2      MET  12   2.882  -3.822  -3.938
   92   2HB   MET  12           HB1      MET  12   3.877  -4.593  -5.173
   93   1HG   MET  12           HG2      MET  12   1.695  -6.299  -4.949
   94   2HG   MET  12           HG1      MET  12   0.980  -4.693  -4.799
   95   1HE   MET  12           HE1      MET  12   1.754  -6.994  -8.248
   96   2HE   MET  12           HE2      MET  12   0.196  -6.285  -7.835
   97   3HE   MET  12           HE3      MET  12   1.092  -7.191  -6.618
   98    H    TYR  13           HN       TYR  13   4.399  -4.967  -1.165
   99    HA   TYR  13           HA       TYR  13   6.508  -4.588  -0.210
  100   1HB   TYR  13           HB2      TYR  13   7.660  -6.000  -2.629
  101   2HB   TYR  13           HB1      TYR  13   8.397  -5.816  -1.036
  102    HD1  TYR  13           HD1      TYR  13   7.116  -8.239  -2.988
  103    HD2  TYR  13           HD2      TYR  13   6.362  -6.483   0.859
  104    HE1  TYR  13           HE1      TYR  13   6.035 -10.340  -2.242
  105    HE2  TYR  13           HE2      TYR  13   5.280  -8.584   1.606
  106    HH   TYR  13           HH       TYR  13   5.616 -11.482   0.034
  107    H    ASP  14           HN       ASP  14   5.244  -2.741  -2.132
  108    HA   ASP  14           HA       ASP  14   7.605  -1.533  -3.475
  109   1HB   ASP  14           HB2      ASP  14   4.625  -1.068  -3.671
  110   2HB   ASP  14           HB1      ASP  14   5.788   0.063  -4.365
  111    H    CYS  15           HN       CYS  15   5.197  -0.914  -0.967
  112    HA   CYS  15           HA       CYS  15   5.786   1.801  -0.398
  113   1HB   CYS  15           HB2      CYS  15   5.190  -0.310   1.688
  114   2HB   CYS  15           HB1      CYS  15   4.840   1.417   1.767
  115    H    CYS  16           HN       CYS  16   7.507   2.738   0.194
  116    HA   CYS  16           HA       CYS  16   9.975   1.446   0.756
  117   1HB   CYS  16           HB2      CYS  16   9.097   4.001   0.185
  118   2HB   CYS  16           HB1      CYS  16   9.659   4.138   1.840
  119    H    THR  17           HN       THR  17   7.228   1.993   2.722
  120    HA   THR  17           HA       THR  17   8.766   1.123   5.109
  121    HB   THR  17           HB       THR  17   8.560   3.653   5.109
  122    HG1  THR  17           HG1      THR  17   7.034   2.555   7.196
  123   1HG2  THR  17          HG21      THR  17   6.059   3.244   4.187
  124   2HG2  THR  17          HG22      THR  17   6.519   4.696   5.076
  125   3HG2  THR  17          HG23      THR  17   5.712   3.369   5.911
  126    H    GLY  18           HN       GLY  18   7.398   0.145   6.742
  127   1HA   GLY  18           HA2      GLY  18   5.714  -1.433   7.244
  128   2HA   GLY  18           HA1      GLY  18   4.657  -0.070   6.876
  129    H    SER  19           HN       SER  19   3.039  -1.301   5.857
  130    HA   SER  19           HA       SER  19   3.826  -2.404   3.195
  131   1HB   SER  19           HB2      SER  19   2.129  -4.209   3.541
  132   2HB   SER  19           HB1      SER  19   3.473  -4.311   4.675
  133    HG   SER  19           HG       SER  19   1.453  -4.513   5.723
  134    H    CYS  20           HN       CYS  20   1.281  -3.051   2.285
  135    HA   CYS  20           HA       CYS  20   0.212  -0.436   1.658
  136   1HB   CYS  20           HB2      CYS  20  -1.107  -3.130   1.233
  137   2HB   CYS  20           HB1      CYS  20  -1.467  -1.633   0.377
  138    H    ARG  21           HN       ARG  21  -1.333   0.688   2.757
  139    HA   ARG  21           HA       ARG  21  -2.833  -0.765   4.887
  140   1HB   ARG  21           HB2      ARG  21  -1.172   1.173   5.421
  141   2HB   ARG  21           HB1      ARG  21  -2.466   2.214   4.831
  142   1HG   ARG  21           HG2      ARG  21  -3.244   2.089   6.949
  143   2HG   ARG  21           HG1      ARG  21  -3.831   0.498   6.474
  144   1HD   ARG  21           HD2      ARG  21  -1.061   0.283   7.150
  145   2HD   ARG  21           HD1      ARG  21  -1.882   1.124   8.462
  146    HE   ARG  21           HE       ARG  21  -2.023  -1.662   7.976
  147   1HH1  ARG  21          HH21      ARG  21  -4.172   1.003   8.507
  148   2HH1  ARG  21          HH22      ARG  21  -5.506  -0.008   8.937
  149   1HH2  ARG  21          HH11      ARG  21  -3.754  -2.968   8.551
  150   2HH2  ARG  21          HH12      ARG  21  -5.271  -2.244   8.969
  151    H    SER  22           HN       SER  22  -4.969  -0.920   4.533
  152    HA   SER  22           HA       SER  22  -7.090  -0.559   3.584
  153   1HB   SER  22           HB2      SER  22  -6.195   1.875   4.582
  154   2HB   SER  22           HB1      SER  22  -6.675   2.263   2.932
  155    HG   SER  22           HG       SER  22  -8.302   2.184   4.810
  156    H    GLY  23           HN       GLY  23  -4.484  -0.817   1.829
  157   1HA   GLY  23           HA2      GLY  23  -4.754  -1.460  -0.544
  158   2HA   GLY  23           HA1      GLY  23  -5.886  -0.120  -0.717
  159    H    LYS  24           HN       LYS  24  -4.255   1.785   0.772
  160    HA   LYS  24           HA       LYS  24  -2.320   2.400  -1.370
  161   1HB   LYS  24           HB2      LYS  24  -3.026   4.134   1.002
  162   2HB   LYS  24           HB1      LYS  24  -2.314   4.640  -0.532
  163   1HG   LYS  24           HG2      LYS  24  -4.361   4.923  -1.421
  164   2HG   LYS  24           HG1      LYS  24  -4.776   3.248  -1.054
  165   1HD   LYS  24           HD2      LYS  24  -4.832   4.621   1.415
  166   2HD   LYS  24           HD1      LYS  24  -5.668   5.660   0.261
  167   1HE   LYS  24           HE2      LYS  24  -6.959   3.588  -0.475
  168   2HE   LYS  24           HE1      LYS  24  -6.289   2.779   0.941
  169   1HZ   LYS  24           HZ1      LYS  24  -7.307   4.364   2.367
  170   2HZ   LYS  24           HZ2      LYS  24  -8.505   3.814   1.295
  171   3HZ   LYS  24           HZ3      LYS  24  -7.787   5.336   1.063
  172   1H    CYS  25           H1       CYS  25   2.558   2.175   2.994
  173    H    CYS  25           HN       CYS  25  -0.158   3.311  -0.660
  174    HA   CYS  25           HA       CYS  25   1.198   1.404   0.985
  175   1HB   CYS  25           HB2      CYS  25   1.903   3.938  -0.399
  176   2HB   CYS  25           HB1      CYS  25   2.950   3.462   0.937
  Start of MODEL   10
    1   2H    CYS   1           HT2      CYS   1  12.354   2.172  -4.198
    2   3H    CYS   1           HT3      CYS   1  11.642   3.667  -4.583
    3    HA   CYS   1           HA       CYS   1   9.898   1.522  -3.613
    4   1HB   CYS   1           HB2      CYS   1  10.469   1.821  -1.355
    5   2HB   CYS   1           HB1      CYS   1  12.041   1.731  -2.149
    6    H    LYS   2           HN       LYS   2   8.509   2.908  -1.811
    7    HA   LYS   2           HA       LYS   2   7.992   5.609  -2.890
    8   1HB   LYS   2           HB2      LYS   2   6.215   3.239  -3.140
    9   2HB   LYS   2           HB1      LYS   2   5.451   4.779  -2.743
   10   1HG   LYS   2           HG2      LYS   2   7.333   5.377  -4.742
   11   2HG   LYS   2           HG1      LYS   2   6.557   3.886  -5.263
   12   1HD   LYS   2           HD2      LYS   2   4.576   5.697  -4.206
   13   2HD   LYS   2           HD1      LYS   2   5.521   6.508  -5.453
   14   1HE   LYS   2           HE2      LYS   2   5.173   4.351  -6.837
   15   2HE   LYS   2           HE1      LYS   2   3.889   3.985  -5.684
   16   1HZ   LYS   2           HZ1      LYS   2   3.954   6.657  -6.873
   17   2HZ   LYS   2           HZ2      LYS   2   2.623   5.717  -6.391
   18   3HZ   LYS   2           HZ3      LYS   2   3.429   5.372  -7.847
   19    H    GLY   3           HN       GLY   3   6.308   6.752  -1.519
   20   1HA   GLY   3           HA2      GLY   3   6.700   5.976   1.333
   21   2HA   GLY   3           HA1      GLY   3   6.268   7.595   0.771
   22    H    LYS   4           HN       LYS   4   4.519   7.087   2.562
   23    HA   LYS   4           HA       LYS   4   2.458   5.223   2.057
   24   1HB   LYS   4           HB2      LYS   4   1.474   6.142   3.886
   25   2HB   LYS   4           HB1      LYS   4   3.005   6.973   4.055
   26   1HG   LYS   4           HG2      LYS   4   2.130   8.904   2.847
   27   2HG   LYS   4           HG1      LYS   4   0.601   8.076   2.587
   28   1HD   LYS   4           HD2      LYS   4   0.922   7.856   5.317
   29   2HD   LYS   4           HD1      LYS   4   1.591   9.454   4.988
   30   1HE   LYS   4           HE2      LYS   4  -0.632   9.573   3.449
   31   2HE   LYS   4           HE1      LYS   4  -1.202   8.478   4.710
   32   1HZ   LYS   4           HZ1      LYS   4  -1.409  10.187   6.078
   33   2HZ   LYS   4           HZ2      LYS   4  -0.918  11.247   4.844
   34   3HZ   LYS   4           HZ3      LYS   4   0.232  10.576   5.901
   35    H    GLY   5           HN       GLY   5   0.269   5.692   1.270
   36   1HA   GLY   5           HA2      GLY   5  -1.287   6.793  -0.158
   37   2HA   GLY   5           HA1      GLY   5  -0.077   8.040  -0.468
   38    H    ALA   6           HN       ALA   6   1.792   5.549  -0.945
   39    HA   ALA   6           HA       ALA   6   1.530   5.607  -3.830
   40   1HB   ALA   6           HB1      ALA   6   3.473   4.237  -3.861
   41   2HB   ALA   6           HB2      ALA   6   3.159   3.621  -2.239
   42   3HB   ALA   6           HB3      ALA   6   3.683   5.290  -2.463
   43    H    LYS   7           HN       LYS   7  -0.884   4.849  -3.286
   44    HA   LYS   7           HA       LYS   7  -2.016   2.617  -2.603
   45   1HB   LYS   7           HB2      LYS   7  -2.110   3.923  -5.277
   46   2HB   LYS   7           HB1      LYS   7  -2.959   2.387  -5.064
   47   1HG   LYS   7           HG2      LYS   7  -4.429   3.250  -3.545
   48   2HG   LYS   7           HG1      LYS   7  -3.267   4.396  -2.909
   49   1HD   LYS   7           HD2      LYS   7  -4.160   4.792  -5.727
   50   2HD   LYS   7           HD1      LYS   7  -5.327   5.165  -4.459
   51   1HE   LYS   7           HE2      LYS   7  -3.679   6.653  -3.377
   52   2HE   LYS   7           HE1      LYS   7  -2.517   6.289  -4.654
   53   1HZ   LYS   7           HZ1      LYS   7  -4.499   7.035  -6.164
   54   2HZ   LYS   7           HZ2      LYS   7  -3.456   8.182  -5.470
   55   3HZ   LYS   7           HZ3      LYS   7  -4.975   7.880  -4.773
   56    H    CYS   8           HN       CYS   8  -1.799   0.494  -2.642
   57    HA   CYS   8           HA       CYS   8   0.127  -0.673  -4.617
   58   1HB   CYS   8           HB2      CYS   8   1.352  -1.395  -2.855
   59   2HB   CYS   8           HB1      CYS   8   0.205  -0.666  -1.745
   60    H    SER   9           HN       SER   9  -0.383  -3.288  -4.557
   61    HA   SER   9           HA       SER   9  -3.233  -3.434  -5.314
   62   1HB   SER   9           HB2      SER   9  -0.926  -4.573  -6.377
   63   2HB   SER   9           HB1      SER   9  -1.722  -5.912  -5.556
   64    HG   SER   9           HG       SER   9  -3.242  -4.157  -7.131
   65    H    ARG  10           HN       ARG  10  -0.991  -5.419  -3.429
   66    HA   ARG  10           HA       ARG  10  -2.576  -5.530  -1.084
   67   1HB   ARG  10           HB2      ARG  10  -3.686  -7.686  -1.269
   68   2HB   ARG  10           HB1      ARG  10  -4.196  -6.679  -2.620
   69   1HG   ARG  10           HG2      ARG  10  -2.176  -7.792  -3.871
   70   2HG   ARG  10           HG1      ARG  10  -2.317  -9.027  -2.619
   71   1HD   ARG  10           HD2      ARG  10  -4.718  -8.113  -4.207
   72   2HD   ARG  10           HD1      ARG  10  -3.659  -9.395  -4.793
   73    HE   ARG  10           HE       ARG  10  -4.273 -10.189  -2.214
   74   1HH1  ARG  10          HH21      ARG  10  -6.060  -9.195  -5.000
   75   2HH1  ARG  10          HH22      ARG  10  -7.426 -10.198  -4.639
   76   1HH2  ARG  10          HH11      ARG  10  -6.054 -11.496  -1.735
   77   2HH2  ARG  10          HH12      ARG  10  -7.424 -11.494  -2.795
   78    H    LEU  11           HN       LEU  11   0.281  -5.738  -2.186
   79    HA   LEU  11           HA       LEU  11   1.554  -7.027  -0.126
   80   1HB   LEU  11           HB2      LEU  11   0.286  -8.977  -1.878
   81   2HB   LEU  11           HB1      LEU  11   2.026  -9.244  -1.735
   82    HG   LEU  11           HG       LEU  11   0.747  -8.556   0.810
   83   1HD1  LEU  11          HD11      LEU  11   0.164 -11.338  -0.086
   84   2HD1  LEU  11          HD12      LEU  11  -0.896 -10.061  -0.679
   85   3HD1  LEU  11          HD13      LEU  11  -0.711 -10.316   1.056
   86   1HD2  LEU  11          HD21      LEU  11   2.673  -9.569   1.402
   87   2HD2  LEU  11          HD22      LEU  11   2.943 -10.102  -0.256
   88   3HD2  LEU  11          HD23      LEU  11   1.995 -11.099   0.847
   89    H    MET  12           HN       MET  12   1.515  -6.188  -3.485
   90    HA   MET  12           HA       MET  12   3.958  -6.841  -4.532
   91   1HB   MET  12           HB2      MET  12   2.459  -4.234  -4.584
   92   2HB   MET  12           HB1      MET  12   4.030  -4.364  -5.377
   93   1HG   MET  12           HG2      MET  12   2.275  -6.629  -5.977
   94   2HG   MET  12           HG1      MET  12   1.598  -5.086  -6.500
   95   1HE   MET  12           HE1      MET  12   4.540  -7.604  -8.584
   96   2HE   MET  12           HE2      MET  12   3.067  -7.914  -7.664
   97   3HE   MET  12           HE3      MET  12   4.585  -7.630  -6.814
   98    H    TYR  13           HN       TYR  13   3.416  -4.697  -1.810
   99    HA   TYR  13           HA       TYR  13   4.922  -3.817  -0.248
  100   1HB   TYR  13           HB2      TYR  13   6.354  -6.114  -1.450
  101   2HB   TYR  13           HB1      TYR  13   7.372  -4.919  -0.645
  102    HD1  TYR  13           HD1      TYR  13   6.448  -4.068   1.693
  103    HD2  TYR  13           HD2      TYR  13   5.386  -7.795  -0.158
  104    HE1  TYR  13           HE1      TYR  13   5.763  -4.966   3.898
  105    HE2  TYR  13           HE2      TYR  13   4.700  -8.696   2.047
  106    HH   TYR  13           HH       TYR  13   5.515  -7.941   4.675
  107    H    ASP  14           HN       ASP  14   4.547  -1.975  -2.027
  108    HA   ASP  14           HA       ASP  14   7.154  -1.269  -3.279
  109   1HB   ASP  14           HB2      ASP  14   4.643   0.355  -3.564
  110   2HB   ASP  14           HB1      ASP  14   5.982   0.176  -4.697
  111    H    CYS  15           HN       CYS  15   5.215  -0.608  -0.550
  112    HA   CYS  15           HA       CYS  15   5.956   2.144  -0.073
  113   1HB   CYS  15           HB2      CYS  15   5.552   0.229   2.204
  114   2HB   CYS  15           HB1      CYS  15   5.014   1.897   2.037
  115    H    CYS  16           HN       CYS  16   7.809   2.927   0.410
  116    HA   CYS  16           HA       CYS  16  10.228   1.556   0.496
  117   1HB   CYS  16           HB2      CYS  16   9.466   4.159   0.555
  118   2HB   CYS  16           HB1      CYS  16  10.049   3.953   2.199
  119    H    THR  17           HN       THR  17   8.369   2.724   3.342
  120    HA   THR  17           HA       THR  17   9.609   0.494   4.890
  121    HB   THR  17           HB       THR  17  10.869   2.503   5.471
  122    HG1  THR  17           HG1      THR  17  10.666   1.469   7.307
  123   1HG2  THR  17          HG21      THR  17   9.481   4.304   4.863
  124   2HG2  THR  17          HG22      THR  17   9.478   4.369   6.626
  125   3HG2  THR  17          HG23      THR  17   8.107   3.668   5.767
  126    H    GLY  18           HN       GLY  18   7.195  -0.011   4.005
  127   1HA   GLY  18           HA2      GLY  18   5.545  -0.170   6.342
  128   2HA   GLY  18           HA1      GLY  18   4.937   1.105   5.284
  129    H    SER  19           HN       SER  19   3.073  -0.609   5.357
  130    HA   SER  19           HA       SER  19   3.493  -2.469   3.054
  131   1HB   SER  19           HB2      SER  19   1.538  -2.990   5.295
  132   2HB   SER  19           HB1      SER  19   2.151  -4.126   4.097
  133    HG   SER  19           HG       SER  19   3.711  -2.822   6.085
  134    H    CYS  20           HN       CYS  20   0.901  -3.228   2.602
  135    HA   CYS  20           HA       CYS  20  -0.257  -0.732   1.550
  136   1HB   CYS  20           HB2      CYS  20  -1.415  -3.518   1.308
  137   2HB   CYS  20           HB1      CYS  20  -1.665  -2.143   0.235
  138    H    ARG  21           HN       ARG  21  -1.520   0.419   2.970
  139    HA   ARG  21           HA       ARG  21  -3.341  -1.125   4.771
  140   1HB   ARG  21           HB2      ARG  21  -1.745   0.194   6.045
  141   2HB   ARG  21           HB1      ARG  21  -2.143   1.636   5.108
  142   1HG   ARG  21           HG2      ARG  21  -3.403   1.844   7.097
  143   2HG   ARG  21           HG1      ARG  21  -4.561   1.277   5.899
  144   1HD   ARG  21           HD2      ARG  21  -3.205  -0.953   7.176
  145   2HD   ARG  21           HD1      ARG  21  -3.991   0.077   8.371
  146    HE   ARG  21           HE       ARG  21  -5.910  -0.257   6.387
  147   1HH1  ARG  21          HH21      ARG  21  -3.943  -2.292   8.366
  148   2HH1  ARG  21          HH22      ARG  21  -5.090  -3.587   8.399
  149   1HH2  ARG  21          HH11      ARG  21  -7.413  -1.944   6.424
  150   2HH2  ARG  21          HH12      ARG  21  -7.052  -3.392   7.301
  151    H    SER  22           HN       SER  22  -5.502  -0.855   4.401
  152    HA   SER  22           HA       SER  22  -7.476  -0.044   3.420
  153   1HB   SER  22           HB2      SER  22  -6.161   2.148   4.601
  154   2HB   SER  22           HB1      SER  22  -6.650   2.701   3.000
  155    HG   SER  22           HG       SER  22  -8.408   1.262   4.678
  156    H    GLY  23           HN       GLY  23  -5.049  -0.822   1.756
  157   1HA   GLY  23           HA2      GLY  23  -4.905  -1.122  -0.605
  158   2HA   GLY  23           HA1      GLY  23  -6.148   0.112  -0.813
  159    H    LYS  24           HN       LYS  24  -4.229   1.596   1.274
  160    HA   LYS  24           HA       LYS  24  -2.558   2.797  -0.880
  161   1HB   LYS  24           HB2      LYS  24  -3.432   4.015   1.753
  162   2HB   LYS  24           HB1      LYS  24  -2.553   4.838   0.462
  163   1HG   LYS  24           HG2      LYS  24  -4.405   5.009  -0.876
  164   2HG   LYS  24           HG1      LYS  24  -5.083   3.485  -0.307
  165   1HD   LYS  24           HD2      LYS  24  -6.166   4.467   1.459
  166   2HD   LYS  24           HD1      LYS  24  -4.900   5.674   1.695
  167   1HE   LYS  24           HE2      LYS  24  -5.868   6.376  -0.772
  168   2HE   LYS  24           HE1      LYS  24  -7.331   5.800   0.027
  169   1HZ   LYS  24           HZ1      LYS  24  -5.521   7.983   0.852
  170   2HZ   LYS  24           HZ2      LYS  24  -6.564   7.237   1.965
  171   3HZ   LYS  24           HZ3      LYS  24  -7.198   8.034   0.605
  172   1H    CYS  25           H1       CYS  25   2.460   1.862   3.066
  173    H    CYS  25           HN       CYS  25  -0.350   3.143  -0.482
  174    HA   CYS  25           HA       CYS  25   1.037   1.264   1.108
  175   1HB   CYS  25           HB2      CYS  25   1.711   3.652  -0.436
  176   2HB   CYS  25           HB1      CYS  25   2.737   3.475   0.984
  Start of MODEL   11
    1   2H    CYS   1           HT2      CYS   1  12.080   1.729  -4.342
    2   3H    CYS   1           HT3      CYS   1  12.286   3.270  -3.659
    3    HA   CYS   1           HA       CYS   1  10.077   1.367  -3.330
    4   1HB   CYS   1           HB2      CYS   1  10.339   1.906  -1.031
    5   2HB   CYS   1           HB1      CYS   1  11.975   1.738  -1.665
    6    H    LYS   2           HN       LYS   2   8.132   2.328  -2.176
    7    HA   LYS   2           HA       LYS   2   7.508   4.985  -3.379
    8   1HB   LYS   2           HB2      LYS   2   5.853   2.513  -2.981
    9   2HB   LYS   2           HB1      LYS   2   5.068   4.092  -3.061
   10   1HG   LYS   2           HG2      LYS   2   7.104   3.430  -5.146
   11   2HG   LYS   2           HG1      LYS   2   5.520   2.670  -5.257
   12   1HD   LYS   2           HD2      LYS   2   4.403   4.764  -5.395
   13   2HD   LYS   2           HD1      LYS   2   5.835   5.646  -4.867
   14   1HE   LYS   2           HE2      LYS   2   5.519   4.152  -7.487
   15   2HE   LYS   2           HE1      LYS   2   5.564   5.904  -7.284
   16   1HZ   LYS   2           HZ1      LYS   2   7.728   3.973  -7.218
   17   2HZ   LYS   2           HZ2      LYS   2   7.808   5.198  -6.043
   18   3HZ   LYS   2           HZ3      LYS   2   7.739   5.602  -7.692
   19    H    GLY   3           HN       GLY   3   5.904   6.272  -2.136
   20   1HA   GLY   3           HA2      GLY   3   6.474   6.045   0.776
   21   2HA   GLY   3           HA1      GLY   3   5.885   7.496  -0.038
   22    H    LYS   4           HN       LYS   4   4.562   6.631   2.246
   23    HA   LYS   4           HA       LYS   4   2.432   4.827   1.804
   24   1HB   LYS   4           HB2      LYS   4   1.728   5.447   3.892
   25   2HB   LYS   4           HB1      LYS   4   3.358   6.076   3.963
   26   1HG   LYS   4           HG2      LYS   4   2.441   8.286   3.137
   27   2HG   LYS   4           HG1      LYS   4   0.827   7.621   3.374
   28   1HD   LYS   4           HD2      LYS   4   2.914   7.690   5.566
   29   2HD   LYS   4           HD1      LYS   4   1.725   8.971   5.330
   30   1HE   LYS   4           HE2      LYS   4   0.553   7.649   6.819
   31   2HE   LYS   4           HE1      LYS   4   0.044   6.895   5.309
   32   1HZ   LYS   4           HZ1      LYS   4   0.987   5.017   5.950
   33   2HZ   LYS   4           HZ2      LYS   4   1.431   5.729   7.427
   34   3HZ   LYS   4           HZ3      LYS   4   2.493   5.779   6.102
   35    H    GLY   5           HN       GLY   5   0.147   5.353   1.556
   36   1HA   GLY   5           HA2      GLY   5  -1.657   6.422   0.500
   37   2HA   GLY   5           HA1      GLY   5  -0.734   7.921   0.588
   38    H    ALA   6           HN       ALA   6   1.274   5.762  -0.914
   39    HA   ALA   6           HA       ALA   6   0.782   6.978  -3.510
   40   1HB   ALA   6           HB1      ALA   6   2.760   5.698  -4.231
   41   2HB   ALA   6           HB2      ALA   6   2.754   4.833  -2.694
   42   3HB   ALA   6           HB3      ALA   6   3.077   6.567  -2.727
   43    H    LYS   7           HN       LYS   7  -1.129   4.898  -2.239
   44    HA   LYS   7           HA       LYS   7  -2.478   3.182  -2.988
   45   1HB   LYS   7           HB2      LYS   7  -2.131   4.971  -5.095
   46   2HB   LYS   7           HB1      LYS   7  -1.891   3.369  -5.807
   47   1HG   LYS   7           HG2      LYS   7  -3.982   2.974  -4.058
   48   2HG   LYS   7           HG1      LYS   7  -4.318   4.563  -4.716
   49   1HD   LYS   7           HD2      LYS   7  -5.371   3.031  -6.217
   50   2HD   LYS   7           HD1      LYS   7  -3.893   3.551  -7.029
   51   1HE   LYS   7           HE2      LYS   7  -3.989   1.162  -7.249
   52   2HE   LYS   7           HE1      LYS   7  -2.759   1.507  -6.032
   53   1HZ   LYS   7           HZ1      LYS   7  -5.586   0.920  -5.364
   54   2HZ   LYS   7           HZ2      LYS   7  -4.262   0.990  -4.302
   55   3HZ   LYS   7           HZ3      LYS   7  -4.382  -0.274  -5.432
   56    H    CYS   8           HN       CYS   8  -2.414   1.023  -3.559
   57    HA   CYS   8           HA       CYS   8  -0.500  -0.292  -5.127
   58   1HB   CYS   8           HB2      CYS   8   0.926  -1.245  -3.162
   59   2HB   CYS   8           HB1      CYS   8   1.318   0.347  -3.803
   60    H    SER   9           HN       SER   9  -0.218  -2.722  -4.267
   61    HA   SER   9           HA       SER   9  -2.962  -3.584  -3.551
   62   1HB   SER   9           HB2      SER   9  -1.906  -4.667  -5.484
   63   2HB   SER   9           HB1      SER   9  -0.534  -5.147  -4.490
   64    HG   SER   9           HG       SER   9  -3.038  -5.858  -3.541
   65    H    ARG  10           HN       ARG  10  -3.331  -5.051  -1.768
   66    HA   ARG  10           HA       ARG  10  -2.204  -4.509   0.681
   67   1HB   ARG  10           HB2      ARG  10  -3.156  -7.195  -0.352
   68   2HB   ARG  10           HB1      ARG  10  -2.794  -6.878   1.346
   69   1HG   ARG  10           HG2      ARG  10  -4.445  -4.749   0.459
   70   2HG   ARG  10           HG1      ARG  10  -5.184  -6.239  -0.127
   71   1HD   ARG  10           HD2      ARG  10  -4.381  -5.637   2.734
   72   2HD   ARG  10           HD1      ARG  10  -6.027  -5.753   2.111
   73    HE   ARG  10           HE       ARG  10  -4.885  -8.204   1.476
   74   1HH1  ARG  10          HH21      ARG  10  -5.321  -6.281   4.312
   75   2HH1  ARG  10          HH22      ARG  10  -5.373  -7.640   5.381
   76   1HH2  ARG  10          HH11      ARG  10  -4.951  -9.983   2.862
   77   2HH2  ARG  10          HH12      ARG  10  -5.162  -9.733   4.563
   78    H    LEU  11           HN       LEU  11  -0.929  -6.705  -1.773
   79    HA   LEU  11           HA       LEU  11   1.412  -7.370  -0.101
   80   1HB   LEU  11           HB2      LEU  11   0.531  -8.138  -2.894
   81   2HB   LEU  11           HB1      LEU  11   2.128  -8.555  -2.269
   82    HG   LEU  11           HG       LEU  11   0.515  -9.340  -0.198
   83   1HD1  LEU  11          HD11      LEU  11  -0.987  -9.611  -2.798
   84   2HD1  LEU  11          HD12      LEU  11  -1.581  -9.036  -1.239
   85   3HD1  LEU  11          HD13      LEU  11  -1.244 -10.752  -1.477
   86   1HD2  LEU  11          HD21      LEU  11   1.115 -11.545  -0.832
   87   2HD2  LEU  11          HD22      LEU  11   2.386 -10.537  -1.526
   88   3HD2  LEU  11          HD23      LEU  11   1.085 -11.146  -2.550
   89    H    MET  12           HN       MET  12   2.285  -6.964  -3.367
   90    HA   MET  12           HA       MET  12   3.943  -5.512  -4.227
   91   1HB   MET  12           HB2      MET  12   1.605  -3.827  -3.361
   92   2HB   MET  12           HB1      MET  12   3.023  -3.068  -4.087
   93   1HG   MET  12           HG2      MET  12   2.782  -4.802  -5.969
   94   2HG   MET  12           HG1      MET  12   1.181  -5.130  -5.306
   95   1HE   MET  12           HE1      MET  12  -0.382  -4.041  -7.551
   96   2HE   MET  12           HE2      MET  12   1.216  -4.711  -7.866
   97   3HE   MET  12           HE3      MET  12   0.760  -3.167  -8.581
   98    H    TYR  13           HN       TYR  13   5.416  -6.091  -2.378
   99    HA   TYR  13           HA       TYR  13   5.604  -4.339  -0.087
  100   1HB   TYR  13           HB2      TYR  13   7.588  -6.295  -1.282
  101   2HB   TYR  13           HB1      TYR  13   7.807  -5.473   0.264
  102    HD1  TYR  13           HD1      TYR  13   5.666  -7.869  -1.596
  103    HD2  TYR  13           HD2      TYR  13   6.623  -6.161   2.225
  104    HE1  TYR  13           HE1      TYR  13   4.277  -9.589  -0.479
  105    HE2  TYR  13           HE2      TYR  13   5.235  -7.882   3.344
  106    HH   TYR  13           HH       TYR  13   4.102  -9.795   3.065
  107    H    ASP  14           HN       ASP  14   5.459  -2.631  -2.180
  108    HA   ASP  14           HA       ASP  14   8.214  -1.785  -2.878
  109   1HB   ASP  14           HB2      ASP  14   5.523  -0.673  -3.738
  110   2HB   ASP  14           HB1      ASP  14   7.090  -0.163  -4.365
  111    H    CYS  15           HN       CYS  15   5.457  -0.883  -0.912
  112    HA   CYS  15           HA       CYS  15   5.928   1.788  -0.274
  113   1HB   CYS  15           HB2      CYS  15   5.375  -0.359   1.788
  114   2HB   CYS  15           HB1      CYS  15   4.955   1.349   1.891
  115    H    CYS  16           HN       CYS  16   7.550   2.858   0.449
  116    HA   CYS  16           HA       CYS  16  10.073   1.701   1.083
  117   1HB   CYS  16           HB2      CYS  16   9.138   4.174   0.413
  118   2HB   CYS  16           HB1      CYS  16   9.505   4.392   2.114
  119    H    THR  17           HN       THR  17   7.273   1.853   2.994
  120    HA   THR  17           HA       THR  17   8.943   1.432   5.426
  121    HB   THR  17           HB       THR  17   7.829   3.010   6.702
  122    HG1  THR  17           HG1      THR  17   5.732   2.554   4.884
  123   1HG2  THR  17          HG21      THR  17   9.009   4.074   4.720
  124   2HG2  THR  17          HG22      THR  17   7.762   5.068   5.473
  125   3HG2  THR  17          HG23      THR  17   7.425   4.225   3.961
  126    H    GLY  18           HN       GLY  18   7.289  -0.353   3.584
  127   1HA   GLY  18           HA2      GLY  18   6.455  -2.369   5.118
  128   2HA   GLY  18           HA1      GLY  18   5.161  -1.223   5.461
  129    H    SER  19           HN       SER  19   3.387  -1.649   4.267
  130    HA   SER  19           HA       SER  19   3.699  -2.155   1.366
  131   1HB   SER  19           HB2      SER  19   3.658  -4.411   2.174
  132   2HB   SER  19           HB1      SER  19   2.370  -4.048   3.321
  133    HG   SER  19           HG       SER  19   2.179  -4.852   0.788
  134    H    CYS  20           HN       CYS  20   1.002  -2.772   0.853
  135    HA   CYS  20           HA       CYS  20  -0.191  -0.137   1.199
  136   1HB   CYS  20           HB2      CYS  20  -0.512  -2.283  -0.594
  137   2HB   CYS  20           HB1      CYS  20  -2.066  -2.093   0.216
  138    H    ARG  21           HN       ARG  21  -1.681   0.482   2.635
  139    HA   ARG  21           HA       ARG  21  -2.949  -1.614   4.345
  140   1HB   ARG  21           HB2      ARG  21  -1.422  -0.311   5.713
  141   2HB   ARG  21           HB1      ARG  21  -2.076   1.195   5.074
  142   1HG   ARG  21           HG2      ARG  21  -4.303   0.583   6.029
  143   2HG   ARG  21           HG1      ARG  21  -3.557  -0.835   6.764
  144   1HD   ARG  21           HD2      ARG  21  -2.943   2.072   7.332
  145   2HD   ARG  21           HD1      ARG  21  -3.583   0.871   8.452
  146    HE   ARG  21           HE       ARG  21  -1.152  -0.195   7.658
  147   1HH1  ARG  21          HH21      ARG  21  -2.255   2.818   8.936
  148   2HH1  ARG  21          HH22      ARG  21  -0.790   3.135   9.802
  149   1HH2  ARG  21          HH11      ARG  21   0.765   0.210   8.786
  150   2HH2  ARG  21          HH12      ARG  21   0.917   1.660   9.718
  151    H    SER  22           HN       SER  22  -5.029  -1.741   3.742
  152    HA   SER  22           HA       SER  22  -7.250  -1.003   3.380
  153   1HB   SER  22           HB2      SER  22  -6.380   1.057   4.765
  154   2HB   SER  22           HB1      SER  22  -6.335   1.848   3.192
  155    HG   SER  22           HG       SER  22  -8.372   1.910   4.500
  156    H    GLY  23           HN       GLY  23  -4.529   0.082   1.455
  157   1HA   GLY  23           HA2      GLY  23  -5.249  -0.722  -1.002
  158   2HA   GLY  23           HA1      GLY  23  -6.257   0.716  -0.846
  159    H    LYS  24           HN       LYS  24  -3.837   1.742   0.935
  160    HA   LYS  24           HA       LYS  24  -2.108   2.495  -1.381
  161   1HB   LYS  24           HB2      LYS  24  -2.900   4.357   0.869
  162   2HB   LYS  24           HB1      LYS  24  -1.967   4.766  -0.572
  163   1HG   LYS  24           HG2      LYS  24  -3.818   4.593  -1.979
  164   2HG   LYS  24           HG1      LYS  24  -4.696   3.565  -0.854
  165   1HD   LYS  24           HD2      LYS  24  -5.147   5.402   0.619
  166   2HD   LYS  24           HD1      LYS  24  -4.015   6.447  -0.240
  167   1HE   LYS  24           HE2      LYS  24  -5.507   6.086  -2.304
  168   2HE   LYS  24           HE1      LYS  24  -6.703   5.441  -1.179
  169   1HZ   LYS  24           HZ1      LYS  24  -5.710   8.173  -1.478
  170   2HZ   LYS  24           HZ2      LYS  24  -6.102   7.651   0.092
  171   3HZ   LYS  24           HZ3      LYS  24  -7.277   7.622  -1.135
  172   1H    CYS  25           H1       CYS  25   2.684   2.060   2.963
  173    H    CYS  25           HN       CYS  25   0.075   3.079  -0.832
  174    HA   CYS  25           HA       CYS  25   1.348   1.311   0.952
  175   1HB   CYS  25           HB2      CYS  25   2.114   3.802  -0.469
  176   2HB   CYS  25           HB1      CYS  25   3.126   3.359   0.902
  Start of MODEL   12
    1   2H    CYS   1           HT2      CYS   1  11.020   2.712  -5.121
    2   3H    CYS   1           HT3      CYS   1  11.977   1.492  -4.425
    3    HA   CYS   1           HA       CYS   1   9.959   1.183  -3.371
    4   1HB   CYS   1           HB2      CYS   1  10.361   1.753  -1.105
    5   2HB   CYS   1           HB1      CYS   1  11.966   1.598  -1.821
    6    H    LYS   2           HN       LYS   2   8.183   2.351  -1.976
    7    HA   LYS   2           HA       LYS   2   7.530   4.933  -3.319
    8   1HB   LYS   2           HB2      LYS   2   5.739   2.587  -2.672
    9   2HB   LYS   2           HB1      LYS   2   5.119   4.178  -3.105
   10   1HG   LYS   2           HG2      LYS   2   7.173   2.889  -4.866
   11   2HG   LYS   2           HG1      LYS   2   5.495   2.359  -4.970
   12   1HD   LYS   2           HD2      LYS   2   4.735   4.455  -5.686
   13   2HD   LYS   2           HD1      LYS   2   6.150   5.292  -5.045
   14   1HE   LYS   2           HE2      LYS   2   7.562   4.174  -6.755
   15   2HE   LYS   2           HE1      LYS   2   6.120   3.409  -7.422
   16   1HZ   LYS   2           HZ1      LYS   2   6.865   6.261  -7.418
   17   2HZ   LYS   2           HZ2      LYS   2   5.237   5.795  -7.568
   18   3HZ   LYS   2           HZ3      LYS   2   6.378   5.287  -8.720
   19    H    GLY   3           HN       GLY   3   5.711   6.095  -2.039
   20   1HA   GLY   3           HA2      GLY   3   6.311   5.827   0.885
   21   2HA   GLY   3           HA1      GLY   3   6.003   7.381   0.105
   22    H    LYS   4           HN       LYS   4   4.356   6.837   2.212
   23    HA   LYS   4           HA       LYS   4   2.065   5.294   1.658
   24   1HB   LYS   4           HB2      LYS   4   1.149   6.279   3.541
   25   2HB   LYS   4           HB1      LYS   4   2.855   6.528   3.828
   26   1HG   LYS   4           HG2      LYS   4   2.445   8.776   2.519
   27   2HG   LYS   4           HG1      LYS   4   0.772   8.510   3.000
   28   1HD   LYS   4           HD2      LYS   4   1.280   8.618   5.298
   29   2HD   LYS   4           HD1      LYS   4   2.998   8.328   5.021
   30   1HE   LYS   4           HE2      LYS   4   1.469  10.823   4.225
   31   2HE   LYS   4           HE1      LYS   4   2.615  10.694   5.561
   32   1HZ   LYS   4           HZ1      LYS   4   3.116  11.036   2.769
   33   2HZ   LYS   4           HZ2      LYS   4   3.969   9.711   3.405
   34   3HZ   LYS   4           HZ3      LYS   4   4.160  11.254   4.088
   35    H    GLY   5           HN       GLY   5  -0.049   6.000   0.965
   36   1HA   GLY   5           HA2      GLY   5  -1.540   7.524  -0.166
   37   2HA   GLY   5           HA1      GLY   5  -0.155   8.558  -0.537
   38    H    ALA   6           HN       ALA   6   1.487   6.275  -1.403
   39    HA   ALA   6           HA       ALA   6   0.594   6.184  -4.175
   40   1HB   ALA   6           HB1      ALA   6   3.040   5.761  -2.762
   41   2HB   ALA   6           HB2      ALA   6   2.796   5.838  -4.507
   42   3HB   ALA   6           HB3      ALA   6   2.682   4.291  -3.669
   43    H    LYS   7           HN       LYS   7  -1.488   5.141  -3.580
   44    HA   LYS   7           HA       LYS   7  -2.139   2.810  -2.431
   45   1HB   LYS   7           HB2      LYS   7  -3.811   2.440  -4.114
   46   2HB   LYS   7           HB1      LYS   7  -3.588   4.188  -3.982
   47   1HG   LYS   7           HG2      LYS   7  -1.660   3.311  -5.832
   48   2HG   LYS   7           HG1      LYS   7  -3.144   2.473  -6.257
   49   1HD   LYS   7           HD2      LYS   7  -3.570   5.297  -5.583
   50   2HD   LYS   7           HD1      LYS   7  -2.530   5.062  -6.989
   51   1HE   LYS   7           HE2      LYS   7  -4.738   3.226  -7.135
   52   2HE   LYS   7           HE1      LYS   7  -5.356   4.857  -6.878
   53   1HZ   LYS   7           HZ1      LYS   7  -5.079   4.436  -9.219
   54   2HZ   LYS   7           HZ2      LYS   7  -3.449   4.012  -8.992
   55   3HZ   LYS   7           HZ3      LYS   7  -3.960   5.611  -8.722
   56    H    CYS   8           HN       CYS   8  -2.039   0.571  -2.874
   57    HA   CYS   8           HA       CYS   8  -0.033  -0.211  -4.934
   58   1HB   CYS   8           HB2      CYS   8   1.362  -0.999  -3.348
   59   2HB   CYS   8           HB1      CYS   8   0.304  -0.313  -2.128
   60    H    SER   9           HN       SER   9  -0.184  -2.856  -4.993
   61    HA   SER   9           HA       SER   9  -2.991  -3.361  -5.796
   62   1HB   SER   9           HB2      SER   9  -0.338  -4.396  -6.442
   63   2HB   SER   9           HB1      SER   9  -1.559  -5.649  -6.277
   64    HG   SER   9           HG       SER   9  -1.169  -3.992  -8.311
   65    H    ARG  10           HN       ARG  10  -2.356  -3.233  -2.987
   66    HA   ARG  10           HA       ARG  10  -2.732  -4.430  -0.996
   67   1HB   ARG  10           HB2      ARG  10  -4.359  -5.894  -3.059
   68   2HB   ARG  10           HB1      ARG  10  -4.223  -6.551  -1.428
   69   1HG   ARG  10           HG2      ARG  10  -5.573  -4.958  -0.553
   70   2HG   ARG  10           HG1      ARG  10  -4.795  -3.669  -1.473
   71   1HD   ARG  10           HD2      ARG  10  -6.090  -5.072  -3.443
   72   2HD   ARG  10           HD1      ARG  10  -7.217  -5.231  -2.101
   73    HE   ARG  10           HE       ARG  10  -6.872  -2.903  -3.690
   74   1HH1  ARG  10          HH21      ARG  10  -6.983  -3.788  -0.342
   75   2HH1  ARG  10          HH22      ARG  10  -7.305  -2.176   0.193
   76   1HH2  ARG  10          HH11      ARG  10  -7.318  -0.820  -2.992
   77   2HH2  ARG  10          HH12      ARG  10  -7.512  -0.506  -1.300
   78    H    LEU  11           HN       LEU  11  -0.586  -5.061  -0.612
   79    HA   LEU  11           HA       LEU  11   0.926  -6.786  -0.001
   80   1HB   LEU  11           HB2      LEU  11  -1.241  -8.299  -0.724
   81   2HB   LEU  11           HB1      LEU  11  -0.050  -8.788  -1.931
   82    HG   LEU  11           HG       LEU  11   1.150  -8.575   0.704
   83   1HD1  LEU  11          HD11      LEU  11  -1.500  -9.565   0.703
   84   2HD1  LEU  11          HD12      LEU  11  -0.317  -9.676   2.007
   85   3HD1  LEU  11          HD13      LEU  11  -0.447 -10.974   0.822
   86   1HD2  LEU  11          HD21      LEU  11   1.763  -9.848  -1.543
   87   2HD2  LEU  11          HD22      LEU  11   0.794 -11.133  -0.819
   88   3HD2  LEU  11          HD23      LEU  11   2.220 -10.524   0.022
   89    H    MET  12           HN       MET  12   1.898  -4.960  -1.501
   90    HA   MET  12           HA       MET  12   3.079  -6.306  -3.898
   91   1HB   MET  12           HB2      MET  12   2.038  -3.564  -3.456
   92   2HB   MET  12           HB1      MET  12   3.559  -3.664  -4.341
   93   1HG   MET  12           HG2      MET  12   2.385  -5.492  -5.749
   94   2HG   MET  12           HG1      MET  12   0.889  -4.864  -5.060
   95   1HE   MET  12           HE1      MET  12   3.882  -3.461  -7.888
   96   2HE   MET  12           HE2      MET  12   2.462  -4.144  -8.679
   97   3HE   MET  12           HE3      MET  12   3.267  -5.048  -7.399
   98    H    TYR  13           HN       TYR  13   3.638  -4.722  -0.879
   99    HA   TYR  13           HA       TYR  13   5.603  -4.339   0.335
  100   1HB   TYR  13           HB2      TYR  13   6.554  -6.363  -1.696
  101   2HB   TYR  13           HB1      TYR  13   7.630  -5.697  -0.470
  102    HD1  TYR  13           HD1      TYR  13   7.819  -8.143   0.262
  103    HD2  TYR  13           HD2      TYR  13   4.183  -5.876   0.556
  104    HE1  TYR  13           HE1      TYR  13   6.940  -9.765   1.915
  105    HE2  TYR  13           HE2      TYR  13   3.304  -7.498   2.210
  106    HH   TYR  13           HH       TYR  13   5.074 -10.458   2.996
  107    H    ASP  14           HN       ASP  14   4.972  -2.328  -1.440
  108    HA   ASP  14           HA       ASP  14   7.599  -1.663  -2.699
  109   1HB   ASP  14           HB2      ASP  14   4.777  -0.806  -3.347
  110   2HB   ASP  14           HB1      ASP  14   6.180   0.081  -3.946
  111    H    CYS  15           HN       CYS  15   5.104  -0.563  -0.464
  112    HA   CYS  15           HA       CYS  15   5.896   2.124  -0.087
  113   1HB   CYS  15           HB2      CYS  15   5.263   0.390   2.292
  114   2HB   CYS  15           HB1      CYS  15   4.836   2.074   1.999
  115    H    CYS  16           HN       CYS  16   7.700   2.966   0.395
  116    HA   CYS  16           HA       CYS  16  10.111   1.665   0.882
  117   1HB   CYS  16           HB2      CYS  16   9.295   4.248   0.516
  118   2HB   CYS  16           HB1      CYS  16   9.832   4.277   2.183
  119    H    THR  17           HN       THR  17   7.580   2.495   3.168
  120    HA   THR  17           HA       THR  17   9.236   1.216   5.301
  121    HB   THR  17           HB       THR  17   7.886   2.883   6.840
  122    HG1  THR  17           HG1      THR  17   6.932   3.629   4.659
  123   1HG2  THR  17          HG21      THR  17   9.810   4.639   5.985
  124   2HG2  THR  17          HG22      THR  17  10.424   3.109   5.361
  125   3HG2  THR  17          HG23      THR  17  10.104   3.295   7.085
  126    H    GLY  18           HN       GLY  18   8.188  -0.642   5.791
  127   1HA   GLY  18           HA2      GLY  18   6.410  -1.903   6.751
  128   2HA   GLY  18           HA1      GLY  18   5.338  -0.522   6.516
  129    H    SER  19           HN       SER  19   3.685  -1.498   5.371
  130    HA   SER  19           HA       SER  19   4.388  -2.429   2.638
  131   1HB   SER  19           HB2      SER  19   2.509  -4.210   3.035
  132   2HB   SER  19           HB1      SER  19   4.133  -4.535   3.631
  133    HG   SER  19           HG       SER  19   3.446  -3.730   5.663
  134    H    CYS  20           HN       CYS  20   1.877  -3.020   1.711
  135    HA   CYS  20           HA       CYS  20   0.714  -0.455   1.291
  136   1HB   CYS  20           HB2      CYS  20  -0.786  -3.069   1.049
  137   2HB   CYS  20           HB1      CYS  20  -1.008  -1.597   0.104
  138    H    ARG  21           HN       ARG  21  -1.307   0.392   2.096
  139    HA   ARG  21           HA       ARG  21  -2.144  -0.787   4.714
  140   1HB   ARG  21           HB2      ARG  21  -0.889   1.569   4.484
  141   2HB   ARG  21           HB1      ARG  21  -2.542   2.119   4.243
  142   1HG   ARG  21           HG2      ARG  21  -3.197   0.960   6.345
  143   2HG   ARG  21           HG1      ARG  21  -1.512   0.502   6.594
  144   1HD   ARG  21           HD2      ARG  21  -0.959   2.558   7.357
  145   2HD   ARG  21           HD1      ARG  21  -1.828   3.360   6.049
  146    HE   ARG  21           HE       ARG  21  -3.843   2.447   7.716
  147   1HH1  ARG  21          HH21      ARG  21  -0.970   4.336   8.069
  148   2HH1  ARG  21          HH22      ARG  21  -1.601   5.282   9.375
  149   1HH2  ARG  21          HH11      ARG  21  -4.673   3.679   9.415
  150   2HH2  ARG  21          HH12      ARG  21  -3.694   4.914  10.133
  151    H    SER  22           HN       SER  22  -4.048  -1.691   4.312
  152    HA   SER  22           HA       SER  22  -6.200  -2.041   3.398
  153   1HB   SER  22           HB2      SER  22  -6.107   0.354   4.906
  154   2HB   SER  22           HB1      SER  22  -7.079   0.704   3.478
  155    HG   SER  22           HG       SER  22  -8.094  -1.434   4.033
  156    H    GLY  23           HN       GLY  23  -4.006  -1.186   1.509
  157   1HA   GLY  23           HA2      GLY  23  -4.448  -1.261  -0.930
  158   2HA   GLY  23           HA1      GLY  23  -5.799  -0.165  -0.652
  159    H    LYS  24           HN       LYS  24  -4.163   1.438   1.283
  160    HA   LYS  24           HA       LYS  24  -2.661   2.987  -0.763
  161   1HB   LYS  24           HB2      LYS  24  -3.562   3.859   1.986
  162   2HB   LYS  24           HB1      LYS  24  -2.898   4.891   0.721
  163   1HG   LYS  24           HG2      LYS  24  -4.867   5.002  -0.386
  164   2HG   LYS  24           HG1      LYS  24  -5.185   3.281  -0.168
  165   1HD   LYS  24           HD2      LYS  24  -5.559   4.027   2.358
  166   2HD   LYS  24           HD1      LYS  24  -5.912   5.581   1.602
  167   1HE   LYS  24           HE2      LYS  24  -7.807   4.798   0.551
  168   2HE   LYS  24           HE1      LYS  24  -7.171   3.159   0.398
  169   1HZ   LYS  24           HZ1      LYS  24  -7.348   3.513   3.077
  170   2HZ   LYS  24           HZ2      LYS  24  -8.485   2.696   2.116
  171   3HZ   LYS  24           HZ3      LYS  24  -8.721   4.330   2.511
  172   1H    CYS  25           H1       CYS  25   2.741   2.647   2.797
  173    H    CYS  25           HN       CYS  25  -0.470   3.277  -0.572
  174    HA   CYS  25           HA       CYS  25   1.081   1.591   1.105
  175   1HB   CYS  25           HB2      CYS  25   1.595   3.792  -0.740
  176   2HB   CYS  25           HB1      CYS  25   2.695   3.829   0.637
  Start of MODEL   13
    1   2H    CYS   1           HT2      CYS   1  10.700   3.082  -5.579
    2   3H    CYS   1           HT3      CYS   1  11.474   1.592  -5.314
    3    HA   CYS   1           HA       CYS   1   9.722   1.133  -4.019
    4   1HB   CYS   1           HB2      CYS   1  10.075   1.740  -1.723
    5   2HB   CYS   1           HB1      CYS   1  11.668   1.563  -2.456
    6    H    LYS   2           HN       LYS   2   7.946   2.170  -2.478
    7    HA   LYS   2           HA       LYS   2   6.952   4.609  -3.883
    8   1HB   LYS   2           HB2      LYS   2   5.480   2.282  -2.632
    9   2HB   LYS   2           HB1      LYS   2   4.676   3.783  -3.091
   10   1HG   LYS   2           HG2      LYS   2   6.392   2.241  -5.036
   11   2HG   LYS   2           HG1      LYS   2   4.677   1.895  -4.829
   12   1HD   LYS   2           HD2      LYS   2   5.543   4.730  -5.274
   13   2HD   LYS   2           HD1      LYS   2   5.456   3.635  -6.653
   14   1HE   LYS   2           HE2      LYS   2   3.088   3.118  -5.325
   15   2HE   LYS   2           HE1      LYS   2   3.285   4.857  -5.105
   16   1HZ   LYS   2           HZ1      LYS   2   2.662   3.386  -7.477
   17   2HZ   LYS   2           HZ2      LYS   2   3.979   4.435  -7.704
   18   3HZ   LYS   2           HZ3      LYS   2   2.489   5.042  -7.158
   19    H    GLY   3           HN       GLY   3   5.403   5.916  -2.436
   20   1HA   GLY   3           HA2      GLY   3   6.662   6.149   0.264
   21   2HA   GLY   3           HA1      GLY   3   5.882   7.479  -0.596
   22    H    LYS   4           HN       LYS   4   5.004   7.100   1.945
   23    HA   LYS   4           HA       LYS   4   2.916   5.225   2.302
   24   1HB   LYS   4           HB2      LYS   4   3.633   6.184   4.291
   25   2HB   LYS   4           HB1      LYS   4   3.788   7.781   3.569
   26   1HG   LYS   4           HG2      LYS   4   1.641   8.325   3.972
   27   2HG   LYS   4           HG1      LYS   4   1.070   6.709   3.597
   28   1HD   LYS   4           HD2      LYS   4   0.718   7.221   5.987
   29   2HD   LYS   4           HD1      LYS   4   1.876   5.904   5.787
   30   1HE   LYS   4           HE2      LYS   4   3.296   8.396   5.706
   31   2HE   LYS   4           HE1      LYS   4   2.267   8.379   7.137
   32   1HZ   LYS   4           HZ1      LYS   4   3.675   6.988   8.093
   33   2HZ   LYS   4           HZ2      LYS   4   4.669   7.010   6.715
   34   3HZ   LYS   4           HZ3      LYS   4   3.434   5.851   6.858
   35    H    GLY   5           HN       GLY   5   0.684   5.481   2.014
   36   1HA   GLY   5           HA2      GLY   5  -1.279   6.229   0.971
   37   2HA   GLY   5           HA1      GLY   5  -0.599   7.853   1.067
   38    H    ALA   6           HN       ALA   6   1.563   5.848  -0.556
   39    HA   ALA   6           HA       ALA   6   0.960   7.153  -3.089
   40   1HB   ALA   6           HB1      ALA   6   2.935   4.916  -2.853
   41   2HB   ALA   6           HB2      ALA   6   3.283   6.451  -2.058
   42   3HB   ALA   6           HB3      ALA   6   3.037   6.398  -3.803
   43    H    LYS   7           HN       LYS   7  -0.868   4.983  -1.862
   44    HA   LYS   7           HA       LYS   7  -2.184   3.255  -2.631
   45   1HB   LYS   7           HB2      LYS   7  -1.956   5.136  -4.672
   46   2HB   LYS   7           HB1      LYS   7  -1.700   3.571  -5.459
   47   1HG   LYS   7           HG2      LYS   7  -3.733   3.094  -3.626
   48   2HG   LYS   7           HG1      LYS   7  -4.126   4.667  -4.295
   49   1HD   LYS   7           HD2      LYS   7  -3.249   2.691  -6.298
   50   2HD   LYS   7           HD1      LYS   7  -4.767   2.288  -5.494
   51   1HE   LYS   7           HE2      LYS   7  -5.736   3.689  -6.986
   52   2HE   LYS   7           HE1      LYS   7  -5.052   4.990  -6.010
   53   1HZ   LYS   7           HZ1      LYS   7  -3.729   5.532  -7.679
   54   2HZ   LYS   7           HZ2      LYS   7  -4.446   4.332  -8.645
   55   3HZ   LYS   7           HZ3      LYS   7  -3.067   3.971  -7.721
   56    H    CYS   8           HN       CYS   8  -2.128   1.136  -3.371
   57    HA   CYS   8           HA       CYS   8   0.289   0.151  -4.738
   58   1HB   CYS   8           HB2      CYS   8   1.389  -0.509  -2.870
   59   2HB   CYS   8           HB1      CYS   8   0.089   0.105  -1.864
   60    H    SER   9           HN       SER   9  -0.063  -2.509  -4.705
   61    HA   SER   9           HA       SER   9  -2.786  -2.830  -5.798
   62   1HB   SER   9           HB2      SER   9  -0.201  -4.251  -6.041
   63   2HB   SER   9           HB1      SER   9  -1.634  -5.274  -6.070
   64    HG   SER   9           HG       SER   9  -1.345  -4.640  -8.145
   65    H    ARG  10           HN       ARG  10  -0.749  -4.919  -3.822
   66    HA   ARG  10           HA       ARG  10  -2.166  -4.984  -1.441
   67   1HB   ARG  10           HB2      ARG  10  -3.634  -7.033  -1.770
   68   2HB   ARG  10           HB1      ARG  10  -4.215  -5.575  -2.571
   69   1HG   ARG  10           HG2      ARG  10  -4.249  -6.751  -4.494
   70   2HG   ARG  10           HG1      ARG  10  -2.486  -6.785  -4.426
   71   1HD   ARG  10           HD2      ARG  10  -2.632  -9.025  -4.216
   72   2HD   ARG  10           HD1      ARG  10  -3.299  -8.752  -2.608
   73    HE   ARG  10           HE       ARG  10  -5.482  -8.489  -4.312
   74   1HH1  ARG  10          HH21      ARG  10  -3.035 -10.846  -3.686
   75   2HH1  ARG  10          HH22      ARG  10  -4.040 -12.190  -4.114
   76   1HH2  ARG  10          HH11      ARG  10  -6.801 -10.234  -4.869
   77   2HH2  ARG  10          HH12      ARG  10  -6.169 -11.845  -4.778
   78    H    LEU  11           HN       LEU  11  -0.404  -5.749  -0.395
   79    HA   LEU  11           HA       LEU  11   1.164  -7.317   0.378
   80   1HB   LEU  11           HB2      LEU  11  -0.821  -8.921  -1.052
   81   2HB   LEU  11           HB1      LEU  11   0.792  -9.627  -1.126
   82    HG   LEU  11           HG       LEU  11   0.406  -8.679   1.530
   83   1HD1  LEU  11          HD11      LEU  11  -1.561 -10.437   1.923
   84   2HD1  LEU  11          HD12      LEU  11  -1.985  -9.966   0.278
   85   3HD1  LEU  11          HD13      LEU  11  -1.905  -8.748   1.551
   86   1HD2  LEU  11          HD21      LEU  11   0.101 -11.512   1.368
   87   2HD2  LEU  11          HD22      LEU  11   1.554 -10.602   1.780
   88   3HD2  LEU  11          HD23      LEU  11   1.227 -11.026   0.101
   89    H    MET  12           HN       MET  12   1.932  -5.508  -1.595
   90    HA   MET  12           HA       MET  12   3.617  -7.158  -3.432
   91   1HB   MET  12           HB2      MET  12   2.768  -4.251  -3.618
   92   2HB   MET  12           HB1      MET  12   3.840  -5.060  -4.762
   93   1HG   MET  12           HG2      MET  12   1.017  -5.968  -4.133
   94   2HG   MET  12           HG1      MET  12   1.461  -4.997  -5.535
   95   1HE   MET  12           HE1      MET  12   0.542  -8.189  -7.086
   96   2HE   MET  12           HE2      MET  12  -0.103  -7.025  -5.931
   97   3HE   MET  12           HE3      MET  12   0.355  -8.636  -5.385
   98    H    TYR  13           HN       TYR  13   3.640  -4.884  -0.810
   99    HA   TYR  13           HA       TYR  13   5.405  -4.059   0.488
  100   1HB   TYR  13           HB2      TYR  13   7.114  -6.063  -1.004
  101   2HB   TYR  13           HB1      TYR  13   7.431  -5.360   0.581
  102    HD1  TYR  13           HD1      TYR  13   6.444  -8.280  -0.902
  103    HD2  TYR  13           HD2      TYR  13   5.130  -5.556   2.146
  104    HE1  TYR  13           HE1      TYR  13   5.146 -10.101   0.164
  105    HE2  TYR  13           HE2      TYR  13   3.829  -7.377   3.212
  106    HH   TYR  13           HH       TYR  13   3.246  -9.512   3.129
  107    H    ASP  14           HN       ASP  14   4.825  -2.450  -1.605
  108    HA   ASP  14           HA       ASP  14   7.411  -1.869  -2.969
  109   1HB   ASP  14           HB2      ASP  14   4.619  -0.789  -3.476
  110   2HB   ASP  14           HB1      ASP  14   6.055  -0.372  -4.412
  111    H    CYS  15           HN       CYS  15   5.269  -0.753  -0.499
  112    HA   CYS  15           HA       CYS  15   6.017   2.023  -0.447
  113   1HB   CYS  15           HB2      CYS  15   5.365   0.434   2.028
  114   2HB   CYS  15           HB1      CYS  15   4.992   2.119   1.660
  115    H    CYS  16           HN       CYS  16   7.812   2.887  -0.048
  116    HA   CYS  16           HA       CYS  16  10.230   1.631   0.538
  117   1HB   CYS  16           HB2      CYS  16   9.287   4.221   0.107
  118   2HB   CYS  16           HB1      CYS  16  10.037   4.284   1.686
  119    H    THR  17           HN       THR  17   7.605   2.456   2.659
  120    HA   THR  17           HA       THR  17   9.134   1.322   4.940
  121    HB   THR  17           HB       THR  17   7.719   3.246   6.227
  122    HG1  THR  17           HG1      THR  17   8.241   5.156   4.860
  123   1HG2  THR  17          HG21      THR  17  10.020   2.956   6.696
  124   2HG2  THR  17          HG22      THR  17   9.908   4.601   6.069
  125   3HG2  THR  17          HG23      THR  17  10.487   3.298   5.030
  126    H    GLY  18           HN       GLY  18   7.808   0.166   6.390
  127   1HA   GLY  18           HA2      GLY  18   5.910  -1.037   7.062
  128   2HA   GLY  18           HA1      GLY  18   4.970   0.358   6.537
  129    H    SER  19           HN       SER  19   3.325  -0.869   5.526
  130    HA   SER  19           HA       SER  19   4.121  -2.027   2.911
  131   1HB   SER  19           HB2      SER  19   2.256  -3.494   4.788
  132   2HB   SER  19           HB1      SER  19   2.910  -4.071   3.256
  133    HG   SER  19           HG       SER  19   4.101  -3.852   5.767
  134    H    CYS  20           HN       CYS  20   1.582  -2.982   2.176
  135    HA   CYS  20           HA       CYS  20   0.233  -0.471   1.601
  136   1HB   CYS  20           HB2      CYS  20  -0.834  -3.270   1.132
  137   2HB   CYS  20           HB1      CYS  20  -1.308  -1.791   0.299
  138    H    ARG  21           HN       ARG  21  -1.926   0.082   2.246
  139    HA   ARG  21           HA       ARG  21  -3.114  -1.460   4.476
  140   1HB   ARG  21           HB2      ARG  21  -1.663   0.167   5.595
  141   2HB   ARG  21           HB1      ARG  21  -2.392   1.479   4.669
  142   1HG   ARG  21           HG2      ARG  21  -4.094   1.628   6.132
  143   2HG   ARG  21           HG1      ARG  21  -4.456  -0.088   5.938
  144   1HD   ARG  21           HD2      ARG  21  -2.812  -0.689   7.613
  145   2HD   ARG  21           HD1      ARG  21  -2.250   0.978   7.719
  146    HE   ARG  21           HE       ARG  21  -4.933   1.164   8.355
  147   1HH1  ARG  21          HH21      ARG  21  -2.247  -0.729   9.425
  148   2HH1  ARG  21          HH22      ARG  21  -2.834  -0.879  11.047
  149   1HH2  ARG  21          HH11      ARG  21  -5.706   0.974  10.467
  150   2HH2  ARG  21          HH12      ARG  21  -4.790   0.085  11.637
  151    H    SER  22           HN       SER  22  -5.158  -1.746   3.814
  152    HA   SER  22           HA       SER  22  -7.273  -1.314   2.908
  153   1HB   SER  22           HB2      SER  22  -6.450   1.579   3.274
  154   2HB   SER  22           HB1      SER  22  -8.086   0.982   3.038
  155    HG   SER  22           HG       SER  22  -6.339   0.550   5.224
  156    H    GLY  23           HN       GLY  23  -4.590  -1.119   1.282
  157   1HA   GLY  23           HA2      GLY  23  -4.596  -1.324  -1.153
  158   2HA   GLY  23           HA1      GLY  23  -5.943  -0.186  -1.206
  159    H    LYS  24           HN       LYS  24  -4.041   1.145   1.037
  160    HA   LYS  24           HA       LYS  24  -2.569   2.774  -0.974
  161   1HB   LYS  24           HB2      LYS  24  -3.439   3.536   1.826
  162   2HB   LYS  24           HB1      LYS  24  -2.657   4.600   0.655
  163   1HG   LYS  24           HG2      LYS  24  -4.545   4.745  -0.682
  164   2HG   LYS  24           HG1      LYS  24  -5.156   3.177  -0.162
  165   1HD   LYS  24           HD2      LYS  24  -4.979   5.526   1.729
  166   2HD   LYS  24           HD1      LYS  24  -6.402   5.239   0.725
  167   1HE   LYS  24           HE2      LYS  24  -5.752   2.749   1.899
  168   2HE   LYS  24           HE1      LYS  24  -5.644   3.946   3.190
  169   1HZ   LYS  24           HZ1      LYS  24  -7.859   4.780   2.225
  170   2HZ   LYS  24           HZ2      LYS  24  -7.864   3.382   3.192
  171   3HZ   LYS  24           HZ3      LYS  24  -7.953   3.249   1.500
  172   1H    CYS  25           H1       CYS  25   2.768   2.200   2.828
  173    H    CYS  25           HN       CYS  25  -0.439   3.623  -0.231
  174    HA   CYS  25           HA       CYS  25   1.136   1.486   0.950
  175   1HB   CYS  25           HB2      CYS  25   1.635   4.013  -0.416
  176   2HB   CYS  25           HB1      CYS  25   2.737   3.766   0.937
  Start of MODEL   14
    1   2H    CYS   1           HT2      CYS   1  11.562   3.344  -4.334
    2   3H    CYS   1           HT3      CYS   1  10.752   2.329  -5.429
    3    HA   CYS   1           HA       CYS   1   9.791   1.079  -3.586
    4   1HB   CYS   1           HB2      CYS   1  10.115   1.768  -1.336
    5   2HB   CYS   1           HB1      CYS   1  11.729   1.666  -2.042
    6    H    LYS   2           HN       LYS   2   7.894   2.042  -2.275
    7    HA   LYS   2           HA       LYS   2   6.937   4.448  -3.752
    8   1HB   LYS   2           HB2      LYS   2   5.477   2.061  -2.620
    9   2HB   LYS   2           HB1      LYS   2   4.632   3.550  -3.051
   10   1HG   LYS   2           HG2      LYS   2   6.500   2.255  -5.021
   11   2HG   LYS   2           HG1      LYS   2   4.852   1.660  -4.841
   12   1HD   LYS   2           HD2      LYS   2   4.010   3.974  -5.237
   13   2HD   LYS   2           HD1      LYS   2   5.671   4.498  -5.525
   14   1HE   LYS   2           HE2      LYS   2   4.679   4.052  -7.678
   15   2HE   LYS   2           HE1      LYS   2   5.813   2.746  -7.341
   16   1HZ   LYS   2           HZ1      LYS   2   2.878   2.708  -7.334
   17   2HZ   LYS   2           HZ2      LYS   2   3.711   1.646  -6.303
   18   3HZ   LYS   2           HZ3      LYS   2   3.969   1.583  -7.981
   19    H    GLY   3           HN       GLY   3   5.280   5.746  -2.470
   20   1HA   GLY   3           HA2      GLY   3   6.200   5.954   0.371
   21   2HA   GLY   3           HA1      GLY   3   5.700   7.342  -0.596
   22    H    LYS   4           HN       LYS   4   4.443   6.932   1.826
   23    HA   LYS   4           HA       LYS   4   2.212   5.328   2.022
   24   1HB   LYS   4           HB2      LYS   4   3.066   7.930   3.063
   25   2HB   LYS   4           HB1      LYS   4   1.319   7.739   2.998
   26   1HG   LYS   4           HG2      LYS   4   1.913   6.853   5.096
   27   2HG   LYS   4           HG1      LYS   4   1.718   5.432   4.078
   28   1HD   LYS   4           HD2      LYS   4   4.096   5.231   3.771
   29   2HD   LYS   4           HD1      LYS   4   4.381   6.797   4.531
   30   1HE   LYS   4           HE2      LYS   4   2.978   5.507   6.493
   31   2HE   LYS   4           HE1      LYS   4   3.872   4.167   5.772
   32   1HZ   LYS   4           HZ1      LYS   4   5.875   5.079   6.328
   33   2HZ   LYS   4           HZ2      LYS   4   4.936   5.626   7.633
   34   3HZ   LYS   4           HZ3      LYS   4   5.290   6.670   6.341
   35    H    GLY   5           HN       GLY   5  -0.107   5.954   1.691
   36   1HA   GLY   5           HA2      GLY   5  -1.835   6.457   0.174
   37   2HA   GLY   5           HA1      GLY   5  -0.976   7.976  -0.083
   38    H    ALA   6           HN       ALA   6   0.827   5.120  -0.722
   39    HA   ALA   6           HA       ALA   6   1.031   5.845  -3.531
   40   1HB   ALA   6           HB1      ALA   6   2.383   3.561  -3.476
   41   2HB   ALA   6           HB2      ALA   6   2.306   3.829  -1.734
   42   3HB   ALA   6           HB3      ALA   6   3.059   5.033  -2.779
   43    H    LYS   7           HN       LYS   7  -1.537   4.579  -2.262
   44    HA   LYS   7           HA       LYS   7  -3.062   2.813  -2.796
   45   1HB   LYS   7           HB2      LYS   7  -3.812   3.115  -5.127
   46   2HB   LYS   7           HB1      LYS   7  -3.504   4.682  -4.368
   47   1HG   LYS   7           HG2      LYS   7  -1.243   4.704  -5.341
   48   2HG   LYS   7           HG1      LYS   7  -1.564   3.161  -6.116
   49   1HD   LYS   7           HD2      LYS   7  -3.510   5.375  -6.599
   50   2HD   LYS   7           HD1      LYS   7  -1.946   5.470  -7.409
   51   1HE   LYS   7           HE2      LYS   7  -3.613   2.955  -7.484
   52   2HE   LYS   7           HE1      LYS   7  -3.835   4.248  -8.663
   53   1HZ   LYS   7           HZ1      LYS   7  -2.192   3.260  -9.770
   54   2HZ   LYS   7           HZ2      LYS   7  -1.719   2.320  -8.436
   55   3HZ   LYS   7           HZ3      LYS   7  -1.148   3.911  -8.602
   56    H    CYS   8           HN       CYS   8  -0.588   1.698  -2.466
   57    HA   CYS   8           HA       CYS   8   0.610   0.294  -4.559
   58   1HB   CYS   8           HB2      CYS   8   1.849  -0.367  -2.777
   59   2HB   CYS   8           HB1      CYS   8   0.597   0.184  -1.684
   60    H    SER   9           HN       SER   9   0.347  -2.309  -4.676
   61    HA   SER   9           HA       SER   9  -2.458  -2.729  -5.537
   62   1HB   SER   9           HB2      SER   9   0.172  -3.811  -6.182
   63   2HB   SER   9           HB1      SER   9  -1.067  -5.047  -6.033
   64    HG   SER   9           HG       SER   9  -1.706  -2.723  -7.435
   65    H    ARG  10           HN       ARG  10  -1.892  -2.623  -2.746
   66    HA   ARG  10           HA       ARG  10  -2.739  -3.730  -0.843
   67   1HB   ARG  10           HB2      ARG  10  -4.283  -4.905  -2.477
   68   2HB   ARG  10           HB1      ARG  10  -3.077  -6.183  -2.591
   69   1HG   ARG  10           HG2      ARG  10  -3.746  -7.078  -0.641
   70   2HG   ARG  10           HG1      ARG  10  -3.579  -5.527   0.182
   71   1HD   ARG  10           HD2      ARG  10  -5.906  -6.312   0.300
   72   2HD   ARG  10           HD1      ARG  10  -5.800  -4.846  -0.676
   73    HE   ARG  10           HE       ARG  10  -5.572  -6.884  -2.533
   74   1HH1  ARG  10          HH21      ARG  10  -7.768  -6.059   0.002
   75   2HH1  ARG  10          HH22      ARG  10  -9.141  -6.757  -0.787
   76   1HH2  ARG  10          HH11      ARG  10  -7.358  -7.796  -3.571
   77   2HH2  ARG  10          HH12      ARG  10  -8.911  -7.738  -2.806
   78    H    LEU  11           HN       LEU  11  -1.307  -6.568  -2.462
   79    HA   LEU  11           HA       LEU  11   0.840  -6.487  -0.385
   80   1HB   LEU  11           HB2      LEU  11  -0.721  -8.740  -1.619
   81   2HB   LEU  11           HB1      LEU  11   0.908  -9.040  -1.017
   82    HG   LEU  11           HG       LEU  11  -1.093  -9.381   0.607
   83   1HD1  LEU  11          HD11      LEU  11   1.588  -8.331   0.967
   84   2HD1  LEU  11          HD12      LEU  11   0.715  -9.509   1.945
   85   3HD1  LEU  11          HD13      LEU  11   0.520  -7.784   2.257
   86   1HD2  LEU  11          HD21      LEU  11  -2.016  -7.476   1.647
   87   2HD2  LEU  11          HD22      LEU  11  -1.978  -7.027  -0.057
   88   3HD2  LEU  11          HD23      LEU  11  -0.742  -6.418   1.043
   89    H    MET  12           HN       MET  12   2.060  -5.119  -1.940
   90    HA   MET  12           HA       MET  12   3.273  -6.780  -4.114
   91   1HB   MET  12           HB2      MET  12   2.241  -3.998  -4.114
   92   2HB   MET  12           HB1      MET  12   3.778  -4.247  -4.945
   93   1HG   MET  12           HG2      MET  12   2.477  -6.348  -5.948
   94   2HG   MET  12           HG1      MET  12   1.073  -5.343  -5.589
   95   1HE   MET  12           HE1      MET  12   2.258  -6.027  -8.974
   96   2HE   MET  12           HE2      MET  12   1.036  -4.771  -9.153
   97   3HE   MET  12           HE3      MET  12   0.847  -6.003  -7.908
   98    H    TYR  13           HN       TYR  13   3.788  -5.153  -1.203
   99    HA   TYR  13           HA       TYR  13   5.742  -4.628  -0.016
  100   1HB   TYR  13           HB2      TYR  13   7.233  -6.255  -2.079
  101   2HB   TYR  13           HB1      TYR  13   7.614  -6.042  -0.370
  102    HD1  TYR  13           HD1      TYR  13   5.631  -7.886  -2.811
  103    HD2  TYR  13           HD2      TYR  13   6.187  -7.105   1.376
  104    HE1  TYR  13           HE1      TYR  13   4.285  -9.891  -2.259
  105    HE2  TYR  13           HE2      TYR  13   4.840  -9.110   1.930
  106    HH   TYR  13           HH       TYR  13   3.240 -11.007  -0.607
  107    H    ASP  14           HN       ASP  14   5.105  -2.516  -1.421
  108    HA   ASP  14           HA       ASP  14   7.598  -1.730  -2.876
  109   1HB   ASP  14           HB2      ASP  14   4.710  -1.029  -3.407
  110   2HB   ASP  14           HB1      ASP  14   6.032  -0.042  -4.031
  111    H    CYS  15           HN       CYS  15   5.329  -1.003  -0.359
  112    HA   CYS  15           HA       CYS  15   5.813   1.784  -0.010
  113   1HB   CYS  15           HB2      CYS  15   5.360  -0.251   2.189
  114   2HB   CYS  15           HB1      CYS  15   5.062   1.488   2.263
  115    H    CYS  16           HN       CYS  16   7.571   2.771   0.320
  116    HA   CYS  16           HA       CYS  16  10.107   1.682   0.813
  117   1HB   CYS  16           HB2      CYS  16   9.034   4.172   0.310
  118   2HB   CYS  16           HB1      CYS  16   9.668   4.347   1.935
  119    H    THR  17           HN       THR  17   7.483   2.209   3.005
  120    HA   THR  17           HA       THR  17   9.331   1.780   5.317
  121    HB   THR  17           HB       THR  17   8.189   3.888   5.552
  122    HG1  THR  17           HG1      THR  17   8.227   2.392   7.375
  123   1HG2  THR  17          HG21      THR  17   6.240   4.187   4.475
  124   2HG2  THR  17          HG22      THR  17   5.457   3.186   5.698
  125   3HG2  THR  17          HG23      THR  17   6.077   2.449   4.221
  126    H    GLY  18           HN       GLY  18   6.233   1.384   6.422
  127   1HA   GLY  18           HA2      GLY  18   6.514  -1.409   6.876
  128   2HA   GLY  18           HA1      GLY  18   5.010  -0.507   7.053
  129    H    SER  19           HN       SER  19   3.489  -1.624   5.915
  130    HA   SER  19           HA       SER  19   4.232  -2.538   3.164
  131   1HB   SER  19           HB2      SER  19   3.548  -4.284   4.922
  132   2HB   SER  19           HB1      SER  19   1.929  -3.601   4.810
  133    HG   SER  19           HG       SER  19   1.942  -5.148   3.288
  134    H    CYS  20           HN       CYS  20   1.353  -3.065   2.633
  135    HA   CYS  20           HA       CYS  20   0.614  -0.290   1.887
  136   1HB   CYS  20           HB2      CYS  20  -0.747  -2.867   1.075
  137   2HB   CYS  20           HB1      CYS  20  -0.878  -1.289   0.299
  138    H    ARG  21           HN       ARG  21  -1.202   0.706   2.743
  139    HA   ARG  21           HA       ARG  21  -2.762  -0.843   4.760
  140   1HB   ARG  21           HB2      ARG  21  -1.637   1.155   5.637
  141   2HB   ARG  21           HB1      ARG  21  -2.418   2.148   4.407
  142   1HG   ARG  21           HG2      ARG  21  -4.499   0.709   5.627
  143   2HG   ARG  21           HG1      ARG  21  -3.456   1.238   6.945
  144   1HD   ARG  21           HD2      ARG  21  -4.907   3.067   6.659
  145   2HD   ARG  21           HD1      ARG  21  -3.478   3.544   5.741
  146    HE   ARG  21           HE       ARG  21  -5.058   2.250   3.872
  147   1HH1  ARG  21          HH21      ARG  21  -5.469   4.825   6.138
  148   2HH1  ARG  21          HH22      ARG  21  -6.643   5.655   5.174
  149   1HH2  ARG  21          HH11      ARG  21  -6.586   3.325   2.608
  150   2HH2  ARG  21          HH12      ARG  21  -7.275   4.810   3.178
  151    H    SER  22           HN       SER  22  -4.693  -1.504   3.979
  152    HA   SER  22           HA       SER  22  -6.622  -1.587   2.626
  153   1HB   SER  22           HB2      SER  22  -6.673   0.730   4.088
  154   2HB   SER  22           HB1      SER  22  -6.822   1.355   2.446
  155    HG   SER  22           HG       SER  22  -8.345  -0.857   3.293
  156    H    GLY  23           HN       GLY  23  -3.880  -1.143   1.377
  157   1HA   GLY  23           HA2      GLY  23  -3.510  -1.364  -1.029
  158   2HA   GLY  23           HA1      GLY  23  -4.885  -0.300  -1.303
  159    H    LYS  24           HN       LYS  24  -3.981   1.551   0.868
  160    HA   LYS  24           HA       LYS  24  -2.033   3.006  -0.814
  161   1HB   LYS  24           HB2      LYS  24  -3.619   3.814   1.625
  162   2HB   LYS  24           HB1      LYS  24  -2.455   4.865   0.833
  163   1HG   LYS  24           HG2      LYS  24  -3.728   5.011  -1.138
  164   2HG   LYS  24           HG1      LYS  24  -4.657   3.563  -0.751
  165   1HD   LYS  24           HD2      LYS  24  -6.121   4.699   0.583
  166   2HD   LYS  24           HD1      LYS  24  -4.867   5.766   1.217
  167   1HE   LYS  24           HE2      LYS  24  -5.171   6.319  -1.573
  168   2HE   LYS  24           HE1      LYS  24  -6.772   6.320  -0.837
  169   1HZ   LYS  24           HZ1      LYS  24  -5.983   7.855   0.836
  170   2HZ   LYS  24           HZ2      LYS  24  -5.708   8.496  -0.713
  171   3HZ   LYS  24           HZ3      LYS  24  -4.423   7.829   0.172
  172   1H    CYS  25           H1       CYS  25   2.783   2.691   3.493
  173    H    CYS  25           HN       CYS  25   0.039   3.265  -0.245
  174    HA   CYS  25           HA       CYS  25   1.313   1.577   1.623
  175   1HB   CYS  25           HB2      CYS  25   2.090   4.043   0.131
  176   2HB   CYS  25           HB1      CYS  25   3.125   3.546   1.470
  Start of MODEL   15
    1   2H    CYS   1           HT2      CYS   1  11.990   1.807  -4.749
    2   3H    CYS   1           HT3      CYS   1  12.358   3.222  -3.883
    3    HA   CYS   1           HA       CYS   1  10.022   1.460  -3.678
    4   1HB   CYS   1           HB2      CYS   1  10.441   1.647  -1.352
    5   2HB   CYS   1           HB1      CYS   1  12.037   1.511  -2.085
    6    H    LYS   2           HN       LYS   2   8.314   2.476  -2.116
    7    HA   LYS   2           HA       LYS   2   7.800   5.282  -2.986
    8   1HB   LYS   2           HB2      LYS   2   5.942   2.910  -2.867
    9   2HB   LYS   2           HB1      LYS   2   5.337   4.564  -2.884
   10   1HG   LYS   2           HG2      LYS   2   7.377   3.801  -4.928
   11   2HG   LYS   2           HG1      LYS   2   5.731   3.214  -5.144
   12   1HD   LYS   2           HD2      LYS   2   4.842   5.436  -5.179
   13   2HD   LYS   2           HD1      LYS   2   6.365   6.122  -4.611
   14   1HE   LYS   2           HE2      LYS   2   7.338   4.999  -6.789
   15   2HE   LYS   2           HE1      LYS   2   5.660   5.065  -7.329
   16   1HZ   LYS   2           HZ1      LYS   2   6.641   7.067  -8.014
   17   2HZ   LYS   2           HZ2      LYS   2   7.402   7.316  -6.516
   18   3HZ   LYS   2           HZ3      LYS   2   5.717   7.474  -6.652
   19    H    GLY   3           HN       GLY   3   6.000   6.267  -1.541
   20   1HA   GLY   3           HA2      GLY   3   6.554   5.484   1.296
   21   2HA   GLY   3           HA1      GLY   3   6.235   7.146   0.786
   22    H    LYS   4           HN       LYS   4   4.507   6.629   2.651
   23    HA   LYS   4           HA       LYS   4   2.269   5.014   2.023
   24   1HB   LYS   4           HB2      LYS   4   2.490   5.656   4.274
   25   2HB   LYS   4           HB1      LYS   4   2.798   7.335   3.846
   26   1HG   LYS   4           HG2      LYS   4   0.649   7.822   3.944
   27   2HG   LYS   4           HG1      LYS   4   0.258   6.530   2.825
   28   1HD   LYS   4           HD2      LYS   4  -0.849   5.648   4.620
   29   2HD   LYS   4           HD1      LYS   4   0.762   5.078   5.059
   30   1HE   LYS   4           HE2      LYS   4   0.710   6.329   6.923
   31   2HE   LYS   4           HE1      LYS   4   0.493   7.785   5.953
   32   1HZ   LYS   4           HZ1      LYS   4  -1.950   6.809   5.827
   33   2HZ   LYS   4           HZ2      LYS   4  -1.446   7.830   7.089
   34   3HZ   LYS   4           HZ3      LYS   4  -1.496   6.148   7.323
   35    H    GLY   5           HN       GLY   5   0.338   5.582   0.996
   36   1HA   GLY   5           HA2      GLY   5  -1.157   7.252  -0.023
   37   2HA   GLY   5           HA1      GLY   5   0.268   8.242  -0.359
   38    H    ALA   6           HN       ALA   6   1.885   5.963  -1.202
   39    HA   ALA   6           HA       ALA   6   1.107   5.891  -3.996
   40   1HB   ALA   6           HB1      ALA   6   3.224   5.151  -4.312
   41   2HB   ALA   6           HB2      ALA   6   3.023   3.842  -3.150
   42   3HB   ALA   6           HB3      ALA   6   3.465   5.455  -2.592
   43    H    LYS   7           HN       LYS   7  -1.081   5.007  -3.526
   44    HA   LYS   7           HA       LYS   7  -1.944   2.729  -2.388
   45   1HB   LYS   7           HB2      LYS   7  -3.563   2.457  -4.159
   46   2HB   LYS   7           HB1      LYS   7  -3.266   4.184  -3.954
   47   1HG   LYS   7           HG2      LYS   7  -1.304   3.254  -5.757
   48   2HG   LYS   7           HG1      LYS   7  -2.829   2.550  -6.279
   49   1HD   LYS   7           HD2      LYS   7  -3.416   4.529  -7.175
   50   2HD   LYS   7           HD1      LYS   7  -3.378   5.239  -5.560
   51   1HE   LYS   7           HE2      LYS   7  -1.853   6.324  -7.316
   52   2HE   LYS   7           HE1      LYS   7  -1.101   5.890  -5.783
   53   1HZ   LYS   7           HZ1      LYS   7   0.219   4.435  -6.788
   54   2HZ   LYS   7           HZ2      LYS   7  -0.286   5.097  -8.269
   55   3HZ   LYS   7           HZ3      LYS   7  -1.064   3.725  -7.638
   56    H    CYS   8           HN       CYS   8  -2.068   0.487  -2.905
   57    HA   CYS   8           HA       CYS   8  -0.140  -0.481  -4.954
   58   1HB   CYS   8           HB2      CYS   8   1.316  -1.164  -3.363
   59   2HB   CYS   8           HB1      CYS   8   0.269  -0.515  -2.116
   60    H    SER   9           HN       SER   9  -0.533  -3.192  -4.801
   61    HA   SER   9           HA       SER   9  -3.409  -3.377  -5.421
   62   1HB   SER   9           HB2      SER   9  -1.349  -4.399  -6.756
   63   2HB   SER   9           HB1      SER   9  -1.589  -5.734  -5.631
   64    HG   SER   9           HG       SER   9  -3.585  -6.060  -6.431
   65    H    ARG  10           HN       ARG  10  -1.078  -4.928  -3.278
   66    HA   ARG  10           HA       ARG  10  -2.855  -5.183  -1.098
   67   1HB   ARG  10           HB2      ARG  10  -3.369  -7.630  -1.217
   68   2HB   ARG  10           HB1      ARG  10  -4.162  -6.696  -2.485
   69   1HG   ARG  10           HG2      ARG  10  -1.786  -7.306  -3.693
   70   2HG   ARG  10           HG1      ARG  10  -2.045  -8.744  -2.701
   71   1HD   ARG  10           HD2      ARG  10  -4.270  -7.611  -4.387
   72   2HD   ARG  10           HD1      ARG  10  -3.080  -8.714  -5.080
   73    HE   ARG  10           HE       ARG  10  -3.932 -10.022  -2.795
   74   1HH1  ARG  10          HH21      ARG  10  -5.446  -8.558  -5.534
   75   2HH1  ARG  10          HH22      ARG  10  -6.784  -9.656  -5.541
   76   1HH2  ARG  10          HH11      ARG  10  -5.678 -11.457  -2.797
   77   2HH2  ARG  10          HH12      ARG  10  -6.916 -11.292  -3.998
   78    H    LEU  11           HN       LEU  11  -0.149  -6.646  -2.854
   79    HA   LEU  11           HA       LEU  11   1.364  -6.680  -0.319
   80   1HB   LEU  11           HB2      LEU  11   0.473  -9.119  -1.790
   81   2HB   LEU  11           HB1      LEU  11   2.112  -9.118  -1.136
   82    HG   LEU  11           HG       LEU  11   0.474  -8.028   0.885
   83   1HD1  LEU  11          HD11      LEU  11  -1.515  -9.086   0.831
   84   2HD1  LEU  11          HD12      LEU  11  -0.735 -10.647   0.577
   85   3HD1  LEU  11          HD13      LEU  11  -1.116  -9.617  -0.803
   86   1HD2  LEU  11          HD21      LEU  11   0.957 -10.636   1.634
   87   2HD2  LEU  11          HD22      LEU  11   2.108  -9.311   1.807
   88   3HD2  LEU  11          HD23      LEU  11   2.190 -10.373   0.402
   89    H    MET  12           HN       MET  12   1.418  -5.373  -3.087
   90    HA   MET  12           HA       MET  12   3.628  -6.395  -4.565
   91   1HB   MET  12           HB2      MET  12   2.730  -3.513  -4.265
   92   2HB   MET  12           HB1      MET  12   3.798  -4.131  -5.526
   93   1HG   MET  12           HG2      MET  12   0.980  -5.138  -5.054
   94   2HG   MET  12           HG1      MET  12   1.408  -3.926  -6.261
   95   1HE   MET  12           HE1      MET  12   1.310  -7.122  -4.902
   96   2HE   MET  12           HE2      MET  12   2.559  -8.127  -5.632
   97   3HE   MET  12           HE3      MET  12   0.956  -8.058  -6.361
   98    H    TYR  13           HN       TYR  13   3.484  -4.886  -1.498
   99    HA   TYR  13           HA       TYR  13   5.147  -4.079  -0.049
  100   1HB   TYR  13           HB2      TYR  13   6.418  -6.306  -1.599
  101   2HB   TYR  13           HB1      TYR  13   7.433  -5.331  -0.536
  102    HD1  TYR  13           HD1      TYR  13   7.854  -6.700   1.333
  103    HD2  TYR  13           HD2      TYR  13   3.845  -6.305  -0.158
  104    HE1  TYR  13           HE1      TYR  13   7.001  -7.943   3.299
  105    HE2  TYR  13           HE2      TYR  13   2.991  -7.549   1.809
  106    HH   TYR  13           HH       TYR  13   4.623  -9.453   3.633
  107    H    ASP  14           HN       ASP  14   4.706  -2.313  -2.124
  108    HA   ASP  14           HA       ASP  14   7.373  -1.597  -3.213
  109   1HB   ASP  14           HB2      ASP  14   4.868   0.006  -3.668
  110   2HB   ASP  14           HB1      ASP  14   6.258  -0.207  -4.733
  111    H    CYS  15           HN       CYS  15   5.205  -0.776  -0.661
  112    HA   CYS  15           HA       CYS  15   6.043   1.955  -0.233
  113   1HB   CYS  15           HB2      CYS  15   5.338   0.176   2.082
  114   2HB   CYS  15           HB1      CYS  15   4.911   1.860   1.790
  115    H    CYS  16           HN       CYS  16   7.871   2.671   0.361
  116    HA   CYS  16           HA       CYS  16  10.221   1.230   0.688
  117   1HB   CYS  16           HB2      CYS  16   9.503   3.858   0.615
  118   2HB   CYS  16           HB1      CYS  16  10.042   3.690   2.275
  119    H    THR  17           HN       THR  17   8.213   2.578   3.351
  120    HA   THR  17           HA       THR  17   9.582   0.633   5.153
  121    HB   THR  17           HB       THR  17   9.545   2.183   6.883
  122    HG1  THR  17           HG1      THR  17   8.027   3.774   7.039
  123   1HG2  THR  17          HG21      THR  17  10.921   2.987   4.933
  124   2HG2  THR  17          HG22      THR  17  10.364   4.278   5.997
  125   3HG2  THR  17          HG23      THR  17   9.554   3.995   4.456
  126    H    GLY  18           HN       GLY  18   6.559   2.451   5.064
  127   1HA   GLY  18           HA2      GLY  18   5.091   0.604   6.665
  128   2HA   GLY  18           HA1      GLY  18   4.366   1.797   5.588
  129    H    SER  19           HN       SER  19   2.785   0.041   5.164
  130    HA   SER  19           HA       SER  19   3.696  -1.602   2.866
  131   1HB   SER  19           HB2      SER  19   3.216  -2.696   5.437
  132   2HB   SER  19           HB1      SER  19   1.826  -3.131   4.446
  133    HG   SER  19           HG       SER  19   3.614  -4.612   4.298
  134    H    CYS  20           HN       CYS  20   1.601  -2.649   1.840
  135    HA   CYS  20           HA       CYS  20  -0.160  -0.542   1.113
  136   1HB   CYS  20           HB2      CYS  20  -0.962  -3.455   1.044
  137   2HB   CYS  20           HB1      CYS  20  -1.438  -2.164  -0.056
  138    H    ARG  21           HN       ARG  21  -1.006   0.450   3.023
  139    HA   ARG  21           HA       ARG  21  -2.660  -1.268   4.795
  140   1HB   ARG  21           HB2      ARG  21  -1.078   0.364   5.819
  141   2HB   ARG  21           HB1      ARG  21  -1.986   1.677   5.068
  142   1HG   ARG  21           HG2      ARG  21  -4.054   0.659   6.232
  143   2HG   ARG  21           HG1      ARG  21  -2.897  -0.247   7.208
  144   1HD   ARG  21           HD2      ARG  21  -2.301   2.633   6.958
  145   2HD   ARG  21           HD1      ARG  21  -3.788   2.261   7.830
  146    HE   ARG  21           HE       ARG  21  -1.928   0.537   8.939
  147   1HH1  ARG  21          HH21      ARG  21  -2.132   3.933   8.341
  148   2HH1  ARG  21          HH22      ARG  21  -1.176   4.363   9.717
  149   1HH2  ARG  21          HH11      ARG  21  -0.677   1.086  10.733
  150   2HH2  ARG  21          HH12      ARG  21  -0.350   2.752  11.071
  151    H    SER  22           HN       SER  22  -4.787  -1.414   4.395
  152    HA   SER  22           HA       SER  22  -6.929  -0.908   3.579
  153   1HB   SER  22           HB2      SER  22  -6.272   1.178   5.088
  154   2HB   SER  22           HB1      SER  22  -6.238   2.008   3.535
  155    HG   SER  22           HG       SER  22  -8.314   2.129   4.283
  156    H    GLY  23           HN       GLY  23  -4.665  -1.280   1.699
  157   1HA   GLY  23           HA2      GLY  23  -4.666  -1.356  -0.680
  158   2HA   GLY  23           HA1      GLY  23  -6.013  -0.216  -0.689
  159    H    LYS  24           HN       LYS  24  -4.090   1.275   1.369
  160    HA   LYS  24           HA       LYS  24  -2.654   2.752  -0.777
  161   1HB   LYS  24           HB2      LYS  24  -3.515   3.699   1.965
  162   2HB   LYS  24           HB1      LYS  24  -2.681   4.680   0.758
  163   1HG   LYS  24           HG2      LYS  24  -4.522   4.748  -0.660
  164   2HG   LYS  24           HG1      LYS  24  -5.209   3.268  -0.001
  165   1HD   LYS  24           HD2      LYS  24  -4.995   5.238   2.091
  166   2HD   LYS  24           HD1      LYS  24  -5.857   5.931   0.717
  167   1HE   LYS  24           HE2      LYS  24  -6.931   3.388   0.899
  168   2HE   LYS  24           HE1      LYS  24  -6.708   3.842   2.588
  169   1HZ   LYS  24           HZ1      LYS  24  -8.550   5.032   2.384
  170   2HZ   LYS  24           HZ2      LYS  24  -8.606   4.804   0.701
  171   3HZ   LYS  24           HZ3      LYS  24  -7.704   6.086   1.359
  172   1H    CYS  25           H1       CYS  25   2.651   1.864   2.754
  173    H    CYS  25           HN       CYS  25  -0.451   3.114  -0.562
  174    HA   CYS  25           HA       CYS  25   1.121   1.279   0.908
  175   1HB   CYS  25           HB2      CYS  25   1.610   3.642  -0.706
  176   2HB   CYS  25           HB1      CYS  25   2.713   3.577   0.662
  Start of MODEL   16
    1   2H    CYS   1           HT2      CYS   1  10.428   2.214  -5.864
    2   3H    CYS   1           HT3      CYS   1  11.696   1.488  -4.995
    3    HA   CYS   1           HA       CYS   1   9.609   0.934  -3.963
    4   1HB   CYS   1           HB2      CYS   1  10.160   1.594  -1.735
    5   2HB   CYS   1           HB1      CYS   1  11.694   1.443  -2.591
    6    H    LYS   2           HN       LYS   2   7.948   2.064  -2.336
    7    HA   LYS   2           HA       LYS   2   6.940   4.506  -3.727
    8   1HB   LYS   2           HB2      LYS   2   5.409   2.183  -2.539
    9   2HB   LYS   2           HB1      LYS   2   4.652   3.687  -3.059
   10   1HG   LYS   2           HG2      LYS   2   6.477   2.454  -5.031
   11   2HG   LYS   2           HG1      LYS   2   5.008   1.541  -4.686
   12   1HD   LYS   2           HD2      LYS   2   4.503   4.407  -5.003
   13   2HD   LYS   2           HD1      LYS   2   5.195   3.669  -6.449
   14   1HE   LYS   2           HE2      LYS   2   3.213   1.900  -5.351
   15   2HE   LYS   2           HE1      LYS   2   2.510   3.506  -5.544
   16   1HZ   LYS   2           HZ1      LYS   2   2.826   1.676  -7.516
   17   2HZ   LYS   2           HZ2      LYS   2   4.151   2.709  -7.758
   18   3HZ   LYS   2           HZ3      LYS   2   2.574   3.336  -7.750
   19    H    GLY   3           HN       GLY   3   5.206   5.607  -2.207
   20   1HA   GLY   3           HA2      GLY   3   6.429   5.781   0.523
   21   2HA   GLY   3           HA1      GLY   3   5.745   7.172  -0.321
   22    H    LYS   4           HN       LYS   4   4.765   6.583   2.207
   23    HA   LYS   4           HA       LYS   4   2.566   4.805   2.274
   24   1HB   LYS   4           HB2      LYS   4   2.208   5.648   4.365
   25   2HB   LYS   4           HB1      LYS   4   3.809   6.304   4.118
   26   1HG   LYS   4           HG2      LYS   4   2.710   8.382   3.180
   27   2HG   LYS   4           HG1      LYS   4   1.175   7.726   3.734
   28   1HD   LYS   4           HD2      LYS   4   2.699   7.451   5.987
   29   2HD   LYS   4           HD1      LYS   4   3.374   8.927   5.294
   30   1HE   LYS   4           HE2      LYS   4   1.500   9.475   6.784
   31   2HE   LYS   4           HE1      LYS   4   1.089   9.873   5.115
   32   1HZ   LYS   4           HZ1      LYS   4  -0.454   8.261   5.014
   33   2HZ   LYS   4           HZ2      LYS   4  -0.463   8.411   6.706
   34   3HZ   LYS   4           HZ3      LYS   4   0.438   7.177   5.964
   35    H    GLY   5           HN       GLY   5   0.329   5.261   2.110
   36   1HA   GLY   5           HA2      GLY   5  -1.581   6.161   1.089
   37   2HA   GLY   5           HA1      GLY   5  -0.795   7.730   1.233
   38    H    ALA   6           HN       ALA   6   1.326   5.842  -0.503
   39    HA   ALA   6           HA       ALA   6   0.587   7.166  -2.993
   40   1HB   ALA   6           HB1      ALA   6   2.941   6.988  -2.412
   41   2HB   ALA   6           HB2      ALA   6   2.638   6.037  -3.867
   42   3HB   ALA   6           HB3      ALA   6   2.814   5.230  -2.309
   43    H    LYS   7           HN       LYS   7  -1.208   4.994  -1.881
   44    HA   LYS   7           HA       LYS   7  -2.415   3.189  -2.691
   45   1HB   LYS   7           HB2      LYS   7  -1.973   4.965  -4.826
   46   2HB   LYS   7           HB1      LYS   7  -1.692   3.342  -5.465
   47   1HG   LYS   7           HG2      LYS   7  -3.903   3.071  -3.787
   48   2HG   LYS   7           HG1      LYS   7  -4.178   4.575  -4.647
   49   1HD   LYS   7           HD2      LYS   7  -3.572   1.885  -5.899
   50   2HD   LYS   7           HD1      LYS   7  -5.117   2.734  -5.949
   51   1HE   LYS   7           HE2      LYS   7  -4.370   4.297  -7.479
   52   2HE   LYS   7           HE1      LYS   7  -2.694   4.178  -6.940
   53   1HZ   LYS   7           HZ1      LYS   7  -3.901   2.881  -9.089
   54   2HZ   LYS   7           HZ2      LYS   7  -3.518   1.687  -7.941
   55   3HZ   LYS   7           HZ3      LYS   7  -2.306   2.718  -8.538
   56    H    CYS   8           HN       CYS   8  -2.214   1.054  -3.660
   57    HA   CYS   8           HA       CYS   8   0.373   0.139  -4.623
   58   1HB   CYS   8           HB2      CYS   8   1.341  -0.388  -2.646
   59   2HB   CYS   8           HB1      CYS   8  -0.075   0.172  -1.776
   60    H    SER   9           HN       SER   9   0.171  -2.523  -4.545
   61    HA   SER   9           HA       SER   9  -2.449  -3.030  -5.804
   62   1HB   SER   9           HB2      SER   9   0.164  -4.518  -5.708
   63   2HB   SER   9           HB1      SER   9  -1.308  -5.324  -6.245
   64    HG   SER   9           HG       SER   9  -1.527  -3.726  -7.837
   65    H    ARG  10           HN       ARG  10  -0.411  -4.443  -3.289
   66    HA   ARG  10           HA       ARG  10  -2.447  -4.792  -1.376
   67   1HB   ARG  10           HB2      ARG  10  -3.410  -6.343  -3.113
   68   2HB   ARG  10           HB1      ARG  10  -1.980  -7.355  -2.931
   69   1HG   ARG  10           HG2      ARG  10  -3.850  -8.171  -1.530
   70   2HG   ARG  10           HG1      ARG  10  -2.481  -7.655  -0.543
   71   1HD   ARG  10           HD2      ARG  10  -3.679  -6.006   0.422
   72   2HD   ARG  10           HD1      ARG  10  -4.320  -5.457  -1.123
   73    HE   ARG  10           HE       ARG  10  -5.759  -6.955   0.807
   74   1HH1  ARG  10          HH21      ARG  10  -5.054  -7.060  -2.585
   75   2HH1  ARG  10          HH22      ARG  10  -6.382  -8.106  -2.945
   76   1HH2  ARG  10          HH11      ARG  10  -7.486  -8.298   0.330
   77   2HH2  ARG  10          HH12      ARG  10  -7.756  -8.803  -1.305
   78    H    LEU  11           HN       LEU  11  -0.188  -7.351  -2.437
   79    HA   LEU  11           HA       LEU  11   1.365  -6.804   0.062
   80   1HB   LEU  11           HB2      LEU  11   0.175  -9.242  -0.968
   81   2HB   LEU  11           HB1      LEU  11   1.918  -9.431  -0.771
   82    HG   LEU  11           HG       LEU  11   0.879  -7.997   1.488
   83   1HD1  LEU  11          HD11      LEU  11  -0.536  -9.858   2.408
   84   2HD1  LEU  11          HD12      LEU  11  -0.512 -10.603   0.811
   85   3HD1  LEU  11          HD13      LEU  11  -1.272  -9.028   1.037
   86   1HD2  LEU  11          HD21      LEU  11   2.590  -9.207   2.317
   87   2HD2  LEU  11          HD22      LEU  11   2.655 -10.164   0.836
   88   3HD2  LEU  11          HD23      LEU  11   1.607 -10.664   2.163
   89    H    MET  12           HN       MET  12   1.798  -5.650  -2.621
   90    HA   MET  12           HA       MET  12   4.064  -7.028  -3.813
   91   1HB   MET  12           HB2      MET  12   2.637  -4.443  -4.238
   92   2HB   MET  12           HB1      MET  12   4.296  -4.554  -4.825
   93   1HG   MET  12           HG2      MET  12   2.509  -6.857  -5.424
   94   2HG   MET  12           HG1      MET  12   2.193  -5.359  -6.301
   95   1HE   MET  12           HE1      MET  12   2.891  -5.283  -8.485
   96   2HE   MET  12           HE2      MET  12   4.578  -5.213  -8.991
   97   3HE   MET  12           HE3      MET  12   3.982  -4.084  -7.775
   98    H    TYR  13           HN       TYR  13   3.729  -5.303  -0.973
   99    HA   TYR  13           HA       TYR  13   5.241  -4.122   0.398
  100   1HB   TYR  13           HB2      TYR  13   6.741  -6.441  -0.781
  101   2HB   TYR  13           HB1      TYR  13   7.595  -5.295   0.251
  102    HD1  TYR  13           HD1      TYR  13   5.600  -4.518   2.222
  103    HD2  TYR  13           HD2      TYR  13   6.369  -8.375   0.495
  104    HE1  TYR  13           HE1      TYR  13   4.645  -5.608   4.231
  105    HE2  TYR  13           HE2      TYR  13   5.413  -9.467   2.504
  106    HH   TYR  13           HH       TYR  13   3.482  -8.261   4.507
  107    H    ASP  14           HN       ASP  14   4.846  -2.547  -1.730
  108    HA   ASP  14           HA       ASP  14   7.483  -1.925  -2.943
  109   1HB   ASP  14           HB2      ASP  14   4.666  -1.423  -3.634
  110   2HB   ASP  14           HB1      ASP  14   5.718  -0.030  -3.884
  111    H    CYS  15           HN       CYS  15   5.352  -0.877  -0.438
  112    HA   CYS  15           HA       CYS  15   6.063   1.875  -0.232
  113   1HB   CYS  15           HB2      CYS  15   5.667   0.125   2.191
  114   2HB   CYS  15           HB1      CYS  15   5.221   1.816   1.957
  115    H    CYS  16           HN       CYS  16   7.869   2.765   0.039
  116    HA   CYS  16           HA       CYS  16  10.352   1.541   0.345
  117   1HB   CYS  16           HB2      CYS  16   9.371   4.108   0.048
  118   2HB   CYS  16           HB1      CYS  16  10.182   4.162   1.598
  119    H    THR  17           HN       THR  17   8.109   2.668   2.851
  120    HA   THR  17           HA       THR  17   9.650   1.077   4.823
  121    HB   THR  17           HB       THR  17  10.610   3.282   5.095
  122    HG1  THR  17           HG1      THR  17   9.560   1.998   6.958
  123   1HG2  THR  17          HG21      THR  17   7.869   4.425   5.591
  124   2HG2  THR  17          HG22      THR  17   8.533   4.357   3.959
  125   3HG2  THR  17          HG23      THR  17   9.368   5.276   5.212
  126    H    GLY  18           HN       GLY  18   7.647  -0.230   4.501
  127   1HA   GLY  18           HA2      GLY  18   5.879  -0.406   6.500
  128   2HA   GLY  18           HA1      GLY  18   5.174   0.951   5.621
  129    H    SER  19           HN       SER  19   3.367  -0.781   5.534
  130    HA   SER  19           HA       SER  19   3.777  -2.441   3.080
  131   1HB   SER  19           HB2      SER  19   2.754  -4.235   4.058
  132   2HB   SER  19           HB1      SER  19   3.252  -3.453   5.555
  133    HG   SER  19           HG       SER  19   1.240  -3.006   5.961
  134    H    CYS  20           HN       CYS  20   1.031  -3.111   2.731
  135    HA   CYS  20           HA       CYS  20   0.030  -0.452   1.875
  136   1HB   CYS  20           HB2      CYS  20  -1.068  -3.185   1.169
  137   2HB   CYS  20           HB1      CYS  20  -1.454  -1.653   0.387
  138    H    ARG  21           HN       ARG  21  -2.084   0.249   2.393
  139    HA   ARG  21           HA       ARG  21  -3.667  -1.355   4.309
  140   1HB   ARG  21           HB2      ARG  21  -2.172   1.099   4.980
  141   2HB   ARG  21           HB1      ARG  21  -3.863   1.111   5.475
  142   1HG   ARG  21           HG2      ARG  21  -3.490  -1.147   6.532
  143   2HG   ARG  21           HG1      ARG  21  -1.770  -0.963   6.188
  144   1HD   ARG  21           HD2      ARG  21  -1.819   1.203   7.473
  145   2HD   ARG  21           HD1      ARG  21  -3.477   0.826   7.938
  146    HE   ARG  21           HE       ARG  21  -2.076  -1.428   8.700
  147   1HH1  ARG  21          HH21      ARG  21  -1.750   1.978   9.191
  148   2HH1  ARG  21          HH22      ARG  21  -1.038   1.813  10.760
  149   1HH2  ARG  21          HH11      ARG  21  -1.141  -1.650  10.749
  150   2HH2  ARG  21          HH12      ARG  21  -0.694  -0.234  11.641
  151    H    SER  22           HN       SER  22  -5.847  -1.019   3.977
  152    HA   SER  22           HA       SER  22  -7.752  -0.300   2.793
  153   1HB   SER  22           HB2      SER  22  -6.631   2.480   2.827
  154   2HB   SER  22           HB1      SER  22  -8.277   1.939   3.147
  155    HG   SER  22           HG       SER  22  -7.489   1.023   5.099
  156    H    GLY  23           HN       GLY  23  -5.226  -0.943   1.271
  157   1HA   GLY  23           HA2      GLY  23  -4.808  -1.067  -1.058
  158   2HA   GLY  23           HA1      GLY  23  -6.152   0.045  -1.324
  159    H    LYS  24           HN       LYS  24  -3.526   0.740   0.905
  160    HA   LYS  24           HA       LYS  24  -2.272   2.558  -1.050
  161   1HB   LYS  24           HB2      LYS  24  -3.620   3.406   1.501
  162   2HB   LYS  24           HB1      LYS  24  -2.302   4.355   0.806
  163   1HG   LYS  24           HG2      LYS  24  -3.690   4.093  -1.413
  164   2HG   LYS  24           HG1      LYS  24  -5.021   3.803  -0.304
  165   1HD   LYS  24           HD2      LYS  24  -3.205   6.181   0.056
  166   2HD   LYS  24           HD1      LYS  24  -4.590   6.252  -1.036
  167   1HE   LYS  24           HE2      LYS  24  -5.559   5.075   1.333
  168   2HE   LYS  24           HE1      LYS  24  -4.548   6.422   1.852
  169   1HZ   LYS  24           HZ1      LYS  24  -6.389   6.862  -0.377
  170   2HZ   LYS  24           HZ2      LYS  24  -5.870   7.941   0.829
  171   3HZ   LYS  24           HZ3      LYS  24  -7.047   6.767   1.183
  172   1H    CYS  25           H1       CYS  25   2.879   2.113   2.957
  173    H    CYS  25           HN       CYS  25  -0.186   3.331  -0.343
  174    HA   CYS  25           HA       CYS  25   1.284   1.289   1.109
  175   1HB   CYS  25           HB2      CYS  25   1.911   3.642  -0.500
  176   2HB   CYS  25           HB1      CYS  25   2.969   3.496   0.906
  Start of MODEL   17
    1   2H    CYS   1           HT2      CYS   1  11.668   3.899  -4.091
    2   3H    CYS   1           HT3      CYS   1  10.996   2.886  -5.280
    3    HA   CYS   1           HA       CYS   1  10.023   1.474  -3.590
    4   1HB   CYS   1           HB2      CYS   1  10.222   1.998  -1.271
    5   2HB   CYS   1           HB1      CYS   1  11.863   1.948  -1.919
    6    H    LYS   2           HN       LYS   2   7.925   2.013  -2.713
    7    HA   LYS   2           HA       LYS   2   6.946   4.585  -3.761
    8   1HB   LYS   2           HB2      LYS   2   5.647   2.009  -2.919
    9   2HB   LYS   2           HB1      LYS   2   4.685   3.482  -3.062
   10   1HG   LYS   2           HG2      LYS   2   4.695   2.151  -5.162
   11   2HG   LYS   2           HG1      LYS   2   5.382   3.757  -5.380
   12   1HD   LYS   2           HD2      LYS   2   7.653   2.819  -5.165
   13   2HD   LYS   2           HD1      LYS   2   6.964   1.209  -4.951
   14   1HE   LYS   2           HE2      LYS   2   5.714   1.984  -7.240
   15   2HE   LYS   2           HE1      LYS   2   7.253   2.826  -7.411
   16   1HZ   LYS   2           HZ1      LYS   2   6.680  -0.007  -7.480
   17   2HZ   LYS   2           HZ2      LYS   2   8.047   0.415  -6.564
   18   3HZ   LYS   2           HZ3      LYS   2   7.945   0.863  -8.200
   19    H    GLY   3           HN       GLY   3   5.460   5.882  -2.396
   20   1HA   GLY   3           HA2      GLY   3   6.258   5.715   0.483
   21   2HA   GLY   3           HA1      GLY   3   5.864   7.222  -0.346
   22    H    LYS   4           HN       LYS   4   4.500   6.687   1.965
   23    HA   LYS   4           HA       LYS   4   2.196   5.192   1.976
   24   1HB   LYS   4           HB2      LYS   4   1.496   6.565   3.696
   25   2HB   LYS   4           HB1      LYS   4   3.199   6.980   3.655
   26   1HG   LYS   4           HG2      LYS   4   2.633   8.889   2.124
   27   2HG   LYS   4           HG1      LYS   4   0.929   8.524   2.377
   28   1HD   LYS   4           HD2      LYS   4   1.100   9.971   4.122
   29   2HD   LYS   4           HD1      LYS   4   1.845   8.605   4.956
   30   1HE   LYS   4           HE2      LYS   4   3.907   9.547   4.906
   31   2HE   LYS   4           HE1      LYS   4   3.708  10.111   3.247
   32   1HZ   LYS   4           HZ1      LYS   4   3.665  12.090   4.323
   33   2HZ   LYS   4           HZ2      LYS   4   3.035  11.439   5.760
   34   3HZ   LYS   4           HZ3      LYS   4   2.014  11.722   4.432
   35    H    GLY   5           HN       GLY   5  -0.095   5.988   1.584
   36   1HA   GLY   5           HA2      GLY   5  -1.719   6.717   0.045
   37   2HA   GLY   5           HA1      GLY   5  -0.680   8.117  -0.209
   38    H    ALA   6           HN       ALA   6   0.871   5.120  -0.771
   39    HA   ALA   6           HA       ALA   6   1.140   5.754  -3.597
   40   1HB   ALA   6           HB1      ALA   6   3.090   4.758  -2.980
   41   2HB   ALA   6           HB2      ALA   6   2.221   3.275  -3.380
   42   3HB   ALA   6           HB3      ALA   6   2.316   3.816  -1.707
   43    H    LYS   7           HN       LYS   7  -1.500   4.696  -2.265
   44    HA   LYS   7           HA       LYS   7  -3.161   3.045  -2.764
   45   1HB   LYS   7           HB2      LYS   7  -3.961   3.469  -5.067
   46   2HB   LYS   7           HB1      LYS   7  -3.523   4.982  -4.262
   47   1HG   LYS   7           HG2      LYS   7  -1.284   4.864  -5.296
   48   2HG   LYS   7           HG1      LYS   7  -1.759   3.398  -6.136
   49   1HD   LYS   7           HD2      LYS   7  -3.482   5.832  -6.428
   50   2HD   LYS   7           HD1      LYS   7  -1.967   5.762  -7.328
   51   1HE   LYS   7           HE2      LYS   7  -3.151   3.226  -7.649
   52   2HE   LYS   7           HE1      LYS   7  -4.460   4.390  -7.857
   53   1HZ   LYS   7           HZ1      LYS   7  -2.176   3.875  -9.531
   54   2HZ   LYS   7           HZ2      LYS   7  -2.426   5.526  -9.219
   55   3HZ   LYS   7           HZ3      LYS   7  -3.664   4.595  -9.916
   56    H    CYS   8           HN       CYS   8  -0.789   1.687  -2.570
   57    HA   CYS   8           HA       CYS   8   0.108   0.239  -4.820
   58   1HB   CYS   8           HB2      CYS   8   1.496  -0.511  -3.189
   59   2HB   CYS   8           HB1      CYS   8   0.428   0.128  -1.957
   60    H    SER   9           HN       SER   9  -0.398  -2.395  -4.790
   61    HA   SER   9           HA       SER   9  -3.302  -2.507  -5.317
   62   1HB   SER   9           HB2      SER   9  -0.976  -3.789  -6.416
   63   2HB   SER   9           HB1      SER   9  -2.102  -5.017  -5.845
   64    HG   SER   9           HG       SER   9  -3.683  -4.143  -7.132
   65    H    ARG  10           HN       ARG  10  -0.874  -4.237  -3.432
   66    HA   ARG  10           HA       ARG  10  -2.524  -4.585  -1.156
   67   1HB   ARG  10           HB2      ARG  10  -2.908  -6.586  -3.295
   68   2HB   ARG  10           HB1      ARG  10  -2.601  -7.271  -1.697
   69   1HG   ARG  10           HG2      ARG  10  -4.372  -5.315  -1.049
   70   2HG   ARG  10           HG1      ARG  10  -4.935  -5.728  -2.668
   71   1HD   ARG  10           HD2      ARG  10  -5.238  -8.032  -2.074
   72   2HD   ARG  10           HD1      ARG  10  -4.392  -7.811  -0.541
   73    HE   ARG  10           HE       ARG  10  -6.517  -6.049  -0.367
   74   1HH1  ARG  10          HH21      ARG  10  -6.116  -9.405  -1.081
   75   2HH1  ARG  10          HH22      ARG  10  -7.660  -9.857  -0.441
   76   1HH2  ARG  10          HH11      ARG  10  -8.532  -6.630   0.469
   77   2HH2  ARG  10          HH12      ARG  10  -9.025  -8.290   0.437
   78    H    LEU  11           HN       LEU  11  -0.854  -7.450  -2.277
   79    HA   LEU  11           HA       LEU  11   1.162  -7.027  -0.162
   80   1HB   LEU  11           HB2      LEU  11   0.106  -9.329  -1.701
   81   2HB   LEU  11           HB1      LEU  11   1.815  -9.417  -1.277
   82    HG   LEU  11           HG       LEU  11   0.188 -10.388   0.436
   83   1HD1  LEU  11          HD11      LEU  11   1.966 -10.100   1.784
   84   2HD1  LEU  11          HD12      LEU  11   1.463  -8.439   2.095
   85   3HD1  LEU  11          HD13      LEU  11   2.540  -8.795   0.745
   86   1HD2  LEU  11          HD21      LEU  11  -0.367  -7.430   0.834
   87   2HD2  LEU  11          HD22      LEU  11  -0.891  -8.713   1.924
   88   3HD2  LEU  11          HD23      LEU  11  -1.527  -8.638   0.282
   89    H    MET  12           HN       MET  12   1.445  -5.233  -2.316
   90    HA   MET  12           HA       MET  12   3.412  -6.243  -4.209
   91   1HB   MET  12           HB2      MET  12   2.090  -3.655  -3.630
   92   2HB   MET  12           HB1      MET  12   3.707  -3.542  -4.327
   93   1HG   MET  12           HG2      MET  12   1.425  -5.183  -5.469
   94   2HG   MET  12           HG1      MET  12   1.962  -3.619  -6.087
   95   1HE   MET  12           HE1      MET  12   4.049  -4.652  -8.808
   96   2HE   MET  12           HE2      MET  12   4.044  -3.291  -7.688
   97   3HE   MET  12           HE3      MET  12   2.517  -3.974  -8.239
   98    H    TYR  13           HN       TYR  13   3.502  -5.046  -0.982
   99    HA   TYR  13           HA       TYR  13   5.295  -4.480   0.436
  100   1HB   TYR  13           HB2      TYR  13   6.330  -6.654  -1.362
  101   2HB   TYR  13           HB1      TYR  13   7.424  -5.887  -0.211
  102    HD1  TYR  13           HD1      TYR  13   5.804  -8.765  -0.477
  103    HD2  TYR  13           HD2      TYR  13   5.699  -5.310   2.071
  104    HE1  TYR  13           HE1      TYR  13   4.854 -10.143   1.350
  105    HE2  TYR  13           HE2      TYR  13   4.749  -6.685   3.898
  106    HH   TYR  13           HH       TYR  13   4.630  -9.002   4.583
  107    H    ASP  14           HN       ASP  14   4.908  -2.615  -1.656
  108    HA   ASP  14           HA       ASP  14   7.676  -1.977  -2.559
  109   1HB   ASP  14           HB2      ASP  14   5.008  -0.799  -3.394
  110   2HB   ASP  14           HB1      ASP  14   6.574  -0.361  -4.071
  111    H    CYS  15           HN       CYS  15   5.201  -1.012  -0.346
  112    HA   CYS  15           HA       CYS  15   5.692   1.725   0.035
  113   1HB   CYS  15           HB2      CYS  15   5.249  -0.320   2.223
  114   2HB   CYS  15           HB1      CYS  15   4.984   1.423   2.332
  115    H    CYS  16           HN       CYS  16   7.468   2.735   0.298
  116    HA   CYS  16           HA       CYS  16  10.014   1.745   0.827
  117   1HB   CYS  16           HB2      CYS  16   8.944   4.195   0.330
  118   2HB   CYS  16           HB1      CYS  16   9.392   4.372   2.019
  119    H    THR  17           HN       THR  17   7.404   2.421   3.060
  120    HA   THR  17           HA       THR  17   9.206   1.975   5.378
  121    HB   THR  17           HB       THR  17   7.802   3.865   5.712
  122    HG1  THR  17           HG1      THR  17   7.380   3.109   7.605
  123   1HG2  THR  17          HG21      THR  17   5.249   3.522   5.504
  124   2HG2  THR  17          HG22      THR  17   5.657   2.085   4.566
  125   3HG2  THR  17          HG23      THR  17   6.175   3.677   4.012
  126    H    GLY  18           HN       GLY  18   6.118   1.093   6.285
  127   1HA   GLY  18           HA2      GLY  18   6.872  -1.677   6.587
  128   2HA   GLY  18           HA1      GLY  18   5.290  -0.995   6.963
  129    H    SER  19           HN       SER  19   3.654  -1.665   5.677
  130    HA   SER  19           HA       SER  19   4.328  -2.547   2.900
  131   1HB   SER  19           HB2      SER  19   2.279  -4.166   3.388
  132   2HB   SER  19           HB1      SER  19   3.915  -4.612   3.867
  133    HG   SER  19           HG       SER  19   1.829  -4.376   5.414
  134    H    CYS  20           HN       CYS  20   1.787  -3.045   1.978
  135    HA   CYS  20           HA       CYS  20   0.767  -0.387   1.521
  136   1HB   CYS  20           HB2      CYS  20  -0.650  -3.017   1.017
  137   2HB   CYS  20           HB1      CYS  20  -0.963  -1.477   0.224
  138    H    ARG  21           HN       ARG  21  -1.239   0.498   2.241
  139    HA   ARG  21           HA       ARG  21  -2.520  -0.902   4.536
  140   1HB   ARG  21           HB2      ARG  21  -0.972   1.283   4.852
  141   2HB   ARG  21           HB1      ARG  21  -2.515   2.061   4.526
  142   1HG   ARG  21           HG2      ARG  21  -3.359   1.445   6.512
  143   2HG   ARG  21           HG1      ARG  21  -2.747  -0.200   6.363
  144   1HD   ARG  21           HD2      ARG  21  -0.458   1.367   6.719
  145   2HD   ARG  21           HD1      ARG  21  -1.633   2.046   7.847
  146    HE   ARG  21           HE       ARG  21  -1.842  -0.674   8.275
  147   1HH1  ARG  21          HH21      ARG  21   0.738   1.623   8.152
  148   2HH1  ARG  21          HH22      ARG  21   1.713   0.783   9.312
  149   1HH2  ARG  21          HH11      ARG  21  -0.580  -1.774   9.793
  150   2HH2  ARG  21          HH12      ARG  21   0.966  -1.135  10.241
  151    H    SER  22           HN       SER  22  -4.624  -1.207   4.109
  152    HA   SER  22           HA       SER  22  -6.660  -1.097   2.907
  153   1HB   SER  22           HB2      SER  22  -6.413   1.106   4.436
  154   2HB   SER  22           HB1      SER  22  -6.456   1.877   2.854
  155    HG   SER  22           HG       SER  22  -8.554   1.625   3.615
  156    H    GLY  23           HN       GLY  23  -4.074  -1.010   1.369
  157   1HA   GLY  23           HA2      GLY  23  -3.936  -1.183  -1.052
  158   2HA   GLY  23           HA1      GLY  23  -5.211   0.023  -1.184
  159    H    LYS  24           HN       LYS  24  -4.114   1.860   0.745
  160    HA   LYS  24           HA       LYS  24  -2.028   3.026  -0.998
  161   1HB   LYS  24           HB2      LYS  24  -3.535   4.139   1.383
  162   2HB   LYS  24           HB1      LYS  24  -2.336   5.037   0.454
  163   1HG   LYS  24           HG2      LYS  24  -3.679   5.142  -1.447
  164   2HG   LYS  24           HG1      LYS  24  -4.607   3.714  -0.991
  165   1HD   LYS  24           HD2      LYS  24  -4.828   5.908   0.949
  166   2HD   LYS  24           HD1      LYS  24  -5.446   6.322  -0.651
  167   1HE   LYS  24           HE2      LYS  24  -6.269   3.646   0.086
  168   2HE   LYS  24           HE1      LYS  24  -6.757   4.804   1.324
  169   1HZ   LYS  24           HZ1      LYS  24  -8.234   5.741  -0.036
  170   2HZ   LYS  24           HZ2      LYS  24  -8.074   4.346  -0.992
  171   3HZ   LYS  24           HZ3      LYS  24  -7.176   5.742  -1.362
  172   1H    CYS  25           H1       CYS  25   2.601   2.626   3.519
  173    H    CYS  25           HN       CYS  25   0.056   3.367  -0.330
  174    HA   CYS  25           HA       CYS  25   1.214   1.625   1.572
  175   1HB   CYS  25           HB2      CYS  25   2.127   4.067   0.122
  176   2HB   CYS  25           HB1      CYS  25   3.091   3.527   1.496
  Start of MODEL   18
    1   2H    CYS   1           HT2      CYS   1  10.964   3.163  -5.141
    2   3H    CYS   1           HT3      CYS   1  11.521   1.562  -5.039
    3    HA   CYS   1           HA       CYS   1   9.864   1.183  -3.626
    4   1HB   CYS   1           HB2      CYS   1  10.318   1.712  -1.347
    5   2HB   CYS   1           HB1      CYS   1  11.893   1.520  -2.115
    6    H    LYS   2           HN       LYS   2   8.048   2.174  -2.273
    7    HA   LYS   2           HA       LYS   2   7.343   4.837  -3.423
    8   1HB   LYS   2           HB2      LYS   2   5.647   2.422  -2.790
    9   2HB   LYS   2           HB1      LYS   2   4.940   4.025  -2.999
   10   1HG   LYS   2           HG2      LYS   2   6.841   2.964  -5.069
   11   2HG   LYS   2           HG1      LYS   2   5.158   2.437  -5.076
   12   1HD   LYS   2           HD2      LYS   2   4.360   4.526  -5.629
   13   2HD   LYS   2           HD1      LYS   2   5.670   5.362  -4.796
   14   1HE   LYS   2           HE2      LYS   2   6.375   5.732  -6.947
   15   2HE   LYS   2           HE1      LYS   2   7.104   4.142  -6.720
   16   1HZ   LYS   2           HZ1      LYS   2   4.404   3.869  -7.503
   17   2HZ   LYS   2           HZ2      LYS   2   5.805   3.314  -8.289
   18   3HZ   LYS   2           HZ3      LYS   2   5.211   4.874  -8.605
   19    H    GLY   3           HN       GLY   3   5.557   5.912  -1.967
   20   1HA   GLY   3           HA2      GLY   3   6.407   5.596   0.885
   21   2HA   GLY   3           HA1      GLY   3   6.024   7.162   0.166
   22    H    LYS   4           HN       LYS   4   4.554   6.713   2.332
   23    HA   LYS   4           HA       LYS   4   2.244   5.106   2.093
   24   1HB   LYS   4           HB2      LYS   4   3.000   7.540   3.653
   25   2HB   LYS   4           HB1      LYS   4   1.337   6.988   3.676
   26   1HG   LYS   4           HG2      LYS   4   1.836   5.263   5.023
   27   2HG   LYS   4           HG1      LYS   4   3.173   4.772   3.990
   28   1HD   LYS   4           HD2      LYS   4   4.198   5.335   6.056
   29   2HD   LYS   4           HD1      LYS   4   4.467   6.746   5.032
   30   1HE   LYS   4           HE2      LYS   4   2.041   7.359   6.121
   31   2HE   LYS   4           HE1      LYS   4   2.784   6.466   7.447
   32   1HZ   LYS   4           HZ1      LYS   4   3.344   9.083   6.530
   33   2HZ   LYS   4           HZ2      LYS   4   4.746   8.127   6.439
   34   3HZ   LYS   4           HZ3      LYS   4   3.921   8.289   7.914
   35    H    GLY   5           HN       GLY   5   0.167   5.593   1.382
   36   1HA   GLY   5           HA2      GLY   5  -1.541   6.869   0.308
   37   2HA   GLY   5           HA1      GLY   5  -0.391   8.194   0.116
   38    H    ALA   6           HN       ALA   6   1.500   5.910  -0.908
   39    HA   ALA   6           HA       ALA   6   0.936   6.393  -3.720
   40   1HB   ALA   6           HB1      ALA   6   2.892   4.779  -4.023
   41   2HB   ALA   6           HB2      ALA   6   2.992   4.718  -2.265
   42   3HB   ALA   6           HB3      ALA   6   3.248   6.245  -3.110
   43    H    LYS   7           HN       LYS   7  -1.320   5.337  -3.185
   44    HA   LYS   7           HA       LYS   7  -2.322   3.028  -2.748
   45   1HB   LYS   7           HB2      LYS   7  -2.396   4.444  -5.364
   46   2HB   LYS   7           HB1      LYS   7  -3.170   2.859  -5.241
   47   1HG   LYS   7           HG2      LYS   7  -4.744   3.590  -3.765
   48   2HG   LYS   7           HG1      LYS   7  -3.654   4.738  -3.013
   49   1HD   LYS   7           HD2      LYS   7  -4.888   6.291  -4.145
   50   2HD   LYS   7           HD1      LYS   7  -3.884   5.812  -5.515
   51   1HE   LYS   7           HE2      LYS   7  -5.769   5.183  -6.574
   52   2HE   LYS   7           HE1      LYS   7  -5.925   3.884  -5.394
   53   1HZ   LYS   7           HZ1      LYS   7  -6.826   6.565  -4.637
   54   2HZ   LYS   7           HZ2      LYS   7  -7.425   5.047  -4.163
   55   3HZ   LYS   7           HZ3      LYS   7  -7.799   5.669  -5.700
   56    H    CYS   8           HN       CYS   8  -1.893   0.937  -2.806
   57    HA   CYS   8           HA       CYS   8   0.125   0.002  -4.813
   58   1HB   CYS   8           HB2      CYS   8   1.369  -0.708  -3.064
   59   2HB   CYS   8           HB1      CYS   8   0.148  -0.134  -1.943
   60    H    SER   9           HN       SER   9  -0.178  -2.639  -4.863
   61    HA   SER   9           HA       SER   9  -2.964  -2.991  -5.778
   62   1HB   SER   9           HB2      SER   9  -0.359  -4.252  -6.307
   63   2HB   SER   9           HB1      SER   9  -1.703  -5.387  -6.202
   64    HG   SER   9           HG       SER   9  -1.401  -4.528  -8.325
   65    H    ARG  10           HN       ARG  10  -0.704  -5.031  -4.013
   66    HA   ARG  10           HA       ARG  10  -2.057  -5.295  -1.595
   67   1HB   ARG  10           HB2      ARG  10  -3.285  -7.493  -1.989
   68   2HB   ARG  10           HB1      ARG  10  -4.041  -6.074  -2.714
   69   1HG   ARG  10           HG2      ARG  10  -2.877  -6.620  -4.866
   70   2HG   ARG  10           HG1      ARG  10  -2.287  -8.107  -4.122
   71   1HD   ARG  10           HD2      ARG  10  -4.275  -9.144  -4.386
   72   2HD   ARG  10           HD1      ARG  10  -5.164  -7.754  -3.759
   73    HE   ARG  10           HE       ARG  10  -4.407  -6.948  -6.293
   74   1HH1  ARG  10          HH21      ARG  10  -6.009  -9.688  -4.931
   75   2HH1  ARG  10          HH22      ARG  10  -6.989  -9.970  -6.329
   76   1HH2  ARG  10          HH11      ARG  10  -5.683  -7.307  -8.122
   77   2HH2  ARG  10          HH12      ARG  10  -6.806  -8.626  -8.133
   78    H    LEU  11           HN       LEU  11  -0.223  -5.895  -0.597
   79    HA   LEU  11           HA       LEU  11   1.505  -7.299   0.130
   80   1HB   LEU  11           HB2      LEU  11  -0.184  -9.092  -1.476
   81   2HB   LEU  11           HB1      LEU  11   1.495  -9.602  -1.285
   82    HG   LEU  11           HG       LEU  11  -0.305  -8.738   0.991
   83   1HD1  LEU  11          HD11      LEU  11  -1.202 -10.781   0.335
   84   2HD1  LEU  11          HD12      LEU  11   0.016 -11.274   1.511
   85   3HD1  LEU  11          HD13      LEU  11   0.355 -11.398  -0.216
   86   1HD2  LEU  11          HD21      LEU  11   2.543  -9.637   0.736
   87   2HD2  LEU  11          HD22      LEU  11   1.639 -10.104   2.176
   88   3HD2  LEU  11          HD23      LEU  11   1.853  -8.398   1.785
   89    H    MET  12           HN       MET  12   1.429  -5.672  -2.599
   90    HA   MET  12           HA       MET  12   3.441  -6.908  -4.252
   91   1HB   MET  12           HB2      MET  12   2.212  -4.190  -4.037
   92   2HB   MET  12           HB1      MET  12   3.737  -4.336  -4.910
   93   1HG   MET  12           HG2      MET  12   2.601  -6.321  -6.138
   94   2HG   MET  12           HG1      MET  12   1.092  -5.648  -5.519
   95   1HE   MET  12           HE1      MET  12   0.832  -5.049  -8.945
   96   2HE   MET  12           HE2      MET  12   1.715  -6.327  -8.114
   97   3HE   MET  12           HE3      MET  12   2.568  -5.250  -9.217
   98    H    TYR  13           HN       TYR  13   3.543  -4.861  -1.412
   99    HA   TYR  13           HA       TYR  13   5.335  -4.260  -0.032
  100   1HB   TYR  13           HB2      TYR  13   6.353  -6.612  -1.542
  101   2HB   TYR  13           HB1      TYR  13   7.558  -5.605  -0.737
  102    HD1  TYR  13           HD1      TYR  13   7.924  -5.806   1.576
  103    HD2  TYR  13           HD2      TYR  13   4.312  -7.358  -0.151
  104    HE1  TYR  13           HE1      TYR  13   7.322  -6.828   3.754
  105    HE2  TYR  13           HE2      TYR  13   3.710  -8.380   2.025
  106    HH   TYR  13           HH       TYR  13   5.731  -7.887   4.911
  107    H    ASP  14           HN       ASP  14   4.994  -2.261  -1.557
  108    HA   ASP  14           HA       ASP  14   7.593  -1.724  -2.945
  109   1HB   ASP  14           HB2      ASP  14   4.773  -0.971  -3.626
  110   2HB   ASP  14           HB1      ASP  14   6.075   0.132  -4.070
  111    H    CYS  15           HN       CYS  15   5.382  -0.796  -0.471
  112    HA   CYS  15           HA       CYS  15   6.075   1.967  -0.161
  113   1HB   CYS  15           HB2      CYS  15   5.485   0.136   2.158
  114   2HB   CYS  15           HB1      CYS  15   5.084   1.844   1.968
  115    H    CYS  16           HN       CYS  16   7.853   2.849   0.330
  116    HA   CYS  16           HA       CYS  16  10.295   1.546   0.800
  117   1HB   CYS  16           HB2      CYS  16   9.414   4.124   0.378
  118   2HB   CYS  16           HB1      CYS  16  10.049   4.192   2.011
  119    H    THR  17           HN       THR  17   7.959   2.919   3.119
  120    HA   THR  17           HA       THR  17   9.276   1.286   5.235
  121    HB   THR  17           HB       THR  17   8.494   3.447   6.679
  122    HG1  THR  17           HG1      THR  17   9.616   4.581   4.362
  123   1HG2  THR  17          HG21      THR  17  10.663   3.191   7.197
  124   2HG2  THR  17          HG22      THR  17  11.089   4.078   5.732
  125   3HG2  THR  17          HG23      THR  17  10.947   2.320   5.689
  126    H    GLY  18           HN       GLY  18   7.497  -0.184   5.066
  127   1HA   GLY  18           HA2      GLY  18   5.498  -0.427   6.703
  128   2HA   GLY  18           HA1      GLY  18   4.835   0.946   5.813
  129    H    SER  19           HN       SER  19   3.072  -0.768   5.453
  130    HA   SER  19           HA       SER  19   3.741  -2.299   2.973
  131   1HB   SER  19           HB2      SER  19   1.552  -3.396   4.605
  132   2HB   SER  19           HB1      SER  19   2.885  -4.226   3.808
  133    HG   SER  19           HG       SER  19   2.742  -4.015   6.277
  134    H    CYS  20           HN       CYS  20   1.193  -3.141   2.307
  135    HA   CYS  20           HA       CYS  20  -0.021  -0.601   1.458
  136   1HB   CYS  20           HB2      CYS  20  -1.020  -3.421   0.954
  137   2HB   CYS  20           HB1      CYS  20  -1.452  -1.968   0.059
  138    H    ARG  21           HN       ARG  21  -1.027   0.305   3.312
  139    HA   ARG  21           HA       ARG  21  -3.023  -1.421   4.693
  140   1HB   ARG  21           HB2      ARG  21  -2.929   0.082   6.525
  141   2HB   ARG  21           HB1      ARG  21  -1.255  -0.090   6.002
  142   1HG   ARG  21           HG2      ARG  21  -1.478   1.985   4.672
  143   2HG   ARG  21           HG1      ARG  21  -3.131   2.170   5.254
  144   1HD   ARG  21           HD2      ARG  21  -1.882   3.522   6.734
  145   2HD   ARG  21           HD1      ARG  21  -2.096   2.018   7.626
  146    HE   ARG  21           HE       ARG  21   0.306   1.681   6.256
  147   1HH1  ARG  21          HH21      ARG  21  -1.065   3.969   8.451
  148   2HH1  ARG  21          HH22      ARG  21   0.460   4.414   9.139
  149   1HH2  ARG  21          HH11      ARG  21   2.301   2.255   7.148
  150   2HH2  ARG  21          HH12      ARG  21   2.363   3.450   8.401
  151    H    SER  22           HN       SER  22  -5.198  -0.950   4.531
  152    HA   SER  22           HA       SER  22  -7.152   0.049   3.695
  153   1HB   SER  22           HB2      SER  22  -5.772   2.076   4.868
  154   2HB   SER  22           HB1      SER  22  -5.839   2.665   3.210
  155    HG   SER  22           HG       SER  22  -7.995   2.730   3.305
  156    H    GLY  23           HN       GLY  23  -4.796  -0.916   1.934
  157   1HA   GLY  23           HA2      GLY  23  -4.817  -1.340  -0.416
  158   2HA   GLY  23           HA1      GLY  23  -6.023  -0.068  -0.611
  159    H    LYS  24           HN       LYS  24  -3.933   1.434   1.297
  160    HA   LYS  24           HA       LYS  24  -2.332   2.425  -1.019
  161   1HB   LYS  24           HB2      LYS  24  -3.323   3.818   1.473
  162   2HB   LYS  24           HB1      LYS  24  -2.087   4.513   0.421
  163   1HG   LYS  24           HG2      LYS  24  -3.935   3.820  -1.428
  164   2HG   LYS  24           HG1      LYS  24  -4.983   4.152  -0.055
  165   1HD   LYS  24           HD2      LYS  24  -2.863   6.043  -1.106
  166   2HD   LYS  24           HD1      LYS  24  -4.593   6.186  -1.425
  167   1HE   LYS  24           HE2      LYS  24  -4.930   6.230   1.101
  168   2HE   LYS  24           HE1      LYS  24  -3.182   6.415   1.242
  169   1HZ   LYS  24           HZ1      LYS  24  -5.177   8.312   0.342
  170   2HZ   LYS  24           HZ2      LYS  24  -3.751   8.275  -0.580
  171   3HZ   LYS  24           HZ3      LYS  24  -3.679   8.584   1.088
  172   1H    CYS  25           H1       CYS  25   2.669   1.939   3.117
  173    H    CYS  25           HN       CYS  25  -0.221   3.481  -0.209
  174    HA   CYS  25           HA       CYS  25   1.295   1.405   1.140
  175   1HB   CYS  25           HB2      CYS  25   1.872   3.900  -0.290
  176   2HB   CYS  25           HB1      CYS  25   2.944   3.624   1.083
  Start of MODEL   19
    1   2H    CYS   1           HT2      CYS   1  12.050   2.641  -4.024
    2   3H    CYS   1           HT3      CYS   1  10.960   2.086  -5.203
    3    HA   CYS   1           HA       CYS   1   9.735   0.887  -3.421
    4   1HB   CYS   1           HB2      CYS   1  10.233   1.325  -1.153
    5   2HB   CYS   1           HB1      CYS   1  11.799   0.993  -1.886
    6    H    LYS   2           HN       LYS   2   8.152   2.244  -1.989
    7    HA   LYS   2           HA       LYS   2   7.876   4.968  -3.167
    8   1HB   LYS   2           HB2      LYS   2   5.896   2.722  -3.036
    9   2HB   LYS   2           HB1      LYS   2   5.323   4.388  -2.994
   10   1HG   LYS   2           HG2      LYS   2   7.368   3.894  -5.044
   11   2HG   LYS   2           HG1      LYS   2   5.887   2.974  -5.283
   12   1HD   LYS   2           HD2      LYS   2   4.713   5.271  -4.766
   13   2HD   LYS   2           HD1      LYS   2   6.274   5.947  -5.232
   14   1HE   LYS   2           HE2      LYS   2   4.642   4.030  -6.922
   15   2HE   LYS   2           HE1      LYS   2   4.717   5.776  -7.162
   16   1HZ   LYS   2           HZ1      LYS   2   6.262   4.527  -8.594
   17   2HZ   LYS   2           HZ2      LYS   2   7.074   3.970  -7.207
   18   3HZ   LYS   2           HZ3      LYS   2   7.056   5.629  -7.577
   19    H    GLY   3           HN       GLY   3   6.227   6.285  -1.884
   20   1HA   GLY   3           HA2      GLY   3   6.665   5.755   1.024
   21   2HA   GLY   3           HA1      GLY   3   6.346   7.347   0.329
   22    H    LYS   4           HN       LYS   4   4.752   6.464   2.450
   23    HA   LYS   4           HA       LYS   4   2.448   5.023   1.857
   24   1HB   LYS   4           HB2      LYS   4   1.511   6.033   3.737
   25   2HB   LYS   4           HB1      LYS   4   3.227   6.177   4.045
   26   1HG   LYS   4           HG2      LYS   4   2.887   8.462   2.709
   27   2HG   LYS   4           HG1      LYS   4   1.252   8.280   3.334
   28   1HD   LYS   4           HD2      LYS   4   2.030   8.205   5.605
   29   2HD   LYS   4           HD1      LYS   4   3.709   8.069   5.086
   30   1HE   LYS   4           HE2      LYS   4   2.197  10.435   4.099
   31   2HE   LYS   4           HE1      LYS   4   2.613  10.419   5.813
   32   1HZ   LYS   4           HZ1      LYS   4   4.277  11.355   4.070
   33   2HZ   LYS   4           HZ2      LYS   4   4.668   9.718   3.837
   34   3HZ   LYS   4           HZ3      LYS   4   4.844  10.426   5.371
   35    H    GLY   5           HN       GLY   5   0.341   5.715   1.156
   36   1HA   GLY   5           HA2      GLY   5  -1.177   7.182   0.016
   37   2HA   GLY   5           HA1      GLY   5   0.156   8.310  -0.245
   38    H    ALA   6           HN       ALA   6   1.814   5.863  -1.085
   39    HA   ALA   6           HA       ALA   6   1.223   6.085  -3.929
   40   1HB   ALA   6           HB1      ALA   6   3.255   4.491  -2.349
   41   2HB   ALA   6           HB2      ALA   6   3.543   5.929  -3.330
   42   3HB   ALA   6           HB3      ALA   6   3.126   4.401  -4.107
   43    H    LYS   7           HN       LYS   7  -1.036   5.195  -3.413
   44    HA   LYS   7           HA       LYS   7  -2.064   2.934  -2.640
   45   1HB   LYS   7           HB2      LYS   7  -2.259   4.097  -5.390
   46   2HB   LYS   7           HB1      LYS   7  -3.147   2.625  -4.983
   47   1HG   LYS   7           HG2      LYS   7  -4.594   3.731  -3.660
   48   2HG   LYS   7           HG1      LYS   7  -3.318   4.676  -2.914
   49   1HD   LYS   7           HD2      LYS   7  -3.245   5.972  -5.161
   50   2HD   LYS   7           HD1      LYS   7  -4.819   5.240  -5.469
   51   1HE   LYS   7           HE2      LYS   7  -5.176   6.135  -2.922
   52   2HE   LYS   7           HE1      LYS   7  -4.069   7.358  -3.545
   53   1HZ   LYS   7           HZ1      LYS   7  -6.750   6.620  -4.530
   54   2HZ   LYS   7           HZ2      LYS   7  -5.634   7.395  -5.550
   55   3HZ   LYS   7           HZ3      LYS   7  -6.153   8.153  -4.122
   56    H    CYS   8           HN       CYS   8  -1.953   0.777  -2.807
   57    HA   CYS   8           HA       CYS   8  -0.060  -0.382  -4.813
   58   1HB   CYS   8           HB2      CYS   8   1.335  -0.991  -3.123
   59   2HB   CYS   8           HB1      CYS   8   0.245  -0.297  -1.941
   60    H    SER   9           HN       SER   9  -0.507  -3.013  -4.592
   61    HA   SER   9           HA       SER   9  -3.405  -3.254  -5.112
   62   1HB   SER   9           HB2      SER   9  -1.954  -4.301  -6.751
   63   2HB   SER   9           HB1      SER   9  -1.091  -5.169  -5.484
   64    HG   SER   9           HG       SER   9  -2.725  -6.527  -5.286
   65    H    ARG  10           HN       ARG  10  -1.155  -5.464  -3.538
   66    HA   ARG  10           HA       ARG  10  -2.467  -5.292  -0.963
   67   1HB   ARG  10           HB2      ARG  10  -3.585  -7.425  -0.920
   68   2HB   ARG  10           HB1      ARG  10  -4.156  -6.565  -2.350
   69   1HG   ARG  10           HG2      ARG  10  -2.044  -7.816  -3.439
   70   2HG   ARG  10           HG1      ARG  10  -2.404  -8.970  -2.160
   71   1HD   ARG  10           HD2      ARG  10  -3.986  -8.253  -4.566
   72   2HD   ARG  10           HD1      ARG  10  -3.835  -9.806  -3.753
   73    HE   ARG  10           HE       ARG  10  -5.980  -7.964  -3.423
   74   1HH1  ARG  10          HH21      ARG  10  -3.815  -9.847  -1.494
   75   2HH1  ARG  10          HH22      ARG  10  -4.797  -9.739  -0.074
   76   1HH2  ARG  10          HH11      ARG  10  -7.264  -7.843  -1.588
   77   2HH2  ARG  10          HH12      ARG  10  -6.747  -8.619  -0.128
   78    H    LEU  11           HN       LEU  11   0.241  -5.642  -2.477
   79    HA   LEU  11           HA       LEU  11   1.881  -6.558  -0.510
   80   1HB   LEU  11           HB2      LEU  11   0.334  -8.796  -1.580
   81   2HB   LEU  11           HB1      LEU  11   2.076  -9.064  -1.692
   82    HG   LEU  11           HG       LEU  11   1.353  -7.851   0.847
   83   1HD1  LEU  11          HD11      LEU  11   0.473 -10.580   1.084
   84   2HD1  LEU  11          HD12      LEU  11  -0.503  -9.754  -0.132
   85   3HD1  LEU  11          HD13      LEU  11  -0.394  -9.101   1.502
   86   1HD2  LEU  11          HD21      LEU  11   2.549 -10.573   0.271
   87   2HD2  LEU  11          HD22      LEU  11   2.790  -9.571   1.702
   88   3HD2  LEU  11          HD23      LEU  11   3.479  -9.080   0.156
   89    H    MET  12           HN       MET  12   1.901  -4.988  -2.946
   90    HA   MET  12           HA       MET  12   3.677  -6.367  -4.829
   91   1HB   MET  12           HB2      MET  12   2.382  -3.679  -4.662
   92   2HB   MET  12           HB1      MET  12   3.832  -3.833  -5.654
   93   1HG   MET  12           HG2      MET  12   2.311  -6.088  -6.297
   94   2HG   MET  12           HG1      MET  12   1.132  -4.780  -6.187
   95   1HE   MET  12           HE1      MET  12   2.869  -2.045  -8.413
   96   2HE   MET  12           HE2      MET  12   3.313  -2.393  -6.745
   97   3HE   MET  12           HE3      MET  12   1.615  -2.391  -7.215
   98    H    TYR  13           HN       TYR  13   4.253  -5.386  -1.827
   99    HA   TYR  13           HA       TYR  13   6.114  -4.498  -0.681
  100   1HB   TYR  13           HB2      TYR  13   7.739  -5.633  -2.949
  101   2HB   TYR  13           HB1      TYR  13   8.118  -5.608  -1.227
  102    HD1  TYR  13           HD1      TYR  13   6.734  -7.021   0.356
  103    HD2  TYR  13           HD2      TYR  13   6.527  -7.429  -3.912
  104    HE1  TYR  13           HE1      TYR  13   5.699  -9.259   0.622
  105    HE2  TYR  13           HE2      TYR  13   5.492  -9.666  -3.650
  106    HH   TYR  13           HH       TYR  13   4.006 -10.761  -1.492
  107    H    ASP  14           HN       ASP  14   4.973  -2.479  -2.144
  108    HA   ASP  14           HA       ASP  14   7.227  -1.203  -3.617
  109   1HB   ASP  14           HB2      ASP  14   5.413   0.462  -4.281
  110   2HB   ASP  14           HB1      ASP  14   5.225  -1.171  -4.920
  111    H    CYS  15           HN       CYS  15   5.037  -0.769  -0.875
  112    HA   CYS  15           HA       CYS  15   5.803   1.913  -0.209
  113   1HB   CYS  15           HB2      CYS  15   5.159  -0.143   1.895
  114   2HB   CYS  15           HB1      CYS  15   4.754   1.572   1.859
  115    H    CYS  16           HN       CYS  16   7.597   2.682   0.457
  116    HA   CYS  16           HA       CYS  16   9.963   1.148   0.898
  117   1HB   CYS  16           HB2      CYS  16   9.366   3.759   0.370
  118   2HB   CYS  16           HB1      CYS  16   9.823   3.846   2.063
  119    H    THR  17           HN       THR  17   7.528   2.500   3.076
  120    HA   THR  17           HA       THR  17   9.009   1.265   5.359
  121    HB   THR  17           HB       THR  17   8.965   3.619   5.731
  122    HG1  THR  17           HG1      THR  17   7.327   3.748   7.449
  123   1HG2  THR  17          HG21      THR  17   6.245   3.373   4.539
  124   2HG2  THR  17          HG22      THR  17   7.477   4.609   4.282
  125   3HG2  THR  17          HG23      THR  17   6.488   4.639   5.742
  126    H    GLY  18           HN       GLY  18   5.977   2.338   6.322
  127   1HA   GLY  18           HA2      GLY  18   4.935  -0.087   7.103
  128   2HA   GLY  18           HA1      GLY  18   3.901   1.253   6.605
  129    H    SER  19           HN       SER  19   3.092  -1.361   6.124
  130    HA   SER  19           HA       SER  19   3.754  -1.972   3.306
  131   1HB   SER  19           HB2      SER  19   3.584  -3.837   4.910
  132   2HB   SER  19           HB1      SER  19   1.923  -3.380   5.277
  133    HG   SER  19           HG       SER  19   2.021  -5.037   3.708
  134    H    CYS  20           HN       CYS  20   1.487  -2.837   2.185
  135    HA   CYS  20           HA       CYS  20   0.070  -0.470   1.466
  136   1HB   CYS  20           HB2      CYS  20  -0.975  -3.303   1.237
  137   2HB   CYS  20           HB1      CYS  20  -1.403  -1.919   0.232
  138    H    ARG  21           HN       ARG  21  -1.040   0.636   3.077
  139    HA   ARG  21           HA       ARG  21  -2.699  -0.925   4.983
  140   1HB   ARG  21           HB2      ARG  21  -1.119   1.134   5.535
  141   2HB   ARG  21           HB1      ARG  21  -2.537   2.063   5.054
  142   1HG   ARG  21           HG2      ARG  21  -2.955  -0.228   6.920
  143   2HG   ARG  21           HG1      ARG  21  -2.204   1.228   7.572
  144   1HD   ARG  21           HD2      ARG  21  -4.123   2.522   6.469
  145   2HD   ARG  21           HD1      ARG  21  -4.911   0.960   6.255
  146    HE   ARG  21           HE       ARG  21  -4.235   0.999   8.943
  147   1HH1  ARG  21          HH21      ARG  21  -5.942   3.063   6.763
  148   2HH1  ARG  21          HH22      ARG  21  -7.004   3.684   7.979
  149   1HH2  ARG  21          HH11      ARG  21  -5.615   1.802  10.538
  150   2HH2  ARG  21          HH12      ARG  21  -6.820   2.972  10.115
  151    H    SER  22           HN       SER  22  -4.915  -0.909   4.870
  152    HA   SER  22           HA       SER  22  -7.003  -0.683   3.800
  153   1HB   SER  22           HB2      SER  22  -6.091   2.203   3.602
  154   2HB   SER  22           HB1      SER  22  -7.753   1.621   3.575
  155    HG   SER  22           HG       SER  22  -7.435   2.147   5.652
  156    H    GLY  23           HN       GLY  23  -4.514  -1.116   2.080
  157   1HA   GLY  23           HA2      GLY  23  -4.535  -1.642  -0.271
  158   2HA   GLY  23           HA1      GLY  23  -5.852  -0.487  -0.490
  159    H    LYS  24           HN       LYS  24  -4.207   1.437   1.275
  160    HA   LYS  24           HA       LYS  24  -2.560   2.456  -0.977
  161   1HB   LYS  24           HB2      LYS  24  -3.596   3.839   1.510
  162   2HB   LYS  24           HB1      LYS  24  -2.627   4.616   0.257
  163   1HG   LYS  24           HG2      LYS  24  -4.329   4.481  -1.336
  164   2HG   LYS  24           HG1      LYS  24  -5.131   3.146  -0.511
  165   1HD   LYS  24           HD2      LYS  24  -5.049   6.047   0.365
  166   2HD   LYS  24           HD1      LYS  24  -6.464   5.144  -0.177
  167   1HE   LYS  24           HE2      LYS  24  -6.784   4.838   2.065
  168   2HE   LYS  24           HE1      LYS  24  -5.617   3.534   1.837
  169   1HZ   LYS  24           HZ1      LYS  24  -5.342   5.962   3.294
  170   2HZ   LYS  24           HZ2      LYS  24  -4.111   5.805   2.135
  171   3HZ   LYS  24           HZ3      LYS  24  -4.348   4.588   3.297
  172   1H    CYS  25           H1       CYS  25   2.526   2.219   2.997
  173    H    CYS  25           HN       CYS  25  -0.375   3.071  -0.630
  174    HA   CYS  25           HA       CYS  25   1.143   1.421   1.104
  175   1HB   CYS  25           HB2      CYS  25   1.685   3.789  -0.589
  176   2HB   CYS  25           HB1      CYS  25   2.808   3.556   0.748
  Start of MODEL   20
    1   2H    CYS   1           HT2      CYS   1  10.569   3.225  -5.760
    2   3H    CYS   1           HT3      CYS   1  11.474   1.825  -5.428
    3    HA   CYS   1           HA       CYS   1   9.679   1.344  -4.156
    4   1HB   CYS   1           HB2      CYS   1  10.180   1.791  -1.876
    5   2HB   CYS   1           HB1      CYS   1  11.741   1.725  -2.696
    6    H    LYS   2           HN       LYS   2   7.887   2.222  -2.663
    7    HA   LYS   2           HA       LYS   2   6.967   4.822  -3.792
    8   1HB   LYS   2           HB2      LYS   2   5.451   2.380  -2.876
    9   2HB   LYS   2           HB1      LYS   2   4.660   3.938  -3.116
   10   1HG   LYS   2           HG2      LYS   2   6.383   2.693  -5.257
   11   2HG   LYS   2           HG1      LYS   2   4.668   2.319  -5.108
   12   1HD   LYS   2           HD2      LYS   2   4.399   4.938  -5.036
   13   2HD   LYS   2           HD1      LYS   2   5.978   4.919  -5.823
   14   1HE   LYS   2           HE2      LYS   2   3.725   3.196  -6.843
   15   2HE   LYS   2           HE1      LYS   2   3.866   4.884  -7.335
   16   1HZ   LYS   2           HZ1      LYS   2   5.510   2.607  -8.040
   17   2HZ   LYS   2           HZ2      LYS   2   6.371   4.026  -7.675
   18   3HZ   LYS   2           HZ3      LYS   2   5.199   4.032  -8.904
   19    H    GLY   3           HN       GLY   3   5.519   6.081  -2.308
   20   1HA   GLY   3           HA2      GLY   3   6.607   5.950   0.470
   21   2HA   GLY   3           HA1      GLY   3   5.951   7.404  -0.285
   22    H    LYS   4           HN       LYS   4   4.972   6.656   2.195
   23    HA   LYS   4           HA       LYS   4   2.794   4.909   2.296
   24   1HB   LYS   4           HB2      LYS   4   3.871   6.799   3.995
   25   2HB   LYS   4           HB1      LYS   4   2.249   7.413   3.695
   26   1HG   LYS   4           HG2      LYS   4   1.887   4.678   4.008
   27   2HG   LYS   4           HG1      LYS   4   3.085   5.083   5.231
   28   1HD   LYS   4           HD2      LYS   4   1.449   7.123   5.683
   29   2HD   LYS   4           HD1      LYS   4   0.261   6.037   4.960
   30   1HE   LYS   4           HE2      LYS   4   0.235   5.641   7.338
   31   2HE   LYS   4           HE1      LYS   4   1.032   4.259   6.585
   32   1HZ   LYS   4           HZ1      LYS   4   2.057   6.046   8.497
   33   2HZ   LYS   4           HZ2      LYS   4   2.983   6.178   7.078
   34   3HZ   LYS   4           HZ3      LYS   4   2.793   4.669   7.834
   35    H    GLY   5           HN       GLY   5   0.559   5.227   2.060
   36   1HA   GLY   5           HA2      GLY   5  -1.367   5.941   0.926
   37   2HA   GLY   5           HA1      GLY   5  -0.700   7.565   1.035
   38    H    ALA   6           HN       ALA   6   1.547   5.646  -0.561
   39    HA   ALA   6           HA       ALA   6   0.897   6.910  -3.106
   40   1HB   ALA   6           HB1      ALA   6   2.987   5.933  -3.887
   41   2HB   ALA   6           HB2      ALA   6   3.069   4.906  -2.457
   42   3HB   ALA   6           HB3      ALA   6   3.238   6.653  -2.296
   43    H    LYS   7           HN       LYS   7  -0.825   4.649  -1.912
   44    HA   LYS   7           HA       LYS   7  -1.956   2.785  -2.657
   45   1HB   LYS   7           HB2      LYS   7  -1.397   4.386  -5.112
   46   2HB   LYS   7           HB1      LYS   7  -2.191   2.808  -5.254
   47   1HG   LYS   7           HG2      LYS   7  -4.003   3.452  -3.983
   48   2HG   LYS   7           HG1      LYS   7  -3.095   4.673  -3.126
   49   1HD   LYS   7           HD2      LYS   7  -4.286   6.080  -4.512
   50   2HD   LYS   7           HD1      LYS   7  -2.952   5.716  -5.608
   51   1HE   LYS   7           HE2      LYS   7  -4.442   3.655  -6.278
   52   2HE   LYS   7           HE1      LYS   7  -5.751   4.630  -5.609
   53   1HZ   LYS   7           HZ1      LYS   7  -4.820   6.476  -7.065
   54   2HZ   LYS   7           HZ2      LYS   7  -5.661   5.222  -7.844
   55   3HZ   LYS   7           HZ3      LYS   7  -3.963   5.257  -7.877
   56    H    CYS   8           HN       CYS   8  -1.362   0.793  -2.615
   57    HA   CYS   8           HA       CYS   8   1.094  -0.010  -4.122
   58   1HB   CYS   8           HB2      CYS   8   1.964  -0.736  -2.176
   59   2HB   CYS   8           HB1      CYS   8   0.544  -0.150  -1.332
   60    H    SER   9           HN       SER   9   0.981  -2.653  -4.241
   61    HA   SER   9           HA       SER   9  -1.484  -3.165  -5.801
   62   1HB   SER   9           HB2      SER   9   1.246  -4.005  -5.864
   63   2HB   SER   9           HB1      SER   9   0.212  -5.420  -5.754
   64    HG   SER   9           HG       SER   9   0.175  -3.337  -7.677
   65    H    ARG  10           HN       ARG  10  -1.652  -3.028  -2.957
   66    HA   ARG  10           HA       ARG  10  -2.935  -4.144  -1.323
   67   1HB   ARG  10           HB2      ARG  10  -3.371  -5.695  -3.668
   68   2HB   ARG  10           HB1      ARG  10  -3.014  -6.821  -2.357
   69   1HG   ARG  10           HG2      ARG  10  -5.096  -4.615  -2.293
   70   2HG   ARG  10           HG1      ARG  10  -5.423  -6.341  -2.442
   71   1HD   ARG  10           HD2      ARG  10  -3.793  -6.210  -0.213
   72   2HD   ARG  10           HD1      ARG  10  -4.785  -4.763  -0.053
   73    HE   ARG  10           HE       ARG  10  -5.652  -7.396   0.512
   74   1HH1  ARG  10          HH21      ARG  10  -6.688  -4.649  -1.330
   75   2HH1  ARG  10          HH22      ARG  10  -8.318  -5.207  -1.461
   76   1HH2  ARG  10          HH11      ARG  10  -7.777  -8.098   0.360
   77   2HH2  ARG  10          HH12      ARG  10  -8.937  -7.143  -0.501
   78    H    LEU  11           HN       LEU  11  -0.534  -6.374  -2.799
   79    HA   LEU  11           HA       LEU  11   0.865  -6.455  -0.192
   80   1HB   LEU  11           HB2      LEU  11  -0.666  -8.716  -1.382
   81   2HB   LEU  11           HB1      LEU  11   0.910  -9.101  -0.694
   82    HG   LEU  11           HG       LEU  11  -0.286  -7.377   1.168
   83   1HD1  LEU  11          HD11      LEU  11  -2.274  -9.006  -0.291
   84   2HD1  LEU  11          HD12      LEU  11  -2.508  -7.567   0.703
   85   3HD1  LEU  11          HD13      LEU  11  -2.348  -9.150   1.466
   86   1HD2  LEU  11          HD21      LEU  11  -0.531 -10.323   1.543
   87   2HD2  LEU  11          HD22      LEU  11   0.186  -9.112   2.605
   88   3HD2  LEU  11          HD23      LEU  11   1.084  -9.699   1.206
   89    H    MET  12           HN       MET  12   1.709  -5.290  -2.613
   90    HA   MET  12           HA       MET  12   3.567  -7.245  -3.843
   91   1HB   MET  12           HB2      MET  12   2.168  -5.411  -5.091
   92   2HB   MET  12           HB1      MET  12   3.455  -4.328  -4.562
   93   1HG   MET  12           HG2      MET  12   4.901  -5.158  -6.086
   94   2HG   MET  12           HG1      MET  12   4.503  -6.822  -5.660
   95   1HE   MET  12           HE1      MET  12   4.845  -7.126  -8.664
   96   2HE   MET  12           HE2      MET  12   3.310  -7.980  -8.788
   97   3HE   MET  12           HE3      MET  12   4.264  -8.108  -7.313
   98    H    TYR  13           HN       TYR  13   3.558  -5.224  -1.196
   99    HA   TYR  13           HA       TYR  13   5.261  -4.345   0.153
  100   1HB   TYR  13           HB2      TYR  13   7.076  -6.211  -1.389
  101   2HB   TYR  13           HB1      TYR  13   7.288  -5.622   0.259
  102    HD1  TYR  13           HD1      TYR  13   5.872  -8.190  -1.814
  103    HD2  TYR  13           HD2      TYR  13   5.511  -6.255   2.002
  104    HE1  TYR  13           HE1      TYR  13   4.575 -10.121  -0.959
  105    HE2  TYR  13           HE2      TYR  13   4.214  -8.185   2.860
  106    HH   TYR  13           HH       TYR  13   3.353 -10.908   0.734
  107    H    ASP  14           HN       ASP  14   4.731  -2.574  -1.770
  108    HA   ASP  14           HA       ASP  14   7.314  -1.926  -3.105
  109   1HB   ASP  14           HB2      ASP  14   4.633  -0.584  -3.523
  110   2HB   ASP  14           HB1      ASP  14   6.058  -0.481  -4.555
  111    H    CYS  15           HN       CYS  15   5.158  -0.918  -0.573
  112    HA   CYS  15           HA       CYS  15   5.865   1.823  -0.324
  113   1HB   CYS  15           HB2      CYS  15   5.500   0.027   2.068
  114   2HB   CYS  15           HB1      CYS  15   5.063   1.725   1.884
  115    H    CYS  16           HN       CYS  16   7.690   2.722  -0.060
  116    HA   CYS  16           HA       CYS  16  10.181   1.533   0.210
  117   1HB   CYS  16           HB2      CYS  16   9.214   4.090   0.015
  118   2HB   CYS  16           HB1      CYS  16   9.908   4.086   1.625
  119    H    THR  17           HN       THR  17   8.174   2.875   2.854
  120    HA   THR  17           HA       THR  17   9.480   0.941   4.695
  121    HB   THR  17           HB       THR  17  10.702   3.087   4.922
  122    HG1  THR  17           HG1      THR  17   9.098   2.992   7.195
  123   1HG2  THR  17          HG21      THR  17   8.414   4.476   6.153
  124   2HG2  THR  17          HG22      THR  17   8.272   4.248   4.411
  125   3HG2  THR  17          HG23      THR  17   9.664   5.101   5.077
  126    H    GLY  18           HN       GLY  18   7.453  -0.181   4.701
  127   1HA   GLY  18           HA2      GLY  18   5.677   0.052   6.693
  128   2HA   GLY  18           HA1      GLY  18   5.063   1.306   5.615
  129    H    SER  19           HN       SER  19   3.168  -0.364   5.813
  130    HA   SER  19           HA       SER  19   3.480  -2.356   3.600
  131   1HB   SER  19           HB2      SER  19   1.516  -2.589   5.888
  132   2HB   SER  19           HB1      SER  19   1.982  -3.833   4.730
  133    HG   SER  19           HG       SER  19   3.703  -4.233   5.877
  134    H    CYS  20           HN       CYS  20   0.953  -2.972   2.987
  135    HA   CYS  20           HA       CYS  20  -0.137  -0.386   2.037
  136   1HB   CYS  20           HB2      CYS  20  -1.241  -3.102   1.335
  137   2HB   CYS  20           HB1      CYS  20  -1.279  -1.616   0.389
  138    H    ARG  21           HN       ARG  21  -1.983   0.485   2.869
  139    HA   ARG  21           HA       ARG  21  -3.603  -1.222   4.713
  140   1HB   ARG  21           HB2      ARG  21  -2.431   0.510   5.969
  141   2HB   ARG  21           HB1      ARG  21  -3.023   1.750   4.862
  142   1HG   ARG  21           HG2      ARG  21  -5.369   1.087   5.497
  143   2HG   ARG  21           HG1      ARG  21  -4.676   0.035   6.729
  144   1HD   ARG  21           HD2      ARG  21  -5.234   2.133   7.790
  145   2HD   ARG  21           HD1      ARG  21  -3.478   2.049   7.663
  146    HE   ARG  21           HE       ARG  21  -4.241   3.365   5.349
  147   1HH1  ARG  21          HH21      ARG  21  -4.806   3.739   8.738
  148   2HH1  ARG  21          HH22      ARG  21  -4.955   5.461   8.652
  149   1HH2  ARG  21          HH11      ARG  21  -4.434   5.612   5.229
  150   2HH2  ARG  21          HH12      ARG  21  -4.745   6.520   6.671
  151    H    SER  22           HN       SER  22  -5.585  -1.594   3.889
  152    HA   SER  22           HA       SER  22  -7.568  -1.300   2.669
  153   1HB   SER  22           HB2      SER  22  -8.623   0.686   3.076
  154   2HB   SER  22           HB1      SER  22  -7.248   0.961   4.143
  155    HG   SER  22           HG       SER  22  -7.935   2.189   1.812
  156    H    GLY  23           HN       GLY  23  -4.708  -1.079   1.386
  157   1HA   GLY  23           HA2      GLY  23  -4.458  -1.432  -1.035
  158   2HA   GLY  23           HA1      GLY  23  -5.752  -0.261  -1.289
  159    H    LYS  24           HN       LYS  24  -4.322   1.328   1.002
  160    HA   LYS  24           HA       LYS  24  -2.558   2.807  -0.871
  161   1HB   LYS  24           HB2      LYS  24  -3.511   3.537   1.917
  162   2HB   LYS  24           HB1      LYS  24  -2.644   4.599   0.807
  163   1HG   LYS  24           HG2      LYS  24  -4.503   5.034  -0.416
  164   2HG   LYS  24           HG1      LYS  24  -5.037   3.354  -0.366
  165   1HD   LYS  24           HD2      LYS  24  -6.556   3.903   1.197
  166   2HD   LYS  24           HD1      LYS  24  -5.245   4.375   2.279
  167   1HE   LYS  24           HE2      LYS  24  -5.234   6.629   1.349
  168   2HE   LYS  24           HE1      LYS  24  -6.454   6.175   0.161
  169   1HZ   LYS  24           HZ1      LYS  24  -7.672   7.172   1.840
  170   2HZ   LYS  24           HZ2      LYS  24  -6.741   6.479   3.081
  171   3HZ   LYS  24           HZ3      LYS  24  -7.833   5.522   2.197
  172   1H    CYS  25           H1       CYS  25   2.738   2.041   2.956
  173    H    CYS  25           HN       CYS  25  -0.371   3.401  -0.207
  174    HA   CYS  25           HA       CYS  25   1.026   1.240   1.112
  175   1HB   CYS  25           HB2      CYS  25   1.721   3.692  -0.317
  176   2HB   CYS  25           HB1      CYS  25   2.779   3.406   1.066
  Start of MODEL   21
    1   2H    CYS   1           HT2      CYS   1  12.249   1.945  -4.135
    2   3H    CYS   1           HT3      CYS   1  11.585   3.502  -4.277
    3    HA   CYS   1           HA       CYS   1   9.953   1.141  -3.552
    4   1HB   CYS   1           HB2      CYS   1  10.253   1.696  -1.239
    5   2HB   CYS   1           HB1      CYS   1  11.865   1.555  -1.939
    6    H    LYS   2           HN       LYS   2   8.136   2.163  -2.035
    7    HA   LYS   2           HA       LYS   2   7.205   4.649  -3.400
    8   1HB   LYS   2           HB2      LYS   2   5.572   2.334  -2.328
    9   2HB   LYS   2           HB1      LYS   2   4.910   3.793  -3.061
   10   1HG   LYS   2           HG2      LYS   2   6.889   2.013  -4.493
   11   2HG   LYS   2           HG1      LYS   2   5.144   1.789  -4.619
   12   1HD   LYS   2           HD2      LYS   2   4.882   4.072  -5.466
   13   2HD   LYS   2           HD1      LYS   2   6.615   4.354  -5.286
   14   1HE   LYS   2           HE2      LYS   2   7.160   3.052  -7.110
   15   2HE   LYS   2           HE1      LYS   2   5.773   1.983  -6.890
   16   1HZ   LYS   2           HZ1      LYS   2   4.511   3.244  -8.201
   17   2HZ   LYS   2           HZ2      LYS   2   5.955   3.976  -8.720
   18   3HZ   LYS   2           HZ3      LYS   2   5.033   4.691  -7.485
   19    H    GLY   3           HN       GLY   3   5.248   5.576  -1.911
   20   1HA   GLY   3           HA2      GLY   3   6.067   5.464   0.950
   21   2HA   GLY   3           HA1      GLY   3   6.005   7.035   0.150
   22    H    LYS   4           HN       LYS   4   4.343   6.469   2.369
   23    HA   LYS   4           HA       LYS   4   1.819   5.444   1.933
   24   1HB   LYS   4           HB2      LYS   4   2.962   7.096   3.843
   25   2HB   LYS   4           HB1      LYS   4   1.619   8.044   3.220
   26   1HG   LYS   4           HG2      LYS   4   0.416   5.662   3.408
   27   2HG   LYS   4           HG1      LYS   4   1.595   5.466   4.696
   28   1HD   LYS   4           HD2      LYS   4  -0.071   6.503   5.907
   29   2HD   LYS   4           HD1      LYS   4   0.760   7.938   5.304
   30   1HE   LYS   4           HE2      LYS   4  -1.286   8.524   4.510
   31   2HE   LYS   4           HE1      LYS   4  -0.928   7.374   3.221
   32   1HZ   LYS   4           HZ1      LYS   4  -2.839   7.191   5.347
   33   2HZ   LYS   4           HZ2      LYS   4  -1.848   5.815   5.247
   34   3HZ   LYS   4           HZ3      LYS   4  -2.748   6.316   3.896
   35    H    GLY   5           HN       GLY   5  -0.107   6.248   1.096
   36   1HA   GLY   5           HA2      GLY   5  -1.470   7.823  -0.122
   37   2HA   GLY   5           HA1      GLY   5  -0.018   8.778  -0.451
   38    H    ALA   6           HN       ALA   6   1.647   6.653  -1.341
   39    HA   ALA   6           HA       ALA   6   0.776   6.455  -4.088
   40   1HB   ALA   6           HB1      ALA   6   3.131   5.627  -2.508
   41   2HB   ALA   6           HB2      ALA   6   3.053   6.290  -4.138
   42   3HB   ALA   6           HB3      ALA   6   2.752   4.574  -3.868
   43    H    LYS   7           HN       LYS   7  -1.339   5.490  -3.596
   44    HA   LYS   7           HA       LYS   7  -2.077   3.221  -2.364
   45   1HB   LYS   7           HB2      LYS   7  -3.803   2.916  -3.955
   46   2HB   LYS   7           HB1      LYS   7  -3.424   4.638  -4.036
   47   1HG   LYS   7           HG2      LYS   7  -1.686   3.831  -5.860
   48   2HG   LYS   7           HG1      LYS   7  -2.785   2.468  -5.987
   49   1HD   LYS   7           HD2      LYS   7  -3.525   4.104  -7.587
   50   2HD   LYS   7           HD1      LYS   7  -4.677   4.132  -6.252
   51   1HE   LYS   7           HE2      LYS   7  -3.899   6.415  -7.050
   52   2HE   LYS   7           HE1      LYS   7  -3.686   6.113  -5.327
   53   1HZ   LYS   7           HZ1      LYS   7  -1.521   5.480  -7.220
   54   2HZ   LYS   7           HZ2      LYS   7  -1.426   5.835  -5.561
   55   3HZ   LYS   7           HZ3      LYS   7  -1.737   7.075  -6.681
   56    H    CYS   8           HN       CYS   8  -2.248   0.921  -3.019
   57    HA   CYS   8           HA       CYS   8  -0.162   0.062  -4.951
   58   1HB   CYS   8           HB2      CYS   8   1.218  -0.628  -3.293
   59   2HB   CYS   8           HB1      CYS   8   0.087  -0.023  -2.102
   60    H    SER   9           HN       SER   9  -0.443  -2.647  -4.880
   61    HA   SER   9           HA       SER   9  -3.264  -2.973  -5.673
   62   1HB   SER   9           HB2      SER   9  -0.737  -4.211  -6.385
   63   2HB   SER   9           HB1      SER   9  -1.944  -5.429  -5.977
   64    HG   SER   9           HG       SER   9  -3.330  -3.945  -7.398
   65    H    ARG  10           HN       ARG  10  -0.941  -4.484  -3.492
   66    HA   ARG  10           HA       ARG  10  -2.685  -4.759  -1.317
   67   1HB   ARG  10           HB2      ARG  10  -3.585  -6.433  -3.305
   68   2HB   ARG  10           HB1      ARG  10  -2.570  -7.514  -2.349
   69   1HG   ARG  10           HG2      ARG  10  -4.111  -7.592  -0.711
   70   2HG   ARG  10           HG1      ARG  10  -4.118  -5.836  -0.590
   71   1HD   ARG  10           HD2      ARG  10  -5.968  -5.616  -1.904
   72   2HD   ARG  10           HD1      ARG  10  -5.510  -6.945  -2.963
   73    HE   ARG  10           HE       ARG  10  -7.392  -7.100  -0.839
   74   1HH1  ARG  10          HH21      ARG  10  -4.628  -8.799  -2.034
   75   2HH1  ARG  10          HH22      ARG  10  -5.003 -10.255  -1.176
   76   1HH2  ARG  10          HH11      ARG  10  -7.886  -8.991   0.262
   77   2HH2  ARG  10          HH12      ARG  10  -6.843 -10.365   0.114
   78    H    LEU  11           HN       LEU  11  -0.684  -7.362  -2.758
   79    HA   LEU  11           HA       LEU  11   1.148  -7.005  -0.417
   80   1HB   LEU  11           HB2      LEU  11   0.051  -9.449  -1.755
   81   2HB   LEU  11           HB1      LEU  11   1.668  -9.529  -1.053
   82    HG   LEU  11           HG       LEU  11   0.253  -8.254   0.931
   83   1HD1  LEU  11          HD11      LEU  11  -1.575 -10.007  -0.660
   84   2HD1  LEU  11          HD12      LEU  11  -1.933  -8.521   0.221
   85   3HD1  LEU  11          HD13      LEU  11  -1.717 -10.035   1.098
   86   1HD2  LEU  11          HD21      LEU  11   0.649 -10.213   2.169
   87   2HD2  LEU  11          HD22      LEU  11   1.841 -10.330   0.876
   88   3HD2  LEU  11          HD23      LEU  11   0.348 -11.261   0.784
   89    H    MET  12           HN       MET  12   1.900  -5.416  -2.379
   90    HA   MET  12           HA       MET  12   3.812  -6.924  -4.097
   91   1HB   MET  12           HB2      MET  12   2.901  -4.031  -4.203
   92   2HB   MET  12           HB1      MET  12   4.052  -4.769  -5.318
   93   1HG   MET  12           HG2      MET  12   1.628  -6.366  -5.067
   94   2HG   MET  12           HG1      MET  12   1.275  -4.726  -5.612
   95   1HE   MET  12           HE1      MET  12   4.040  -7.650  -6.321
   96   2HE   MET  12           HE2      MET  12   3.169  -8.169  -7.763
   97   3HE   MET  12           HE3      MET  12   2.325  -8.071  -6.218
   98    H    TYR  13           HN       TYR  13   3.606  -5.065  -1.253
   99    HA   TYR  13           HA       TYR  13   5.223  -4.106   0.146
  100   1HB   TYR  13           HB2      TYR  13   6.838  -6.289  -1.200
  101   2HB   TYR  13           HB1      TYR  13   7.380  -5.386   0.212
  102    HD1  TYR  13           HD1      TYR  13   3.963  -5.479   0.639
  103    HD2  TYR  13           HD2      TYR  13   7.352  -8.118   0.714
  104    HE1  TYR  13           HE1      TYR  13   2.719  -7.038   2.111
  105    HE2  TYR  13           HE2      TYR  13   6.107  -9.676   2.181
  106    HH   TYR  13           HH       TYR  13   2.704  -9.218   2.888
  107    H    ASP  14           HN       ASP  14   5.003  -2.226  -1.503
  108    HA   ASP  14           HA       ASP  14   7.661  -1.761  -2.793
  109   1HB   ASP  14           HB2      ASP  14   4.874  -1.066  -3.603
  110   2HB   ASP  14           HB1      ASP  14   6.145   0.096  -3.984
  111    H    CYS  15           HN       CYS  15   5.339  -0.687  -0.465
  112    HA   CYS  15           HA       CYS  15   6.132   2.058  -0.201
  113   1HB   CYS  15           HB2      CYS  15   5.363   0.408   2.192
  114   2HB   CYS  15           HB1      CYS  15   4.971   2.086   1.818
  115    H    CYS  16           HN       CYS  16   7.915   2.867   0.336
  116    HA   CYS  16           HA       CYS  16  10.291   1.553   0.900
  117   1HB   CYS  16           HB2      CYS  16   9.384   4.169   0.644
  118   2HB   CYS  16           HB1      CYS  16  10.087   4.110   2.247
  119    H    THR  17           HN       THR  17   7.756   2.551   3.156
  120    HA   THR  17           HA       THR  17   9.164   0.985   5.262
  121    HB   THR  17           HB       THR  17   8.381   2.796   6.903
  122    HG1  THR  17           HG1      THR  17   7.026   3.898   5.482
  123   1HG2  THR  17          HG21      THR  17  10.364   4.223   6.403
  124   2HG2  THR  17          HG22      THR  17  10.516   3.412   4.844
  125   3HG2  THR  17          HG23      THR  17  10.733   2.500   6.336
  126    H    GLY  18           HN       GLY  18   7.776  -0.524   6.013
  127   1HA   GLY  18           HA2      GLY  18   5.737  -1.292   7.002
  128   2HA   GLY  18           HA1      GLY  18   4.939   0.183   6.444
  129    H    SER  19           HN       SER  19   3.221  -1.192   5.575
  130    HA   SER  19           HA       SER  19   3.956  -2.247   2.890
  131   1HB   SER  19           HB2      SER  19   3.780  -4.307   3.940
  132   2HB   SER  19           HB1      SER  19   2.626  -3.720   5.134
  133    HG   SER  19           HG       SER  19   1.196  -4.571   3.855
  134    H    CYS  20           HN       CYS  20   1.659  -2.841   1.770
  135    HA   CYS  20           HA       CYS  20   0.306  -0.368   1.401
  136   1HB   CYS  20           HB2      CYS  20  -0.933  -3.088   0.930
  137   2HB   CYS  20           HB1      CYS  20  -1.272  -1.587   0.074
  138    H    ARG  21           HN       ARG  21  -0.828   0.635   3.039
  139    HA   ARG  21           HA       ARG  21  -2.429  -1.083   4.869
  140   1HB   ARG  21           HB2      ARG  21  -0.809   0.508   5.896
  141   2HB   ARG  21           HB1      ARG  21  -1.682   1.842   5.143
  142   1HG   ARG  21           HG2      ARG  21  -2.309   1.313   7.555
  143   2HG   ARG  21           HG1      ARG  21  -3.648   1.401   6.416
  144   1HD   ARG  21           HD2      ARG  21  -3.964  -0.911   6.400
  145   2HD   ARG  21           HD1      ARG  21  -2.309  -1.243   6.912
  146    HE   ARG  21           HE       ARG  21  -3.414   0.077   9.079
  147   1HH1  ARG  21          HH21      ARG  21  -4.241  -2.657   7.131
  148   2HH1  ARG  21          HH22      ARG  21  -5.052  -3.488   8.417
  149   1HH2  ARG  21          HH11      ARG  21  -4.466  -1.004  10.759
  150   2HH2  ARG  21          HH12      ARG  21  -5.178  -2.555  10.465
  151    H    SER  22           HN       SER  22  -4.613  -1.095   4.621
  152    HA   SER  22           HA       SER  22  -6.767  -0.400   3.975
  153   1HB   SER  22           HB2      SER  22  -5.599   1.911   4.792
  154   2HB   SER  22           HB1      SER  22  -5.875   2.291   3.094
  155    HG   SER  22           HG       SER  22  -8.028   1.977   3.372
  156    H    GLY  23           HN       GLY  23  -4.370  -1.132   2.075
  157   1HA   GLY  23           HA2      GLY  23  -4.692  -1.909  -0.199
  158   2HA   GLY  23           HA1      GLY  23  -5.936  -0.681  -0.414
  159    H    LYS  24           HN       LYS  24  -3.917   1.195   1.056
  160    HA   LYS  24           HA       LYS  24  -2.352   1.777  -1.415
  161   1HB   LYS  24           HB2      LYS  24  -3.225   3.718   0.743
  162   2HB   LYS  24           HB1      LYS  24  -2.403   4.131  -0.762
  163   1HG   LYS  24           HG2      LYS  24  -4.283   3.473  -2.080
  164   2HG   LYS  24           HG1      LYS  24  -5.058   2.698  -0.701
  165   1HD   LYS  24           HD2      LYS  24  -6.175   4.649  -0.428
  166   2HD   LYS  24           HD1      LYS  24  -4.650   5.283   0.196
  167   1HE   LYS  24           HE2      LYS  24  -4.094   6.311  -1.826
  168   2HE   LYS  24           HE1      LYS  24  -5.131   5.241  -2.769
  169   1HZ   LYS  24           HZ1      LYS  24  -5.749   7.746  -1.628
  170   2HZ   LYS  24           HZ2      LYS  24  -6.767   6.560  -0.963
  171   3HZ   LYS  24           HZ3      LYS  24  -6.698   6.779  -2.647
  172   1H    CYS  25           H1       CYS  25   2.562   2.690   2.834
  173    H    CYS  25           HN       CYS  25  -0.327   3.206  -0.780
  174    HA   CYS  25           HA       CYS  25   1.259   1.538   0.991
  175   1HB   CYS  25           HB2      CYS  25   1.748   3.839  -0.797
  176   2HB   CYS  25           HB1      CYS  25   2.788   3.782   0.626
  Start of MODEL   22
    1   2H    CYS   1           HT2      CYS   1  11.844   2.609  -4.335
    2   3H    CYS   1           HT3      CYS   1  10.601   3.061  -5.401
    3    HA   CYS   1           HA       CYS   1   9.503   1.052  -3.884
    4   1HB   CYS   1           HB2      CYS   1   9.928   1.649  -1.613
    5   2HB   CYS   1           HB1      CYS   1  11.510   1.448  -2.366
    6    H    LYS   2           HN       LYS   2   7.693   2.062  -2.507
    7    HA   LYS   2           HA       LYS   2   6.842   4.580  -3.848
    8   1HB   LYS   2           HB2      LYS   2   5.326   2.243  -2.715
    9   2HB   LYS   2           HB1      LYS   2   4.532   3.803  -2.934
   10   1HG   LYS   2           HG2      LYS   2   6.109   2.556  -5.177
   11   2HG   LYS   2           HG1      LYS   2   4.433   2.093  -4.888
   12   1HD   LYS   2           HD2      LYS   2   3.638   4.053  -5.702
   13   2HD   LYS   2           HD1      LYS   2   4.856   4.996  -4.844
   14   1HE   LYS   2           HE2      LYS   2   5.894   3.362  -7.078
   15   2HE   LYS   2           HE1      LYS   2   4.817   4.676  -7.554
   16   1HZ   LYS   2           HZ1      LYS   2   7.035   5.505  -7.471
   17   2HZ   LYS   2           HZ2      LYS   2   7.274   4.891  -5.906
   18   3HZ   LYS   2           HZ3      LYS   2   6.185   6.169  -6.162
   19    H    GLY   3           HN       GLY   3   5.418   6.003  -2.445
   20   1HA   GLY   3           HA2      GLY   3   6.648   6.207   0.263
   21   2HA   GLY   3           HA1      GLY   3   5.899   7.544  -0.611
   22    H    LYS   4           HN       LYS   4   4.887   7.470   1.785
   23    HA   LYS   4           HA       LYS   4   2.905   5.540   2.399
   24   1HB   LYS   4           HB2      LYS   4   3.890   7.837   3.601
   25   2HB   LYS   4           HB1      LYS   4   2.199   8.219   3.294
   26   1HG   LYS   4           HG2      LYS   4   2.134   5.593   4.184
   27   2HG   LYS   4           HG1      LYS   4   3.352   6.345   5.205
   28   1HD   LYS   4           HD2      LYS   4   0.596   7.511   4.727
   29   2HD   LYS   4           HD1      LYS   4   1.027   6.536   6.132
   30   1HE   LYS   4           HE2      LYS   4   2.169   8.234   7.111
   31   2HE   LYS   4           HE1      LYS   4   2.908   8.733   5.589
   32   1HZ   LYS   4           HZ1      LYS   4   1.276  10.330   6.635
   33   2HZ   LYS   4           HZ2      LYS   4   0.055   9.235   6.194
   34   3HZ   LYS   4           HZ3      LYS   4   1.022   9.961   5.000
   35    H    GLY   5           HN       GLY   5   0.631   5.693   2.262
   36   1HA   GLY   5           HA2      GLY   5  -1.314   5.854   0.941
   37   2HA   GLY   5           HA1      GLY   5  -0.974   7.579   1.018
   38    H    ALA   6           HN       ALA   6   1.432   5.637  -0.524
   39    HA   ALA   6           HA       ALA   6   0.917   6.972  -3.068
   40   1HB   ALA   6           HB1      ALA   6   3.208   6.344  -1.976
   41   2HB   ALA   6           HB2      ALA   6   3.020   6.186  -3.724
   42   3HB   ALA   6           HB3      ALA   6   2.913   4.760  -2.691
   43    H    LYS   7           HN       LYS   7  -1.051   4.897  -2.029
   44    HA   LYS   7           HA       LYS   7  -2.310   3.159  -2.870
   45   1HB   LYS   7           HB2      LYS   7  -1.310   4.653  -5.214
   46   2HB   LYS   7           HB1      LYS   7  -2.000   3.050  -5.524
   47   1HG   LYS   7           HG2      LYS   7  -4.009   3.613  -4.359
   48   2HG   LYS   7           HG1      LYS   7  -3.326   5.114  -3.788
   49   1HD   LYS   7           HD2      LYS   7  -3.331   4.733  -6.730
   50   2HD   LYS   7           HD1      LYS   7  -4.906   4.987  -5.979
   51   1HE   LYS   7           HE2      LYS   7  -4.420   7.193  -6.058
   52   2HE   LYS   7           HE1      LYS   7  -3.306   6.873  -4.729
   53   1HZ   LYS   7           HZ1      LYS   7  -2.745   7.206  -7.587
   54   2HZ   LYS   7           HZ2      LYS   7  -1.743   6.176  -6.681
   55   3HZ   LYS   7           HZ3      LYS   7  -1.903   7.810  -6.243
   56    H    CYS   8           HN       CYS   8  -2.214   1.013  -3.534
   57    HA   CYS   8           HA       CYS   8   0.310  -0.084  -4.553
   58   1HB   CYS   8           HB2      CYS   8   1.240  -0.631  -2.570
   59   2HB   CYS   8           HB1      CYS   8  -0.120   0.083  -1.719
   60    H    SER   9           HN       SER   9   0.022  -2.674  -4.495
   61    HA   SER   9           HA       SER   9  -2.659  -3.156  -5.640
   62   1HB   SER   9           HB2      SER   9   0.014  -4.345  -5.937
   63   2HB   SER   9           HB1      SER   9  -1.288  -5.531  -5.864
   64    HG   SER   9           HG       SER   9  -0.862  -4.740  -7.999
   65    H    ARG  10           HN       ARG  10  -0.512  -4.433  -3.167
   66    HA   ARG  10           HA       ARG  10  -2.397  -4.828  -1.161
   67   1HB   ARG  10           HB2      ARG  10  -2.834  -6.672  -3.298
   68   2HB   ARG  10           HB1      ARG  10  -2.213  -7.585  -1.921
   69   1HG   ARG  10           HG2      ARG  10  -3.926  -6.608  -0.467
   70   2HG   ARG  10           HG1      ARG  10  -4.530  -5.632  -1.808
   71   1HD   ARG  10           HD2      ARG  10  -5.934  -7.612  -1.560
   72   2HD   ARG  10           HD1      ARG  10  -5.022  -7.730  -3.065
   73    HE   ARG  10           HE       ARG  10  -3.421  -9.041  -1.229
   74   1HH1  ARG  10          HH21      ARG  10  -6.724  -9.213  -2.225
   75   2HH1  ARG  10          HH22      ARG  10  -6.864 -10.910  -1.908
   76   1HH2  ARG  10          HH11      ARG  10  -3.593 -11.249  -0.810
   77   2HH2  ARG  10          HH12      ARG  10  -5.093 -12.062  -1.109
   78    H    LEU  11           HN       LEU  11  -0.044  -7.118  -2.626
   79    HA   LEU  11           HA       LEU  11   1.602  -6.758  -0.163
   80   1HB   LEU  11           HB2      LEU  11   0.504  -9.251  -1.342
   81   2HB   LEU  11           HB1      LEU  11   2.156  -9.315  -0.715
   82    HG   LEU  11           HG       LEU  11   0.287  -7.871   1.030
   83   1HD1  LEU  11          HD11      LEU  11  -0.910  -9.956  -0.140
   84   2HD1  LEU  11          HD12      LEU  11  -1.178  -9.548   1.557
   85   3HD1  LEU  11          HD13      LEU  11  -0.037 -10.822   1.123
   86   1HD2  LEU  11          HD21      LEU  11   2.102  -8.369   2.287
   87   2HD2  LEU  11          HD22      LEU  11   2.639  -9.613   1.157
   88   3HD2  LEU  11          HD23      LEU  11   1.443 -10.001   2.395
   89    H    MET  12           HN       MET  12   1.790  -5.684  -2.969
   90    HA   MET  12           HA       MET  12   3.891  -7.061  -4.365
   91   1HB   MET  12           HB2      MET  12   2.701  -4.311  -4.472
   92   2HB   MET  12           HB1      MET  12   4.228  -4.607  -5.305
   93   1HG   MET  12           HG2      MET  12   1.982  -6.550  -5.693
   94   2HG   MET  12           HG1      MET  12   1.930  -5.011  -6.553
   95   1HE   MET  12           HE1      MET  12   2.843  -6.690  -9.474
   96   2HE   MET  12           HE2      MET  12   3.359  -5.024  -9.227
   97   3HE   MET  12           HE3      MET  12   1.855  -5.589  -8.503
   98    H    TYR  13           HN       TYR  13   3.933  -5.310  -1.460
   99    HA   TYR  13           HA       TYR  13   5.695  -4.506  -0.132
  100   1HB   TYR  13           HB2      TYR  13   7.118  -6.492  -1.918
  101   2HB   TYR  13           HB1      TYR  13   7.940  -5.636  -0.616
  102    HD1  TYR  13           HD1      TYR  13   4.636  -5.932   0.435
  103    HD2  TYR  13           HD2      TYR  13   8.162  -8.322  -0.142
  104    HE1  TYR  13           HE1      TYR  13   3.781  -7.589   2.062
  105    HE2  TYR  13           HE2      TYR  13   7.303  -9.980   1.487
  106    HH   TYR  13           HH       TYR  13   4.513  -9.337   3.460
  107    H    ASP  14           HN       ASP  14   5.058  -2.564  -1.760
  108    HA   ASP  14           HA       ASP  14   7.562  -1.738  -3.178
  109   1HB   ASP  14           HB2      ASP  14   4.726  -1.519  -3.838
  110   2HB   ASP  14           HB1      ASP  14   5.536   0.046  -3.898
  111    H    CYS  15           HN       CYS  15   5.318  -0.972  -0.633
  112    HA   CYS  15           HA       CYS  15   5.911   1.800  -0.267
  113   1HB   CYS  15           HB2      CYS  15   5.368  -0.172   1.958
  114   2HB   CYS  15           HB1      CYS  15   5.009   1.557   1.923
  115    H    CYS  16           HN       CYS  16   7.654   2.733   0.165
  116    HA   CYS  16           HA       CYS  16  10.140   1.506   0.684
  117   1HB   CYS  16           HB2      CYS  16   9.139   4.055   0.183
  118   2HB   CYS  16           HB1      CYS  16   9.882   4.187   1.764
  119    H    THR  17           HN       THR  17   7.505   2.256   2.816
  120    HA   THR  17           HA       THR  17   8.982   1.077   5.072
  121    HB   THR  17           HB       THR  17   9.619   3.399   5.348
  122    HG1  THR  17           HG1      THR  17   7.460   3.293   7.091
  123   1HG2  THR  17          HG21      THR  17   6.658   4.032   5.185
  124   2HG2  THR  17          HG22      THR  17   7.826   4.341   3.899
  125   3HG2  THR  17          HG23      THR  17   7.960   5.193   5.438
  126    H    GLY  18           HN       GLY  18   7.552  -0.286   6.040
  127   1HA   GLY  18           HA2      GLY  18   5.514  -0.930   7.084
  128   2HA   GLY  18           HA1      GLY  18   4.775   0.561   6.499
  129    H    SER  19           HN       SER  19   3.204  -1.567   6.186
  130    HA   SER  19           HA       SER  19   3.653  -2.598   3.423
  131   1HB   SER  19           HB2      SER  19   2.538  -3.726   5.839
  132   2HB   SER  19           HB1      SER  19   1.346  -3.784   4.542
  133    HG   SER  19           HG       SER  19   3.744  -5.110   4.830
  134    H    CYS  20           HN       CYS  20   1.092  -3.098   2.600
  135    HA   CYS  20           HA       CYS  20   0.154  -0.435   1.905
  136   1HB   CYS  20           HB2      CYS  20  -1.204  -3.106   1.427
  137   2HB   CYS  20           HB1      CYS  20  -1.534  -1.596   0.581
  138    H    ARG  21           HN       ARG  21  -1.794   0.554   2.580
  139    HA   ARG  21           HA       ARG  21  -3.272  -0.805   4.778
  140   1HB   ARG  21           HB2      ARG  21  -1.633   0.778   5.746
  141   2HB   ARG  21           HB1      ARG  21  -2.350   2.082   4.800
  142   1HG   ARG  21           HG2      ARG  21  -3.765   2.399   6.517
  143   2HG   ARG  21           HG1      ARG  21  -4.519   0.868   6.076
  144   1HD   ARG  21           HD2      ARG  21  -3.637  -0.202   7.863
  145   2HD   ARG  21           HD1      ARG  21  -2.048   0.514   7.606
  146    HE   ARG  21           HE       ARG  21  -3.553   2.601   8.631
  147   1HH1  ARG  21          HH21      ARG  21  -2.843  -0.656   9.540
  148   2HH1  ARG  21          HH22      ARG  21  -2.956  -0.343  11.239
  149   1HH2  ARG  21          HH11      ARG  21  -3.702   3.020  10.846
  150   2HH2  ARG  21          HH12      ARG  21  -3.442   1.735  11.978
  151    H    SER  22           HN       SER  22  -5.336  -0.933   4.119
  152    HA   SER  22           HA       SER  22  -7.436  -0.252   3.296
  153   1HB   SER  22           HB2      SER  22  -6.730   1.956   4.422
  154   2HB   SER  22           HB1      SER  22  -6.239   2.479   2.814
  155    HG   SER  22           HG       SER  22  -8.370   2.063   2.119
  156    H    GLY  23           HN       GLY  23  -4.666  -0.553   1.609
  157   1HA   GLY  23           HA2      GLY  23  -4.868  -1.370  -0.726
  158   2HA   GLY  23           HA1      GLY  23  -6.061  -0.101  -0.996
  159    H    LYS  24           HN       LYS  24  -3.801   1.284   0.935
  160    HA   LYS  24           HA       LYS  24  -2.165   2.176  -1.387
  161   1HB   LYS  24           HB2      LYS  24  -2.221   4.180   0.676
  162   2HB   LYS  24           HB1      LYS  24  -2.688   4.325  -1.014
  163   1HG   LYS  24           HG2      LYS  24  -4.603   2.953   0.826
  164   2HG   LYS  24           HG1      LYS  24  -4.428   4.693   0.966
  165   1HD   LYS  24           HD2      LYS  24  -4.556   4.097  -1.806
  166   2HD   LYS  24           HD1      LYS  24  -5.872   3.226  -1.017
  167   1HE   LYS  24           HE2      LYS  24  -5.564   5.932   0.036
  168   2HE   LYS  24           HE1      LYS  24  -5.881   5.929  -1.700
  169   1HZ   LYS  24           HZ1      LYS  24  -7.772   4.451  -1.284
  170   2HZ   LYS  24           HZ2      LYS  24  -7.942   5.941  -0.484
  171   3HZ   LYS  24           HZ3      LYS  24  -7.487   4.552   0.385
  172   1H    CYS  25           H1       CYS  25   2.716   2.356   3.089
  173    H    CYS  25           HN       CYS  25  -0.114   3.381  -0.442
  174    HA   CYS  25           HA       CYS  25   1.287   1.383   1.128
  175   1HB   CYS  25           HB2      CYS  25   1.970   3.898  -0.285
  176   2HB   CYS  25           HB1      CYS  25   3.004   3.485   1.082
  Start of MODEL   23
    1   2H    CYS   1           HT2      CYS   1  12.044   3.477  -4.038
    2   3H    CYS   1           HT3      CYS   1  11.537   2.240  -5.088
    3    HA   CYS   1           HA       CYS   1  10.243   1.202  -3.457
    4   1HB   CYS   1           HB2      CYS   1  10.382   1.705  -1.127
    5   2HB   CYS   1           HB1      CYS   1  12.038   1.478  -1.689
    6    H    LYS   2           HN       LYS   2   8.282   2.148  -2.303
    7    HA   LYS   2           HA       LYS   2   7.602   4.729  -3.619
    8   1HB   LYS   2           HB2      LYS   2   5.808   2.519  -2.570
    9   2HB   LYS   2           HB1      LYS   2   5.238   4.005  -3.327
   10   1HG   LYS   2           HG2      LYS   2   7.050   1.960  -4.642
   11   2HG   LYS   2           HG1      LYS   2   5.320   2.132  -4.948
   12   1HD   LYS   2           HD2      LYS   2   6.571   4.706  -5.214
   13   2HD   LYS   2           HD1      LYS   2   7.453   3.537  -6.198
   14   1HE   LYS   2           HE2      LYS   2   4.437   3.693  -6.254
   15   2HE   LYS   2           HE1      LYS   2   5.433   4.706  -7.297
   16   1HZ   LYS   2           HZ1      LYS   2   6.568   2.417  -7.805
   17   2HZ   LYS   2           HZ2      LYS   2   5.157   2.893  -8.622
   18   3HZ   LYS   2           HZ3      LYS   2   5.062   1.800  -7.326
   19    H    GLY   3           HN       GLY   3   5.273   5.200  -1.936
   20   1HA   GLY   3           HA2      GLY   3   6.264   5.379   0.822
   21   2HA   GLY   3           HA1      GLY   3   6.145   6.930  -0.013
   22    H    LYS   4           HN       LYS   4   4.549   6.442   2.240
   23    HA   LYS   4           HA       LYS   4   2.041   5.311   1.935
   24   1HB   LYS   4           HB2      LYS   4   3.162   7.016   3.756
   25   2HB   LYS   4           HB1      LYS   4   1.894   8.020   3.063
   26   1HG   LYS   4           HG2      LYS   4   0.941   5.330   3.513
   27   2HG   LYS   4           HG1      LYS   4   1.590   6.010   4.995
   28   1HD   LYS   4           HD2      LYS   4  -0.049   7.909   3.472
   29   2HD   LYS   4           HD1      LYS   4  -0.944   6.487   4.014
   30   1HE   LYS   4           HE2      LYS   4  -1.153   7.787   5.905
   31   2HE   LYS   4           HE1      LYS   4   0.374   6.990   6.284
   32   1HZ   LYS   4           HZ1      LYS   4  -0.126   9.743   5.420
   33   2HZ   LYS   4           HZ2      LYS   4   1.323   9.005   4.928
   34   3HZ   LYS   4           HZ3      LYS   4   0.962   9.156   6.580
   35    H    GLY   5           HN       GLY   5   0.010   6.113   1.205
   36   1HA   GLY   5           HA2      GLY   5  -1.417   7.529  -0.102
   37   2HA   GLY   5           HA1      GLY   5  -0.014   8.525  -0.503
   38    H    ALA   6           HN       ALA   6   1.723   6.523  -1.432
   39    HA   ALA   6           HA       ALA   6   0.781   6.171  -4.129
   40   1HB   ALA   6           HB1      ALA   6   3.112   6.256  -4.002
   41   2HB   ALA   6           HB2      ALA   6   2.839   4.518  -4.120
   42   3HB   ALA   6           HB3      ALA   6   3.169   5.256  -2.554
   43    H    LYS   7           HN       LYS   7  -1.283   5.113  -3.374
   44    HA   LYS   7           HA       LYS   7  -1.722   2.789  -2.093
   45   1HB   LYS   7           HB2      LYS   7  -3.517   2.257  -3.660
   46   2HB   LYS   7           HB1      LYS   7  -3.450   4.002  -3.400
   47   1HG   LYS   7           HG2      LYS   7  -1.659   3.309  -5.533
   48   2HG   LYS   7           HG1      LYS   7  -3.241   2.608  -5.861
   49   1HD   LYS   7           HD2      LYS   7  -2.720   5.510  -5.154
   50   2HD   LYS   7           HD1      LYS   7  -3.082   4.902  -6.769
   51   1HE   LYS   7           HE2      LYS   7  -5.270   4.109  -6.012
   52   2HE   LYS   7           HE1      LYS   7  -4.910   4.626  -4.364
   53   1HZ   LYS   7           HZ1      LYS   7  -4.740   6.561  -6.572
   54   2HZ   LYS   7           HZ2      LYS   7  -5.051   6.833  -4.925
   55   3HZ   LYS   7           HZ3      LYS   7  -6.255   6.166  -5.921
   56    H    CYS   8           HN       CYS   8  -1.816   0.497  -2.690
   57    HA   CYS   8           HA       CYS   8   0.213  -0.176  -4.776
   58   1HB   CYS   8           HB2      CYS   8   1.610  -0.973  -3.202
   59   2HB   CYS   8           HB1      CYS   8   0.500  -0.413  -1.963
   60    H    SER   9           HN       SER   9   0.105  -2.812  -4.951
   61    HA   SER   9           HA       SER   9  -2.683  -3.322  -5.796
   62   1HB   SER   9           HB2      SER   9  -0.020  -4.252  -6.517
   63   2HB   SER   9           HB1      SER   9  -1.180  -5.563  -6.371
   64    HG   SER   9           HG       SER   9  -0.987  -3.575  -8.244
   65    H    ARG  10           HN       ARG  10  -2.061  -3.287  -3.005
   66    HA   ARG  10           HA       ARG  10  -3.003  -4.489  -1.190
   67   1HB   ARG  10           HB2      ARG  10  -4.140  -5.884  -3.074
   68   2HB   ARG  10           HB1      ARG  10  -2.851  -7.044  -2.767
   69   1HG   ARG  10           HG2      ARG  10  -4.675  -7.682  -1.352
   70   2HG   ARG  10           HG1      ARG  10  -3.481  -6.913  -0.306
   71   1HD   ARG  10           HD2      ARG  10  -5.082  -4.817  -1.256
   72   2HD   ARG  10           HD1      ARG  10  -6.215  -6.109  -0.864
   73    HE   ARG  10           HE       ARG  10  -4.939  -4.448   1.033
   74   1HH1  ARG  10          HH21      ARG  10  -5.417  -7.829   0.434
   75   2HH1  ARG  10          HH22      ARG  10  -5.024  -8.289   2.053
   76   1HH2  ARG  10          HH11      ARG  10  -4.460  -5.053   3.141
   77   2HH2  ARG  10          HH12      ARG  10  -4.493  -6.729   3.580
   78    H    LEU  11           HN       LEU  11  -1.002  -7.013  -2.764
   79    HA   LEU  11           HA       LEU  11   0.840  -6.755  -0.420
   80   1HB   LEU  11           HB2      LEU  11  -0.369  -9.121  -1.766
   81   2HB   LEU  11           HB1      LEU  11   1.295  -9.284  -1.202
   82    HG   LEU  11           HG       LEU  11   0.067  -8.025   0.927
   83   1HD1  LEU  11          HD11      LEU  11  -2.130  -8.456  -0.268
   84   2HD1  LEU  11          HD12      LEU  11  -2.021  -9.134   1.356
   85   3HD1  LEU  11          HD13      LEU  11  -1.824 -10.178  -0.051
   86   1HD2  LEU  11          HD21      LEU  11   0.195 -11.031   0.612
   87   2HD2  LEU  11          HD22      LEU  11   0.434 -10.081   2.077
   88   3HD2  LEU  11          HD23      LEU  11   1.646 -10.047   0.797
   89    H    MET  12           HN       MET  12   1.309  -5.225  -2.763
   90    HA   MET  12           HA       MET  12   3.280  -6.683  -4.387
   91   1HB   MET  12           HB2      MET  12   1.720  -4.401  -4.795
   92   2HB   MET  12           HB1      MET  12   3.358  -3.772  -4.615
   93   1HG   MET  12           HG2      MET  12   3.281  -6.182  -6.266
   94   2HG   MET  12           HG1      MET  12   2.285  -4.886  -6.931
   95   1HE   MET  12           HE1      MET  12   4.518  -2.090  -7.846
   96   2HE   MET  12           HE2      MET  12   3.070  -2.424  -6.900
   97   3HE   MET  12           HE3      MET  12   3.259  -3.153  -8.492
   98    H    TYR  13           HN       TYR  13   3.196  -4.755  -1.527
   99    HA   TYR  13           HA       TYR  13   4.879  -4.043  -0.068
  100   1HB   TYR  13           HB2      TYR  13   6.000  -6.454  -1.423
  101   2HB   TYR  13           HB1      TYR  13   7.104  -5.460  -0.468
  102    HD1  TYR  13           HD1      TYR  13   3.910  -7.358  -0.351
  103    HD2  TYR  13           HD2      TYR  13   7.018  -5.447   1.915
  104    HE1  TYR  13           HE1      TYR  13   3.000  -8.348   1.729
  105    HE2  TYR  13           HE2      TYR  13   6.109  -6.436   3.998
  106    HH   TYR  13           HH       TYR  13   3.051  -7.806   4.198
  107    H    ASP  14           HN       ASP  14   4.806  -2.036  -1.520
  108    HA   ASP  14           HA       ASP  14   7.475  -1.664  -2.803
  109   1HB   ASP  14           HB2      ASP  14   5.047  -0.054  -3.556
  110   2HB   ASP  14           HB1      ASP  14   6.508  -0.358  -4.489
  111    H    CYS  15           HN       CYS  15   5.255  -0.615  -0.403
  112    HA   CYS  15           HA       CYS  15   6.100   2.150  -0.213
  113   1HB   CYS  15           HB2      CYS  15   5.222   0.653   2.225
  114   2HB   CYS  15           HB1      CYS  15   4.828   2.290   1.706
  115    H    CYS  16           HN       CYS  16   7.903   2.887   0.358
  116    HA   CYS  16           HA       CYS  16  10.197   1.497   1.077
  117   1HB   CYS  16           HB2      CYS  16   9.454   4.124   0.660
  118   2HB   CYS  16           HB1      CYS  16   9.990   4.121   2.327
  119    H    THR  17           HN       THR  17   7.784   2.980   3.268
  120    HA   THR  17           HA       THR  17   9.245   1.939   5.609
  121    HB   THR  17           HB       THR  17   7.231   3.009   6.829
  122    HG1  THR  17           HG1      THR  17   5.888   4.174   5.635
  123   1HG2  THR  17          HG21      THR  17   8.462   4.928   6.993
  124   2HG2  THR  17          HG22      THR  17   8.603   5.111   5.244
  125   3HG2  THR  17          HG23      THR  17   9.644   3.972   6.097
  126    H    GLY  18           HN       GLY  18   5.959   1.824   6.298
  127   1HA   GLY  18           HA2      GLY  18   5.956  -0.974   6.785
  128   2HA   GLY  18           HA1      GLY  18   4.509   0.031   6.697
  129    H    SER  19           HN       SER  19   3.260  -1.399   5.460
  130    HA   SER  19           HA       SER  19   4.272  -1.860   2.683
  131   1HB   SER  19           HB2      SER  19   3.952  -3.885   4.351
  132   2HB   SER  19           HB1      SER  19   2.253  -3.687   3.937
  133    HG   SER  19           HG       SER  19   2.928  -4.958   2.346
  134    H    CYS  20           HN       CYS  20   1.618  -3.041   2.020
  135    HA   CYS  20           HA       CYS  20   0.284  -0.535   1.337
  136   1HB   CYS  20           HB2      CYS  20  -0.876  -3.293   0.950
  137   2HB   CYS  20           HB1      CYS  20  -1.107  -1.853  -0.042
  138    H    ARG  21           HN       ARG  21  -0.897   0.465   2.928
  139    HA   ARG  21           HA       ARG  21  -2.405  -1.245   4.850
  140   1HB   ARG  21           HB2      ARG  21  -0.816   0.910   5.359
  141   2HB   ARG  21           HB1      ARG  21  -2.392   1.691   5.233
  142   1HG   ARG  21           HG2      ARG  21  -3.204  -0.247   6.782
  143   2HG   ARG  21           HG1      ARG  21  -1.494  -0.443   7.158
  144   1HD   ARG  21           HD2      ARG  21  -1.496   1.378   8.486
  145   2HD   ARG  21           HD1      ARG  21  -2.268   2.358   7.238
  146    HE   ARG  21           HE       ARG  21  -4.340   0.814   8.219
  147   1HH1  ARG  21          HH21      ARG  21  -1.924   2.874   9.577
  148   2HH1  ARG  21          HH22      ARG  21  -2.915   3.376  10.904
  149   1HH2  ARG  21          HH11      ARG  21  -5.641   1.463   9.951
  150   2HH2  ARG  21          HH12      ARG  21  -5.016   2.583  11.115
  151    H    SER  22           HN       SER  22  -4.632  -1.171   4.898
  152    HA   SER  22           HA       SER  22  -6.775  -0.867   3.960
  153   1HB   SER  22           HB2      SER  22  -6.737   1.173   5.221
  154   2HB   SER  22           HB1      SER  22  -5.658   1.947   4.064
  155    HG   SER  22           HG       SER  22  -7.795   2.602   3.714
  156    H    GLY  23           HN       GLY  23  -4.483  -1.409   2.110
  157   1HA   GLY  23           HA2      GLY  23  -4.515  -1.825  -0.234
  158   2HA   GLY  23           HA1      GLY  23  -5.890  -0.738  -0.390
  159    H    LYS  24           HN       LYS  24  -4.169   1.205   1.351
  160    HA   LYS  24           HA       LYS  24  -2.769   2.328  -1.005
  161   1HB   LYS  24           HB2      LYS  24  -4.194   3.487   1.271
  162   2HB   LYS  24           HB1      LYS  24  -2.655   4.273   0.941
  163   1HG   LYS  24           HG2      LYS  24  -3.840   3.848  -1.577
  164   2HG   LYS  24           HG1      LYS  24  -5.132   4.453  -0.540
  165   1HD   LYS  24           HD2      LYS  24  -2.561   5.852  -0.195
  166   2HD   LYS  24           HD1      LYS  24  -3.278   6.041  -1.796
  167   1HE   LYS  24           HE2      LYS  24  -4.438   7.723  -0.773
  168   2HE   LYS  24           HE1      LYS  24  -5.480   6.396  -0.258
  169   1HZ   LYS  24           HZ1      LYS  24  -3.301   6.563   1.496
  170   2HZ   LYS  24           HZ2      LYS  24  -4.947   6.823   1.832
  171   3HZ   LYS  24           HZ3      LYS  24  -3.962   8.115   1.336
  172   1H    CYS  25           H1       CYS  25   2.599   2.459   2.701
  173    H    CYS  25           HN       CYS  25  -0.572   3.268  -0.653
  174    HA   CYS  25           HA       CYS  25   1.098   1.500   0.883
  175   1HB   CYS  25           HB2      CYS  25   1.477   3.810  -0.853
  176   2HB   CYS  25           HB1      CYS  25   2.556   3.870   0.538
  Start of MODEL   24
    1   2H    CYS   1           HT2      CYS   1  11.755   2.853  -4.149
    2   3H    CYS   1           HT3      CYS   1  11.062   1.495  -4.900
    3    HA   CYS   1           HA       CYS   1   9.890   0.868  -3.004
    4   1HB   CYS   1           HB2      CYS   1  10.385   1.592  -0.821
    5   2HB   CYS   1           HB1      CYS   1  11.968   1.329  -1.550
    6    H    LYS   2           HN       LYS   2   8.186   2.245  -1.749
    7    HA   LYS   2           HA       LYS   2   7.708   4.763  -3.270
    8   1HB   LYS   2           HB2      LYS   2   5.820   2.497  -2.646
    9   2HB   LYS   2           HB1      LYS   2   5.232   4.106  -3.062
   10   1HG   LYS   2           HG2      LYS   2   7.318   2.914  -4.828
   11   2HG   LYS   2           HG1      LYS   2   5.691   2.243  -4.927
   12   1HD   LYS   2           HD2      LYS   2   4.865   4.660  -5.140
   13   2HD   LYS   2           HD1      LYS   2   6.552   5.097  -5.409
   14   1HE   LYS   2           HE2      LYS   2   5.993   2.847  -7.058
   15   2HE   LYS   2           HE1      LYS   2   4.681   4.003  -7.285
   16   1HZ   LYS   2           HZ1      LYS   2   6.219   4.785  -8.761
   17   2HZ   LYS   2           HZ2      LYS   2   7.550   4.318  -7.814
   18   3HZ   LYS   2           HZ3      LYS   2   6.641   5.688  -7.389
   19    H    GLY   3           HN       GLY   3   5.877   6.067  -2.133
   20   1HA   GLY   3           HA2      GLY   3   6.414   5.986   0.813
   21   2HA   GLY   3           HA1      GLY   3   6.077   7.471  -0.083
   22    H    LYS   4           HN       LYS   4   4.500   6.716   2.167
   23    HA   LYS   4           HA       LYS   4   2.194   5.245   1.566
   24   1HB   LYS   4           HB2      LYS   4   1.356   6.079   3.536
   25   2HB   LYS   4           HB1      LYS   4   3.046   6.464   3.765
   26   1HG   LYS   4           HG2      LYS   4   2.546   8.725   2.707
   27   2HG   LYS   4           HG1      LYS   4   0.843   8.317   2.861
   28   1HD   LYS   4           HD2      LYS   4   1.209   9.455   4.861
   29   2HD   LYS   4           HD1      LYS   4   1.494   7.787   5.358
   30   1HE   LYS   4           HE2      LYS   4   3.961   8.666   4.355
   31   2HE   LYS   4           HE1      LYS   4   3.346  10.020   5.304
   32   1HZ   LYS   4           HZ1      LYS   4   3.396   7.229   6.299
   33   2HZ   LYS   4           HZ2      LYS   4   3.097   8.643   7.191
   34   3HZ   LYS   4           HZ3      LYS   4   4.650   8.335   6.579
   35    H    GLY   5           HN       GLY   5   0.073   5.991   0.947
   36   1HA   GLY   5           HA2      GLY   5  -1.431   7.557  -0.100
   37   2HA   GLY   5           HA1      GLY   5  -0.049   8.596  -0.460
   38    H    ALA   6           HN       ALA   6   1.542   6.270  -1.404
   39    HA   ALA   6           HA       ALA   6   0.646   6.325  -4.174
   40   1HB   ALA   6           HB1      ALA   6   2.991   5.222  -2.687
   41   2HB   ALA   6           HB2      ALA   6   2.956   6.240  -4.127
   42   3HB   ALA   6           HB3      ALA   6   2.609   4.516  -4.258
   43    H    LYS   7           HN       LYS   7  -1.471   5.342  -3.637
   44    HA   LYS   7           HA       LYS   7  -2.246   3.024  -2.579
   45   1HB   LYS   7           HB2      LYS   7  -3.915   2.787  -4.255
   46   2HB   LYS   7           HB1      LYS   7  -3.559   4.515  -4.178
   47   1HG   LYS   7           HG2      LYS   7  -1.683   3.590  -5.971
   48   2HG   LYS   7           HG1      LYS   7  -3.091   2.617  -6.350
   49   1HD   LYS   7           HD2      LYS   7  -4.296   5.014  -6.110
   50   2HD   LYS   7           HD1      LYS   7  -2.700   5.545  -6.645
   51   1HE   LYS   7           HE2      LYS   7  -4.163   3.317  -8.061
   52   2HE   LYS   7           HE1      LYS   7  -4.451   5.007  -8.474
   53   1HZ   LYS   7           HZ1      LYS   7  -1.999   3.412  -8.777
   54   2HZ   LYS   7           HZ2      LYS   7  -1.882   5.098  -8.583
   55   3HZ   LYS   7           HZ3      LYS   7  -2.751   4.448  -9.890
   56    H    CYS   8           HN       CYS   8  -2.148   0.815  -2.956
   57    HA   CYS   8           HA       CYS   8  -0.178  -0.072  -5.016
   58   1HB   CYS   8           HB2      CYS   8   1.178  -0.834  -3.380
   59   2HB   CYS   8           HB1      CYS   8   0.079  -0.189  -2.174
   60    H    SER   9           HN       SER   9  -0.487  -2.760  -4.968
   61    HA   SER   9           HA       SER   9  -3.294  -3.074  -5.806
   62   1HB   SER   9           HB2      SER   9  -0.737  -4.419  -6.346
   63   2HB   SER   9           HB1      SER   9  -2.101  -5.518  -6.170
   64    HG   SER   9           HG       SER   9  -3.119  -3.749  -7.626
   65    H    ARG  10           HN       ARG  10  -0.988  -4.742  -3.743
   66    HA   ARG  10           HA       ARG  10  -2.368  -5.030  -1.408
   67   1HB   ARG  10           HB2      ARG  10  -4.335  -5.937  -2.401
   68   2HB   ARG  10           HB1      ARG  10  -3.409  -7.000  -3.460
   69   1HG   ARG  10           HG2      ARG  10  -2.722  -8.372  -1.588
   70   2HG   ARG  10           HG1      ARG  10  -3.424  -7.233  -0.436
   71   1HD   ARG  10           HD2      ARG  10  -4.960  -8.837  -2.503
   72   2HD   ARG  10           HD1      ARG  10  -4.925  -9.154  -0.768
   73    HE   ARG  10           HE       ARG  10  -5.778  -6.521  -0.950
   74   1HH1  ARG  10          HH21      ARG  10  -6.727  -9.563  -2.279
   75   2HH1  ARG  10          HH22      ARG  10  -8.400  -9.134  -2.400
   76   1HH2  ARG  10          HH11      ARG  10  -7.957  -5.949  -1.106
   77   2HH2  ARG  10          HH12      ARG  10  -9.096  -7.091  -1.737
   78    H    LEU  11           HN       LEU  11  -0.370  -5.378  -0.542
   79    HA   LEU  11           HA       LEU  11   1.379  -6.717   0.294
   80   1HB   LEU  11           HB2      LEU  11  -0.451  -8.623  -0.830
   81   2HB   LEU  11           HB1      LEU  11   1.197  -9.096  -1.248
   82    HG   LEU  11           HG       LEU  11   1.426  -8.308   1.396
   83   1HD1  LEU  11          HD11      LEU  11  -1.235  -9.670   0.917
   84   2HD1  LEU  11          HD12      LEU  11  -0.934  -8.163   1.782
   85   3HD1  LEU  11          HD13      LEU  11  -0.419  -9.698   2.480
   86   1HD2  LEU  11          HD21      LEU  11   1.315 -10.895   1.752
   87   2HD2  LEU  11          HD22      LEU  11   2.558 -10.240   0.684
   88   3HD2  LEU  11          HD23      LEU  11   1.097 -10.958   0.003
   89    H    MET  12           HN       MET  12   1.161  -5.258  -2.477
   90    HA   MET  12           HA       MET  12   3.038  -6.484  -4.243
   91   1HB   MET  12           HB2      MET  12   1.828  -3.814  -3.900
   92   2HB   MET  12           HB1      MET  12   3.418  -3.802  -4.663
   93   1HG   MET  12           HG2      MET  12   2.603  -5.548  -6.265
   94   2HG   MET  12           HG1      MET  12   0.995  -5.392  -5.555
   95   1HE   MET  12           HE1      MET  12   3.385  -2.071  -7.623
   96   2HE   MET  12           HE2      MET  12   3.988  -3.534  -6.848
   97   3HE   MET  12           HE3      MET  12   3.399  -2.199  -5.859
   98    H    TYR  13           HN       TYR  13   3.426  -4.825  -1.236
   99    HA   TYR  13           HA       TYR  13   5.337  -4.342   0.030
  100   1HB   TYR  13           HB2      TYR  13   6.509  -6.319  -1.947
  101   2HB   TYR  13           HB1      TYR  13   7.388  -5.687  -0.554
  102    HD1  TYR  13           HD1      TYR  13   5.869  -5.726   1.704
  103    HD2  TYR  13           HD2      TYR  13   5.491  -8.386  -1.646
  104    HE1  TYR  13           HE1      TYR  13   4.783  -7.409   3.163
  105    HE2  TYR  13           HE2      TYR  13   4.404 -10.069  -0.188
  106    HH   TYR  13           HH       TYR  13   4.104  -9.548   3.310
  107    H    ASP  14           HN       ASP  14   4.970  -2.177  -1.197
  108    HA   ASP  14           HA       ASP  14   7.480  -1.558  -2.696
  109   1HB   ASP  14           HB2      ASP  14   4.644  -0.692  -3.250
  110   2HB   ASP  14           HB1      ASP  14   6.020   0.241  -3.835
  111    H    CYS  15           HN       CYS  15   5.051  -0.511  -0.372
  112    HA   CYS  15           HA       CYS  15   5.847   2.164   0.061
  113   1HB   CYS  15           HB2      CYS  15   5.296   0.368   2.415
  114   2HB   CYS  15           HB1      CYS  15   4.834   2.050   2.167
  115    H    CYS  16           HN       CYS  16   7.650   3.024   0.589
  116    HA   CYS  16           HA       CYS  16  10.066   1.642   1.027
  117   1HB   CYS  16           HB2      CYS  16   9.343   4.218   0.526
  118   2HB   CYS  16           HB1      CYS  16   9.833   4.330   2.206
  119    H    THR  17           HN       THR  17   7.587   2.680   3.282
  120    HA   THR  17           HA       THR  17   9.206   1.453   5.476
  121    HB   THR  17           HB       THR  17   9.277   3.886   5.750
  122    HG1  THR  17           HG1      THR  17   9.062   3.393   7.763
  123   1HG2  THR  17          HG21      THR  17   6.759   3.805   4.587
  124   2HG2  THR  17          HG22      THR  17   7.525   5.228   5.294
  125   3HG2  THR  17          HG23      THR  17   6.425   4.248   6.262
  126    H    GLY  18           HN       GLY  18   7.987  -0.486   5.377
  127   1HA   GLY  18           HA2      GLY  18   6.196  -1.581   6.665
  128   2HA   GLY  18           HA1      GLY  18   5.172  -0.187   6.323
  129    H    SER  19           HN       SER  19   3.537  -1.502   5.370
  130    HA   SER  19           HA       SER  19   4.194  -2.371   2.600
  131   1HB   SER  19           HB2      SER  19   2.222  -4.080   3.959
  132   2HB   SER  19           HB1      SER  19   3.567  -4.531   2.917
  133    HG   SER  19           HG       SER  19   3.474  -4.124   5.685
  134    H    CYS  20           HN       CYS  20   1.988  -2.846   1.424
  135    HA   CYS  20           HA       CYS  20   0.483  -0.524   1.211
  136   1HB   CYS  20           HB2      CYS  20  -0.785  -3.267   0.954
  137   2HB   CYS  20           HB1      CYS  20  -1.200  -1.799   0.073
  138    H    ARG  21           HN       ARG  21  -1.153   0.433   2.379
  139    HA   ARG  21           HA       ARG  21  -2.125  -1.061   4.782
  140   1HB   ARG  21           HB2      ARG  21  -0.742   0.899   5.357
  141   2HB   ARG  21           HB1      ARG  21  -1.812   1.934   4.412
  142   1HG   ARG  21           HG2      ARG  21  -3.710   1.251   5.872
  143   2HG   ARG  21           HG1      ARG  21  -2.588   0.313   6.851
  144   1HD   ARG  21           HD2      ARG  21  -2.641   3.306   6.452
  145   2HD   ARG  21           HD1      ARG  21  -2.836   2.427   7.965
  146    HE   ARG  21           HE       ARG  21  -0.358   3.297   6.822
  147   1HH1  ARG  21          HH21      ARG  21  -1.775   0.558   8.376
  148   2HH1  ARG  21          HH22      ARG  21  -0.255  -0.214   8.674
  149   1HH2  ARG  21          HH11      ARG  21   1.620   2.317   7.236
  150   2HH2  ARG  21          HH12      ARG  21   1.664   0.783   8.039
  151    H    SER  22           HN       SER  22  -4.204  -1.631   4.584
  152    HA   SER  22           HA       SER  22  -6.396  -1.713   3.736
  153   1HB   SER  22           HB2      SER  22  -7.332   0.814   3.796
  154   2HB   SER  22           HB1      SER  22  -7.112  -0.156   5.248
  155    HG   SER  22           HG       SER  22  -5.924   1.535   5.754
  156    H    GLY  23           HN       GLY  23  -4.168  -1.182   1.745
  157   1HA   GLY  23           HA2      GLY  23  -4.742  -1.292  -0.671
  158   2HA   GLY  23           HA1      GLY  23  -5.925  -0.018  -0.380
  159    H    LYS  24           HN       LYS  24  -4.358   1.745   1.172
  160    HA   LYS  24           HA       LYS  24  -2.603   2.799  -0.939
  161   1HB   LYS  24           HB2      LYS  24  -3.748   3.951   1.596
  162   2HB   LYS  24           HB1      LYS  24  -2.519   4.800   0.655
  163   1HG   LYS  24           HG2      LYS  24  -4.595   5.608  -0.158
  164   2HG   LYS  24           HG1      LYS  24  -4.051   4.453  -1.368
  165   1HD   LYS  24           HD2      LYS  24  -5.667   2.905  -0.819
  166   2HD   LYS  24           HD1      LYS  24  -5.728   3.416   0.870
  167   1HE   LYS  24           HE2      LYS  24  -7.560   4.628   0.385
  168   2HE   LYS  24           HE1      LYS  24  -6.559   5.648  -0.649
  169   1HZ   LYS  24           HZ1      LYS  24  -8.028   3.192  -1.435
  170   2HZ   LYS  24           HZ2      LYS  24  -6.910   3.985  -2.438
  171   3HZ   LYS  24           HZ3      LYS  24  -8.332   4.779  -1.953
  172   1H    CYS  25           H1       CYS  25   2.660   2.481   2.861
  173    H    CYS  25           HN       CYS  25  -0.408   3.429  -0.536
  174    HA   CYS  25           HA       CYS  25   1.052   1.580   1.128
  175   1HB   CYS  25           HB2      CYS  25   1.673   3.679  -0.784
  176   2HB   CYS  25           HB1      CYS  25   2.748   3.758   0.609
  Start of MODEL   25
    1   2H    CYS   1           HT2      CYS   1  11.147   3.731  -5.017
    2   3H    CYS   1           HT3      CYS   1  10.847   2.239  -5.773
    3    HA   CYS   1           HA       CYS   1   9.570   1.482  -4.113
    4   1HB   CYS   1           HB2      CYS   1  10.156   1.669  -1.795
    5   2HB   CYS   1           HB1      CYS   1  11.663   1.392  -2.663
    6    H    LYS   2           HN       LYS   2   7.845   2.395  -2.670
    7    HA   LYS   2           HA       LYS   2   7.404   5.282  -3.285
    8   1HB   LYS   2           HB2      LYS   2   5.578   2.912  -3.188
    9   2HB   LYS   2           HB1      LYS   2   4.935   4.522  -2.857
   10   1HG   LYS   2           HG2      LYS   2   6.684   4.099  -5.253
   11   2HG   LYS   2           HG1      LYS   2   4.985   3.639  -5.325
   12   1HD   LYS   2           HD2      LYS   2   4.313   5.794  -5.430
   13   2HD   LYS   2           HD1      LYS   2   5.363   6.261  -4.099
   14   1HE   LYS   2           HE2      LYS   2   6.082   7.456  -6.076
   15   2HE   LYS   2           HE1      LYS   2   7.296   6.232  -5.703
   16   1HZ   LYS   2           HZ1      LYS   2   6.157   6.541  -8.104
   17   2HZ   LYS   2           HZ2      LYS   2   5.154   5.346  -7.430
   18   3HZ   LYS   2           HZ3      LYS   2   6.827   5.085  -7.551
   19    H    GLY   3           HN       GLY   3   5.627   6.155  -1.619
   20   1HA   GLY   3           HA2      GLY   3   6.434   5.242   1.115
   21   2HA   GLY   3           HA1      GLY   3   6.294   6.955   0.715
   22    H    LYS   4           HN       LYS   4   4.747   6.043   2.791
   23    HA   LYS   4           HA       LYS   4   2.280   4.918   2.458
   24   1HB   LYS   4           HB2      LYS   4   3.392   6.434   4.391
   25   2HB   LYS   4           HB1      LYS   4   2.176   7.554   3.799
   26   1HG   LYS   4           HG2      LYS   4   1.055   4.918   4.005
   27   2HG   LYS   4           HG1      LYS   4   1.796   5.363   5.532
   28   1HD   LYS   4           HD2      LYS   4   0.538   7.479   5.548
   29   2HD   LYS   4           HD1      LYS   4  -0.191   7.061   3.997
   30   1HE   LYS   4           HE2      LYS   4  -1.767   5.822   5.016
   31   2HE   LYS   4           HE1      LYS   4  -0.535   4.880   5.858
   32   1HZ   LYS   4           HZ1      LYS   4  -2.177   7.002   6.836
   33   2HZ   LYS   4           HZ2      LYS   4  -0.528   7.304   7.122
   34   3HZ   LYS   4           HZ3      LYS   4  -1.246   5.875   7.696
   35    H    GLY   5           HN       GLY   5   0.240   5.595   1.760
   36   1HA   GLY   5           HA2      GLY   5  -1.318   7.055   0.663
   37   2HA   GLY   5           HA1      GLY   5   0.004   8.182   0.346
   38    H    ALA   6           HN       ALA   6   1.854   6.428  -0.822
   39    HA   ALA   6           HA       ALA   6   0.892   6.322  -3.523
   40   1HB   ALA   6           HB1      ALA   6   3.064   5.910  -4.013
   41   2HB   ALA   6           HB2      ALA   6   3.101   4.493  -2.963
   42   3HB   ALA   6           HB3      ALA   6   3.378   6.098  -2.287
   43    H    LYS   7           HN       LYS   7  -1.125   5.123  -2.949
   44    HA   LYS   7           HA       LYS   7  -1.681   2.710  -1.984
   45   1HB   LYS   7           HB2      LYS   7  -3.275   2.332  -3.745
   46   2HB   LYS   7           HB1      LYS   7  -3.167   4.076  -3.486
   47   1HG   LYS   7           HG2      LYS   7  -1.128   3.365  -5.332
   48   2HG   LYS   7           HG1      LYS   7  -2.616   2.599  -5.866
   49   1HD   LYS   7           HD2      LYS   7  -3.371   5.181  -5.047
   50   2HD   LYS   7           HD1      LYS   7  -1.879   5.395  -5.965
   51   1HE   LYS   7           HE2      LYS   7  -2.806   4.595  -7.927
   52   2HE   LYS   7           HE1      LYS   7  -3.954   3.557  -7.082
   53   1HZ   LYS   7           HZ1      LYS   7  -4.538   5.952  -8.193
   54   2HZ   LYS   7           HZ2      LYS   7  -4.328   6.359  -6.556
   55   3HZ   LYS   7           HZ3      LYS   7  -5.464   5.176  -7.002
   56    H    CYS   8           HN       CYS   8  -1.497   0.520  -2.518
   57    HA   CYS   8           HA       CYS   8   0.536  -0.153  -4.589
   58   1HB   CYS   8           HB2      CYS   8   2.006  -0.695  -2.939
   59   2HB   CYS   8           HB1      CYS   8   0.810  -0.287  -1.718
   60    H    SER   9           HN       SER   9   0.481  -2.738  -4.777
   61    HA   SER   9           HA       SER   9  -2.379  -3.439  -5.132
   62   1HB   SER   9           HB2      SER   9  -0.428  -5.474  -5.900
   63   2HB   SER   9           HB1      SER   9  -1.659  -4.686  -6.882
   64    HG   SER   9           HG       SER   9  -0.063  -3.615  -7.716
   65    H    ARG  10           HN       ARG  10  -3.302  -4.358  -3.382
   66    HA   ARG  10           HA       ARG  10  -2.714  -5.173  -1.004
   67   1HB   ARG  10           HB2      ARG  10  -4.509  -6.267  -2.888
   68   2HB   ARG  10           HB1      ARG  10  -3.727  -7.638  -2.100
   69   1HG   ARG  10           HG2      ARG  10  -4.868  -5.309  -0.543
   70   2HG   ARG  10           HG1      ARG  10  -5.821  -6.737  -0.943
   71   1HD   ARG  10           HD2      ARG  10  -4.978  -7.673   0.930
   72   2HD   ARG  10           HD1      ARG  10  -3.444  -7.784   0.065
   73    HE   ARG  10           HE       ARG  10  -3.434  -5.209   1.074
   74   1HH1  ARG  10          HH21      ARG  10  -3.932  -8.380   2.346
   75   2HH1  ARG  10          HH22      ARG  10  -3.288  -7.996   3.906
   76   1HH2  ARG  10          HH11      ARG  10  -2.586  -4.698   3.105
   77   2HH2  ARG  10          HH12      ARG  10  -2.525  -5.913   4.335
   78    H    LEU  11           HN       LEU  11  -0.452  -5.426  -0.721
   79    HA   LEU  11           HA       LEU  11   1.342  -6.822  -0.126
   80   1HB   LEU  11           HB2      LEU  11  -0.571  -8.619  -0.077
   81   2HB   LEU  11           HB1      LEU  11   0.119  -9.117  -1.626
   82    HG   LEU  11           HG       LEU  11   2.063  -8.594   0.531
   83   1HD1  LEU  11          HD11      LEU  11   0.128 -10.926   0.598
   84   2HD1  LEU  11          HD12      LEU  11   0.395  -9.727   1.865
   85   3HD1  LEU  11          HD13      LEU  11   1.655 -10.900   1.482
   86   1HD2  LEU  11          HD21      LEU  11   3.312  -9.783  -0.923
   87   2HD2  LEU  11          HD22      LEU  11   1.902  -9.932  -1.970
   88   3HD2  LEU  11          HD23      LEU  11   2.228 -11.165  -0.754
   89    H    MET  12           HN       MET  12   2.965  -5.999  -1.351
   90    HA   MET  12           HA       MET  12   3.623  -7.313  -3.876
   91   1HB   MET  12           HB2      MET  12   2.174  -4.828  -3.914
   92   2HB   MET  12           HB1      MET  12   3.801  -4.556  -4.542
   93   1HG   MET  12           HG2      MET  12   2.058  -6.852  -5.462
   94   2HG   MET  12           HG1      MET  12   2.077  -5.284  -6.269
   95   1HE   MET  12           HE1      MET  12   3.210  -8.311  -7.753
   96   2HE   MET  12           HE2      MET  12   3.936  -7.140  -8.851
   97   3HE   MET  12           HE3      MET  12   2.365  -6.802  -8.128
   98    H    TYR  13           HN       TYR  13   4.315  -4.796  -1.494
   99    HA   TYR  13           HA       TYR  13   6.373  -4.429  -0.391
  100   1HB   TYR  13           HB2      TYR  13   7.773  -5.967  -2.579
  101   2HB   TYR  13           HB1      TYR  13   8.336  -5.636  -0.942
  102    HD1  TYR  13           HD1      TYR  13   6.327  -6.328   0.867
  103    HD2  TYR  13           HD2      TYR  13   7.200  -8.204  -2.897
  104    HE1  TYR  13           HE1      TYR  13   5.270  -8.420   1.668
  105    HE2  TYR  13           HE2      TYR  13   6.142 -10.298  -2.098
  106    HH   TYR  13           HH       TYR  13   5.332 -10.807   1.189
  107    H    ASP  14           HN       ASP  14   5.198  -2.597  -2.123
  108    HA   ASP  14           HA       ASP  14   7.493  -1.525  -3.701
  109   1HB   ASP  14           HB2      ASP  14   4.565  -0.724  -3.683
  110   2HB   ASP  14           HB1      ASP  14   5.812   0.021  -4.683
  111    H    CYS  15           HN       CYS  15   5.251  -0.808  -1.067
  112    HA   CYS  15           HA       CYS  15   6.049   1.892  -0.561
  113   1HB   CYS  15           HB2      CYS  15   5.404  -0.049   1.650
  114   2HB   CYS  15           HB1      CYS  15   5.031   1.669   1.547
  115    H    CYS  16           HN       CYS  16   7.857   2.672   0.022
  116    HA   CYS  16           HA       CYS  16  10.228   1.201   0.389
  117   1HB   CYS  16           HB2      CYS  16   9.503   3.845   0.109
  118   2HB   CYS  16           HB1      CYS  16  10.139   3.786   1.741
  119    H    THR  17           HN       THR  17   7.739   2.166   2.671
  120    HA   THR  17           HA       THR  17   9.137   0.615   4.775
  121    HB   THR  17           HB       THR  17   8.017   2.796   6.132
  122    HG1  THR  17           HG1      THR  17   9.248   4.491   5.049
  123   1HG2  THR  17          HG21      THR  17  10.065   1.541   6.725
  124   2HG2  THR  17          HG22      THR  17  10.355   3.281   6.703
  125   3HG2  THR  17          HG23      THR  17  10.901   2.279   5.359
  126    H    GLY  18           HN       GLY  18   6.408   2.788   5.064
  127   1HA   GLY  18           HA2      GLY  18   4.707   1.222   6.548
  128   2HA   GLY  18           HA1      GLY  18   4.096   2.331   5.319
  129    H    SER  19           HN       SER  19   2.753  -0.067   5.874
  130    HA   SER  19           HA       SER  19   3.497  -1.853   3.605
  131   1HB   SER  19           HB2      SER  19   2.242  -2.258   6.234
  132   2HB   SER  19           HB1      SER  19   1.418  -3.095   4.920
  133    HG   SER  19           HG       SER  19   2.980  -4.486   5.343
  134    H    CYS  20           HN       CYS  20   1.472  -2.832   2.476
  135    HA   CYS  20           HA       CYS  20  -0.071  -0.619   1.390
  136   1HB   CYS  20           HB2      CYS  20  -0.585  -3.576   0.990
  137   2HB   CYS  20           HB1      CYS  20  -1.020  -2.248  -0.089
  138    H    ARG  21           HN       ARG  21  -1.311   0.165   3.222
  139    HA   ARG  21           HA       ARG  21  -3.341  -1.767   4.264
  140   1HB   ARG  21           HB2      ARG  21  -1.882   0.518   5.448
  141   2HB   ARG  21           HB1      ARG  21  -3.593   0.421   5.869
  142   1HG   ARG  21           HG2      ARG  21  -3.149  -2.064   6.377
  143   2HG   ARG  21           HG1      ARG  21  -1.436  -1.640   6.333
  144   1HD   ARG  21           HD2      ARG  21  -2.436   0.346   7.926
  145   2HD   ARG  21           HD1      ARG  21  -3.478  -1.005   8.367
  146    HE   ARG  21           HE       ARG  21  -0.924  -2.084   8.427
  147   1HH1  ARG  21          HH21      ARG  21  -2.523   0.643   9.818
  148   2HH1  ARG  21          HH22      ARG  21  -1.555   0.642  11.252
  149   1HH2  ARG  21          HH11      ARG  21   0.346  -2.093  10.291
  150   2HH2  ARG  21          HH12      ARG  21   0.066  -0.907  11.522
  151    H    SER  22           HN       SER  22  -5.533  -1.278   4.056
  152    HA   SER  22           HA       SER  22  -7.404  -0.334   2.986
  153   1HB   SER  22           HB2      SER  22  -6.298   1.560   4.659
  154   2HB   SER  22           HB1      SER  22  -6.373   2.418   3.123
  155    HG   SER  22           HG       SER  22  -8.521   2.199   3.090
  156    H    GLY  23           HN       GLY  23  -5.235  -1.154   1.286
  157   1HA   GLY  23           HA2      GLY  23  -4.654  -0.986  -0.981
  158   2HA   GLY  23           HA1      GLY  23  -5.989   0.154  -1.158
  159    H    LYS  24           HN       LYS  24  -3.905   1.112   1.321
  160    HA   LYS  24           HA       LYS  24  -2.527   2.993  -0.535
  161   1HB   LYS  24           HB2      LYS  24  -3.403   3.435   2.326
  162   2HB   LYS  24           HB1      LYS  24  -2.525   4.606   1.340
  163   1HG   LYS  24           HG2      LYS  24  -4.330   4.901  -0.134
  164   2HG   LYS  24           HG1      LYS  24  -5.106   3.407   0.376
  165   1HD   LYS  24           HD2      LYS  24  -6.281   5.363   1.319
  166   2HD   LYS  24           HD1      LYS  24  -5.549   4.394   2.600
  167   1HE   LYS  24           HE2      LYS  24  -3.495   5.993   2.264
  168   2HE   LYS  24           HE1      LYS  24  -4.683   7.064   1.522
  169   1HZ   LYS  24           HZ1      LYS  24  -5.767   6.034   3.890
  170   2HZ   LYS  24           HZ2      LYS  24  -5.369   7.646   3.526
  171   3HZ   LYS  24           HZ3      LYS  24  -4.217   6.623   4.241
  172   1H    CYS  25           H1       CYS  25   2.865   1.777   2.779
  173    H    CYS  25           HN       CYS  25  -0.351   3.286  -0.291
  174    HA   CYS  25           HA       CYS  25   1.229   1.245   0.883
  175   1HB   CYS  25           HB2      CYS  25   1.702   3.864  -0.352
  176   2HB   CYS  25           HB1      CYS  25   2.858   3.502   0.928
  Start of MODEL   26
    1   2H    CYS   1           HT2      CYS   1  12.278   3.020  -4.028
    2   3H    CYS   1           HT3      CYS   1  11.117   2.791  -5.245
    3    HA   CYS   1           HA       CYS   1   9.974   1.238  -3.565
    4   1HB   CYS   1           HB2      CYS   1  10.456   1.646  -1.279
    5   2HB   CYS   1           HB1      CYS   1  12.032   1.422  -2.035
    6    H    LYS   2           HN       LYS   2   8.286   2.400  -2.121
    7    HA   LYS   2           HA       LYS   2   7.819   5.144  -3.193
    8   1HB   LYS   2           HB2      LYS   2   6.000   2.770  -3.034
    9   2HB   LYS   2           HB1      LYS   2   5.313   4.390  -2.902
   10   1HG   LYS   2           HG2      LYS   2   7.283   4.070  -5.074
   11   2HG   LYS   2           HG1      LYS   2   5.814   3.116  -5.272
   12   1HD   LYS   2           HD2      LYS   2   4.477   5.194  -4.833
   13   2HD   LYS   2           HD1      LYS   2   5.985   6.108  -4.821
   14   1HE   LYS   2           HE2      LYS   2   6.413   5.035  -7.142
   15   2HE   LYS   2           HE1      LYS   2   4.691   4.652  -7.123
   16   1HZ   LYS   2           HZ1      LYS   2   6.013   7.273  -7.194
   17   2HZ   LYS   2           HZ2      LYS   2   4.483   7.144  -6.466
   18   3HZ   LYS   2           HZ3      LYS   2   4.692   6.710  -8.095
   19    H    GLY   3           HN       GLY   3   6.081   6.293  -1.807
   20   1HA   GLY   3           HA2      GLY   3   6.585   5.650   1.073
   21   2HA   GLY   3           HA1      GLY   3   6.435   7.301   0.467
   22    H    LYS   4           HN       LYS   4   4.711   6.794   2.451
   23    HA   LYS   4           HA       LYS   4   2.300   5.480   1.883
   24   1HB   LYS   4           HB2      LYS   4   3.093   7.790   3.609
   25   2HB   LYS   4           HB1      LYS   4   1.395   7.394   3.429
   26   1HG   LYS   4           HG2      LYS   4   1.590   5.622   4.792
   27   2HG   LYS   4           HG1      LYS   4   2.936   4.994   3.848
   28   1HD   LYS   4           HD2      LYS   4   4.536   6.121   5.132
   29   2HD   LYS   4           HD1      LYS   4   3.370   7.305   5.722
   30   1HE   LYS   4           HE2      LYS   4   3.951   5.701   7.499
   31   2HE   LYS   4           HE1      LYS   4   2.254   5.540   7.046
   32   1HZ   LYS   4           HZ1      LYS   4   3.778   3.452   7.230
   33   2HZ   LYS   4           HZ2      LYS   4   4.253   3.900   5.662
   34   3HZ   LYS   4           HZ3      LYS   4   2.622   3.563   5.993
   35    H    GLY   5           HN       GLY   5   0.329   6.238   1.019
   36   1HA   GLY   5           HA2      GLY   5  -1.056   7.920  -0.067
   37   2HA   GLY   5           HA1      GLY   5   0.412   8.829  -0.449
   38    H    ALA   6           HN       ALA   6   1.824   6.341  -1.237
   39    HA   ALA   6           HA       ALA   6   1.118   6.357  -4.036
   40   1HB   ALA   6           HB1      ALA   6   3.413   5.907  -3.444
   41   2HB   ALA   6           HB2      ALA   6   2.759   4.425  -4.143
   42   3HB   ALA   6           HB3      ALA   6   2.935   4.572  -2.394
   43    H    LYS   7           HN       LYS   7  -1.214   5.833  -3.565
   44    HA   LYS   7           HA       LYS   7  -2.449   3.692  -2.522
   45   1HB   LYS   7           HB2      LYS   7  -4.046   3.715  -4.322
   46   2HB   LYS   7           HB1      LYS   7  -3.469   5.370  -4.109
   47   1HG   LYS   7           HG2      LYS   7  -1.640   4.179  -5.866
   48   2HG   LYS   7           HG1      LYS   7  -3.221   3.637  -6.411
   49   1HD   LYS   7           HD2      LYS   7  -2.893   5.694  -7.543
   50   2HD   LYS   7           HD1      LYS   7  -3.952   6.099  -6.192
   51   1HE   LYS   7           HE2      LYS   7  -1.178   6.241  -5.377
   52   2HE   LYS   7           HE1      LYS   7  -1.459   7.261  -6.788
   53   1HZ   LYS   7           HZ1      LYS   7  -2.532   8.712  -5.530
   54   2HZ   LYS   7           HZ2      LYS   7  -2.141   7.795  -4.154
   55   3HZ   LYS   7           HZ3      LYS   7  -3.604   7.522  -4.973
   56    H    CYS   8           HN       CYS   8  -2.805   1.461  -3.056
   57    HA   CYS   8           HA       CYS   8  -1.393   0.228  -5.281
   58   1HB   CYS   8           HB2      CYS   8  -0.129  -1.278  -3.450
   59   2HB   CYS   8           HB1      CYS   8   0.585   0.193  -4.108
   60    H    SER   9           HN       SER   9  -1.259  -2.381  -4.416
   61    HA   SER   9           HA       SER   9  -4.126  -3.004  -4.066
   62   1HB   SER   9           HB2      SER   9  -1.785  -4.349  -5.247
   63   2HB   SER   9           HB1      SER   9  -2.889  -5.415  -4.382
   64    HG   SER   9           HG       SER   9  -3.615  -3.534  -6.388
   65    H    ARG  10           HN       ARG  10  -1.662  -5.209  -3.025
   66    HA   ARG  10           HA       ARG  10  -1.766  -4.583  -0.216
   67   1HB   ARG  10           HB2      ARG  10  -3.996  -6.019  -1.247
   68   2HB   ARG  10           HB1      ARG  10  -3.028  -7.159  -0.312
   69   1HG   ARG  10           HG2      ARG  10  -3.468  -6.111   1.661
   70   2HG   ARG  10           HG1      ARG  10  -3.364  -4.505   0.940
   71   1HD   ARG  10           HD2      ARG  10  -5.598  -4.400   0.571
   72   2HD   ARG  10           HD1      ARG  10  -5.667  -6.065  -0.008
   73    HE   ARG  10           HE       ARG  10  -5.294  -6.329   2.726
   74   1HH1  ARG  10          HH21      ARG  10  -7.495  -4.660   0.651
   75   2HH1  ARG  10          HH22      ARG  10  -8.818  -4.758   1.764
   76   1HH2  ARG  10          HH11      ARG  10  -7.011  -6.460   4.184
   77   2HH2  ARG  10          HH12      ARG  10  -8.545  -5.775   3.762
   78    H    LEU  11           HN       LEU  11   0.248  -5.213   0.311
   79    HA   LEU  11           HA       LEU  11   2.019  -6.722   0.728
   80   1HB   LEU  11           HB2      LEU  11  -0.066  -8.451   0.206
   81   2HB   LEU  11           HB1      LEU  11   1.094  -8.869  -1.055
   82    HG   LEU  11           HG       LEU  11   2.386  -8.464   1.531
   83   1HD1  LEU  11          HD11      LEU  11   0.158  -9.331   2.290
   84   2HD1  LEU  11          HD12      LEU  11   1.489 -10.431   2.646
   85   3HD1  LEU  11          HD13      LEU  11   0.415 -10.757   1.285
   86   1HD2  LEU  11          HD21      LEU  11   3.425  -9.544  -0.434
   87   2HD2  LEU  11          HD22      LEU  11   2.208 -10.819  -0.379
   88   3HD2  LEU  11          HD23      LEU  11   3.372 -10.653   0.936
   89    H    MET  12           HN       MET  12   1.325  -5.053  -1.849
   90    HA   MET  12           HA       MET  12   2.727  -6.227  -4.035
   91   1HB   MET  12           HB2      MET  12   1.834  -3.502  -3.270
   92   2HB   MET  12           HB1      MET  12   3.159  -3.577  -4.434
   93   1HG   MET  12           HG2      MET  12   0.914  -5.449  -4.926
   94   2HG   MET  12           HG1      MET  12   0.543  -3.739  -5.143
   95   1HE   MET  12           HE1      MET  12   0.854  -5.226  -8.561
   96   2HE   MET  12           HE2      MET  12   0.130  -5.675  -7.019
   97   3HE   MET  12           HE3      MET  12   1.501  -6.590  -7.641
   98    H    TYR  13           HN       TYR  13   3.842  -4.794  -1.089
   99    HA   TYR  13           HA       TYR  13   6.004  -4.567  -0.217
  100   1HB   TYR  13           HB2      TYR  13   6.339  -6.533  -2.437
  101   2HB   TYR  13           HB1      TYR  13   7.798  -5.802  -1.771
  102    HD1  TYR  13           HD1      TYR  13   4.549  -6.784  -0.179
  103    HD2  TYR  13           HD2      TYR  13   8.805  -7.347  -0.339
  104    HE1  TYR  13           HE1      TYR  13   4.421  -8.309   1.772
  105    HE2  TYR  13           HE2      TYR  13   8.677  -8.871   1.612
  106    HH   TYR  13           HH       TYR  13   5.966  -9.098   3.594
  107    H    ASP  14           HN       ASP  14   5.181  -2.334  -1.533
  108    HA   ASP  14           HA       ASP  14   7.587  -1.548  -3.122
  109   1HB   ASP  14           HB2      ASP  14   4.755  -0.494  -3.369
  110   2HB   ASP  14           HB1      ASP  14   6.144   0.068  -4.293
  111    H    CYS  15           HN       CYS  15   5.316  -0.715  -0.576
  112    HA   CYS  15           HA       CYS  15   6.095   1.995  -0.132
  113   1HB   CYS  15           HB2      CYS  15   5.500   0.141   2.164
  114   2HB   CYS  15           HB1      CYS  15   5.072   1.838   1.966
  115    H    CYS  16           HN       CYS  16   7.905   2.813   0.397
  116    HA   CYS  16           HA       CYS  16  10.306   1.413   0.814
  117   1HB   CYS  16           HB2      CYS  16   9.553   4.018   0.443
  118   2HB   CYS  16           HB1      CYS  16  10.108   4.037   2.107
  119    H    THR  17           HN       THR  17   7.818   2.393   3.089
  120    HA   THR  17           HA       THR  17   9.260   0.887   5.206
  121    HB   THR  17           HB       THR  17   9.858   3.218   5.619
  122    HG1  THR  17           HG1      THR  17   9.226   3.226   7.682
  123   1HG2  THR  17          HG21      THR  17   6.908   3.839   5.802
  124   2HG2  THR  17          HG22      THR  17   7.830   4.082   4.318
  125   3HG2  THR  17          HG23      THR  17   8.259   4.973   5.778
  126    H    GLY  18           HN       GLY  18   7.802  -0.680   5.709
  127   1HA   GLY  18           HA2      GLY  18   5.750  -1.249   6.922
  128   2HA   GLY  18           HA1      GLY  18   4.982   0.164   6.198
  129    H    SER  19           HN       SER  19   3.281  -0.938   5.173
  130    HA   SER  19           HA       SER  19   4.058  -2.402   2.732
  131   1HB   SER  19           HB2      SER  19   2.857  -4.391   3.217
  132   2HB   SER  19           HB1      SER  19   3.777  -4.061   4.682
  133    HG   SER  19           HG       SER  19   1.935  -3.958   5.669
  134    H    CYS  20           HN       CYS  20   1.873  -3.038   1.555
  135    HA   CYS  20           HA       CYS  20   0.271  -0.561   1.462
  136   1HB   CYS  20           HB2      CYS  20   0.645  -2.936  -0.314
  137   2HB   CYS  20           HB1      CYS  20  -0.796  -1.926  -0.502
  138    H    ARG  21           HN       ARG  21  -1.234  -0.541   3.100
  139    HA   ARG  21           HA       ARG  21  -2.952  -2.976   3.406
  140   1HB   ARG  21           HB2      ARG  21  -1.977  -0.925   5.386
  141   2HB   ARG  21           HB1      ARG  21  -3.461  -1.827   5.697
  142   1HG   ARG  21           HG2      ARG  21  -2.307  -3.925   5.634
  143   2HG   ARG  21           HG1      ARG  21  -0.845  -3.173   4.993
  144   1HD   ARG  21           HD2      ARG  21  -0.464  -3.528   7.340
  145   2HD   ARG  21           HD1      ARG  21  -0.741  -1.800   7.124
  146    HE   ARG  21           HE       ARG  21  -3.263  -2.834   7.672
  147   1HH1  ARG  21          HH21      ARG  21  -0.138  -2.892   9.143
  148   2HH1  ARG  21          HH22      ARG  21  -0.757  -3.013  10.755
  149   1HH2  ARG  21          HH11      ARG  21  -4.081  -2.992   9.772
  150   2HH2  ARG  21          HH12      ARG  21  -2.986  -3.071  11.112
  151    H    SER  22           HN       SER  22  -5.192  -2.665   3.362
  152    HA   SER  22           HA       SER  22  -7.232  -1.501   3.131
  153   1HB   SER  22           HB2      SER  22  -5.944   1.170   2.946
  154   2HB   SER  22           HB1      SER  22  -7.380   0.670   3.836
  155    HG   SER  22           HG       SER  22  -4.991   1.053   4.799
  156    H    GLY  23           HN       GLY  23  -4.430  -0.447   1.214
  157   1HA   GLY  23           HA2      GLY  23  -5.038  -1.135  -1.265
  158   2HA   GLY  23           HA1      GLY  23  -6.227   0.151  -1.058
  159    H    LYS  24           HN       LYS  24  -3.681   1.147   0.801
  160    HA   LYS  24           HA       LYS  24  -2.175   2.292  -1.487
  161   1HB   LYS  24           HB2      LYS  24  -3.132   4.045   0.780
  162   2HB   LYS  24           HB1      LYS  24  -2.412   4.546  -0.751
  163   1HG   LYS  24           HG2      LYS  24  -4.343   4.035  -1.972
  164   2HG   LYS  24           HG1      LYS  24  -4.953   2.964  -0.720
  165   1HD   LYS  24           HD2      LYS  24  -4.610   5.927  -0.262
  166   2HD   LYS  24           HD1      LYS  24  -6.106   5.243  -0.900
  167   1HE   LYS  24           HE2      LYS  24  -5.814   3.601   1.182
  168   2HE   LYS  24           HE1      LYS  24  -4.906   4.971   1.824
  169   1HZ   LYS  24           HZ1      LYS  24  -6.780   6.388   1.501
  170   2HZ   LYS  24           HZ2      LYS  24  -7.302   5.020   2.362
  171   3HZ   LYS  24           HZ3      LYS  24  -7.646   5.167   0.704
  172   1H    CYS  25           H1       CYS  25   2.520   2.462   2.911
  173    H    CYS  25           HN       CYS  25  -0.074   2.918  -1.006
  174    HA   CYS  25           HA       CYS  25   1.304   1.449   0.984
  175   1HB   CYS  25           HB2      CYS  25   1.961   3.686  -0.836
  176   2HB   CYS  25           HB1      CYS  25   2.958   3.604   0.617
  Start of MODEL   27
    1   2H    CYS   1           HT2      CYS   1  12.565   3.253  -3.943
    2   3H    CYS   1           HT3      CYS   1  11.322   3.700  -5.010
    3    HA   CYS   1           HA       CYS   1  10.261   1.548  -3.742
    4   1HB   CYS   1           HB2      CYS   1  10.663   1.820  -1.408
    5   2HB   CYS   1           HB1      CYS   1  12.253   1.726  -2.167
    6    H    LYS   2           HN       LYS   2   8.310   2.218  -2.584
    7    HA   LYS   2           HA       LYS   2   7.552   4.993  -3.311
    8   1HB   LYS   2           HB2      LYS   2   5.950   2.472  -2.846
    9   2HB   LYS   2           HB1      LYS   2   5.189   4.060  -2.949
   10   1HG   LYS   2           HG2      LYS   2   5.226   2.854  -5.137
   11   2HG   LYS   2           HG1      LYS   2   6.081   4.393  -5.187
   12   1HD   LYS   2           HD2      LYS   2   8.194   3.356  -5.172
   13   2HD   LYS   2           HD1      LYS   2   7.540   1.825  -4.588
   14   1HE   LYS   2           HE2      LYS   2   8.006   1.532  -6.928
   15   2HE   LYS   2           HE1      LYS   2   6.255   1.670  -6.773
   16   1HZ   LYS   2           HZ1      LYS   2   7.723   4.153  -7.146
   17   2HZ   LYS   2           HZ2      LYS   2   6.226   3.666  -7.788
   18   3HZ   LYS   2           HZ3      LYS   2   7.674   3.109  -8.481
   19    H    GLY   3           HN       GLY   3   5.662   5.762  -1.724
   20   1HA   GLY   3           HA2      GLY   3   6.447   5.134   1.088
   21   2HA   GLY   3           HA1      GLY   3   6.322   6.815   0.559
   22    H    LYS   4           HN       LYS   4   4.649   6.050   2.630
   23    HA   LYS   4           HA       LYS   4   2.184   4.927   1.947
   24   1HB   LYS   4           HB2      LYS   4   1.412   5.785   3.951
   25   2HB   LYS   4           HB1      LYS   4   3.137   5.832   4.222
   26   1HG   LYS   4           HG2      LYS   4   2.990   8.228   3.212
   27   2HG   LYS   4           HG1      LYS   4   1.275   8.096   3.584
   28   1HD   LYS   4           HD2      LYS   4   3.166   7.308   5.740
   29   2HD   LYS   4           HD1      LYS   4   3.056   9.029   5.372
   30   1HE   LYS   4           HE2      LYS   4   0.611   8.944   5.659
   31   2HE   LYS   4           HE1      LYS   4   0.706   7.218   6.003
   32   1HZ   LYS   4           HZ1      LYS   4   1.482   9.491   7.660
   33   2HZ   LYS   4           HZ2      LYS   4   2.439   8.092   7.770
   34   3HZ   LYS   4           HZ3      LYS   4   0.775   8.015   8.106
   35    H    GLY   5           HN       GLY   5   0.185   5.930   1.338
   36   1HA   GLY   5           HA2      GLY   5  -1.133   7.711   0.386
   37   2HA   GLY   5           HA1      GLY   5   0.353   8.640   0.144
   38    H    ALA   6           HN       ALA   6   1.722   6.210  -0.922
   39    HA   ALA   6           HA       ALA   6   0.964   6.560  -3.708
   40   1HB   ALA   6           HB1      ALA   6   2.981   5.590  -4.179
   41   2HB   ALA   6           HB2      ALA   6   2.750   4.315  -2.984
   42   3HB   ALA   6           HB3      ALA   6   3.310   5.906  -2.475
   43    H    LYS   7           HN       LYS   7  -1.278   5.819  -3.304
   44    HA   LYS   7           HA       LYS   7  -2.371   3.551  -2.426
   45   1HB   LYS   7           HB2      LYS   7  -3.960   3.589  -4.222
   46   2HB   LYS   7           HB1      LYS   7  -3.468   5.259  -3.930
   47   1HG   LYS   7           HG2      LYS   7  -1.579   4.261  -5.731
   48   2HG   LYS   7           HG1      LYS   7  -3.121   3.643  -6.305
   49   1HD   LYS   7           HD2      LYS   7  -3.108   6.484  -5.455
   50   2HD   LYS   7           HD1      LYS   7  -2.215   6.115  -6.932
   51   1HE   LYS   7           HE2      LYS   7  -4.383   6.527  -7.734
   52   2HE   LYS   7           HE1      LYS   7  -4.348   4.768  -7.599
   53   1HZ   LYS   7           HZ1      LYS   7  -5.611   4.803  -5.683
   54   2HZ   LYS   7           HZ2      LYS   7  -6.319   6.046  -6.597
   55   3HZ   LYS   7           HZ3      LYS   7  -5.250   6.422  -5.332
   56    H    CYS   8           HN       CYS   8  -2.544   1.339  -3.041
   57    HA   CYS   8           HA       CYS   8  -1.121   0.294  -5.344
   58   1HB   CYS   8           HB2      CYS   8   0.355  -1.157  -3.641
   59   2HB   CYS   8           HB1      CYS   8   0.900   0.402  -4.244
   60    H    SER   9           HN       SER   9  -0.724  -2.354  -4.396
   61    HA   SER   9           HA       SER   9  -3.552  -3.167  -4.130
   62   1HB   SER   9           HB2      SER   9  -1.657  -4.158  -5.732
   63   2HB   SER   9           HB1      SER   9  -1.323  -5.152  -4.318
   64    HG   SER   9           HG       SER   9  -3.749  -4.886  -5.763
   65    H    ARG  10           HN       ARG  10  -2.444  -5.787  -2.907
   66    HA   ARG  10           HA       ARG  10  -2.535  -4.775  -0.108
   67   1HB   ARG  10           HB2      ARG  10  -4.236  -6.468  -0.890
   68   2HB   ARG  10           HB1      ARG  10  -2.914  -7.617  -1.089
   69   1HG   ARG  10           HG2      ARG  10  -3.222  -8.148   1.085
   70   2HG   ARG  10           HG1      ARG  10  -2.502  -6.582   1.460
   71   1HD   ARG  10           HD2      ARG  10  -4.928  -5.672   1.051
   72   2HD   ARG  10           HD1      ARG  10  -5.405  -7.344   1.337
   73    HE   ARG  10           HE       ARG  10  -3.735  -6.763   3.468
   74   1HH1  ARG  10          HH21      ARG  10  -6.541  -5.346   2.031
   75   2HH1  ARG  10          HH22      ARG  10  -7.125  -4.684   3.520
   76   1HH2  ARG  10          HH11      ARG  10  -4.491  -5.907   5.414
   77   2HH2  ARG  10          HH12      ARG  10  -5.968  -5.002   5.433
   78    H    LEU  11           HN       LEU  11  -0.981  -7.551  -1.777
   79    HA   LEU  11           HA       LEU  11   1.316  -7.215   0.085
   80   1HB   LEU  11           HB2      LEU  11   0.194  -9.496  -1.493
   81   2HB   LEU  11           HB1      LEU  11   1.922  -9.503  -1.132
   82    HG   LEU  11           HG       LEU  11   0.847  -8.780   1.292
   83   1HD1  LEU  11          HD11      LEU  11  -1.309  -9.403   1.431
   84   2HD1  LEU  11          HD12      LEU  11  -0.851 -11.056   1.020
   85   3HD1  LEU  11          HD13      LEU  11  -1.279  -9.916  -0.256
   86   1HD2  LEU  11          HD21      LEU  11   1.005 -11.503   1.513
   87   2HD2  LEU  11          HD22      LEU  11   2.404 -10.429   1.532
   88   3HD2  LEU  11          HD23      LEU  11   1.926 -11.230   0.036
   89    H    MET  12           HN       MET  12   1.306  -5.243  -1.810
   90    HA   MET  12           HA       MET  12   2.866  -6.054  -4.153
   91   1HB   MET  12           HB2      MET  12   1.332  -3.799  -3.414
   92   2HB   MET  12           HB1      MET  12   2.988  -3.220  -3.596
   93   1HG   MET  12           HG2      MET  12   2.035  -3.065  -5.773
   94   2HG   MET  12           HG1      MET  12   3.033  -4.518  -5.809
   95   1HE   MET  12           HE1      MET  12   1.072  -7.197  -6.818
   96   2HE   MET  12           HE2      MET  12   2.577  -6.301  -6.625
   97   3HE   MET  12           HE3      MET  12   1.469  -5.878  -7.928
   98    H    TYR  13           HN       TYR  13   3.470  -4.546  -1.013
   99    HA   TYR  13           HA       TYR  13   5.470  -4.206   0.154
  100   1HB   TYR  13           HB2      TYR  13   6.319  -6.310  -1.841
  101   2HB   TYR  13           HB1      TYR  13   7.422  -5.668  -0.624
  102    HD1  TYR  13           HD1      TYR  13   5.449  -8.380  -1.236
  103    HD2  TYR  13           HD2      TYR  13   6.007  -5.378   1.783
  104    HE1  TYR  13           HE1      TYR  13   4.475  -9.904   0.457
  105    HE2  TYR  13           HE2      TYR  13   5.033  -6.900   3.479
  106    HH   TYR  13           HH       TYR  13   3.195  -9.252   2.999
  107    H    ASP  14           HN       ASP  14   4.888  -2.213  -1.664
  108    HA   ASP  14           HA       ASP  14   7.518  -1.675  -2.978
  109   1HB   ASP  14           HB2      ASP  14   5.748   0.282  -3.876
  110   2HB   ASP  14           HB1      ASP  14   6.239  -1.155  -4.769
  111    H    CYS  15           HN       CYS  15   5.570  -0.857  -0.335
  112    HA   CYS  15           HA       CYS  15   6.270   1.950  -0.091
  113   1HB   CYS  15           HB2      CYS  15   5.738   0.241   2.314
  114   2HB   CYS  15           HB1      CYS  15   5.239   1.898   1.980
  115    H    CYS  16           HN       CYS  16   8.109   2.746   0.324
  116    HA   CYS  16           HA       CYS  16  10.523   1.442   0.651
  117   1HB   CYS  16           HB2      CYS  16   9.683   4.039   0.544
  118   2HB   CYS  16           HB1      CYS  16  10.274   3.928   2.193
  119    H    THR  17           HN       THR  17   8.571   2.825   3.328
  120    HA   THR  17           HA       THR  17   9.744   0.720   5.092
  121    HB   THR  17           HB       THR  17  10.965   2.743   5.614
  122    HG1  THR  17           HG1      THR  17  10.272   1.567   7.408
  123   1HG2  THR  17          HG21      THR  17   8.225   3.974   5.492
  124   2HG2  THR  17          HG22      THR  17   9.717   4.509   4.718
  125   3HG2  THR  17          HG23      THR  17   9.492   4.734   6.453
  126    H    GLY  18           HN       GLY  18   7.341   0.229   4.039
  127   1HA   GLY  18           HA2      GLY  18   5.589   0.155   6.324
  128   2HA   GLY  18           HA1      GLY  18   5.028   1.356   5.158
  129    H    SER  19           HN       SER  19   3.130  -0.037   4.840
  130    HA   SER  19           HA       SER  19   3.692  -2.123   2.802
  131   1HB   SER  19           HB2      SER  19   1.968  -2.537   5.261
  132   2HB   SER  19           HB1      SER  19   2.018  -3.634   3.884
  133    HG   SER  19           HG       SER  19   3.555  -4.461   5.125
  134    H    CYS  20           HN       CYS  20   1.545  -2.804   1.748
  135    HA   CYS  20           HA       CYS  20  -0.014  -0.335   1.244
  136   1HB   CYS  20           HB2      CYS  20   0.252  -2.969  -0.201
  137   2HB   CYS  20           HB1      CYS  20  -0.953  -1.751  -0.648
  138    H    ARG  21           HN       ARG  21  -1.202  -0.373   3.244
  139    HA   ARG  21           HA       ARG  21  -3.064  -2.660   3.635
  140   1HB   ARG  21           HB2      ARG  21  -1.927  -2.092   5.655
  141   2HB   ARG  21           HB1      ARG  21  -2.186  -0.367   5.403
  142   1HG   ARG  21           HG2      ARG  21  -4.618  -0.687   5.688
  143   2HG   ARG  21           HG1      ARG  21  -4.359  -2.414   5.941
  144   1HD   ARG  21           HD2      ARG  21  -4.565  -1.326   8.110
  145   2HD   ARG  21           HD1      ARG  21  -2.897  -1.859   7.895
  146    HE   ARG  21           HE       ARG  21  -2.859   0.740   6.964
  147   1HH1  ARG  21          HH21      ARG  21  -3.949  -0.844   9.834
  148   2HH1  ARG  21          HH22      ARG  21  -3.622   0.513  10.860
  149   1HH2  ARG  21          HH11      ARG  21  -2.428   2.511   8.293
  150   2HH2  ARG  21          HH12      ARG  21  -2.761   2.409   9.989
  151    H    SER  22           HN       SER  22  -5.226  -2.433   3.263
  152    HA   SER  22           HA       SER  22  -7.297  -1.365   2.878
  153   1HB   SER  22           HB2      SER  22  -7.602   0.750   3.670
  154   2HB   SER  22           HB1      SER  22  -5.984   0.542   4.331
  155    HG   SER  22           HG       SER  22  -6.870   2.029   2.156
  156    H    GLY  23           HN       GLY  23  -4.449  -1.085   1.092
  157   1HA   GLY  23           HA2      GLY  23  -4.758  -1.431  -1.360
  158   2HA   GLY  23           HA1      GLY  23  -6.011  -0.193  -1.289
  159    H    LYS  24           HN       LYS  24  -3.719   0.941   0.786
  160    HA   LYS  24           HA       LYS  24  -2.150   2.209  -1.404
  161   1HB   LYS  24           HB2      LYS  24  -3.034   3.769   1.013
  162   2HB   LYS  24           HB1      LYS  24  -2.453   4.378  -0.535
  163   1HG   LYS  24           HG2      LYS  24  -4.521   4.366  -1.394
  164   2HG   LYS  24           HG1      LYS  24  -4.797   2.712  -0.892
  165   1HD   LYS  24           HD2      LYS  24  -6.425   4.105   0.234
  166   2HD   LYS  24           HD1      LYS  24  -5.253   3.553   1.430
  167   1HE   LYS  24           HE2      LYS  24  -4.949   5.722   1.971
  168   2HE   LYS  24           HE1      LYS  24  -4.141   5.906   0.414
  169   1HZ   LYS  24           HZ1      LYS  24  -7.080   6.094   0.703
  170   2HZ   LYS  24           HZ2      LYS  24  -6.117   6.604  -0.602
  171   3HZ   LYS  24           HZ3      LYS  24  -6.069   7.446   0.873
  172   1H    CYS  25           H1       CYS  25   2.669   2.186   2.906
  173    H    CYS  25           HN       CYS  25  -0.037   2.792  -0.902
  174    HA   CYS  25           HA       CYS  25   1.342   1.178   0.975
  175   1HB   CYS  25           HB2      CYS  25   1.992   3.468  -0.740
  176   2HB   CYS  25           HB1      CYS  25   2.956   3.418   0.737
  Start of MODEL   28
    1   2H    CYS   1           HT2      CYS   1  10.960   2.883  -5.528
    2   3H    CYS   1           HT3      CYS   1  11.915   1.592  -4.973
    3    HA   CYS   1           HA       CYS   1  10.022   1.192  -3.791
    4   1HB   CYS   1           HB2      CYS   1  10.442   1.799  -1.537
    5   2HB   CYS   1           HB1      CYS   1  12.032   1.711  -2.295
    6    H    LYS   2           HN       LYS   2   8.274   2.302  -2.266
    7    HA   LYS   2           HA       LYS   2   7.347   4.759  -3.690
    8   1HB   LYS   2           HB2      LYS   2   5.895   2.272  -2.879
    9   2HB   LYS   2           HB1      LYS   2   5.015   3.801  -2.879
   10   1HG   LYS   2           HG2      LYS   2   6.662   3.435  -5.274
   11   2HG   LYS   2           HG1      LYS   2   5.425   2.194  -5.090
   12   1HD   LYS   2           HD2      LYS   2   3.805   4.145  -4.603
   13   2HD   LYS   2           HD1      LYS   2   5.060   5.181  -5.278
   14   1HE   LYS   2           HE2      LYS   2   4.185   4.704  -7.306
   15   2HE   LYS   2           HE1      LYS   2   4.876   3.093  -7.111
   16   1HZ   LYS   2           HZ1      LYS   2   2.173   3.829  -7.191
   17   2HZ   LYS   2           HZ2      LYS   2   2.500   3.197  -5.649
   18   3HZ   LYS   2           HZ3      LYS   2   2.837   2.276  -7.037
   19    H    GLY   3           HN       GLY   3   5.766   6.056  -2.336
   20   1HA   GLY   3           HA2      GLY   3   6.793   6.170   0.461
   21   2HA   GLY   3           HA1      GLY   3   6.048   7.519  -0.398
   22    H    LYS   4           HN       LYS   4   5.152   6.745   2.160
   23    HA   LYS   4           HA       LYS   4   3.020   4.916   2.251
   24   1HB   LYS   4           HB2      LYS   4   4.091   6.832   3.972
   25   2HB   LYS   4           HB1      LYS   4   2.415   7.333   3.752
   26   1HG   LYS   4           HG2      LYS   4   2.269   4.564   4.010
   27   2HG   LYS   4           HG1      LYS   4   3.480   5.039   5.198
   28   1HD   LYS   4           HD2      LYS   4   1.450   6.967   5.423
   29   2HD   LYS   4           HD1      LYS   4   0.607   5.424   5.277
   30   1HE   LYS   4           HE2      LYS   4   2.901   5.899   7.195
   31   2HE   LYS   4           HE1      LYS   4   1.203   6.052   7.649
   32   1HZ   LYS   4           HZ1      LYS   4   1.403   3.886   8.117
   33   2HZ   LYS   4           HZ2      LYS   4   2.775   3.679   7.138
   34   3HZ   LYS   4           HZ3      LYS   4   1.224   3.665   6.444
   35    H    GLY   5           HN       GLY   5   0.692   5.394   2.277
   36   1HA   GLY   5           HA2      GLY   5  -1.215   6.055   1.065
   37   2HA   GLY   5           HA1      GLY   5  -0.573   7.683   1.286
   38    H    ALA   6           HN       ALA   6   1.462   5.495  -0.445
   39    HA   ALA   6           HA       ALA   6   1.185   7.122  -2.848
   40   1HB   ALA   6           HB1      ALA   6   2.943   5.569  -3.749
   41   2HB   ALA   6           HB2      ALA   6   2.871   4.690  -2.222
   42   3HB   ALA   6           HB3      ALA   6   3.401   6.372  -2.249
   43    H    LYS   7           HN       LYS   7  -0.974   5.138  -1.835
   44    HA   LYS   7           HA       LYS   7  -2.504   3.673  -2.738
   45   1HB   LYS   7           HB2      LYS   7  -1.692   5.456  -4.985
   46   2HB   LYS   7           HB1      LYS   7  -2.789   4.103  -5.303
   47   1HG   LYS   7           HG2      LYS   7  -4.409   4.900  -3.864
   48   2HG   LYS   7           HG1      LYS   7  -3.260   5.795  -2.903
   49   1HD   LYS   7           HD2      LYS   7  -3.334   7.637  -4.271
   50   2HD   LYS   7           HD1      LYS   7  -3.528   6.664  -5.730
   51   1HE   LYS   7           HE2      LYS   7  -5.850   6.319  -4.079
   52   2HE   LYS   7           HE1      LYS   7  -5.549   8.045  -4.280
   53   1HZ   LYS   7           HZ1      LYS   7  -6.936   6.987  -6.051
   54   2HZ   LYS   7           HZ2      LYS   7  -5.555   6.127  -6.540
   55   3HZ   LYS   7           HZ3      LYS   7  -5.574   7.824  -6.617
   56    H    CYS   8           HN       CYS   8  -2.480   1.608  -3.157
   57    HA   CYS   8           HA       CYS   8  -0.885   0.414  -5.260
   58   1HB   CYS   8           HB2      CYS   8   0.406  -1.057  -3.509
   59   2HB   CYS   8           HB1      CYS   8   1.016   0.545  -3.918
   60    H    SER   9           HN       SER   9  -0.728  -2.190  -4.437
   61    HA   SER   9           HA       SER   9  -3.595  -2.879  -4.211
   62   1HB   SER   9           HB2      SER   9  -1.163  -4.572  -4.854
   63   2HB   SER   9           HB1      SER   9  -2.826  -5.149  -4.873
   64    HG   SER   9           HG       SER   9  -1.919  -4.411  -6.937
   65    H    ARG  10           HN       ARG  10  -2.227  -5.612  -3.173
   66    HA   ARG  10           HA       ARG  10  -1.998  -4.770  -0.329
   67   1HB   ARG  10           HB2      ARG  10  -4.291  -5.477  -0.519
   68   2HB   ARG  10           HB1      ARG  10  -3.835  -6.898  -1.460
   69   1HG   ARG  10           HG2      ARG  10  -4.335  -7.396   0.957
   70   2HG   ARG  10           HG1      ARG  10  -2.718  -7.883   0.447
   71   1HD   ARG  10           HD2      ARG  10  -1.684  -6.132   1.600
   72   2HD   ARG  10           HD1      ARG  10  -3.146  -5.146   1.613
   73    HE   ARG  10           HE       ARG  10  -3.826  -7.351   3.145
   74   1HH1  ARG  10          HH21      ARG  10  -1.268  -5.029   3.100
   75   2HH1  ARG  10          HH22      ARG  10  -1.017  -5.083   4.812
   76   1HH2  ARG  10          HH11      ARG  10  -3.511  -7.423   5.380
   77   2HH2  ARG  10          HH12      ARG  10  -2.285  -6.434   6.102
   78    H    LEU  11           HN       LEU  11   0.055  -5.408   0.136
   79    HA   LEU  11           HA       LEU  11   1.772  -6.959   0.617
   80   1HB   LEU  11           HB2      LEU  11  -0.451  -8.599   0.301
   81   2HB   LEU  11           HB1      LEU  11   0.701  -9.236  -0.872
   82    HG   LEU  11           HG       LEU  11   2.008  -8.587   1.643
   83   1HD1  LEU  11          HD11      LEU  11  -0.498 -10.226   1.681
   84   2HD1  LEU  11          HD12      LEU  11   0.157  -9.153   2.918
   85   3HD1  LEU  11          HD13      LEU  11   0.860 -10.752   2.675
   86   1HD2  LEU  11          HD21      LEU  11   2.326 -11.242   1.306
   87   2HD2  LEU  11          HD22      LEU  11   3.229 -10.059   0.361
   88   3HD2  LEU  11          HD23      LEU  11   1.792 -10.819  -0.321
   89    H    MET  12           HN       MET  12   2.350  -5.282  -1.309
   90    HA   MET  12           HA       MET  12   3.271  -6.956  -3.613
   91   1HB   MET  12           HB2      MET  12   2.174  -4.178  -3.462
   92   2HB   MET  12           HB1      MET  12   3.406  -4.519  -4.678
   93   1HG   MET  12           HG2      MET  12   0.865  -6.132  -4.309
   94   2HG   MET  12           HG1      MET  12   1.086  -4.880  -5.530
   95   1HE   MET  12           HE1      MET  12   2.936  -4.719  -7.017
   96   2HE   MET  12           HE2      MET  12   3.686  -6.057  -7.883
   97   3HE   MET  12           HE3      MET  12   4.367  -5.518  -6.350
   98    H    TYR  13           HN       TYR  13   4.300  -5.414  -0.858
   99    HA   TYR  13           HA       TYR  13   6.393  -4.672  -0.107
  100   1HB   TYR  13           HB2      TYR  13   7.428  -6.324  -2.425
  101   2HB   TYR  13           HB1      TYR  13   8.294  -5.905  -0.945
  102    HD1  TYR  13           HD1      TYR  13   5.961  -6.254   0.979
  103    HD2  TYR  13           HD2      TYR  13   7.443  -8.713  -2.214
  104    HE1  TYR  13           HE1      TYR  13   5.030  -8.263   2.095
  105    HE2  TYR  13           HE2      TYR  13   6.514 -10.722  -1.100
  106    HH   TYR  13           HH       TYR  13   5.854 -11.437   1.148
  107    H    ASP  14           HN       ASP  14   5.574  -2.527  -1.111
  108    HA   ASP  14           HA       ASP  14   7.638  -1.632  -3.073
  109   1HB   ASP  14           HB2      ASP  14   5.672  -0.011  -3.824
  110   2HB   ASP  14           HB1      ASP  14   5.837  -1.622  -4.524
  111    H    CYS  15           HN       CYS  15   5.528  -0.871  -0.357
  112    HA   CYS  15           HA       CYS  15   6.150   1.915  -0.127
  113   1HB   CYS  15           HB2      CYS  15   5.729   0.125   2.259
  114   2HB   CYS  15           HB1      CYS  15   5.262   1.813   2.040
  115    H    CYS  16           HN       CYS  16   7.947   2.828   0.176
  116    HA   CYS  16           HA       CYS  16  10.448   1.670   0.522
  117   1HB   CYS  16           HB2      CYS  16   9.441   4.207   0.236
  118   2HB   CYS  16           HB1      CYS  16  10.130   4.260   1.847
  119    H    THR  17           HN       THR  17   8.122   2.647   3.012
  120    HA   THR  17           HA       THR  17   9.575   0.981   4.961
  121    HB   THR  17           HB       THR  17  10.709   3.106   5.271
  122    HG1  THR  17           HG1      THR  17   9.880   3.596   7.427
  123   1HG2  THR  17          HG21      THR  17   9.061   4.556   4.190
  124   2HG2  THR  17          HG22      THR  17   9.408   5.152   5.813
  125   3HG2  THR  17          HG23      THR  17   7.917   4.262   5.500
  126    H    GLY  18           HN       GLY  18   7.198   0.260   4.047
  127   1HA   GLY  18           HA2      GLY  18   5.494   0.294   6.351
  128   2HA   GLY  18           HA1      GLY  18   4.859   1.402   5.134
  129    H    SER  19           HN       SER  19   3.011  -0.116   5.023
  130    HA   SER  19           HA       SER  19   3.628  -2.386   3.183
  131   1HB   SER  19           HB2      SER  19   1.442  -3.339   4.436
  132   2HB   SER  19           HB1      SER  19   3.076  -3.673   5.004
  133    HG   SER  19           HG       SER  19   1.418  -2.757   6.532
  134    H    CYS  20           HN       CYS  20   1.438  -3.120   2.122
  135    HA   CYS  20           HA       CYS  20  -0.036  -0.634   1.361
  136   1HB   CYS  20           HB2      CYS  20   0.829  -3.039  -0.196
  137   2HB   CYS  20           HB1      CYS  20  -0.601  -2.134  -0.711
  138    H    ARG  21           HN       ARG  21  -1.635  -0.794   2.962
  139    HA   ARG  21           HA       ARG  21  -3.497  -3.111   2.647
  140   1HB   ARG  21           HB2      ARG  21  -2.061  -2.796   4.868
  141   2HB   ARG  21           HB1      ARG  21  -3.329  -1.627   5.239
  142   1HG   ARG  21           HG2      ARG  21  -4.683  -3.868   4.231
  143   2HG   ARG  21           HG1      ARG  21  -3.440  -4.521   5.296
  144   1HD   ARG  21           HD2      ARG  21  -4.835  -2.156   6.369
  145   2HD   ARG  21           HD1      ARG  21  -5.861  -3.576   6.160
  146    HE   ARG  21           HE       ARG  21  -3.609  -4.576   7.420
  147   1HH1  ARG  21          HH21      ARG  21  -5.846  -2.004   7.979
  148   2HH1  ARG  21          HH22      ARG  21  -5.703  -2.082   9.702
  149   1HH2  ARG  21          HH11      ARG  21  -3.415  -4.688   9.664
  150   2HH2  ARG  21          HH12      ARG  21  -4.328  -3.600  10.656
  151    H    SER  22           HN       SER  22  -5.751  -2.566   2.935
  152    HA   SER  22           HA       SER  22  -7.622  -1.130   2.962
  153   1HB   SER  22           HB2      SER  22  -5.841   0.302   4.427
  154   2HB   SER  22           HB1      SER  22  -6.038   1.371   3.040
  155    HG   SER  22           HG       SER  22  -7.758   1.943   4.143
  156    H    GLY  23           HN       GLY  23  -4.786  -0.221   1.017
  157   1HA   GLY  23           HA2      GLY  23  -5.639  -0.474  -1.480
  158   2HA   GLY  23           HA1      GLY  23  -6.570   0.952  -1.026
  159    H    LYS  24           HN       LYS  24  -3.828   1.306   0.752
  160    HA   LYS  24           HA       LYS  24  -2.172   2.348  -1.476
  161   1HB   LYS  24           HB2      LYS  24  -2.299   4.340   0.636
  162   2HB   LYS  24           HB1      LYS  24  -2.524   4.540  -1.099
  163   1HG   LYS  24           HG2      LYS  24  -4.834   3.729  -0.887
  164   2HG   LYS  24           HG1      LYS  24  -4.609   3.574   0.853
  165   1HD   LYS  24           HD2      LYS  24  -3.860   6.212  -0.224
  166   2HD   LYS  24           HD1      LYS  24  -5.573   5.827  -0.391
  167   1HE   LYS  24           HE2      LYS  24  -5.833   5.495   1.955
  168   2HE   LYS  24           HE1      LYS  24  -4.088   5.451   2.215
  169   1HZ   LYS  24           HZ1      LYS  24  -5.839   7.749   1.725
  170   2HZ   LYS  24           HZ2      LYS  24  -4.236   7.823   1.168
  171   3HZ   LYS  24           HZ3      LYS  24  -4.554   7.584   2.820
  172   1H    CYS  25           H1       CYS  25   2.578   1.951   2.988
  173    H    CYS  25           HN       CYS  25  -0.058   3.071  -0.735
  174    HA   CYS  25           HA       CYS  25   1.219   1.169   0.932
  175   1HB   CYS  25           HB2      CYS  25   1.982   3.656  -0.416
  176   2HB   CYS  25           HB1      CYS  25   2.878   3.386   1.080
  Start of MODEL   29
    1   2H    CYS   1           HT2      CYS   1  12.622   3.184  -4.023
    2   3H    CYS   1           HT3      CYS   1  11.412   4.065  -4.826
    3    HA   CYS   1           HA       CYS   1  10.317   1.688  -3.732
    4   1HB   CYS   1           HB2      CYS   1  10.702   2.038  -1.415
    5   2HB   CYS   1           HB1      CYS   1  12.300   2.108  -2.161
    6    H    LYS   2           HN       LYS   2   8.498   2.500  -2.152
    7    HA   LYS   2           HA       LYS   2   7.489   5.095  -3.218
    8   1HB   LYS   2           HB2      LYS   2   5.965   2.565  -2.556
    9   2HB   LYS   2           HB1      LYS   2   5.215   4.091  -3.018
   10   1HG   LYS   2           HG2      LYS   2   7.277   2.690  -4.729
   11   2HG   LYS   2           HG1      LYS   2   5.544   2.430  -4.910
   12   1HD   LYS   2           HD2      LYS   2   5.441   5.050  -5.028
   13   2HD   LYS   2           HD1      LYS   2   7.149   4.911  -5.445
   14   1HE   LYS   2           HE2      LYS   2   6.619   4.318  -7.548
   15   2HE   LYS   2           HE1      LYS   2   5.662   2.965  -6.947
   16   1HZ   LYS   2           HZ1      LYS   2   3.922   4.775  -6.454
   17   2HZ   LYS   2           HZ2      LYS   2   4.114   4.239  -8.055
   18   3HZ   LYS   2           HZ3      LYS   2   4.798   5.713  -7.561
   19    H    GLY   3           HN       GLY   3   5.646   5.940  -1.739
   20   1HA   GLY   3           HA2      GLY   3   6.334   5.427   1.129
   21   2HA   GLY   3           HA1      GLY   3   6.110   7.071   0.523
   22    H    LYS   4           HN       LYS   4   4.454   6.081   2.607
   23    HA   LYS   4           HA       LYS   4   2.082   4.852   1.852
   24   1HB   LYS   4           HB2      LYS   4   1.243   5.584   3.859
   25   2HB   LYS   4           HB1      LYS   4   2.945   5.857   4.149
   26   1HG   LYS   4           HG2      LYS   4   2.603   8.214   3.279
   27   2HG   LYS   4           HG1      LYS   4   0.875   7.895   3.335
   28   1HD   LYS   4           HD2      LYS   4   1.586   7.055   5.816
   29   2HD   LYS   4           HD1      LYS   4   2.778   8.329   5.567
   30   1HE   LYS   4           HE2      LYS   4   0.659   9.683   4.717
   31   2HE   LYS   4           HE1      LYS   4  -0.203   8.528   5.732
   32   1HZ   LYS   4           HZ1      LYS   4   2.169   9.890   6.803
   33   2HZ   LYS   4           HZ2      LYS   4   0.812   9.283   7.623
   34   3HZ   LYS   4           HZ3      LYS   4   0.697  10.729   6.739
   35    H    GLY   5           HN       GLY   5   0.034   5.732   1.227
   36   1HA   GLY   5           HA2      GLY   5  -1.373   7.436   0.250
   37   2HA   GLY   5           HA1      GLY   5   0.065   8.434  -0.001
   38    H    ALA   6           HN       ALA   6   1.628   6.192  -1.062
   39    HA   ALA   6           HA       ALA   6   0.888   6.419  -3.842
   40   1HB   ALA   6           HB1      ALA   6   2.955   5.549  -4.216
   41   2HB   ALA   6           HB2      ALA   6   2.653   4.175  -3.153
   42   3HB   ALA   6           HB3      ALA   6   3.192   5.712  -2.477
   43    H    LYS   7           HN       LYS   7  -1.365   5.657  -3.431
   44    HA   LYS   7           HA       LYS   7  -2.459   3.393  -2.570
   45   1HB   LYS   7           HB2      LYS   7  -4.001   3.394  -4.405
   46   2HB   LYS   7           HB1      LYS   7  -3.529   5.073  -4.126
   47   1HG   LYS   7           HG2      LYS   7  -1.581   4.080  -5.854
   48   2HG   LYS   7           HG1      LYS   7  -3.085   3.407  -6.459
   49   1HD   LYS   7           HD2      LYS   7  -3.578   5.394  -7.389
   50   2HD   LYS   7           HD1      LYS   7  -3.627   6.105  -5.776
   51   1HE   LYS   7           HE2      LYS   7  -1.898   7.376  -6.528
   52   2HE   LYS   7           HE1      LYS   7  -0.929   5.939  -6.199
   53   1HZ   LYS   7           HZ1      LYS   7  -0.398   6.166  -8.356
   54   2HZ   LYS   7           HZ2      LYS   7  -1.795   7.054  -8.734
   55   3HZ   LYS   7           HZ3      LYS   7  -1.869   5.362  -8.616
   56    H    CYS   8           HN       CYS   8  -2.603   1.178  -3.137
   57    HA   CYS   8           HA       CYS   8  -1.248   0.060  -5.416
   58   1HB   CYS   8           HB2      CYS   8   0.417  -1.241  -3.822
   59   2HB   CYS   8           HB1      CYS   8   0.831   0.361  -4.432
   60    H    SER   9           HN       SER   9  -0.754  -2.504  -4.594
   61    HA   SER   9           HA       SER   9  -3.484  -3.392  -3.863
   62   1HB   SER   9           HB2      SER   9  -2.215  -4.330  -5.862
   63   2HB   SER   9           HB1      SER   9  -1.139  -5.112  -4.706
   64    HG   SER   9           HG       SER   9  -3.936  -5.383  -4.504
   65    H    ARG  10           HN       ARG  10  -3.730  -5.167  -2.285
   66    HA   ARG  10           HA       ARG  10  -2.265  -4.629   0.156
   67   1HB   ARG  10           HB2      ARG  10  -4.725  -5.617  -0.345
   68   2HB   ARG  10           HB1      ARG  10  -3.856  -7.134  -0.119
   69   1HG   ARG  10           HG2      ARG  10  -3.295  -6.638   2.097
   70   2HG   ARG  10           HG1      ARG  10  -3.502  -4.899   1.861
   71   1HD   ARG  10           HD2      ARG  10  -5.360  -5.999   3.180
   72   2HD   ARG  10           HD1      ARG  10  -5.899  -5.121   1.751
   73    HE   ARG  10           HE       ARG  10  -5.503  -7.730   0.859
   74   1HH1  ARG  10          HH21      ARG  10  -7.307  -6.145   3.344
   75   2HH1  ARG  10          HH22      ARG  10  -8.568  -7.331   3.364
   76   1HH2  ARG  10          HH11      ARG  10  -7.140  -9.285   0.881
   77   2HH2  ARG  10          HH12      ARG  10  -8.472  -9.109   1.974
   78    H    LEU  11           HN       LEU  11  -0.117  -5.116  -0.974
   79    HA   LEU  11           HA       LEU  11   1.200  -7.290   0.036
   80   1HB   LEU  11           HB2      LEU  11  -0.583  -8.155  -2.091
   81   2HB   LEU  11           HB1      LEU  11   1.097  -8.581  -2.426
   82    HG   LEU  11           HG       LEU  11   0.315  -9.008   0.369
   83   1HD1  LEU  11          HD11      LEU  11  -1.652 -10.030  -0.028
   84   2HD1  LEU  11          HD12      LEU  11  -0.730 -11.291  -0.845
   85   3HD1  LEU  11          HD13      LEU  11  -1.412  -9.955  -1.773
   86   1HD2  LEU  11          HD21      LEU  11   2.225 -10.181   0.032
   87   2HD2  LEU  11          HD22      LEU  11   2.020 -10.151  -1.722
   88   3HD2  LEU  11          HD23      LEU  11   1.208 -11.387  -0.759
   89    H    MET  12           HN       MET  12   0.843  -4.986  -2.493
   90    HA   MET  12           HA       MET  12   2.949  -5.238  -4.213
   91   1HB   MET  12           HB2      MET  12   1.634  -2.958  -2.915
   92   2HB   MET  12           HB1      MET  12   3.293  -2.615  -3.404
   93   1HG   MET  12           HG2      MET  12   1.217  -3.855  -5.230
   94   2HG   MET  12           HG1      MET  12   1.595  -2.132  -5.194
   95   1HE   MET  12           HE1      MET  12   4.550  -1.627  -7.231
   96   2HE   MET  12           HE2      MET  12   3.891  -1.109  -5.680
   97   3HE   MET  12           HE3      MET  12   2.821  -1.286  -7.069
   98    H    TYR  13           HN       TYR  13   3.257  -4.078  -0.849
   99    HA   TYR  13           HA       TYR  13   5.134  -4.011   0.554
  100   1HB   TYR  13           HB2      TYR  13   5.557  -6.355  -1.225
  101   2HB   TYR  13           HB1      TYR  13   6.973  -5.770  -0.352
  102    HD1  TYR  13           HD1      TYR  13   3.451  -5.529   0.808
  103    HD2  TYR  13           HD2      TYR  13   7.228  -7.530   1.248
  104    HE1  TYR  13           HE1      TYR  13   2.633  -6.625   2.876
  105    HE2  TYR  13           HE2      TYR  13   6.408  -8.623   3.315
  106    HH   TYR  13           HH       TYR  13   3.207  -7.859   4.654
  107    H    ASP  14           HN       ASP  14   4.994  -2.336  -1.958
  108    HA   ASP  14           HA       ASP  14   7.877  -2.044  -2.612
  109   1HB   ASP  14           HB2      ASP  14   5.332  -0.931  -3.788
  110   2HB   ASP  14           HB1      ASP  14   6.897  -0.213  -4.174
  111    H    CYS  15           HN       CYS  15   5.687  -0.894  -0.360
  112    HA   CYS  15           HA       CYS  15   6.344   1.896  -0.211
  113   1HB   CYS  15           HB2      CYS  15   5.830   0.264   2.261
  114   2HB   CYS  15           HB1      CYS  15   5.306   1.901   1.880
  115    H    CYS  16           HN       CYS  16   8.100   2.846   0.292
  116    HA   CYS  16           HA       CYS  16  10.587   1.713   0.631
  117   1HB   CYS  16           HB2      CYS  16   9.541   4.244   0.585
  118   2HB   CYS  16           HB1      CYS  16  10.181   4.141   2.211
  119    H    THR  17           HN       THR  17   8.063   1.965   3.036
  120    HA   THR  17           HA       THR  17   9.896   0.631   4.963
  121    HB   THR  17           HB       THR  17   8.194   2.162   6.551
  122    HG1  THR  17           HG1      THR  17   9.349   4.129   5.100
  123   1HG2  THR  17          HG21      THR  17  10.173   2.677   7.513
  124   2HG2  THR  17          HG22      THR  17  10.807   3.373   6.022
  125   3HG2  THR  17          HG23      THR  17  10.893   1.633   6.290
  126    H    GLY  18           HN       GLY  18   6.660   1.766   5.568
  127   1HA   GLY  18           HA2      GLY  18   5.709  -0.685   6.606
  128   2HA   GLY  18           HA1      GLY  18   4.667   0.612   6.022
  129    H    SER  19           HN       SER  19   3.214  -0.961   5.112
  130    HA   SER  19           HA       SER  19   4.229  -2.143   2.560
  131   1HB   SER  19           HB2      SER  19   2.887  -4.121   2.930
  132   2HB   SER  19           HB1      SER  19   3.873  -3.866   4.368
  133    HG   SER  19           HG       SER  19   2.068  -2.876   5.339
  134    H    CYS  20           HN       CYS  20   1.801  -3.077   1.582
  135    HA   CYS  20           HA       CYS  20   0.387  -0.512   1.085
  136   1HB   CYS  20           HB2      CYS  20   0.637  -3.090  -0.428
  137   2HB   CYS  20           HB1      CYS  20  -0.671  -1.954  -0.789
  138    H    ARG  21           HN       ARG  21  -0.970  -0.371   2.892
  139    HA   ARG  21           HA       ARG  21  -2.944  -2.591   3.242
  140   1HB   ARG  21           HB2      ARG  21  -1.492  -2.031   5.222
  141   2HB   ARG  21           HB1      ARG  21  -2.205  -0.418   5.225
  142   1HG   ARG  21           HG2      ARG  21  -4.377  -1.273   5.723
  143   2HG   ARG  21           HG1      ARG  21  -3.888  -2.929   5.362
  144   1HD   ARG  21           HD2      ARG  21  -3.786  -2.929   7.691
  145   2HD   ARG  21           HD1      ARG  21  -2.126  -2.509   7.278
  146    HE   ARG  21           HE       ARG  21  -3.413  -0.058   7.478
  147   1HH1  ARG  21          HH21      ARG  21  -3.028  -2.859   9.461
  148   2HH1  ARG  21          HH22      ARG  21  -3.112  -1.975  10.949
  149   1HH2  ARG  21          HH11      ARG  21  -3.532   1.102   9.410
  150   2HH2  ARG  21          HH12      ARG  21  -3.399   0.265  10.919
  151    H    SER  22           HN       SER  22  -5.177  -1.924   3.644
  152    HA   SER  22           HA       SER  22  -7.079  -0.629   3.186
  153   1HB   SER  22           HB2      SER  22  -5.963   0.987   4.730
  154   2HB   SER  22           HB1      SER  22  -5.136   1.694   3.344
  155    HG   SER  22           HG       SER  22  -7.508   1.742   2.540
  156    H    GLY  23           HN       GLY  23  -4.752  -1.275   1.102
  157   1HA   GLY  23           HA2      GLY  23  -5.086  -1.337  -1.279
  158   2HA   GLY  23           HA1      GLY  23  -6.205   0.018  -1.130
  159    H    LYS  24           HN       LYS  24  -3.721   0.991   0.756
  160    HA   LYS  24           HA       LYS  24  -2.117   2.004  -1.538
  161   1HB   LYS  24           HB2      LYS  24  -2.936   3.783   0.759
  162   2HB   LYS  24           HB1      LYS  24  -2.225   4.258  -0.783
  163   1HG   LYS  24           HG2      LYS  24  -4.208   4.033  -1.925
  164   2HG   LYS  24           HG1      LYS  24  -4.800   2.771  -0.858
  165   1HD   LYS  24           HD2      LYS  24  -6.005   4.311   0.248
  166   2HD   LYS  24           HD1      LYS  24  -4.500   5.088   0.739
  167   1HE   LYS  24           HE2      LYS  24  -5.367   5.643  -2.038
  168   2HE   LYS  24           HE1      LYS  24  -6.395   6.319  -0.773
  169   1HZ   LYS  24           HZ1      LYS  24  -4.614   7.503   0.136
  170   2HZ   LYS  24           HZ2      LYS  24  -4.453   7.720  -1.541
  171   3HZ   LYS  24           HZ3      LYS  24  -3.453   6.616  -0.726
  172   1H    CYS  25           H1       CYS  25   2.786   2.192   2.740
  173    H    CYS  25           HN       CYS  25   0.012   2.691  -1.010
  174    HA   CYS  25           HA       CYS  25   1.392   1.055   0.846
  175   1HB   CYS  25           HB2      CYS  25   2.030   3.371  -0.833
  176   2HB   CYS  25           HB1      CYS  25   2.972   3.333   0.658
  Start of MODEL   30
    1   2H    CYS   1           HT2      CYS   1  11.739   3.704  -4.502
    2   3H    CYS   1           HT3      CYS   1  11.106   2.591  -5.620
    3    HA   CYS   1           HA       CYS   1  10.076   1.319  -3.895
    4   1HB   CYS   1           HB2      CYS   1  10.320   1.885  -1.575
    5   2HB   CYS   1           HB1      CYS   1  11.947   1.779  -2.248
    6    H    LYS   2           HN       LYS   2   8.225   2.283  -2.382
    7    HA   LYS   2           HA       LYS   2   7.179   4.687  -3.808
    8   1HB   LYS   2           HB2      LYS   2   5.825   2.260  -2.642
    9   2HB   LYS   2           HB1      LYS   2   4.923   3.745  -2.952
   10   1HG   LYS   2           HG2      LYS   2   6.661   2.520  -5.087
   11   2HG   LYS   2           HG1      LYS   2   5.009   1.958  -4.830
   12   1HD   LYS   2           HD2      LYS   2   4.102   3.844  -5.712
   13   2HD   LYS   2           HD1      LYS   2   5.278   4.890  -4.920
   14   1HE   LYS   2           HE2      LYS   2   5.769   5.112  -7.225
   15   2HE   LYS   2           HE1      LYS   2   6.973   3.966  -6.636
   16   1HZ   LYS   2           HZ1      LYS   2   4.389   3.155  -7.841
   17   2HZ   LYS   2           HZ2      LYS   2   5.715   2.157  -7.470
   18   3HZ   LYS   2           HZ3      LYS   2   5.828   3.298  -8.726
   19    H    GLY   3           HN       GLY   3   5.410   5.804  -2.324
   20   1HA   GLY   3           HA2      GLY   3   6.645   6.141   0.382
   21   2HA   GLY   3           HA1      GLY   3   5.854   7.448  -0.502
   22    H    LYS   4           HN       LYS   4   5.089   6.629   2.138
   23    HA   LYS   4           HA       LYS   4   2.962   4.811   2.297
   24   1HB   LYS   4           HB2      LYS   4   4.089   6.665   4.006
   25   2HB   LYS   4           HB1      LYS   4   2.446   7.268   3.802
   26   1HG   LYS   4           HG2      LYS   4   2.397   4.404   4.083
   27   2HG   LYS   4           HG1      LYS   4   3.295   5.112   5.421
   28   1HD   LYS   4           HD2      LYS   4   0.748   6.444   4.643
   29   2HD   LYS   4           HD1      LYS   4   0.623   4.892   5.469
   30   1HE   LYS   4           HE2      LYS   4   2.300   5.879   7.168
   31   2HE   LYS   4           HE1      LYS   4   1.896   7.441   6.455
   32   1HZ   LYS   4           HZ1      LYS   4   0.215   7.415   7.906
   33   2HZ   LYS   4           HZ2      LYS   4   0.325   5.742   8.172
   34   3HZ   LYS   4           HZ3      LYS   4  -0.527   6.335   6.827
   35    H    GLY   5           HN       GLY   5   0.657   5.206   2.344
   36   1HA   GLY   5           HA2      GLY   5  -1.303   5.823   1.212
   37   2HA   GLY   5           HA1      GLY   5  -0.732   7.466   1.483
   38    H    ALA   6           HN       ALA   6   1.377   5.523  -0.441
   39    HA   ALA   6           HA       ALA   6   0.818   7.215  -2.761
   40   1HB   ALA   6           HB1      ALA   6   2.773   4.949  -2.315
   41   2HB   ALA   6           HB2      ALA   6   3.126   6.677  -2.302
   42   3HB   ALA   6           HB3      ALA   6   2.674   5.881  -3.809
   43    H    LYS   7           HN       LYS   7  -1.196   5.123  -1.816
   44    HA   LYS   7           HA       LYS   7  -2.653   3.595  -2.761
   45   1HB   LYS   7           HB2      LYS   7  -2.156   5.602  -4.661
   46   2HB   LYS   7           HB1      LYS   7  -2.070   4.071  -5.542
   47   1HG   LYS   7           HG2      LYS   7  -4.191   3.706  -3.803
   48   2HG   LYS   7           HG1      LYS   7  -4.373   5.371  -4.327
   49   1HD   LYS   7           HD2      LYS   7  -5.198   4.667  -6.302
   50   2HD   LYS   7           HD1      LYS   7  -3.681   3.826  -6.622
   51   1HE   LYS   7           HE2      LYS   7  -4.498   1.794  -5.929
   52   2HE   LYS   7           HE1      LYS   7  -5.558   2.514  -4.720
   53   1HZ   LYS   7           HZ1      LYS   7  -6.581   3.432  -7.047
   54   2HZ   LYS   7           HZ2      LYS   7  -7.168   2.093  -6.181
   55   3HZ   LYS   7           HZ3      LYS   7  -6.087   1.866  -7.472
   56    H    CYS   8           HN       CYS   8  -2.759   1.562  -3.865
   57    HA   CYS   8           HA       CYS   8  -0.922   0.350  -5.514
   58   1HB   CYS   8           HB2      CYS   8   0.514  -0.905  -3.765
   59   2HB   CYS   8           HB1      CYS   8   0.946   0.752  -4.161
   60    H    SER   9           HN       SER   9  -0.529  -2.180  -4.561
   61    HA   SER   9           HA       SER   9  -3.311  -3.144  -4.331
   62   1HB   SER   9           HB2      SER   9  -1.372  -4.009  -5.922
   63   2HB   SER   9           HB1      SER   9  -0.929  -4.958  -4.509
   64    HG   SER   9           HG       SER   9  -3.578  -5.086  -4.862
   65    H    ARG  10           HN       ARG  10  -2.014  -5.699  -3.113
   66    HA   ARG  10           HA       ARG  10  -1.648  -4.702  -0.341
   67   1HB   ARG  10           HB2      ARG  10  -3.099  -7.035   0.012
   68   2HB   ARG  10           HB1      ARG  10  -3.741  -5.402   0.166
   69   1HG   ARG  10           HG2      ARG  10  -4.839  -5.497  -1.846
   70   2HG   ARG  10           HG1      ARG  10  -3.607  -6.512  -2.595
   71   1HD   ARG  10           HD2      ARG  10  -4.664  -8.124  -0.584
   72   2HD   ARG  10           HD1      ARG  10  -6.071  -7.293  -1.248
   73    HE   ARG  10           HE       ARG  10  -4.653  -8.146  -3.485
   74   1HH1  ARG  10          HH21      ARG  10  -5.963  -9.573  -0.624
   75   2HH1  ARG  10          HH22      ARG  10  -6.239 -11.114  -1.365
   76   1HH2  ARG  10          HH11      ARG  10  -5.009 -10.152  -4.458
   77   2HH2  ARG  10          HH12      ARG  10  -5.702 -11.442  -3.532
   78    H    LEU  11           HN       LEU  11   0.276  -5.454   0.250
   79    HA   LEU  11           HA       LEU  11   1.831  -7.103   0.924
   80   1HB   LEU  11           HB2      LEU  11  -0.289  -8.697   0.350
   81   2HB   LEU  11           HB1      LEU  11   0.844  -9.208  -0.905
   82    HG   LEU  11           HG       LEU  11   2.148  -8.863   1.680
   83   1HD1  LEU  11          HD11      LEU  11   0.946 -11.269   2.220
   84   2HD1  LEU  11          HD12      LEU  11  -0.398 -10.347   1.548
   85   3HD1  LEU  11          HD13      LEU  11   0.477  -9.736   2.952
   86   1HD2  LEU  11          HD21      LEU  11   3.469 -10.254   0.488
   87   2HD2  LEU  11          HD22      LEU  11   2.179 -10.575  -0.671
   88   3HD2  LEU  11          HD23      LEU  11   2.293 -11.528   0.809
   89    H    MET  12           HN       MET  12   1.420  -5.600  -1.902
   90    HA   MET  12           HA       MET  12   3.208  -7.005  -3.673
   91   1HB   MET  12           HB2      MET  12   2.016  -4.281  -3.523
   92   2HB   MET  12           HB1      MET  12   3.502  -4.434  -4.461
   93   1HG   MET  12           HG2      MET  12   1.598  -6.600  -4.983
   94   2HG   MET  12           HG1      MET  12   0.953  -5.009  -5.387
   95   1HE   MET  12           HE1      MET  12   3.813  -7.715  -6.340
   96   2HE   MET  12           HE2      MET  12   3.191  -7.565  -7.980
   97   3HE   MET  12           HE3      MET  12   2.074  -7.809  -6.641
   98    H    TYR  13           HN       TYR  13   3.630  -4.771  -1.015
   99    HA   TYR  13           HA       TYR  13   5.548  -4.141   0.161
  100   1HB   TYR  13           HB2      TYR  13   6.316  -6.648  -1.207
  101   2HB   TYR  13           HB1      TYR  13   7.662  -5.618  -0.714
  102    HD1  TYR  13           HD1      TYR  13   6.748  -4.337   1.713
  103    HD2  TYR  13           HD2      TYR  13   6.105  -8.365   0.369
  104    HE1  TYR  13           HE1      TYR  13   6.444  -5.072   4.063
  105    HE2  TYR  13           HE2      TYR  13   5.803  -9.101   2.715
  106    HH   TYR  13           HH       TYR  13   6.699  -7.273   5.353
  107    H    ASP  14           HN       ASP  14   5.119  -2.240  -1.441
  108    HA   ASP  14           HA       ASP  14   7.634  -1.806  -2.997
  109   1HB   ASP  14           HB2      ASP  14   6.197  -0.238  -4.415
  110   2HB   ASP  14           HB1      ASP  14   5.902  -1.960  -4.640
  111    H    CYS  15           HN       CYS  15   5.903  -0.960  -0.316
  112    HA   CYS  15           HA       CYS  15   6.356   1.943  -0.382
  113   1HB   CYS  15           HB2      CYS  15   5.718   0.342   2.085
  114   2HB   CYS  15           HB1      CYS  15   5.261   2.000   1.688
  115    H    CYS  16           HN       CYS  16   8.092   2.882   0.096
  116    HA   CYS  16           HA       CYS  16  10.541   1.716   0.752
  117   1HB   CYS  16           HB2      CYS  16   9.459   4.285   0.379
  118   2HB   CYS  16           HB1      CYS  16  10.221   4.318   1.954
  119    H    THR  17           HN       THR  17   7.785   2.433   2.735
  120    HA   THR  17           HA       THR  17   9.043   1.079   5.020
  121    HB   THR  17           HB       THR  17   9.666   3.478   5.308
  122    HG1  THR  17           HG1      THR  17   8.983   3.544   7.410
  123   1HG2  THR  17          HG21      THR  17   7.727   4.451   4.132
  124   2HG2  THR  17          HG22      THR  17   7.872   5.108   5.762
  125   3HG2  THR  17          HG23      THR  17   6.660   3.877   5.414
  126    H    GLY  18           HN       GLY  18   7.495  -0.179   5.976
  127   1HA   GLY  18           HA2      GLY  18   5.302  -0.599   6.898
  128   2HA   GLY  18           HA1      GLY  18   4.663   0.704   5.894
  129    H    SER  19           HN       SER  19   3.042  -0.527   4.890
  130    HA   SER  19           HA       SER  19   4.034  -2.416   2.828
  131   1HB   SER  19           HB2      SER  19   1.661  -3.102   4.578
  132   2HB   SER  19           HB1      SER  19   2.466  -4.137   3.403
  133    HG   SER  19           HG       SER  19   4.209  -4.287   4.735
  134    H    CYS  20           HN       CYS  20   1.447  -3.197   1.923
  135    HA   CYS  20           HA       CYS  20   0.322  -0.542   1.129
  136   1HB   CYS  20           HB2      CYS  20   1.112  -2.885  -0.485
  137   2HB   CYS  20           HB1      CYS  20  -0.408  -2.099  -0.939
  138    H    ARG  21           HN       ARG  21  -1.205  -0.668   2.843
  139    HA   ARG  21           HA       ARG  21  -3.341  -2.716   2.410
  140   1HB   ARG  21           HB2      ARG  21  -2.414  -1.319   4.935
  141   2HB   ARG  21           HB1      ARG  21  -3.921  -2.231   4.837
  142   1HG   ARG  21           HG2      ARG  21  -2.563  -4.205   4.024
  143   2HG   ARG  21           HG1      ARG  21  -1.113  -3.279   4.413
  144   1HD   ARG  21           HD2      ARG  21  -2.929  -3.174   6.640
  145   2HD   ARG  21           HD1      ARG  21  -2.675  -4.855   6.177
  146    HE   ARG  21           HE       ARG  21  -0.124  -3.731   6.195
  147   1HH1  ARG  21          HH21      ARG  21  -2.772  -4.060   8.388
  148   2HH1  ARG  21          HH22      ARG  21  -1.767  -4.071   9.799
  149   1HH2  ARG  21          HH11      ARG  21   1.193  -3.741   8.025
  150   2HH2  ARG  21          HH12      ARG  21   0.473  -3.893   9.594
  151    H    SER  22           HN       SER  22  -5.459  -1.637   3.604
  152    HA   SER  22           HA       SER  22  -7.166  -0.078   3.159
  153   1HB   SER  22           HB2      SER  22  -5.032   1.169   4.503
  154   2HB   SER  22           HB1      SER  22  -5.494   2.291   3.227
  155    HG   SER  22           HG       SER  22  -7.490   1.026   4.735
  156    H    GLY  23           HN       GLY  23  -5.378  -1.027   0.881
  157   1HA   GLY  23           HA2      GLY  23  -5.447  -0.685  -1.443
  158   2HA   GLY  23           HA1      GLY  23  -6.526   0.680  -1.162
  159    H    LYS  24           HN       LYS  24  -3.748   1.035   0.732
  160    HA   LYS  24           HA       LYS  24  -2.230   2.386  -1.423
  161   1HB   LYS  24           HB2      LYS  24  -2.685   3.957   1.079
  162   2HB   LYS  24           HB1      LYS  24  -2.345   4.526  -0.553
  163   1HG   LYS  24           HG2      LYS  24  -4.577   4.000  -1.284
  164   2HG   LYS  24           HG1      LYS  24  -4.918   3.189   0.242
  165   1HD   LYS  24           HD2      LYS  24  -4.161   5.611   1.181
  166   2HD   LYS  24           HD1      LYS  24  -4.838   6.091  -0.375
  167   1HE   LYS  24           HE2      LYS  24  -6.823   4.507   0.337
  168   2HE   LYS  24           HE1      LYS  24  -6.199   4.796   1.963
  169   1HZ   LYS  24           HZ1      LYS  24  -6.864   6.947   0.028
  170   2HZ   LYS  24           HZ2      LYS  24  -6.433   7.137   1.661
  171   3HZ   LYS  24           HZ3      LYS  24  -7.912   6.410   1.251
  172   1H    CYS  25           H1       CYS  25   2.848   2.108   2.719
  173    H    CYS  25           HN       CYS  25  -0.104   3.045  -0.741
  174    HA   CYS  25           HA       CYS  25   1.331   1.086   0.699
  175   1HB   CYS  25           HB2      CYS  25   1.886   3.717  -0.450
  176   2HB   CYS  25           HB1      CYS  25   2.843   3.404   1.000
  Start of MODEL   31
    1   2H    CYS   1           HT2      CYS   1  12.264   1.873  -4.223
    2   3H    CYS   1           HT3      CYS   1  11.901   3.531  -4.169
    3    HA   CYS   1           HA       CYS   1   9.957   1.392  -3.501
    4   1HB   CYS   1           HB2      CYS   1  10.428   1.783  -1.196
    5   2HB   CYS   1           HB1      CYS   1  12.001   1.574  -1.961
    6    H    LYS   2           HN       LYS   2   8.382   2.626  -1.822
    7    HA   LYS   2           HA       LYS   2   7.823   5.347  -2.893
    8   1HB   LYS   2           HB2      LYS   2   6.011   2.948  -2.844
    9   2HB   LYS   2           HB1      LYS   2   5.343   4.578  -2.799
   10   1HG   LYS   2           HG2      LYS   2   7.436   4.258  -4.821
   11   2HG   LYS   2           HG1      LYS   2   6.055   3.197  -5.088
   12   1HD   LYS   2           HD2      LYS   2   4.749   5.486  -4.484
   13   2HD   LYS   2           HD1      LYS   2   6.213   6.161  -5.200
   14   1HE   LYS   2           HE2      LYS   2   4.346   5.712  -6.850
   15   2HE   LYS   2           HE1      LYS   2   5.876   4.928  -7.240
   16   1HZ   LYS   2           HZ1      LYS   2   5.073   2.882  -6.729
   17   2HZ   LYS   2           HZ2      LYS   2   3.618   3.609  -7.224
   18   3HZ   LYS   2           HZ3      LYS   2   3.978   3.460  -5.570
   19    H    GLY   3           HN       GLY   3   5.887   6.299  -1.533
   20   1HA   GLY   3           HA2      GLY   3   6.357   5.587   1.339
   21   2HA   GLY   3           HA1      GLY   3   6.137   7.252   0.790
   22    H    LYS   4           HN       LYS   4   4.359   6.549   2.691
   23    HA   LYS   4           HA       LYS   4   2.053   5.151   1.889
   24   1HB   LYS   4           HB2      LYS   4   1.054   6.039   3.781
   25   2HB   LYS   4           HB1      LYS   4   2.748   6.163   4.190
   26   1HG   LYS   4           HG2      LYS   4   2.475   8.533   2.984
   27   2HG   LYS   4           HG1      LYS   4   0.808   8.307   3.504
   28   1HD   LYS   4           HD2      LYS   4   1.343   8.385   5.751
   29   2HD   LYS   4           HD1      LYS   4   2.970   7.757   5.488
   30   1HE   LYS   4           HE2      LYS   4   2.696  10.270   4.117
   31   2HE   LYS   4           HE1      LYS   4   2.197  10.467   5.796
   32   1HZ   LYS   4           HZ1      LYS   4   4.433   8.896   5.911
   33   2HZ   LYS   4           HZ2      LYS   4   4.346  10.551   6.281
   34   3HZ   LYS   4           HZ3      LYS   4   4.806  10.048   4.724
   35    H    GLY   5           HN       GLY   5   0.042   5.949   1.079
   36   1HA   GLY   5           HA2      GLY   5  -1.329   7.679   0.047
   37   2HA   GLY   5           HA1      GLY   5   0.142   8.617  -0.244
   38    H    ALA   6           HN       ALA   6   1.625   6.231  -1.140
   39    HA   ALA   6           HA       ALA   6   0.948   6.351  -3.950
   40   1HB   ALA   6           HB1      ALA   6   3.253   5.853  -2.825
   41   2HB   ALA   6           HB2      ALA   6   2.830   4.977  -4.296
   42   3HB   ALA   6           HB3      ALA   6   2.661   4.194  -2.724
   43    H    LYS   7           HN       LYS   7  -1.352   5.719  -3.543
   44    HA   LYS   7           HA       LYS   7  -2.518   3.497  -2.584
   45   1HB   LYS   7           HB2      LYS   7  -4.103   3.544  -4.402
   46   2HB   LYS   7           HB1      LYS   7  -3.592   5.205  -4.094
   47   1HG   LYS   7           HG2      LYS   7  -1.725   4.091  -5.915
   48   2HG   LYS   7           HG1      LYS   7  -3.329   3.678  -6.504
   49   1HD   LYS   7           HD2      LYS   7  -4.006   6.053  -6.329
   50   2HD   LYS   7           HD1      LYS   7  -2.386   6.462  -5.765
   51   1HE   LYS   7           HE2      LYS   7  -2.280   6.921  -8.071
   52   2HE   LYS   7           HE1      LYS   7  -1.576   5.309  -7.948
   53   1HZ   LYS   7           HZ1      LYS   7  -4.388   5.943  -8.662
   54   2HZ   LYS   7           HZ2      LYS   7  -3.755   4.376  -8.480
   55   3HZ   LYS   7           HZ3      LYS   7  -3.187   5.385  -9.722
   56    H    CYS   8           HN       CYS   8  -2.868   1.304  -3.251
   57    HA   CYS   8           HA       CYS   8  -1.482   0.156  -5.505
   58   1HB   CYS   8           HB2      CYS   8  -0.028  -1.298  -3.775
   59   2HB   CYS   8           HB1      CYS   8   0.565   0.210  -4.464
   60    H    SER   9           HN       SER   9  -1.154  -2.460  -4.618
   61    HA   SER   9           HA       SER   9  -3.977  -3.209  -4.161
   62   1HB   SER   9           HB2      SER   9  -1.528  -4.752  -5.042
   63   2HB   SER   9           HB1      SER   9  -3.068  -5.532  -4.698
   64    HG   SER   9           HG       SER   9  -2.332  -4.374  -6.927
   65    H    ARG  10           HN       ARG  10  -2.174  -5.798  -3.116
   66    HA   ARG  10           HA       ARG  10  -1.952  -4.822  -0.326
   67   1HB   ARG  10           HB2      ARG  10  -3.757  -7.027  -1.304
   68   2HB   ARG  10           HB1      ARG  10  -3.109  -7.056   0.337
   69   1HG   ARG  10           HG2      ARG  10  -3.958  -4.545   0.363
   70   2HG   ARG  10           HG1      ARG  10  -5.034  -5.128  -0.907
   71   1HD   ARG  10           HD2      ARG  10  -4.805  -6.863   1.488
   72   2HD   ARG  10           HD1      ARG  10  -5.626  -5.320   1.729
   73    HE   ARG  10           HE       ARG  10  -6.795  -6.326  -0.568
   74   1HH1  ARG  10          HH21      ARG  10  -6.193  -7.479   2.632
   75   2HH1  ARG  10          HH22      ARG  10  -7.599  -8.489   2.672
   76   1HH2  ARG  10          HH11      ARG  10  -8.624  -7.647  -0.531
   77   2HH2  ARG  10          HH12      ARG  10  -8.969  -8.590   0.880
   78    H    LEU  11           HN       LEU  11   0.081  -5.351   0.222
   79    HA   LEU  11           HA       LEU  11   1.930  -6.733   0.683
   80   1HB   LEU  11           HB2      LEU  11   0.505  -8.938  -0.809
   81   2HB   LEU  11           HB1      LEU  11   1.814  -9.094   0.353
   82    HG   LEU  11           HG       LEU  11  -1.089  -8.674   0.824
   83   1HD1  LEU  11          HD11      LEU  11   0.089  -9.723   3.074
   84   2HD1  LEU  11          HD12      LEU  11   1.187 -10.259   1.800
   85   3HD1  LEU  11          HD13      LEU  11  -0.526 -10.675   1.721
   86   1HD2  LEU  11          HD21      LEU  11   1.067  -7.159   2.292
   87   2HD2  LEU  11          HD22      LEU  11  -0.357  -7.722   3.168
   88   3HD2  LEU  11          HD23      LEU  11  -0.541  -6.612   1.811
   89    H    MET  12           HN       MET  12   1.544  -5.084  -1.735
   90    HA   MET  12           HA       MET  12   2.790  -6.552  -3.934
   91   1HB   MET  12           HB2      MET  12   1.730  -3.824  -3.472
   92   2HB   MET  12           HB1      MET  12   3.075  -3.923  -4.609
   93   1HG   MET  12           HG2      MET  12   1.192  -6.072  -5.082
   94   2HG   MET  12           HG1      MET  12   0.374  -4.511  -5.135
   95   1HE   MET  12           HE1      MET  12   1.398  -5.958  -8.791
   96   2HE   MET  12           HE2      MET  12   0.100  -5.898  -7.602
   97   3HE   MET  12           HE3      MET  12   1.472  -6.973  -7.344
   98    H    TYR  13           HN       TYR  13   3.830  -4.854  -1.139
   99    HA   TYR  13           HA       TYR  13   5.959  -4.458  -0.268
  100   1HB   TYR  13           HB2      TYR  13   6.489  -6.493  -2.408
  101   2HB   TYR  13           HB1      TYR  13   7.842  -5.738  -1.570
  102    HD1  TYR  13           HD1      TYR  13   5.638  -8.449  -1.501
  103    HD2  TYR  13           HD2      TYR  13   7.475  -5.566   1.097
  104    HE1  TYR  13           HE1      TYR  13   5.293  -9.966   0.430
  105    HE2  TYR  13           HE2      TYR  13   7.130  -7.082   3.028
  106    HH   TYR  13           HH       TYR  13   6.539 -10.247   2.789
  107    H    ASP  14           HN       ASP  14   5.214  -2.273  -1.567
  108    HA   ASP  14           HA       ASP  14   7.594  -1.544  -3.215
  109   1HB   ASP  14           HB2      ASP  14   4.837  -0.348  -3.546
  110   2HB   ASP  14           HB1      ASP  14   6.233  -0.156  -4.599
  111    H    CYS  15           HN       CYS  15   5.635  -0.873  -0.488
  112    HA   CYS  15           HA       CYS  15   6.239   1.971  -0.240
  113   1HB   CYS  15           HB2      CYS  15   5.582   0.215   2.112
  114   2HB   CYS  15           HB1      CYS  15   5.082   1.874   1.787
  115    H    CYS  16           HN       CYS  16   7.952   2.872   0.479
  116    HA   CYS  16           HA       CYS  16  10.381   1.512   0.977
  117   1HB   CYS  16           HB2      CYS  16   9.542   4.102   0.550
  118   2HB   CYS  16           HB1      CYS  16  10.115   4.145   2.205
  119    H    THR  17           HN       THR  17   7.695   2.175   3.054
  120    HA   THR  17           HA       THR  17   9.359   1.408   5.416
  121    HB   THR  17           HB       THR  17   7.567   2.574   6.768
  122    HG1  THR  17           HG1      THR  17   6.820   4.095   4.622
  123   1HG2  THR  17          HG21      THR  17   8.523   4.743   6.451
  124   2HG2  THR  17          HG22      THR  17   8.917   4.397   4.767
  125   3HG2  THR  17          HG23      THR  17   9.795   3.584   6.064
  126    H    GLY  18           HN       GLY  18   6.038   1.476   6.068
  127   1HA   GLY  18           HA2      GLY  18   5.900  -1.314   6.603
  128   2HA   GLY  18           HA1      GLY  18   4.503  -0.245   6.479
  129    H    SER  19           HN       SER  19   3.277  -1.801   5.299
  130    HA   SER  19           HA       SER  19   4.302  -2.363   2.546
  131   1HB   SER  19           HB2      SER  19   2.875  -4.339   2.546
  132   2HB   SER  19           HB1      SER  19   3.899  -4.370   3.979
  133    HG   SER  19           HG       SER  19   1.208  -4.283   3.784
  134    H    CYS  20           HN       CYS  20   1.900  -3.095   1.361
  135    HA   CYS  20           HA       CYS  20   0.607  -0.459   1.099
  136   1HB   CYS  20           HB2      CYS  20   0.717  -2.956  -0.508
  137   2HB   CYS  20           HB1      CYS  20  -0.697  -1.907  -0.700
  138    H    ARG  21           HN       ARG  21  -0.690  -0.200   2.904
  139    HA   ARG  21           HA       ARG  21  -2.738  -2.302   3.450
  140   1HB   ARG  21           HB2      ARG  21  -1.141  -1.410   5.288
  141   2HB   ARG  21           HB1      ARG  21  -2.121   0.054   5.228
  142   1HG   ARG  21           HG2      ARG  21  -4.067  -1.067   5.944
  143   2HG   ARG  21           HG1      ARG  21  -3.410  -2.654   5.537
  144   1HD   ARG  21           HD2      ARG  21  -2.753  -2.839   7.685
  145   2HD   ARG  21           HD1      ARG  21  -1.585  -1.556   7.367
  146    HE   ARG  21           HE       ARG  21  -3.958  -0.206   7.887
  147   1HH1  ARG  21          HH21      ARG  21  -2.006  -2.585   9.455
  148   2HH1  ARG  21          HH22      ARG  21  -2.459  -2.092  11.053
  149   1HH2  ARG  21          HH11      ARG  21  -4.555   0.448   9.964
  150   2HH2  ARG  21          HH12      ARG  21  -3.900  -0.376  11.339
  151    H    SER  22           HN       SER  22  -4.915  -1.327   4.161
  152    HA   SER  22           HA       SER  22  -6.811  -0.117   3.462
  153   1HB   SER  22           HB2      SER  22  -5.304   1.616   4.731
  154   2HB   SER  22           HB1      SER  22  -5.002   2.265   3.122
  155    HG   SER  22           HG       SER  22  -6.794   3.305   3.719
  156    H    GLY  23           HN       GLY  23  -4.801  -1.253   1.413
  157   1HA   GLY  23           HA2      GLY  23  -4.946  -1.455  -0.932
  158   2HA   GLY  23           HA1      GLY  23  -6.174  -0.188  -0.927
  159    H    LYS  24           HN       LYS  24  -3.597   0.952   0.858
  160    HA   LYS  24           HA       LYS  24  -2.166   2.008  -1.528
  161   1HB   LYS  24           HB2      LYS  24  -3.034   3.806   0.742
  162   2HB   LYS  24           HB1      LYS  24  -2.344   4.279  -0.813
  163   1HG   LYS  24           HG2      LYS  24  -4.306   3.756  -1.981
  164   2HG   LYS  24           HG1      LYS  24  -4.898   2.718  -0.693
  165   1HD   LYS  24           HD2      LYS  24  -5.528   4.529   0.662
  166   2HD   LYS  24           HD1      LYS  24  -4.478   5.653  -0.200
  167   1HE   LYS  24           HE2      LYS  24  -6.899   4.319  -1.436
  168   2HE   LYS  24           HE1      LYS  24  -6.914   5.942  -0.745
  169   1HZ   LYS  24           HZ1      LYS  24  -5.751   4.995  -3.226
  170   2HZ   LYS  24           HZ2      LYS  24  -4.787   6.081  -2.345
  171   3HZ   LYS  24           HZ3      LYS  24  -6.353   6.529  -2.825
  172   1H    CYS  25           H1       CYS  25   2.838   2.461   2.607
  173    H    CYS  25           HN       CYS  25  -0.040   2.707  -1.100
  174    HA   CYS  25           HA       CYS  25   1.425   1.229   0.814
  175   1HB   CYS  25           HB2      CYS  25   1.967   3.505  -0.977
  176   2HB   CYS  25           HB1      CYS  25   2.983   3.472   0.461
  Start of MODEL   32
    1   2H    CYS   1           HT2      CYS   1  12.526   2.045  -4.345
    2   3H    CYS   1           HT3      CYS   1  12.051   3.671  -4.207
    3    HA   CYS   1           HA       CYS   1  10.325   1.320  -3.635
    4   1HB   CYS   1           HB2      CYS   1  10.601   1.856  -1.327
    5   2HB   CYS   1           HB1      CYS   1  12.226   1.804  -2.011
    6    H    LYS   2           HN       LYS   2   8.441   2.248  -2.186
    7    HA   LYS   2           HA       LYS   2   7.458   4.696  -3.570
    8   1HB   LYS   2           HB2      LYS   2   5.867   2.425  -2.357
    9   2HB   LYS   2           HB1      LYS   2   5.193   3.820  -3.194
   10   1HG   LYS   2           HG2      LYS   2   7.092   1.806  -4.411
   11   2HG   LYS   2           HG1      LYS   2   5.353   1.850  -4.689
   12   1HD   LYS   2           HD2      LYS   2   7.220   4.154  -5.312
   13   2HD   LYS   2           HD1      LYS   2   6.702   2.962  -6.500
   14   1HE   LYS   2           HE2      LYS   2   4.770   4.064  -6.813
   15   2HE   LYS   2           HE1      LYS   2   4.392   3.938  -5.095
   16   1HZ   LYS   2           HZ1      LYS   2   6.396   5.857  -5.398
   17   2HZ   LYS   2           HZ2      LYS   2   4.791   6.089  -4.895
   18   3HZ   LYS   2           HZ3      LYS   2   5.192   6.204  -6.541
   19    H    GLY   3           HN       GLY   3   5.721   5.847  -2.223
   20   1HA   GLY   3           HA2      GLY   3   6.629   5.950   0.631
   21   2HA   GLY   3           HA1      GLY   3   6.178   7.394  -0.280
   22    H    LYS   4           HN       LYS   4   4.970   6.268   2.210
   23    HA   LYS   4           HA       LYS   4   2.574   4.930   1.904
   24   1HB   LYS   4           HB2      LYS   4   3.706   6.440   3.919
   25   2HB   LYS   4           HB1      LYS   4   2.221   7.320   3.558
   26   1HG   LYS   4           HG2      LYS   4   1.524   4.594   3.508
   27   2HG   LYS   4           HG1      LYS   4   2.549   4.792   4.926
   28   1HD   LYS   4           HD2      LYS   4   1.008   6.996   5.182
   29   2HD   LYS   4           HD1      LYS   4  -0.133   5.931   4.360
   30   1HE   LYS   4           HE2      LYS   4   0.288   4.183   6.064
   31   2HE   LYS   4           HE1      LYS   4   1.388   5.278   6.900
   32   1HZ   LYS   4           HZ1      LYS   4  -0.519   5.722   8.017
   33   2HZ   LYS   4           HZ2      LYS   4  -1.526   5.359   6.698
   34   3HZ   LYS   4           HZ3      LYS   4  -0.702   6.843   6.757
   35    H    GLY   5           HN       GLY   5   0.375   5.680   1.660
   36   1HA   GLY   5           HA2      GLY   5  -1.332   6.937   0.640
   37   2HA   GLY   5           HA1      GLY   5  -0.220   8.303   0.588
   38    H    ALA   6           HN       ALA   6   1.462   5.870  -0.846
   39    HA   ALA   6           HA       ALA   6   0.947   6.941  -3.500
   40   1HB   ALA   6           HB1      ALA   6   2.763   5.454  -4.221
   41   2HB   ALA   6           HB2      ALA   6   2.747   4.668  -2.643
   42   3HB   ALA   6           HB3      ALA   6   3.235   6.356  -2.782
   43    H    LYS   7           HN       LYS   7  -1.150   5.260  -2.087
   44    HA   LYS   7           HA       LYS   7  -2.625   3.527  -2.547
   45   1HB   LYS   7           HB2      LYS   7  -3.510   3.548  -4.744
   46   2HB   LYS   7           HB1      LYS   7  -2.966   5.199  -4.441
   47   1HG   LYS   7           HG2      LYS   7  -1.055   4.929  -5.766
   48   2HG   LYS   7           HG1      LYS   7  -1.153   3.186  -5.738
   49   1HD   LYS   7           HD2      LYS   7  -3.568   4.388  -6.841
   50   2HD   LYS   7           HD1      LYS   7  -2.129   4.844  -7.754
   51   1HE   LYS   7           HE2      LYS   7  -3.022   2.024  -7.087
   52   2HE   LYS   7           HE1      LYS   7  -3.019   2.778  -8.682
   53   1HZ   LYS   7           HZ1      LYS   7  -0.739   1.895  -7.044
   54   2HZ   LYS   7           HZ2      LYS   7  -0.528   3.139  -8.182
   55   3HZ   LYS   7           HZ3      LYS   7  -1.056   1.606  -8.686
   56    H    CYS   8           HN       CYS   8  -2.850   1.480  -3.995
   57    HA   CYS   8           HA       CYS   8  -1.079   0.009  -5.339
   58   1HB   CYS   8           HB2      CYS   8   0.297  -1.204  -3.547
   59   2HB   CYS   8           HB1      CYS   8   0.812   0.425  -3.967
   60    H    SER   9           HN       SER   9  -0.892  -2.466  -4.296
   61    HA   SER   9           HA       SER   9  -3.733  -3.148  -3.820
   62   1HB   SER   9           HB2      SER   9  -2.346  -4.310  -5.597
   63   2HB   SER   9           HB1      SER   9  -1.402  -5.026  -4.296
   64    HG   SER   9           HG       SER   9  -3.855  -5.452  -3.610
   65    H    ARG  10           HN       ARG  10  -2.331  -5.761  -2.581
   66    HA   ARG  10           HA       ARG  10  -2.115  -4.552   0.141
   67   1HB   ARG  10           HB2      ARG  10  -3.298  -6.372   1.077
   68   2HB   ARG  10           HB1      ARG  10  -4.189  -6.009  -0.399
   69   1HG   ARG  10           HG2      ARG  10  -2.764  -7.773  -1.556
   70   2HG   ARG  10           HG1      ARG  10  -2.183  -8.233   0.043
   71   1HD   ARG  10           HD2      ARG  10  -4.866  -8.201   0.490
   72   2HD   ARG  10           HD1      ARG  10  -4.833  -8.681  -1.206
   73    HE   ARG  10           HE       ARG  10  -2.943 -10.318  -0.007
   74   1HH1  ARG  10          HH21      ARG  10  -6.263  -9.528   0.516
   75   2HH1  ARG  10          HH22      ARG  10  -6.661 -11.080   1.172
   76   1HH2  ARG  10          HH11      ARG  10  -3.451 -12.345   0.842
   77   2HH2  ARG  10          HH12      ARG  10  -5.072 -12.674   1.353
   78    H    LEU  11           HN       LEU  11  -0.758  -6.739  -2.202
   79    HA   LEU  11           HA       LEU  11   1.320  -7.536  -0.211
   80   1HB   LEU  11           HB2      LEU  11   0.139  -8.860  -2.605
   81   2HB   LEU  11           HB1      LEU  11   1.844  -9.166  -2.270
   82    HG   LEU  11           HG       LEU  11   0.470  -9.315   0.212
   83   1HD1  LEU  11          HD11      LEU  11  -1.163 -11.079  -0.224
   84   2HD1  LEU  11          HD12      LEU  11  -0.805 -11.015  -1.950
   85   3HD1  LEU  11          HD13      LEU  11  -1.580  -9.643  -1.159
   86   1HD2  LEU  11          HD21      LEU  11   2.531 -10.556  -0.844
   87   2HD2  LEU  11          HD22      LEU  11   1.321 -11.720  -1.382
   88   3HD2  LEU  11          HD23      LEU  11   1.530 -11.397   0.340
   89    H    MET  12           HN       MET  12   0.878  -5.130  -2.282
   90    HA   MET  12           HA       MET  12   2.893  -5.070  -4.193
   91   1HB   MET  12           HB2      MET  12   1.363  -3.114  -2.723
   92   2HB   MET  12           HB1      MET  12   3.026  -2.554  -2.898
   93   1HG   MET  12           HG2      MET  12   2.072  -3.759  -5.362
   94   2HG   MET  12           HG1      MET  12   1.014  -2.444  -4.850
   95   1HE   MET  12           HE1      MET  12   1.147  -1.122  -6.383
   96   2HE   MET  12           HE2      MET  12   2.514  -0.430  -7.254
   97   3HE   MET  12           HE3      MET  12   1.956   0.323  -5.762
   98    H    TYR  13           HN       TYR  13   3.262  -4.232  -0.733
   99    HA   TYR  13           HA       TYR  13   5.197  -4.118   0.590
  100   1HB   TYR  13           HB2      TYR  13   5.695  -6.385  -1.310
  101   2HB   TYR  13           HB1      TYR  13   7.002  -5.855  -0.251
  102    HD1  TYR  13           HD1      TYR  13   3.433  -5.574   0.640
  103    HD2  TYR  13           HD2      TYR  13   7.044  -7.846   1.136
  104    HE1  TYR  13           HE1      TYR  13   2.402  -6.802   2.531
  105    HE2  TYR  13           HE2      TYR  13   6.014  -9.073   3.025
  106    HH   TYR  13           HH       TYR  13   2.820  -8.189   4.272
  107    H    ASP  14           HN       ASP  14   4.963  -2.352  -1.796
  108    HA   ASP  14           HA       ASP  14   7.826  -2.042  -2.548
  109   1HB   ASP  14           HB2      ASP  14   5.234  -1.055  -3.718
  110   2HB   ASP  14           HB1      ASP  14   6.752  -0.247  -4.112
  111    H    CYS  15           HN       CYS  15   5.677  -0.928  -0.252
  112    HA   CYS  15           HA       CYS  15   6.301   1.889  -0.185
  113   1HB   CYS  15           HB2      CYS  15   5.747   0.291   2.302
  114   2HB   CYS  15           HB1      CYS  15   5.248   1.935   1.900
  115    H    CYS  16           HN       CYS  16   8.078   2.818   0.258
  116    HA   CYS  16           HA       CYS  16  10.546   1.665   0.724
  117   1HB   CYS  16           HB2      CYS  16   9.533   4.216   0.514
  118   2HB   CYS  16           HB1      CYS  16  10.169   4.187   2.143
  119    H    THR  17           HN       THR  17   8.331   2.944   3.237
  120    HA   THR  17           HA       THR  17   9.672   1.096   5.162
  121    HB   THR  17           HB       THR  17  10.575   3.206   5.770
  122    HG1  THR  17           HG1      THR  17   8.986   3.761   7.621
  123   1HG2  THR  17          HG21      THR  17   7.844   4.192   5.027
  124   2HG2  THR  17          HG22      THR  17   9.423   4.805   4.538
  125   3HG2  THR  17          HG23      THR  17   8.816   5.128   6.162
  126    H    GLY  18           HN       GLY  18   7.663  -0.147   4.446
  127   1HA   GLY  18           HA2      GLY  18   5.771  -0.429   6.405
  128   2HA   GLY  18           HA1      GLY  18   5.091   0.864   5.417
  129    H    SER  19           HN       SER  19   3.360  -0.831   5.083
  130    HA   SER  19           HA       SER  19   4.107  -2.548   2.755
  131   1HB   SER  19           HB2      SER  19   2.343  -4.164   3.622
  132   2HB   SER  19           HB1      SER  19   3.819  -4.079   4.579
  133    HG   SER  19           HG       SER  19   1.717  -2.330   5.178
  134    H    CYS  20           HN       CYS  20   1.727  -3.369   1.858
  135    HA   CYS  20           HA       CYS  20   0.249  -0.815   1.420
  136   1HB   CYS  20           HB2      CYS  20   0.892  -3.124  -0.340
  137   2HB   CYS  20           HB1      CYS  20  -0.613  -2.236  -0.623
  138    H    ARG  21           HN       ARG  21  -1.565  -0.714   2.588
  139    HA   ARG  21           HA       ARG  21  -3.389  -3.047   2.617
  140   1HB   ARG  21           HB2      ARG  21  -2.049  -1.812   4.990
  141   2HB   ARG  21           HB1      ARG  21  -3.734  -2.303   5.160
  142   1HG   ARG  21           HG2      ARG  21  -3.252  -4.562   4.727
  143   2HG   ARG  21           HG1      ARG  21  -1.715  -4.181   3.951
  144   1HD   ARG  21           HD2      ARG  21  -1.286  -5.112   6.166
  145   2HD   ARG  21           HD1      ARG  21  -0.837  -3.407   6.154
  146    HE   ARG  21           HE       ARG  21  -3.461  -3.387   7.036
  147   1HH1  ARG  21          HH21      ARG  21  -0.547  -5.021   7.916
  148   2HH1  ARG  21          HH22      ARG  21  -0.957  -5.122   9.594
  149   1HH2  ARG  21          HH11      ARG  21  -4.008  -3.521   9.226
  150   2HH2  ARG  21          HH12      ARG  21  -2.914  -4.278  10.334
  151    H    SER  22           HN       SER  22  -5.589  -2.403   2.893
  152    HA   SER  22           HA       SER  22  -7.399  -0.895   3.018
  153   1HB   SER  22           HB2      SER  22  -5.582   1.472   3.164
  154   2HB   SER  22           HB1      SER  22  -7.122   1.188   3.968
  155    HG   SER  22           HG       SER  22  -4.559   0.504   4.718
  156    H    GLY  23           HN       GLY  23  -4.790  -0.799   0.827
  157   1HA   GLY  23           HA2      GLY  23  -5.526  -0.687  -1.568
  158   2HA   GLY  23           HA1      GLY  23  -6.487   0.717  -1.110
  159    H    LYS  24           HN       LYS  24  -3.749   1.073   0.672
  160    HA   LYS  24           HA       LYS  24  -2.129   2.189  -1.528
  161   1HB   LYS  24           HB2      LYS  24  -2.771   3.969   0.807
  162   2HB   LYS  24           HB1      LYS  24  -2.133   4.412  -0.776
  163   1HG   LYS  24           HG2      LYS  24  -4.337   3.507  -1.728
  164   2HG   LYS  24           HG1      LYS  24  -4.913   3.547  -0.068
  165   1HD   LYS  24           HD2      LYS  24  -3.578   5.999  -1.105
  166   2HD   LYS  24           HD1      LYS  24  -5.200   5.646  -1.702
  167   1HE   LYS  24           HE2      LYS  24  -6.003   5.463   0.636
  168   2HE   LYS  24           HE1      LYS  24  -4.388   5.874   1.211
  169   1HZ   LYS  24           HZ1      LYS  24  -5.248   7.746  -0.728
  170   2HZ   LYS  24           HZ2      LYS  24  -4.800   8.011   0.891
  171   3HZ   LYS  24           HZ3      LYS  24  -6.409   7.623   0.504
  172   1H    CYS  25           H1       CYS  25   2.711   1.948   2.854
  173   2H    CYS  25           H2       CYS  25   1.833   2.812   4.021
  174    H    CYS  25           HN       CYS  25  -0.045   3.015  -0.795
  175    HA   CYS  25           HA       CYS  25   1.299   1.096   0.846
  176   1HB   CYS  25           HB2      CYS  25   1.996   3.526  -0.616
  177   2HB   CYS  25           HB1      CYS  25   2.925   3.354   0.876