*HEADER    ANTIMICROBIAL PROTEIN                   30-NOV-11   2LMF              
*TITLE     SOLUTION STRUCTURE OF HUMAN LL-23 BOUND TO MEMBRANE-MIMETIC MICELLES  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIBACTERIAL PROTEIN LL-37;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 134-156;                                      
*COMPND   5 SYNONYM: CATHELICIDIN ANTIMICROBIAL PEPTIDE;                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ANTIMICROBIAL AND INNATE IMMUNE MODULATING PEPTIDE, ANTIMICROBIAL     
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.WANG                                                                
*REVDAT   1   28-DEC-11 2LMF    0                                                


!The following are distance restraints for human LL-23 in complex with DPC micells determined by Guangshun Wang. 

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!
! 1
assign (resid   1 and name   HA ) (resid   1 and name HD1# )  3.0  1.2  1.8 ! A.59   at 5.42e+04
assign (resid   1 and name   HA ) (resid   1 and name HD2# )  3.0  1.2  1.8 ! A.66   at 5.97e+04

! 2
assign (resid   2 and name HD1# ) (resid   2 and name   HA )  3.0  1.2  1.8 ! A.65   at 8.22e+04
assign (resid   2 and name HD2# ) (resid   2 and name   HA )  2.5  0.7  1.7 ! A.60   at 2.06e+05
assign (resid   2 and name HD1# ) (resid   5 and name  HE# )  3.0  1.2  3.0 ! A.9    at 9.47e+03
assign (resid   2 and name HD1# ) (resid   5 and name  HB2 )  4.0  2.2  2.5 ! A.85   at 1.15e+04
assign (resid   2 and name HD2# ) (resid   5 and name  HB2 )  4.0  2.2  2.5 ! A.84   at 1.30e+04
assign (resid   2 and name HD2# ) (resid   5 and name  HD# )  3.0  1.2  2.0 ! A.3    at 2.60e+04
assign (resid   2 and name HD1# ) (resid   5 and name  HD# )  3.0  1.2  2.0 ! A.2    at 3.17e+04
assign (resid   2 and name HD1# ) (resid   6 and name   HZ )  4.0  2.2  2.5 ! A.8    at 1.66e+04
assign (resid   2 and name HD* ) (resid   6 and name  HE# )  3.0  1.2  2.3 ! A.5    at 3.59e+04
assign (resid   2 and name HD* ) (resid   6 and name  HD# )  3.0  1.2  2.3 ! A.4    at 4.51e+04

! 3
assign (resid   3 and name  HA2 ) (resid   6 and name  HD# )  4.0  2.2  1.5 ! A.33   at 3.24e+04

! 4
assign (resid   4 and name   HA ) (resid   7 and name  HG1 )  4.0  2.2  2.0 ! A.38   at 9.80e+03
assign (resid   4 and name   HA ) (resid   7 and name  HB2 )  4.0  2.2  1.0 ! A.37   at 2.28e+04
assign (resid   4 and name   HA ) (resid   7 and name  HB1 )  4.0  2.2  1.0 ! A.36   at 2.45e+04
assign (resid   4 and name   HA ) (resid   7 and name  HE  )  4.0  2.2  1.0 ! pH 5.4!

! 5
assign (resid   5 and name  HD# ) (resid   5 and name   HA )  3.0  1.2  0.8 ! A.25   at 1.03e+05
assign (resid   5 and name  HD# ) (resid   5 and name  HB1 )  3.0  1.2  0.8 ! A.89   at 1.05e+05
assign (resid   5 and name  HD# ) (resid   5 and name  HB2 )  2.5  0.7  0.7 ! A.90   at 1.08e+05
assign (resid   5 and name  HB2 ) (resid   6 and name  HD# )  4.0  2.2  2.5 ! A.99   at 1.08e+04
assign (resid   5 and name  HD# ) (resid   6 and name  HB2 )  4.0  2.2  2.5 ! A.100  at 1.14e+04
assign (resid   5 and name  HD# ) (resid   6 and name  HD# )  4.0  2.2  2.0 ! A.1    at 2.58e+04
assign (resid   5 and name  HD# ) (resid   6 and name   HA )  4.0  2.2  1.5 ! A.26   at 2.82e+04
assign (resid   5 and name  HD# ) (resid   8 and name  HB# )  4.0  2.2  3.0 ! A.101  at 1.34e+04
assign (resid   5 and name  HD# ) (resid   8 and name  HD1 )  4.0  2.2  2.5 ! A.102  at 1.94e+04
assign (resid   5 and name  HE# ) (resid  13 and name HD1# )  4.0  2.2  4.5 ! A.13   at 1.40e+04

! 6
assign (resid   6 and name  HD# ) (resid   6 and name  HB2 )  3.0  1.2  0.8 ! A.96   at 8.49e+04
assign (resid   6 and name  HD# ) (resid   6 and name  HB1 )  3.0  1.2  0.8 ! A.95   at 9.56e+04
assign (resid   6 and name  HD# ) (resid   6 and name   HA )  2.5  0.7  0.7 ! A.32   at 1.28e+05
!assign (resid   6 and name  HD# ) (resid   7 and name  HG1 )  4.0  2.2  1.5 ! A.107  at 3.03e+04
assign (resid   6 and name   HA ) (resid   9 and name  HB2 )  4.0  2.2  2.0 ! A.51   at 1.33e+04
assign (resid   6 and name   HA ) (resid   9 and name  HB1 )  4.0  2.2  1.0 ! A.52   at 2.16e+04
assign (resid   6 and name  HE# ) (resid  10 and name  HE# )  4.0  2.2  3.0 ! A.97   at 1.38e+04
assign (resid   6 and name  HD# ) (resid  10 and name   HA )  4.0  2.2  2.5 ! A.34   at 1.44e+04
assign (resid   6 and name  HE# ) (resid  10 and name  HG# )  4.0  2.2  3.0 ! A.14   at 1.64e+04
assign (resid   6 and name  HD# ) (resid  10 and name  HD1 )  4.0  2.2  1.5 ! A.104  at 2.79e+04
assign (resid   6 and name  HD# ) (resid  10 and name  HB2 )  4.0  2.2  1.5 ! A.108  at 3.27e+04
assign (resid   6 and name  HE# ) (resid  13 and name HD1# )  4.0  2.2  4.5 ! A.12   at 2.46e+04

! 7
assign (resid   7 and name   HA ) (resid  10 and name  HG# )  4.0  2.2  2.5 ! A.58   at 1.11e+04

! 8
assign (resid   8 and name   HA ) (resid  11 and name  HG1 )  4.0  2.2  2.0 ! A.68   at 1.15e+04
assign (resid   8 and name   HA ) (resid  11 and name  HG2 )  4.0  2.2  2.0 ! A.67   at 1.82e+04
assign (resid   8 and name   HA ) (resid  11 and name  HB# )  3.0  1.2  0.8 ! A.69   at 5.18e+04

! 9
assign (resid   9 and name   HA ) (resid  13 and name HD1# )  4.0  2.2  2.5 ! A.63   at 1.32e+04
assign (resid   9 and name  HB2 ) (resid  13 and name HD1# )  4.0  2.2  2.5 ! A.61   at 1.38e+04

! 10
assign (resid  10 and name  HG# ) (resid  11 and name   HA )  4.0  2.2  2.5 ! A.57   at 1.13e+04

! 11
assign (resid  11 and name  HG1 ) (resid  11 and name   HA )  3.0  1.2  0.3 ! A.70   at 3.99e+04
assign (resid  11 and name  HG2 ) (resid  11 and name   HA )  3.0  1.2  0.3 ! A.71   at 4.31e+04

! 12
assign (resid  12 and name   HA ) (resid  13 and name HD1# )  4.0  2.2  2.5 ! A.62   at 1.02e+04

! 13
assign (resid  13 and name   HA ) (resid  16 and name  HG1 )  4.0  2.2  2.0 ! A.77   at 8.11e+03
assign (resid  13 and name   HA ) (resid  16 and name  HG2 )  4.0  2.2  2.0 ! A.76   at 9.43e+03
assign (resid  13 and name   HA ) (resid  16 and name  HB1 )  4.0  2.2  2.0 ! A.74   at 1.77e+04
assign (resid  13 and name   HA ) (resid  16 and name  HB2 )  4.0  2.2  1.0 ! A.75   at 2.74e+04
assign (resid  13 and name HG2# ) (resid  17 and name  HE# )  4.0  2.2  2.0 ! A.7    at 2.81e+04
assign (resid  13 and name HG2# ) (resid  17 and name  HD# )  3.0  1.2  1.3 ! A.6    at 6.17e+04

! 14
assign (resid  14 and name   HN ) (resid  17 and name   HN )  4.0  2.2  2.0 ! A.114  at 8.01e+03
assign (resid  14 and name  HA2 ) (resid  17 and name  HD# )  4.0  2.2  2.5 ! A.31   at 1.20e+04
assign (resid  14 and name  HA2 ) (resid  17 and name  HB1 )  4.0  2.2  2.0 ! A.47   at 1.69e+04
assign (resid  14 and name  HA2 ) (resid  17 and name  HB2 )  4.0  2.2  1.0 ! A.50   at 1.92e+04

! 15

! 16
assign (resid  16 and name  HG1 ) (resid  16 and name   HA )  4.0  2.2  1.0 ! A.45   at 2.30e+04
assign (resid  16 and name  HG2 ) (resid  16 and name   HA )  4.0  2.2  1.0 ! A.46   at 2.65e+04
assign (resid  16 and name   HA ) (resid  19 and name  HD2 )  4.0  2.2  2.0 ! A.40   at 9.33e+03
assign (resid  16 and name   HA ) (resid  19 and name  HG# )  4.0  2.2  2.0 ! A.42   at 1.17e+04
assign (resid  16 and name   HA ) (resid  19 and name  HB# )  3.0  1.2  1.5 ! A.41   at 2.51e+04
assign (resid  16 and name   HA ) (resid  20 and name HD1# )  4.0  2.2  2.5 ! A.82   at 8.53e+03
assign (resid  16 and name   HA ) (resid  20 and name   HN )  4.0  2.2  2.0 ! A.124  at 1.01e+04
assign (resid  16 and name   HA ) (resid  19 and name  HE  )  4.0  2.2  1.0 ! pH5.4

! 17
assign (resid  17 and name  HE# ) (resid  17 and name  HB1 )  4.0  2.2  2.5 ! A.93   at 1.55e+04
assign (resid  17 and name  HE# ) (resid  17 and name   HA )  4.0  2.2  2.5 ! A.28   at 1.67e+04
assign (resid  17 and name  HE# ) (resid  17 and name  HB2 )  4.0  2.2  2.5 ! A.94   at 1.67e+04
assign (resid  17 and name  HD# ) (resid  17 and name  HB1 )  3.0  1.2  0.8 ! A.92   at 7.77e+04
assign (resid  17 and name  HD# ) (resid  17 and name  HB2 )  3.0  1.2  0.8 ! A.91   at 7.94e+04
assign (resid  17 and name  HD# ) (resid  17 and name   HA )  3.0  1.2  0.8 ! A.27   at 8.63e+04
assign (resid  17 and name  HE# ) (resid  18 and name   HA )  4.0  2.2  2.5 ! A.30   at 9.83e+03
assign (resid  17 and name  HD# ) (resid  18 and name  HG# )  4.0  2.2  3.0 ! A.103  at 1.47e+04
assign (resid  17 and name  HD# ) (resid  18 and name  HB2 )  4.0  2.2  1.5 ! A.106  at 2.09e+04
assign (resid  17 and name  HD# ) (resid  18 and name  HD2 )  4.0  2.2  1.5 ! A.105  at 2.18e+04
assign (resid  17 and name  HD# ) (resid  18 and name   HA )  4.0  2.2  1.5 ! A.29   at 3.41e+04
assign (resid  17 and name   HN ) (resid  19 and name   HN )  4.0  2.2  2.0 ! A.113  at 9.42e+03
assign (resid  17 and name   HA ) (resid  20 and name HG12 )  4.0  2.2  2.0 ! A.55   at 1.43e+04
assign (resid  17 and name  HB1 ) (resid  20 and name HG2# )  4.0  2.2  1.5 ! A.88   at 1.88e+04
assign (resid  17 and name  HB2 ) (resid  20 and name HG2# )  4.0  2.2  1.5 ! A.86   at 3.25e+04
assign (resid  17 and name   HA ) (resid  20 and name HD1# )  2.5  0.7  2.7 ! A.64   at 1.12e+05
assign (resid  17 and name  HB2 ) (resid  21 and name  HG* )  4.0  2.2  2.5 ! A.87   at 1.12e+04
assign (resid  17 and name   HA ) (resid  21 and name  HG* )  4.0  2.2  2.5 ! A.56   at 1.54e+04
assign (resid  17 and name  HE# ) (resid  21 and name HG* )  3.0  1.2  2.3 ! A.11   at 6.61e+04
assign (resid  17 and name  HD# ) (resid  21 and name HG* )  3.0  1.2  2.3 ! A.10   at 1.03e+05

! 18
assign (resid  18 and name  HG# ) (resid  18 and name   HA )  3.0  1.2  1.8 ! A.54   at 3.74e+04
assign (resid  18 and name   HA ) (resid  21 and name  HG* )  2.5  0.7  2.7 ! A.53   at 1.20e+05
assign (resid  18 and name   HA ) (resid  23 and name   HN )  4.0  2.2  2.0 ! A.121  at 9.40e+03

! 19
assign (resid  19 and name   HA ) (resid  22 and name  HG# )  4.0  2.2  2.5 ! A.78   at 1.26e+04

! 20
assign (resid  20 and name   HA ) (resid  22 and name  HG# )  4.0  2.2  2.5 ! A.79   at 9.06e+03

! 21
assign (resid  21 and name   HA ) (resid  22 and name  HG# )  4.0  2.2  2.5 ! A.80   at 9.44e+03
assign (resid  21 and name HG1# ) (resid  22 and name  HG# )  4.0  2.2  2.0 ! A.83   at 2.48e+04

! 22
assign (resid  22 and name  HG# ) (resid  22 and name   HA )  3.0  1.2  1.8 ! A.81   at 9.43e+04

! 23

!additional
!
! 1
assign (resid   1 and name   HA ) (resid   2 and name   HN )  2.5  0.7  0.4 ! A.38   at 2.05e+05
assign (resid   1 and name   HA ) (resid   3 and name   HN )  4.0  2.2  1.0 ! A.49   at 2.02e+04
assign (resid   1 and name   HA ) (resid   4 and name   HN )  4.0  2.2  1.0 !

! 2
assign (resid   2 and name  HD* ) (resid   2 and name   HN )  3.0  1.2  2.5 ! A.41   at 4.08e+04
assign (resid   2 and name  HB1 ) (resid   2 and name   HN )  2.5  0.7  0.4 ! A.39   at 2.10e+05
assign (resid   2 and name  HB2 ) (resid   2 and name   HN )  2.5  0.7  0.4 ! A.40   at 2.18e+05
assign (resid   2 and name   HG ) (resid   3 and name   HN )  3.0  1.2  0.5 ! A.52   at 4.46e+04
assign (resid   2 and name  HB1 ) (resid   3 and name   HN )  3.0  1.2  0.5 ! A.50   at 5.56e+04
assign (resid   2 and name  HB2 ) (resid   3 and name   HN )  3.0  1.2  0.5 ! A.51   at 6.44e+04
assign (resid   2 and name   HA ) (resid   3 and name   HN )  3.0  1.2  0.8 ! A.48   at 7.27e+04
assign (resid   2 and name   HN ) (resid   3 and name   HN )  3.0  1.2  0.8 ! A.43   at 9.78e+04
assign (resid   2 and name   HA ) (resid   4 and name   HN )  4.0  2.2  1.0 !
assign (resid   2 and name  HD* ) (resid   5 and name   HN )  4.0  2.2  2.5 ! A.71   at 1.55e+04
assign (resid   2 and name   HG ) (resid   5 and name   HN )  4.0  2.2  1.0 ! A.70   at 1.91e+04
assign (resid   2 and name  HB2 ) (resid   6 and name   HN )  4.0  2.2  2.0 ! A.85   at 1.24e+04
assign (resid   2 and name  HB1 ) (resid   6 and name   HN )  4.0  2.2  2.0 ! A.84   at 1.69e+04

! 3
assign (resid   3 and name   HN ) (resid   4 and name   HN )  3.0  1.2  0.5 ! A.42   at 6.97e+04
assign (resid   3 and name  HA1 ) (resid   4 and name   HN )  3.0  1.2  0.8 !
assign (resid   3 and name  HA2 ) (resid   4 and name   HN )  3.0  1.2  0.8 !
assign (resid   3 and name   HN ) (resid   5 and name   HN )  4.0  1.0  1.0 ! A.73   at 5.48e+04
assign (resid   3 and name  HA2 ) (resid   6 and name   HN )  3.0  1.2  0.8 ! A.4    at 3.64e+04
assign (resid   3 and name   HN ) (resid   6 and name   HN )  4.0  2.2  1.0 ! A.44   at 3.73e+04

! 4
assign (resid   4 and name  HB1 ) (resid   4 and name   HN )  3.0  1.2  0.8 !
assign (resid   4 and name  HB2 ) (resid   4 and name   HN )  3.0  1.2  0.8 !
assign (resid   4 and name   HA ) (resid   5 and name   HN )  3.0  1.2  0.8 ! A.54   at 5.80e+04
assign (resid   4 and name  HB2 ) (resid   5 and name   HN )  3.0  1.2  0.8 ! A.69   at 6.16e+04
assign (resid   4 and name  HB1 ) (resid   5 and name   HN )  3.0  1.2  0.8 ! A.68   at 9.05e+04
assign (resid   4 and name   HN ) (resid   5 and name   HN )  2.5  0.7  0.4 ! A.74   at 1.78e+05
assign (resid   4 and name   HA ) (resid   6 and name   HN )  4.0  2.2  1.0 !
assign (resid   4 and name   HA ) (resid   7 and name   HN )  3.0  1.2  0.8 ! A.6    at 5.89e+04
assign (resid   4 and name   HA ) (resid   8 and name   HN )  4.0  2.2  1.0 ! A.101  at 2.36e+04

! 5
assign (resid   5 and name  HD# ) (resid   5 and name   HN )  4.0  2.2  1.5 ! A.75   at 2.37e+04
assign (resid   5 and name  HB2 ) (resid   5 and name   HN )  2.5  0.7  1.4 ! A.67   at 2.00e+05
assign (resid   5 and name  HB1 ) (resid   5 and name   HN )  2.5  0.7  1.4 ! A.66   at 2.15e+05
assign (resid   5 and name  HD# ) (resid   6 and name   HN )  4.0  2.2  1.5 ! A.79   at 3.00e+04
assign (resid   5 and name   HA ) (resid   6 and name   HN )  3.0  1.2  0.8 ! A.3    at 6.26e+04
assign (resid   5 and name   HN ) (resid   6 and name   HN )  2.5  0.7  0.4 ! A.72   at 1.16e+05
assign (resid   5 and name  HB2 ) (resid   6 and name   HN )  2.5  0.7  1.4 ! A.83   at 1.18e+05
assign (resid   5 and name   HA ) (resid   8 and name   HN )  3.0  1.2  0.8 ! A.100  at 3.58e+04

! 6
assign (resid   6 and name  HD# ) (resid   6 and name   HN )  4.0  2.2  1.5 ! A.80   at 1.88e+04
assign (resid   6 and name  HB# ) (resid   6 and name   HN )  2.5  0.7  1.9 ! A.82   at 2.91e+05
assign (resid   6 and name  HD# ) (resid   7 and name   HN )  4.0  2.2  1.5 ! A.86   at 2.01e+04
assign (resid   6 and name   HA ) (resid   7 and name   HN )  3.0  1.2  0.8 ! A.5    at 5.66e+04
assign (resid   6 and name   HN ) (resid   7 and name   HN )  2.5  0.7  0.4 ! A.87   at 1.22e+05
assign (resid   6 and name  HB# ) (resid   7 and name   HN )  2.5  0.7  1.9 ! A.92   at 1.50e+05

! 7
assign (resid   7 and name  HG# ) (resid   7 and name   HN )  3.0  1.2  1.0 ! A.95   at 4.64e+04
assign (resid   7 and name  HB2 ) (resid   7 and name   HN )  2.5  0.7  1.4 ! A.94   at 1.18e+05
assign (resid   7 and name  HB1 ) (resid   7 and name   HN )  2.5  0.7  1.4 ! A.93   at 2.25e+05
assign (resid   7 and name   HA ) (resid   8 and name   HN )  3.0  1.2  0.8 ! A.99   at 4.23e+04
assign (resid   7 and name  HB1 ) (resid   8 and name   HN )  3.0  1.2  0.5 ! A.105  at 9.29e+04
assign (resid   7 and name   HN ) (resid   8 and name   HN )  2.5  0.7  0.4 ! A.88   at 2.13e+05
assign (resid   7 and name   HA ) (resid  10 and name   HN )  3.0  1.2  0.8 ! A.109  at 3.78e+04
assign (resid   7 and name   HA ) (resid  11 and name   HN )  4.0  2.2  1.0 ! A.114  at 1.87e+04

! 8
assign (resid   8 and name  HG# ) (resid   8 and name   HN )  3.0  1.2  2.0 ! A.104  at 8.13e+04
assign (resid   8 and name  HB# ) (resid   8 and name   HN )  2.5  0.7  1.9 ! A.103  at 1.92e+05
assign (resid   8 and name  HG# ) (resid   9 and name   HN )  4.0  2.2  1.5 ! A.106  at 1.79e+04
assign (resid   8 and name  HB# ) (resid   9 and name   HN )  3.0  1.2  2.0 ! A.56   at 7.73e+04
assign (resid   8 and name   HN ) (resid   9 and name   HN )  2.5  0.7  0.4 ! A.107  at 1.27e+05
assign (resid   8 and name   HN ) (resid  11 and name   HN )  4.0  2.2  1.0 ! A.117  at 4.10e+04
assign (resid   8 and name   HA ) (resid  11 and name   HN )  3.0  1.2  0.8 ! A.11   at 5.03e+04

! 9
assign (resid   9 and name  HB2 ) (resid   9 and name   HN )  3.0  1.2  0.5 ! A.15   at 8.17e+04
assign (resid   9 and name  HB1 ) (resid   9 and name   HN )  2.5  0.7  1.4 ! A.14   at 1.20e+05
assign (resid   9 and name  HB2 ) (resid  10 and name   HN )  3.0  1.2  0.8 ! A.13   at 4.93e+04
assign (resid   9 and name   HA ) (resid  10 and name   HN )  3.0  1.2  0.8 ! A.17   at 9.85e+04

! 10
assign (resid  10 and name  HG# ) (resid  10 and name   HN )  3.0  1.2  2.0 ! A.113  at 8.71e+04
assign (resid  10 and name  HB# ) (resid  10 and name   HN )  2.5  0.7  1.9 ! A.112  at 1.61e+05
assign (resid  10 and name  HG# ) (resid  11 and name   HN )  3.0  1.2  2.0 ! A.59   at 3.48e+04
assign (resid  10 and name   HA ) (resid  11 and name   HN )  3.0  1.2  0.8 ! A.10   at 5.37e+04
assign (resid  10 and name  HB# ) (resid  11 and name   HN )  3.0  1.2  2.0 ! A.58   at 8.51e+04
assign (resid  10 and name   HN ) (resid  11 and name   HN )  2.5  0.7  0.4 ! A.111  at 2.02e+05
assign (resid  10 and name   HA ) (resid  12 and name   HN )  4.0  2.2  1.0 ! A.121  at 2.97e+04
assign (resid  10 and name   HN ) (resid  13 and name   HD1# )  4.0  2.2  2.5 !
assign (resid  10 and name   HN ) (resid  13 and name   HG12 )  4.0  2.2  2.0 !

! 11
assign (resid  11 and name  HG# ) (resid  11 and name   HN )  3.0  1.2  2.0 ! A.115  at 5.83e+04
assign (resid  11 and name  HB2 ) (resid  11 and name   HN )  2.5  0.7  1.4 ! A.57   at 3.11e+05
assign (resid  11 and name  HG# ) (resid  12 and name   HN )  4.0  2.2  1.5 ! A.128  at 1.96e+04
assign (resid  11 and name   HA ) (resid  12 and name   HN )  3.0  1.2  0.8 ! A.120  at 7.34e+04
assign (resid  11 and name  HB2 ) (resid  12 and name   HN )  2.5  0.7  0.4 ! A.126  at 1.93e+05
assign (resid  11 and name   HN ) (resid  12 and name   HN )  2.5  0.7  0.4 ! A.116  at 2.24e+05
assign (resid  11 and name   HA ) (resid  13 and name   HN )  4.0  2.2  1.0 ! A.130  at 1.95e+04

! 12
assign (resid  12 and name  HD# ) (resid  12 and name   HN )  3.0  1.2  2.0 ! A.125  at 6.96e+04
assign (resid  12 and name  HG# ) (resid  12 and name   HN )  2.5  0.7  1.9 ! A.123  at 1.09e+05
assign (resid  12 and name  HB# ) (resid  12 and name   HN )  2.5  0.7  1.9 ! A.124  at 3.37e+05
assign (resid  12 and name  HG# ) (resid  13 and name   HN )  4.0  2.2  2.5 ! A.134  at 3.15e+04
assign (resid  12 and name   HA ) (resid  13 and name   HN )  3.0  1.2  0.8 ! A.129  at 5.90e+04
assign (resid  12 and name  HB# ) (resid  13 and name   HN )  2.5  0.7  1.9 ! A.133  at 1.08e+05
assign (resid  12 and name   HN ) (resid  13 and name   HN )  2.5  0.7  0.4 ! A.131  at 1.36e+05
assign (resid  12 and name   HA ) (resid  14 and name   HN )  4.0  2.2  1.0 ! A.136  at 2.81e+04

! 13
assign (resid  13 and name HG11 ) (resid  13 and name   HN )  3.0  1.2  0.5 ! A.64   at 3.84e+04
assign (resid  13 and name HG2# ) (resid  13 and name   HN )  3.0  1.2  1.0 ! A.132  at 6.56e+04
assign (resid  13 and name   HB ) (resid  13 and name   HN )  2.5  0.7  0.4 ! A.62   at 2.11e+05
assign (resid  13 and name HG2# ) (resid  14 and name   HN )  3.0  1.2  1.5 ! A.141  at 5.79e+04
assign (resid  13 and name   HB ) (resid  14 and name   HN )  2.5  0.7  0.4 ! A.63   at 1.07e+05
assign (resid  13 and name   HN ) (resid  14 and name   HN )  2.5  0.7  0.4 ! A.140  at 2.99e+05
assign (resid  13 and name   HN ) (resid  16 and name   HN )  4.0  2.2  1.0 ! A.154  at 2.78e+04
assign (resid  13 and name   HA ) (resid  16 and name   HN )  3.0  1.2  0.8 ! A.24   at 5.15e+04
assign (resid  13 and name HG2# ) (resid  17 and name   HN )  4.0  2.2  1.5 ! A.173  at 2.61e+04
assign (resid  13 and name   HB ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.172  at 3.08e+04

! 14
assign (resid  14 and name   HN ) (resid  15 and name  HB# )  4.0  2.2  1.5 ! A.142  at 2.74e+04
assign (resid  14 and name  HA2 ) (resid  15 and name   HN )  3.0  1.2  0.8 ! A.21   at 7.54e+04
assign (resid  14 and name  HA1 ) (resid  15 and name   HN )  2.5  0.7  0.4 ! A.20   at 1.05e+05
assign (resid  14 and name   HN ) (resid  15 and name   HN )  2.5  0.7  0.4 ! A.137  at 1.16e+05
assign (resid  14 and name   HN ) (resid  16 and name   HN )  4.0  2.2  1.0 ! A.138  at 2.55e+04
assign (resid  14 and name  HA1 ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.166  at 1.45e+04
assign (resid  14 and name  HA2 ) (resid  17 and name   HN )  3.0  1.2  0.8 ! A.165  at 3.90e+04

! 15
assign (resid  15 and name  HG# ) (resid  15 and name   HN )  3.0  1.2  2.0 ! A.148  at 4.58e+04
assign (resid  15 and name  HD1 ) (resid  15 and name   HN )  3.0  1.2  0.5 ! A.149  at 4.87e+04
assign (resid  15 and name  HD2 ) (resid  15 and name   HN )  3.0  1.2  0.5 ! A.150  at 7.92e+04
assign (resid  15 and name  HB# ) (resid  15 and name   HN )  2.5  0.7  1.9 ! A.147  at 3.02e+05
assign (resid  15 and name  HD1 ) (resid  16 and name   HN )  4.0  2.2  1.0 ! A.160  at 2.37e+04
assign (resid  15 and name  HG# ) (resid  16 and name   HN )  4.0  2.2  1.5 ! A.159  at 2.41e+04
assign (resid  15 and name   HA ) (resid  16 and name   HN )  3.0  1.2  0.8 ! A.23   at 7.04e+04
assign (resid  15 and name   HN ) (resid  16 and name   HN )  2.5  0.7  0.4 ! A.152  at 1.35e+05
assign (resid  15 and name   HN ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.146  at 2.26e+04
assign (resid  15 and name   HA ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.164  at 2.48e+04
assign (resid  15 and name   HA ) (resid  18 and name   HN )  3.0  1.2  0.5 ! A.27   at 4.99e+04

! 16
assign (resid  16 and name  HG2 ) (resid  16 and name   HN )  3.0  1.2  1.5 ! A.158  at 7.90e+04
assign (resid  16 and name  HB1 ) (resid  16 and name   HN )  2.5  0.7  1.4 ! A.156  at 1.14e+05
assign (resid  16 and name  HG1 ) (resid  16 and name   HN )  2.5  0.7  1.4 ! A.157  at 1.22e+05
assign (resid  16 and name  HB2 ) (resid  16 and name   HN )  2.5  0.7  1.4 ! A.155  at 2.85e+05
assign (resid  16 and name  HG2 ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.171  at 1.47e+04
assign (resid  16 and name  HG1 ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.170  at 1.69e+04
assign (resid  16 and name   HN ) (resid  17 and name  HB# )  4.0  2.2  2.5 ! A.151  at 1.91e+04
assign (resid  16 and name   HA ) (resid  17 and name   HN )  3.0  1.2  0.8 ! A.26   at 4.11e+04
assign (resid  16 and name  HB1 ) (resid  17 and name   HN )  3.0  1.2  0.5 ! A.169  at 4.83e+04
assign (resid  16 and name  HB2 ) (resid  17 and name   HN )  3.0  1.2  0.5 ! A.168  at 7.04e+04
assign (resid  16 and name   HN ) (resid  17 and name   HN )  2.5  0.7  0.4 ! A.162  at 1.34e+05
assign (resid  16 and name   HA ) (resid  18 and name   HN )  4.0  2.2  1.0 ! A.179  at 1.71e+04
assign (resid  16 and name   HA ) (resid  19 and name   HN )  3.0  1.2  0.8 ! A.186  at 5.37e+04

! 17
assign (resid  17 and name  HD# ) (resid  17 and name   HN )  4.0  2.2  1.5 ! A.163  at 2.19e+04
assign (resid  17 and name  HB# ) (resid  17 and name   HN )  2.5  0.7  1.9 ! A.167  at 1.95e+05
assign (resid  17 and name  HD# ) (resid  18 and name   HN )  4.0  2.2  1.5 ! A.176  at 2.09e+04
assign (resid  17 and name   HA ) (resid  18 and name   HN )  3.0  1.2  0.8 ! A.28   at 5.66e+04
assign (resid  17 and name   HN ) (resid  18 and name   HN )  2.5  0.7  0.4 ! A.174  at 1.10e+05
assign (resid  17 and name  HB# ) (resid  18 and name   HN )  2.5  0.7  1.9 ! A.177  at 1.17e+05
assign (resid  17 and name   HA ) (resid  20 and name   HN )  4.0  2.2  1.0 ! A.30   at 3.41e+04

! 18
assign (resid  18 and name  HG# ) (resid  18 and name   HN )  3.0  1.2  2.0 ! A.182  at 4.30e+04
assign (resid  18 and name  HB# ) (resid  18 and name   HN )  2.5  0.7  1.9 ! A.180  at 3.85e+05
assign (resid  18 and name   HA ) (resid  19 and name   HN )  3.0  1.2  0.8 ! A.188  at 7.75e+04
assign (resid  18 and name   HN ) (resid  19 and name   HN )  2.5  0.7  0.4 ! A.175  at 1.16e+05

! 19
assign (resid  19 and name  HD# ) (resid  19 and name   HN )  4.0  2.2  1.5 ! A.189  at 2.02e+04
assign (resid  19 and name  HG2 ) (resid  19 and name   HN )  3.0  1.2  0.5 ! A.191  at 7.42e+04
assign (resid  19 and name  HB1 ) (resid  19 and name   HN )  2.5  0.7  1.4 ! A.190  at 1.65e+05
assign (resid  19 and name   HA ) (resid  20 and name   HN )  3.0  1.2  0.8 ! A.29   at 6.64e+04
assign (resid  19 and name  HB1 ) (resid  20 and name   HN )  3.0  1.2  1.5 ! A.202  at 8.03e+04
assign (resid  19 and name   HN ) (resid  20 and name   HN )  2.5  0.7  0.4 ! A.194  at 1.39e+05

! 20
assign (resid  20 and name HD1# ) (resid  20 and name   HN )  4.0  2.2  1.5 ! A.199  at 2.90e+04
assign (resid  20 and name HG12 ) (resid  20 and name   HN )  3.0  1.2  1.5 ! A.201  at 8.37e+04
assign (resid  20 and name HG2# ) (resid  20 and name   HN )  2.5  0.7  1.9 ! A.198  at 1.08e+05
assign (resid  20 and name HG11 ) (resid  20 and name   HN )  2.5  0.7  1.4 ! A.200  at 1.47e+05
assign (resid  20 and name   HB ) (resid  20 and name   HN )  2.5  0.7  1.4 ! A.197  at 3.05e+05
assign (resid  20 and name HG11 ) (resid  21 and name   HN )  4.0  2.2  1.0 ! A.210  at 2.34e+04
assign (resid  20 and name HG2# ) (resid  21 and name   HN )  3.0  1.2  1.0 ! A.208  at 7.09e+04
assign (resid  20 and name   HA ) (resid  21 and name   HN )  3.0  1.2  0.8 ! A.31   at 9.97e+04
assign (resid  20 and name   HB ) (resid  21 and name   HN )  2.5  0.7  1.4 ! A.209  at 1.23e+05
assign (resid  20 and name   HN ) (resid  21 and name   HN )  2.5  0.7  0.4 ! A.203  at 1.64e+05
assign (resid  20 and name   HA ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.34   at 3.47e+04

! 21
assign (resid  21 and name   HB ) (resid  21 and name   HN )  2.5  0.7  1.4 ! A.206  at 1.15e+05
assign (resid  21 and name  HG* ) (resid  21 and name   HN )  2.5  0.7  2.4 ! A.207  at 2.72e+05
assign (resid  21 and name  HG* ) (resid  22 and name   HN )  3.0  1.2  2.5 ! A.213  at 8.88e+04
assign (resid  21 and name   HA ) (resid  22 and name   HN )  2.5  0.7  0.4 ! A.33   at 1.40e+05
assign (resid  21 and name   HN ) (resid  22 and name   HA )  4.0  2.2  1.0 !
assign (resid  21 and name   HA ) (resid  23 and name   HN )  4.0  2.2  1.0 ! A.214  at 2.64e+04
assign (resid  21 and name  HG* ) (resid  23 and name   HN )  4.0  2.2  3.0 ! A.218  at 3.29e+04

! 22
assign (resid  22 and name  HG# ) (resid  22 and name   HN )  3.0  1.2  2.0 ! A.211  at 8.31e+04
assign (resid  22 and name  HB# ) (resid  22 and name   HN )  2.5  0.7  0.9 ! A.212  at 1.40e+05
assign (resid  22 and name  HB# ) (resid  23 and name   HN )  4.0  2.2  1.5 ! A.219  at 3.28e+04
assign (resid  22 and name   HA ) (resid  23 and name   HN )  2.5  0.7  0.4 ! A.35   at 2.71e+05

! 23
assign (resid  23 and name  HB# ) (resid  23 and name   HN )  3.0  1.2  1.0 ! A.217  at 5.14e+04
assign (resid  23 and name  HG2 ) (resid  23 and name   HN )  3.0  1.2  0.5 ! A.215  at 7.50e+04
assign (resid  23 and name  HG1 ) (resid  23 and name   HN )  3.0  1.2  0.5 ! A.216  at 9.20e+04


!H-bonds
assign ( resid 2 and name o ) ( resid 6 and name n ) 3.0 0.8 0.3
assign ( resid 2 and name o ) ( resid 6 and name hn) 2.0 0.8 0.3

assign ( resid 3 and name o ) ( resid 7 and name n ) 3.0 0.8 0.3
assign ( resid 3 and name o ) ( resid 7 and name hn) 2.0 0.8 0.3

assign ( resid 4 and name o ) ( resid 8 and name n ) 3.0 0.8 0.3
assign ( resid 4 and name o ) ( resid 8 and name hn) 2.0 0.8 0.3

assign ( resid 5 and name o ) ( resid 9 and name n ) 3.0 0.8 0.3
assign ( resid 5 and name o ) ( resid 9 and name hn) 2.0 0.8 0.3

assign ( resid 6 and name o ) ( resid 10 and name n ) 3.0 0.8 0.3
assign ( resid 6 and name o ) ( resid 10 and name hn) 2.0 0.8 0.3

assign ( resid 7 and name o ) ( resid 11 and name n ) 3.0 0.8 0.3
assign ( resid 7 and name o ) ( resid 11 and name hn) 2.0 0.8 0.3

assign ( resid 8 and name o ) ( resid 12 and name n ) 3.0 0.8 0.3
assign ( resid 8 and name o ) ( resid 12 and name hn) 2.0 0.8 0.3

assign ( resid 9 and name o ) ( resid 13 and name n ) 3.0 0.8 0.3
assign ( resid 9 and name o ) ( resid 13 and name hn) 2.0 0.8 0.3

assign ( resid 10 and name o ) ( resid 14 and name n ) 3.0 0.8 0.3
assign ( resid 10 and name o ) ( resid 14 and name hn) 2.0 0.8 0.3

assign ( resid 11 and name o ) ( resid 15 and name n ) 3.0 0.8 0.3
assign ( resid 11 and name o ) ( resid 15 and name hn) 2.0 0.8 0.3

assign ( resid 12 and name o ) ( resid 16 and name n ) 3.0 0.8 0.3
assign ( resid 12 and name o ) ( resid 16 and name hn) 2.0 0.8 0.3

assign ( resid 13 and name o ) ( resid 17 and name n ) 3.0 0.8 0.3
assign ( resid 13 and name o ) ( resid 17 and name hn) 2.0 0.8 0.3

assign ( resid 14 and name o ) ( resid 18 and name n ) 3.0 0.8 0.5
assign ( resid 14 and name o ) ( resid 18 and name hn) 2.0 0.8 0.5

assign ( resid 15 and name o ) ( resid 19 and name n ) 3.0 0.8 0.5
assign ( resid 15 and name o ) ( resid 19 and name hn) 2.0 0.8 0.5

assign ( resid 16 and name o ) ( resid 20 and name n ) 3.0 0.8 0.3
assign ( resid 16 and name o ) ( resid 20 and name hn) 2.0 0.8 0.3

assign ( resid 17 and name o ) ( resid 21 and name n ) 3.0 0.8 0.3
assign ( resid 17 and name o ) ( resid 21 and name hn) 2.0 0.8 0.3

!end

!! phi and phi angles 
!! L2
assign (resid 1 and name  C) (resid 2 and name  N)
       (resid 2 and name CA) (resid 2 and name  C)   1 -79.00 40.00  2
assign (resid 2 and name  N) (resid 2 and name CA)
       (resid 2 and name  C) (resid 3 and name  N)   1 -16.00 40.00  2  
!! G3
assign (resid 2 and name  C) (resid 3 and name  N)
       (resid 3 and name CA) (resid 3 and name  C)   1 -59.00 20.00  2 !
assign (resid 3 and name  N) (resid 3 and name CA)
       (resid 3 and name  C) (resid 4 and name  N)   1 -46.00 10.00  2 ! 
!! D4
assign (resid 3 and name  C) (resid 4 and name  N)
       (resid 4 and name CA) (resid 4 and name  C)   1 -64.00 10.00  2 !
assign (resid 4 and name  N) (resid 4 and name CA)
       (resid 4 and name  C) (resid 5 and name  N)   1 -43.00 10.00  2 ! 
!! F5
assign (resid 4 and name  C) (resid 5 and name  N)
       (resid 5 and name CA) (resid 5 and name  C)   1 -64.00 10.00  2 !
assign (resid 5 and name  N) (resid 5 and name CA)
       (resid 5 and name  C) (resid 6 and name  N)   1 -45.00 10.00  2 ! 
!! F6
assign (resid 5 and name  C) (resid 6 and name  N)
       (resid 6 and name CA) (resid 6 and name  C)   1 -62.00 10.00  2 !
assign (resid 6 and name  N) (resid 6 and name CA)
       (resid 6 and name  C) (resid 7 and name  N)   1 -42.00 10.00  2 ! 
!! R7
assign (resid 6 and name  C) (resid 7 and name  N)
       (resid 7 and name CA) (resid 7 and name  C)   1 -62.00 10.00  2 !
assign (resid 7 and name  N) (resid 7 and name CA)
       (resid 7 and name  C)  (resid 8 and name N)   1 -41.00 10.00  2 ! 
!! K8
assign (resid 7 and name  C) (resid 8 and name  N)
       (resid 8 and name CA) (resid 8 and name  C)   1 -61.00 20.00  2 !
assign (resid 8 and name  N) (resid 8 and name CA)
       (resid 8 and name  C) (resid 9 and name  N)   1 -41.00 10.00  2 !
!! S9
assign (resid 8 and name  C) (resid 9 and name  N)
       (resid 9 and name CA) (resid 9 and name  C)   1 -63.00 10.00  2 !
assign (resid 9 and name  N) (resid 9 and name CA)
       (resid 9 and name  C) (resid 10 and name  N)   1 -40.00 10.00  2 !
!! K10
assign (resid 9 and name  C) (resid 10 and name  N)
       (resid 10 and name CA) (resid 10 and name  C)   1 -62.00 10.00  2 !
assign (resid 10 and name  N) (resid 10 and name CA)
       (resid 10 and name  C)  (resid 11 and name N)   1 -41.00 10.00  2 ! 
!! E11 
assign (resid 10 and name  C) (resid 11 and name  N)
       (resid 11 and name CA) (resid 11 and name  C)   1 -65.00 10.00  2 !
assign (resid 11 and name  N) (resid 11 and name CA)
       (resid 11 and name  C)  (resid 12 and name N)   1 -43.00 10.00  2 !
!! K12 
assign (resid 11 and name  C) (resid 12 and name  N)
       (resid 12 and name CA) (resid 12 and name  C)   1 -63.00 20.00  2 !
assign (resid 12 and name  N) (resid 12 and name CA)
       (resid 12 and name  C)  (resid 13 and name N)   1 -40.00 20.00  2 !
!! 13
assign (resid 12 and name  C) (resid 13 and name  N)
       (resid 13 and name CA) (resid 13 and name  C)   1 -64.00 10.00  2 !
assign (resid 13 and name  N) (resid 13 and name CA)
       (resid 13 and name  C) (resid 14 and name  N)   1 -42.00 10.00  2 !
!! 14
assign (resid 13 and name  C) (resid 14 and name  N)
       (resid 14 and name CA) (resid 14 and name  C)   1 -61.00 10.00  2 !
assign (resid 14 and name  N) (resid 14 and name CA)
       (resid 14 and name  C) (resid 15 and name  N)   1 -44.00 10.00  2 !

!! 15
assign (resid 14 and name  C) (resid 15 and name  N)
       (resid 15 and name CA) (resid 15 and name  C)   1 -64.00 10.00  2 !
assign (resid 15 and name  N) (resid 15 and name CA)
       (resid 15 and name  C) (resid 16 and name  N)   1 -37.00 20.00  2 !

!! 16
assign (resid 15 and name  C) (resid 16 and name  N)
       (resid 16 and name CA) (resid 16 and name  C)   1 -65.00 10.00  2 !
assign (resid 16 and name  N) (resid 16 and name CA)
       (resid 16 and name  C) (resid 17 and name  N)   1 -40.00 10.00  2 !
!! 17
assign (resid 16 and name  C) (resid 17 and name  N)
       (resid 17 and name CA) (resid 17 and name  C)   1 -68.00 20.00  2 !
assign (resid 17 and name  N) (resid 17 and name CA)
       (resid 17 and name  C) (resid 18 and name  N)   1 -37.00 20.00  2 !
!! 18
assign (resid 17 and name  C) (resid 18 and name  N)
       (resid 18 and name CA) (resid 18 and name  C)   1 -62.00 10.00  2 !
assign (resid 18 and name  N) (resid 18 and name CA)
       (resid 18 and name  C) (resid 19 and name  N)   1 -39.00 20.00  2 ! 
!! 19
assign (resid 18 and name  C) (resid 19 and name  N)
       (resid 19 and name CA) (resid 19 and name  C)   1 -75.00 20.00  2 !
assign (resid 19 and name  N) (resid 19 and name CA)
       (resid 19 and name  C) (resid 20 and name  N)   1 -29.00 20.00  2 ! 
!END

!The END of the NMR restraints for LL-23

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           1HT      LEU   1 -17.394  -0.313   3.759
    2    H2   LEU   1           2HT      LEU   1 -18.425   0.281   2.546
    3    H3   LEU   1           3HT      LEU   1 -17.127   1.227   3.101
    4    HA   LEU   1           HA       LEU   1 -16.777  -1.395   1.765
    5    HB2  LEU   1           2HB      LEU   1 -16.330   1.303   0.485
    6    HB3  LEU   1           1HB      LEU   1 -16.429  -0.277  -0.291
    7    HG   LEU   1           HG       LEU   1 -18.875  -0.219   0.857
    8   HD11  LEU   1          2HD1      LEU   1 -18.463   2.665   0.054
    9   HD12  LEU   1          3HD1      LEU   1 -18.268   2.138   1.725
   10   HD13  LEU   1          1HD1      LEU   1 -19.825   1.951   0.919
   11   HD21  LEU   1          1HD2      LEU   1 -18.050   1.072  -1.763
   12   HD22  LEU   1          2HD2      LEU   1 -19.711   0.651  -1.349
   13   HD23  LEU   1          3HD2      LEU   1 -18.495  -0.616  -1.511
   14    H    LEU   2           H        LEU   2 -15.214  -1.708   3.508
   15    HA   LEU   2           HA       LEU   2 -13.130  -0.073   4.247
   16    HB2  LEU   2           2HB      LEU   2 -13.600  -2.336   5.172
   17    HB3  LEU   2           1HB      LEU   2 -12.844  -3.023   3.739
   18    HG   LEU   2           HG       LEU   2 -10.892  -1.391   4.297
   19   HD11  LEU   2          1HD1      LEU   2 -11.904  -1.824   7.109
   20   HD12  LEU   2          2HD1      LEU   2 -12.331  -0.371   6.209
   21   HD13  LEU   2          3HD1      LEU   2 -10.641  -0.727   6.557
   22   HD21  LEU   2          3HD2      LEU   2  -9.956  -3.117   5.897
   23   HD22  LEU   2          1HD2      LEU   2 -10.532  -3.728   4.346
   24   HD23  LEU   2          2HD2      LEU   2 -11.523  -3.920   5.792
   25    H    GLY   3           H        GLY   3 -13.235  -2.265   1.515
   26    HA2  GLY   3           2HA      GLY   3 -10.792  -2.272   0.443
   27    HA3  GLY   3           1HA      GLY   3 -12.200  -2.008  -0.584
   28    H    ASP   4           H        ASP   4 -12.883   0.574   0.565
   29    HA   ASP   4           HA       ASP   4 -11.178   2.246  -1.027
   30    HB2  ASP   4           2HB      ASP   4 -13.397   2.845   0.939
   31    HB3  ASP   4           1HB      ASP   4 -12.525   4.103   0.063
   32    H    PHE   5           H        PHE   5 -11.597   1.621   2.422
   33    HA   PHE   5           HA       PHE   5  -9.923   3.563   3.511
   34    HB2  PHE   5           2HB      PHE   5 -10.992   2.434   5.189
   35    HB3  PHE   5           1HB      PHE   5 -10.937   0.900   4.345
   36    HD1  PHE   5           1HD      PHE   5  -8.849  -0.494   4.396
   37    HD2  PHE   5           2HD      PHE   5  -9.277   3.094   6.719
   38    HE1  PHE   5           1HE      PHE   5  -6.924  -1.169   5.800
   39    HE2  PHE   5           2HE      PHE   5  -7.347   2.418   8.121
   40    HZ   PHE   5           HZ       PHE   5  -6.171   0.284   7.662
   41    H    PHE   6           H        PHE   6  -9.117   0.267   2.459
   42    HA   PHE   6           HA       PHE   6  -6.358   0.412   3.022
   43    HB2  PHE   6           2HB      PHE   6  -8.138  -1.362   1.445
   44    HB3  PHE   6           1HB      PHE   6  -6.435  -1.382   0.990
   45    HD1  PHE   6           1HD      PHE   6  -4.807  -1.293   3.192
   46    HD2  PHE   6           2HD      PHE   6  -8.765  -2.949   3.022
   47    HE1  PHE   6           1HE      PHE   6  -4.290  -2.726   5.150
   48    HE2  PHE   6           2HE      PHE   6  -8.249  -4.382   4.979
   49    HZ   PHE   6           HZ       PHE   6  -6.015  -4.269   6.045
   50    H    ARG   7           H        ARG   7  -8.195   1.151   0.073
   51    HA   ARG   7           HA       ARG   7  -6.114   1.537  -1.700
   52    HB2  ARG   7           2HB      ARG   7  -8.026   1.838  -2.877
   53    HB3  ARG   7           1HB      ARG   7  -8.906   2.399  -1.461
   54    HG2  ARG   7           2HG      ARG   7  -8.046   4.638  -1.721
   55    HG3  ARG   7           1HG      ARG   7  -6.915   4.113  -2.962
   56    HD2  ARG   7           2HD      ARG   7  -8.463   4.391  -4.568
   57    HD3  ARG   7           1HD      ARG   7  -9.585   3.326  -3.734
   58    HE   ARG   7           HE       ARG   7  -9.911   6.064  -4.011
   59   HH11  ARG   7          1HH2      ARG   7  -9.697   3.837  -1.365
   60   HH12  ARG   7          2HH2      ARG   7 -10.605   4.835  -0.282
   61   HH21  ARG   7          1HH1      ARG   7 -11.099   7.362  -2.598
   62   HH22  ARG   7          2HH1      ARG   7 -11.399   6.827  -0.977
   63    H    LYS   8           H        LYS   8  -7.357   3.730   0.782
   64    HA   LYS   8           HA       LYS   8  -5.703   5.938   0.023
   65    HB2  LYS   8           2HB      LYS   8  -7.809   6.132   1.376
   66    HB3  LYS   8           1HB      LYS   8  -6.950   5.390   2.726
   67    HG2  LYS   8           2HG      LYS   8  -5.280   7.205   2.669
   68    HG3  LYS   8           1HG      LYS   8  -6.134   7.949   1.318
   69    HD2  LYS   8           2HD      LYS   8  -8.043   8.437   2.657
   70    HD3  LYS   8           1HD      LYS   8  -7.495   7.373   3.954
   71    HE2  LYS   8           2HE      LYS   8  -6.037   9.879   3.070
   72    HE3  LYS   8           1HE      LYS   8  -7.121   9.795   4.458
   73    HZ1  LYS   8           3HZ      LYS   8  -5.399   7.677   4.750
   74    HZ2  LYS   8           1HZ      LYS   8  -5.376   9.128   5.627
   75    HZ3  LYS   8           2HZ      LYS   8  -4.411   8.961   4.239
   76    H    SER   9           H        SER   9  -5.467   3.398   2.497
   77    HA   SER   9           HA       SER   9  -2.950   4.327   3.510
   78    HB2  SER   9           2HB      SER   9  -3.261   1.572   4.109
   79    HB3  SER   9           1HB      SER   9  -3.583   2.943   5.167
   80    HG   SER   9           HG       SER   9  -5.680   3.043   4.182
   81    H    LYS  10           H        LYS  10  -3.914   1.594   1.434
   82    HA   LYS  10           HA       LYS  10  -1.423   0.496   0.949
   83    HB2  LYS  10           2HB      LYS  10  -3.910   0.697  -0.733
   84    HB3  LYS  10           1HB      LYS  10  -2.462  -0.095  -1.354
   85    HG2  LYS  10           2HG      LYS  10  -3.489  -0.827   1.372
   86    HG3  LYS  10           1HG      LYS  10  -4.278  -1.498  -0.053
   87    HD2  LYS  10           2HD      LYS  10  -1.293  -1.622   0.025
   88    HD3  LYS  10           1HD      LYS  10  -2.167  -2.697   1.114
   89    HE2  LYS  10           2HE      LYS  10  -1.771  -3.838  -1.010
   90    HE3  LYS  10           1HE      LYS  10  -3.497  -3.527  -0.827
   91    HZ1  LYS  10           3HZ      LYS  10  -2.590  -2.957  -3.046
   92    HZ2  LYS  10           1HZ      LYS  10  -1.643  -1.754  -2.316
   93    HZ3  LYS  10           2HZ      LYS  10  -3.337  -1.650  -2.259
   94    H    GLU  11           H        GLU  11  -2.912   3.360  -0.487
   95    HA   GLU  11           HA       GLU  11  -0.894   3.709  -2.491
   96    HB2  GLU  11           2HB      GLU  11  -3.101   5.405  -1.368
   97    HB3  GLU  11           1HB      GLU  11  -1.850   6.168  -2.349
   98    HG2  GLU  11           2HG      GLU  11  -2.291   4.456  -4.133
   99    HG3  GLU  11           1HG      GLU  11  -3.643   3.865  -3.170
  100    H    LYS  12           H        LYS  12  -1.430   4.954   0.778
  101    HA   LYS  12           HA       LYS  12   0.826   6.700   0.805
  102    HB2  LYS  12           2HB      LYS  12  -0.989   5.525   2.889
  103    HB3  LYS  12           1HB      LYS  12   0.485   6.350   3.389
  104    HG2  LYS  12           2HG      LYS  12  -1.287   7.705   1.384
  105    HG3  LYS  12           1HG      LYS  12  -1.795   7.693   3.071
  106    HD2  LYS  12           2HD      LYS  12   0.940   8.616   2.137
  107    HD3  LYS  12           1HD      LYS  12  -0.414   9.703   2.437
  108    HE2  LYS  12           2HE      LYS  12  -0.389   8.266   4.768
  109    HE3  LYS  12           1HE      LYS  12   1.328   8.290   4.369
  110    HZ1  LYS  12           3HZ      LYS  12  -0.089  10.305   5.549
  111    HZ2  LYS  12           1HZ      LYS  12   0.090  10.826   3.944
  112    HZ3  LYS  12           2HZ      LYS  12   1.462  10.433   4.866
  113    H    ILE  13           H        ILE  13   0.273   3.391   2.006
  114    HA   ILE  13           HA       ILE  13   2.889   3.005   3.015
  115    HB   ILE  13           HB       ILE  13   0.569   1.244   2.280
  116   HG12  ILE  13          2HG1      ILE  13   1.012   0.618   4.781
  117   HG13  ILE  13          1HG1      ILE  13   1.979   2.091   4.807
  118   HG21  ILE  13          1HG2      ILE  13   1.938  -0.666   3.209
  119   HG22  ILE  13          2HG2      ILE  13   3.351   0.371   3.033
  120   HG23  ILE  13          3HG2      ILE  13   2.421  -0.102   1.611
  121   HD11  ILE  13          3HD1      ILE  13   0.017   3.371   3.995
  122   HD12  ILE  13          1HD1      ILE  13  -0.321   2.563   5.525
  123   HD13  ILE  13          2HD1      ILE  13  -0.942   1.891   4.019
  124    H    GLY  14           H        GLY  14   1.279   2.157  -0.035
  125    HA2  GLY  14           2HA      GLY  14   3.227   0.645  -1.243
  126    HA3  GLY  14           1HA      GLY  14   2.149   1.721  -2.126
  127    H    LYS  15           H        LYS  15   2.967   4.199  -1.266
  128    HA   LYS  15           HA       LYS  15   5.356   4.555  -2.792
  129    HB2  LYS  15           2HB      LYS  15   3.431   6.286  -1.343
  130    HB3  LYS  15           1HB      LYS  15   5.062   6.935  -1.506
  131    HG2  LYS  15           2HG      LYS  15   3.703   7.631  -3.419
  132    HG3  LYS  15           1HG      LYS  15   4.957   6.512  -3.958
  133    HD2  LYS  15           2HD      LYS  15   3.392   4.680  -4.042
  134    HD3  LYS  15           1HD      LYS  15   2.139   5.647  -3.263
  135    HE2  LYS  15           2HE      LYS  15   3.372   6.241  -5.969
  136    HE3  LYS  15           1HE      LYS  15   1.788   5.510  -5.712
  137    HZ1  LYS  15           3HZ      LYS  15   0.940   7.526  -5.485
  138    HZ2  LYS  15           1HZ      LYS  15   2.468   8.227  -5.712
  139    HZ3  LYS  15           2HZ      LYS  15   1.946   7.819  -4.147
  140    H    GLU  16           H        GLU  16   4.612   4.614   0.673
  141    HA   GLU  16           HA       GLU  16   7.262   5.323   1.474
  142    HB2  GLU  16           2HB      GLU  16   4.786   4.359   2.833
  143    HB3  GLU  16           1HB      GLU  16   6.314   4.178   3.693
  144    HG2  GLU  16           2HG      GLU  16   6.775   6.586   3.369
  145    HG3  GLU  16           1HG      GLU  16   5.236   6.763   2.530
  146    H    PHE  17           H        PHE  17   5.493   2.204   1.481
  147    HA   PHE  17           HA       PHE  17   7.749   0.724   2.334
  148    HB2  PHE  17           2HB      PHE  17   6.112  -0.760   2.617
  149    HB3  PHE  17           1HB      PHE  17   5.037   0.208   1.633
  150    HD1  PHE  17           2HD      PHE  17   5.380   0.022  -0.971
  151    HD2  PHE  17           1HD      PHE  17   6.750  -2.875   1.881
  152    HE1  PHE  17           2HE      PHE  17   5.445  -1.698  -2.752
  153    HE2  PHE  17           1HE      PHE  17   6.815  -4.597   0.104
  154    HZ   PHE  17           HZ       PHE  17   6.166  -4.010  -2.218
  155    H    LYS  18           H        LYS  18   6.918   2.068  -0.723
  156    HA   LYS  18           HA       LYS  18   8.470   0.236  -2.308
  157    HB2  LYS  18           2HB      LYS  18   7.127   2.868  -2.777
  158    HB3  LYS  18           1HB      LYS  18   8.371   2.355  -3.911
  159    HG2  LYS  18           2HG      LYS  18   6.226   0.409  -3.117
  160    HG3  LYS  18           1HG      LYS  18   5.852   1.650  -4.308
  161    HD2  LYS  18           2HD      LYS  18   8.183  -0.285  -4.507
  162    HD3  LYS  18           1HD      LYS  18   6.644  -0.483  -5.342
  163    HE2  LYS  18           2HE      LYS  18   8.884   1.378  -5.926
  164    HE3  LYS  18           1HE      LYS  18   7.727   0.631  -7.025
  165    HZ1  LYS  18           3HZ      LYS  18   7.285   2.946  -6.961
  166    HZ2  LYS  18           1HZ      LYS  18   7.277   2.976  -5.265
  167    HZ3  LYS  18           2HZ      LYS  18   6.034   2.179  -6.105
  168    H    ARG  19           H        ARG  19   9.114   3.201  -0.532
  169    HA   ARG  19           HA       ARG  19  11.792   3.390  -1.694
  170    HB2  ARG  19           2HB      ARG  19  11.879   5.565  -0.933
  171    HB3  ARG  19           1HB      ARG  19  10.145   5.367  -1.170
  172    HG2  ARG  19           2HG      ARG  19   9.958   4.747   1.260
  173    HG3  ARG  19           1HG      ARG  19  11.659   5.163   1.450
  174    HD2  ARG  19           2HD      ARG  19  10.917   7.420   0.295
  175    HD3  ARG  19           1HD      ARG  19   9.322   6.956   0.888
  176    HE   ARG  19           HE       ARG  19  10.932   6.667   3.076
  177   HH11  ARG  19          1HH2      ARG  19  10.309   9.182   0.781
  178   HH12  ARG  19          2HH2      ARG  19  10.614  10.468   1.900
  179   HH21  ARG  19          1HH1      ARG  19  11.332   8.348   4.549
  180   HH22  ARG  19          2HH1      ARG  19  11.192   9.995   4.034
  181    H    ILE  20           H        ILE  20  10.324   2.015   1.108
  182    HA   ILE  20           HA       ILE  20  12.775   2.200   2.689
  183    HB   ILE  20           HB       ILE  20  11.582   1.404   4.497
  184   HG12  ILE  20          2HG1      ILE  20   9.836  -0.105   2.525
  185   HG13  ILE  20          1HG1      ILE  20  11.008  -0.791   3.648
  186   HG21  ILE  20          1HG2      ILE  20   9.024   2.102   3.227
  187   HG22  ILE  20          2HG2      ILE  20  10.287   3.299   2.973
  188   HG23  ILE  20          3HG2      ILE  20   9.827   2.834   4.607
  189   HD11  ILE  20          3HD1      ILE  20   8.475   0.694   4.420
  190   HD12  ILE  20          1HD1      ILE  20   9.669   0.062   5.551
  191   HD13  ILE  20          2HD1      ILE  20   8.737  -1.044   4.543
  192    H    VAL  21           H        VAL  21  10.847  -0.309   1.094
  193    HA   VAL  21           HA       VAL  21  12.992  -2.263   1.523
  194    HB   VAL  21           HB       VAL  21  10.489  -2.747   1.856
  195   HG11  VAL  21          1HG1      VAL  21  10.232  -1.761  -0.688
  196   HG12  VAL  21          2HG1      VAL  21   9.072  -2.849   0.067
  197   HG13  VAL  21          3HG1      VAL  21  10.311  -3.492  -1.007
  198   HG21  VAL  21          3HG2      VAL  21  12.133  -4.537   0.036
  199   HG22  VAL  21          1HG2      VAL  21  10.775  -5.053   1.036
  200   HG23  VAL  21          2HG2      VAL  21  12.258  -4.474   1.794
  201    H    GLN  22           H        GLN  22  13.797  -0.215  -0.154
  202    HA   GLN  22           HA       GLN  22  13.367  -0.691  -2.907
  203    HB2  GLN  22           2HB      GLN  22  15.606   0.643  -1.385
  204    HB3  GLN  22           1HB      GLN  22  15.607   0.527  -3.145
  205    HG2  GLN  22           2HG      GLN  22  13.355   1.620  -3.168
  206    HG3  GLN  22           1HG      GLN  22  13.489   1.841  -1.425
  207   HE21  GLN  22          1HE2      GLN  22  13.552   3.797  -3.870
  208   HE22  GLN  22          2HE2      GLN  22  14.909   4.763  -3.547
  209    H    ARG  23           H        ARG  23  13.452  -3.064  -2.889
  210    HA   ARG  23           HA       ARG  23  14.491  -5.088  -3.250
  211    HB2  ARG  23           2HB      ARG  23  16.408  -3.129  -4.516
  212    HB3  ARG  23           1HB      ARG  23  16.643  -4.873  -4.615
  213    HG2  ARG  23           2HG      ARG  23  14.291  -5.041  -5.539
  214    HG3  ARG  23           1HG      ARG  23  14.282  -3.279  -5.642
  215    HD2  ARG  23           2HD      ARG  23  16.674  -3.898  -6.850
  216    HD3  ARG  23           1HD      ARG  23  15.670  -5.256  -7.343
  217    HE   ARG  23           HE       ARG  23  15.593  -2.799  -8.554
  218   HH11  ARG  23          1HH2      ARG  23  13.315  -4.733  -6.791
  219   HH12  ARG  23          2HH2      ARG  23  11.931  -4.027  -7.553
  220   HH21  ARG  23          1HH1      ARG  23  13.782  -1.893  -9.555
  221   HH22  ARG  23          2HH1      ARG  23  12.195  -2.427  -9.117
  Start of MODEL    2
    1    H1   LEU   1           1HT      LEU   1 -18.000  -1.159   4.443
    2    H2   LEU   1           2HT      LEU   1 -16.384  -1.600   4.723
    3    H3   LEU   1           3HT      LEU   1 -17.049  -1.740   3.166
    4    HA   LEU   1           HA       LEU   1 -16.746   0.406   2.674
    5    HB2  LEU   1           2HB      LEU   1 -17.664   0.783   5.513
    6    HB3  LEU   1           1HB      LEU   1 -16.894   2.128   4.675
    7    HG   LEU   1           HG       LEU   1 -18.538   1.883   2.825
    8   HD11  LEU   1          2HD1      LEU   1 -19.097  -0.456   3.016
    9   HD12  LEU   1          3HD1      LEU   1 -20.567   0.465   3.328
   10   HD13  LEU   1          1HD1      LEU   1 -19.665  -0.240   4.671
   11   HD21  LEU   1          1HD2      LEU   1 -18.881   3.349   4.910
   12   HD22  LEU   1          2HD2      LEU   1 -19.988   2.096   5.471
   13   HD23  LEU   1          3HD2      LEU   1 -20.325   2.965   3.974
   14    H    LEU   2           H        LEU   2 -14.771  -1.529   3.542
   15    HA   LEU   2           HA       LEU   2 -12.712   0.192   4.779
   16    HB2  LEU   2           2HB      LEU   2 -13.190  -2.037   5.819
   17    HB3  LEU   2           1HB      LEU   2 -12.582  -2.780   4.341
   18    HG   LEU   2           HG       LEU   2 -10.550  -1.192   4.665
   19   HD11  LEU   2          1HD1      LEU   2 -11.302   0.160   6.501
   20   HD12  LEU   2          2HD1      LEU   2 -10.073  -0.914   7.161
   21   HD13  LEU   2          3HD1      LEU   2 -11.780  -1.258   7.432
   22   HD21  LEU   2          3HD2      LEU   2 -10.452  -3.630   4.809
   23   HD22  LEU   2          1HD2      LEU   2 -10.974  -3.551   6.492
   24   HD23  LEU   2          2HD2      LEU   2  -9.416  -2.875   6.021
   25    H    GLY   3           H        GLY   3 -13.183  -2.127   2.175
   26    HA2  GLY   3           2HA      GLY   3 -10.870  -2.236   0.848
   27    HA3  GLY   3           1HA      GLY   3 -12.376  -1.994  -0.035
   28    H    ASP   4           H        ASP   4 -12.903   0.640   1.056
   29    HA   ASP   4           HA       ASP   4 -11.402   2.229  -0.786
   30    HB2  ASP   4           2HB      ASP   4 -12.615   4.113   0.152
   31    HB3  ASP   4           1HB      ASP   4 -13.731   2.763  -0.055
   32    H    PHE   5           H        PHE   5 -11.355   1.744   2.715
   33    HA   PHE   5           HA       PHE   5  -9.452   3.643   3.466
   34    HB2  PHE   5           2HB      PHE   5 -10.342   2.655   5.333
   35    HB3  PHE   5           1HB      PHE   5 -10.473   1.084   4.573
   36    HD1  PHE   5           2HD      PHE   5  -8.452  -0.409   4.405
   37    HD2  PHE   5           1HD      PHE   5  -8.409   3.286   6.598
   38    HE1  PHE   5           2HE      PHE   5  -6.383  -1.119   5.568
   39    HE2  PHE   5           1HE      PHE   5  -6.340   2.571   7.763
   40    HZ   PHE   5           HZ       PHE   5  -5.327   0.368   7.247
   41    H    PHE   6           H        PHE   6  -9.016   0.272   2.460
   42    HA   PHE   6           HA       PHE   6  -6.226   0.187   2.683
   43    HB2  PHE   6           2HB      PHE   6  -8.297  -1.408   1.283
   44    HB3  PHE   6           1HB      PHE   6  -6.654  -1.561   0.662
   45    HD1  PHE   6           2HD      PHE   6  -4.822  -1.596   2.725
   46    HD2  PHE   6           1HD      PHE   6  -8.883  -2.995   2.878
   47    HE1  PHE   6           2HE      PHE   6  -4.240  -3.081   4.626
   48    HE2  PHE   6           1HE      PHE   6  -8.297  -4.483   4.776
   49    HZ   PHE   6           HZ       PHE   6  -5.979  -4.523   5.651
   50    H    ARG   7           H        ARG   7  -8.263   1.031  -0.115
   51    HA   ARG   7           HA       ARG   7  -6.272   1.361  -2.010
   52    HB2  ARG   7           2HB      ARG   7  -8.255   1.716  -3.059
   53    HB3  ARG   7           1HB      ARG   7  -9.021   2.327  -1.597
   54    HG2  ARG   7           2HG      ARG   7  -8.084   4.514  -1.918
   55    HG3  ARG   7           1HG      ARG   7  -7.054   3.948  -3.226
   56    HD2  ARG   7           2HD      ARG   7 -10.067   4.170  -3.222
   57    HD3  ARG   7           1HD      ARG   7  -8.944   5.092  -4.213
   58    HE   ARG   7           HE       ARG   7 -10.108   2.648  -4.913
   59   HH11  ARG   7          1HH2      ARG   7  -6.921   4.011  -4.751
   60   HH12  ARG   7          2HH2      ARG   7  -6.238   2.869  -5.857
   61   HH21  ARG   7          1HH1      ARG   7  -9.219   1.187  -6.381
   62   HH22  ARG   7          2HH1      ARG   7  -7.538   1.281  -6.787
   63    H    LYS   8           H        LYS   8  -7.459   3.657   0.420
   64    HA   LYS   8           HA       LYS   8  -5.696   5.772  -0.323
   65    HB2  LYS   8           2HB      LYS   8  -7.859   5.921   1.062
   66    HB3  LYS   8           1HB      LYS   8  -6.881   5.376   2.425
   67    HG2  LYS   8           2HG      LYS   8  -5.345   7.275   2.092
   68    HG3  LYS   8           1HG      LYS   8  -6.310   7.818   0.717
   69    HD2  LYS   8           2HD      LYS   8  -8.257   8.127   2.187
   70    HD3  LYS   8           1HD      LYS   8  -7.322   7.548   3.564
   71    HE2  LYS   8           2HE      LYS   8  -7.519  10.110   3.240
   72    HE3  LYS   8           1HE      LYS   8  -5.916   9.446   3.559
   73    HZ1  LYS   8           3HZ      LYS   8  -5.459   9.463   1.204
   74    HZ2  LYS   8           1HZ      LYS   8  -5.907  11.017   1.711
   75    HZ3  LYS   8           2HZ      LYS   8  -7.018  10.047   0.867
   76    H    SER   9           H        SER   9  -5.559   3.165   2.078
   77    HA   SER   9           HA       SER   9  -3.075   4.040   3.217
   78    HB2  SER   9           2HB      SER   9  -4.308   1.284   3.351
   79    HB3  SER   9           1HB      SER   9  -3.115   1.971   4.449
   80    HG   SER   9           HG       SER   9  -5.817   2.736   4.063
   81    H    LYS  10           H        LYS  10  -3.962   1.350   1.039
   82    HA   LYS  10           HA       LYS  10  -1.442   0.289   0.611
   83    HB2  LYS  10           2HB      LYS  10  -3.934   0.439  -1.047
   84    HB3  LYS  10           1HB      LYS  10  -2.451  -0.144  -1.804
   85    HG2  LYS  10           2HG      LYS  10  -2.235  -1.933  -0.238
   86    HG3  LYS  10           1HG      LYS  10  -3.455  -1.242   0.830
   87    HD2  LYS  10           2HD      LYS  10  -5.116  -1.533  -1.083
   88    HD3  LYS  10           1HD      LYS  10  -3.880  -2.491  -1.890
   89    HE2  LYS  10           2HE      LYS  10  -4.863  -3.087   0.906
   90    HE3  LYS  10           1HE      LYS  10  -5.537  -3.841  -0.536
   91    HZ1  LYS  10           3HZ      LYS  10  -3.814  -5.210   0.458
   92    HZ2  LYS  10           1HZ      LYS  10  -2.690  -3.950   0.301
   93    HZ3  LYS  10           2HZ      LYS  10  -3.344  -4.681  -1.086
   94    H    GLU  11           H        GLU  11  -2.900   3.203  -0.690
   95    HA   GLU  11           HA       GLU  11  -0.848   3.692  -2.645
   96    HB2  GLU  11           2HB      GLU  11  -3.024   5.387  -1.415
   97    HB3  GLU  11           1HB      GLU  11  -1.830   6.071  -2.520
   98    HG2  GLU  11           2HG      GLU  11  -2.520   4.661  -4.308
   99    HG3  GLU  11           1HG      GLU  11  -3.440   3.614  -3.229
  100    H    LYS  12           H        LYS  12  -1.582   4.923   0.612
  101    HA   LYS  12           HA       LYS  12   0.609   6.662   0.881
  102    HB2  LYS  12           2HB      LYS  12  -1.142   6.800   2.505
  103    HB3  LYS  12           1HB      LYS  12  -0.998   5.090   2.907
  104    HG2  LYS  12           2HG      LYS  12   0.040   6.628   4.606
  105    HG3  LYS  12           1HG      LYS  12   1.163   5.447   3.937
  106    HD2  LYS  12           2HD      LYS  12   2.266   7.050   2.623
  107    HD3  LYS  12           1HD      LYS  12   0.906   8.169   2.673
  108    HE2  LYS  12           2HE      LYS  12   3.041   8.603   4.176
  109    HE3  LYS  12           1HE      LYS  12   1.429   8.922   4.814
  110    HZ1  LYS  12           3HZ      LYS  12   2.751   7.632   6.365
  111    HZ2  LYS  12           1HZ      LYS  12   2.984   6.424   5.199
  112    HZ3  LYS  12           2HZ      LYS  12   1.428   6.722   5.810
  113    H    ILE  13           H        ILE  13   0.238   3.288   1.988
  114    HA   ILE  13           HA       ILE  13   2.877   2.925   2.851
  115    HB   ILE  13           HB       ILE  13   0.661   1.092   1.952
  116   HG12  ILE  13          2HG1      ILE  13   0.980   0.352   4.408
  117   HG13  ILE  13          1HG1      ILE  13   1.957   1.807   4.593
  118   HG21  ILE  13          1HG2      ILE  13   3.501   0.414   2.663
  119   HG22  ILE  13          2HG2      ILE  13   2.537  -0.156   1.297
  120   HG23  ILE  13          3HG2      ILE  13   2.189  -0.735   2.926
  121   HD11  ILE  13          3HD1      ILE  13   0.031   3.165   3.801
  122   HD12  ILE  13          1HD1      ILE  13  -0.365   2.245   5.250
  123   HD13  ILE  13          2HD1      ILE  13  -0.930   1.693   3.675
  124    H    GLY  14           H        GLY  14   1.304   2.678  -0.283
  125    HA2  GLY  14           2HA      GLY  14   3.137   1.241  -1.771
  126    HA3  GLY  14           1HA      GLY  14   2.186   2.579  -2.412
  127    H    LYS  15           H        LYS  15   3.155   4.745  -1.116
  128    HA   LYS  15           HA       LYS  15   5.600   5.255  -2.465
  129    HB2  LYS  15           2HB      LYS  15   3.895   6.729  -0.494
  130    HB3  LYS  15           1HB      LYS  15   5.537   7.303  -0.775
  131    HG2  LYS  15           2HG      LYS  15   3.942   8.421  -2.291
  132    HG3  LYS  15           1HG      LYS  15   5.083   7.425  -3.197
  133    HD2  LYS  15           2HD      LYS  15   3.456   5.651  -3.427
  134    HD3  LYS  15           1HD      LYS  15   2.335   6.477  -2.344
  135    HE2  LYS  15           2HE      LYS  15   2.048   6.688  -4.965
  136    HE3  LYS  15           1HE      LYS  15   1.776   8.088  -3.928
  137    HZ1  LYS  15           3HZ      LYS  15   3.290   8.368  -5.943
  138    HZ2  LYS  15           1HZ      LYS  15   4.445   7.508  -5.047
  139    HZ3  LYS  15           2HZ      LYS  15   3.836   8.980  -4.455
  140    H    GLU  16           H        GLU  16   4.874   4.977   1.025
  141    HA   GLU  16           HA       GLU  16   7.548   5.063   1.905
  142    HB2  GLU  16           2HB      GLU  16   5.072   3.805   3.104
  143    HB3  GLU  16           1HB      GLU  16   6.623   3.864   3.941
  144    HG2  GLU  16           2HG      GLU  16   5.293   6.335   2.817
  145    HG3  GLU  16           1HG      GLU  16   5.000   5.769   4.460
  146    H    PHE  17           H        PHE  17   5.443   2.379   0.989
  147    HA   PHE  17           HA       PHE  17   7.062   0.215   1.640
  148    HB2  PHE  17           2HB      PHE  17   4.739   0.027   0.853
  149    HB3  PHE  17           1HB      PHE  17   5.248   0.513  -0.760
  150    HD1  PHE  17           2HD      PHE  17   6.696  -0.971  -2.114
  151    HD2  PHE  17           1HD      PHE  17   5.189  -2.152   1.727
  152    HE1  PHE  17           2HE      PHE  17   7.254  -3.331  -2.619
  153    HE2  PHE  17           1HE      PHE  17   5.742  -4.511   1.228
  154    HZ   PHE  17           HZ       PHE  17   6.780  -5.106  -0.951
  155    H    LYS  18           H        LYS  18   6.996   2.165  -1.344
  156    HA   LYS  18           HA       LYS  18   8.958   0.666  -2.719
  157    HB2  LYS  18           2HB      LYS  18   7.311   2.738  -3.377
  158    HB3  LYS  18           1HB      LYS  18   8.861   3.571  -3.275
  159    HG2  LYS  18           2HG      LYS  18   8.863   2.852  -5.498
  160    HG3  LYS  18           1HG      LYS  18   9.731   1.537  -4.707
  161    HD2  LYS  18           2HD      LYS  18   7.484   0.360  -4.467
  162    HD3  LYS  18           1HD      LYS  18   6.822   1.594  -5.538
  163    HE2  LYS  18           2HE      LYS  18   7.400  -0.186  -6.989
  164    HE3  LYS  18           1HE      LYS  18   8.732   0.959  -7.153
  165    HZ1  LYS  18           3HZ      LYS  18   9.003  -1.654  -6.553
  166    HZ2  LYS  18           1HZ      LYS  18   9.065  -0.944  -5.013
  167    HZ3  LYS  18           2HZ      LYS  18  10.162  -0.457  -6.216
  168    H    ARG  19           H        ARG  19   9.168   3.323  -0.421
  169    HA   ARG  19           HA       ARG  19  12.022   3.658  -0.782
  170    HB2  ARG  19           2HB      ARG  19  10.082   4.757   1.265
  171    HB3  ARG  19           1HB      ARG  19  11.794   5.178   1.199
  172    HG2  ARG  19           2HG      ARG  19  11.410   5.862  -1.223
  173    HG3  ARG  19           1HG      ARG  19   9.682   5.700  -0.904
  174    HD2  ARG  19           2HD      ARG  19  11.638   7.676   0.231
  175    HD3  ARG  19           1HD      ARG  19  10.037   7.962  -0.449
  176    HE   ARG  19           HE       ARG  19   9.552   6.445   1.784
  177   HH11  ARG  19          1HH2      ARG  19  11.256   9.373   1.088
  178   HH12  ARG  19          2HH2      ARG  19  10.965  10.076   2.644
  179   HH21  ARG  19          1HH1      ARG  19   9.164   7.361   3.829
  180   HH22  ARG  19          2HH1      ARG  19   9.779   8.939   4.194
  181    H    ILE  20           H        ILE  20   9.887   2.390   1.772
  182    HA   ILE  20           HA       ILE  20  11.900   1.561   3.533
  183    HB   ILE  20           HB       ILE  20   9.220   1.683   3.678
  184   HG12  ILE  20          2HG1      ILE  20  10.936  -0.235   5.278
  185   HG13  ILE  20          1HG1      ILE  20  10.819   1.504   5.547
  186   HG21  ILE  20          1HG2      ILE  20   8.167  -0.439   3.636
  187   HG22  ILE  20          2HG2      ILE  20   9.707  -1.294   3.545
  188   HG23  ILE  20          3HG2      ILE  20   9.122  -0.381   2.157
  189   HD11  ILE  20          3HD1      ILE  20   8.329   1.204   5.849
  190   HD12  ILE  20          1HD1      ILE  20   9.309   0.436   7.097
  191   HD13  ILE  20          2HD1      ILE  20   8.600  -0.539   5.811
  192    H    VAL  21           H        VAL  21  10.474  -0.017   0.731
  193    HA   VAL  21           HA       VAL  21  12.030  -2.455   1.229
  194    HB   VAL  21           HB       VAL  21  10.029  -1.789  -0.945
  195   HG11  VAL  21          1HG1      VAL  21  11.558  -3.361  -1.866
  196   HG12  VAL  21          2HG1      VAL  21  10.195  -4.324  -1.293
  197   HG13  VAL  21          3HG1      VAL  21  11.681  -4.247  -0.347
  198   HG21  VAL  21          3HG2      VAL  21   8.938  -3.838   0.422
  199   HG22  VAL  21          1HG2      VAL  21   8.662  -2.160   0.885
  200   HG23  VAL  21          2HG2      VAL  21   9.874  -3.121   1.731
  201    H    GLN  22           H        GLN  22  14.132  -2.011   0.785
  202    HA   GLN  22           HA       GLN  22  14.990  -0.423  -1.427
  203    HB2  GLN  22           2HB      GLN  22  16.747  -2.468  -0.108
  204    HB3  GLN  22           1HB      GLN  22  17.153  -0.848  -0.681
  205    HG2  GLN  22           2HG      GLN  22  15.592   0.044   1.122
  206    HG3  GLN  22           1HG      GLN  22  15.553  -1.593   1.775
  207   HE21  GLN  22          1HE2      GLN  22  16.743  -1.104   3.718
  208   HE22  GLN  22          2HE2      GLN  22  18.378  -0.648   3.688
  209    H    ARG  23           H        ARG  23  13.301  -1.964  -2.694
  210    HA   ARG  23           HA       ARG  23  13.017  -3.469  -4.408
  211    HB2  ARG  23           2HB      ARG  23  15.993  -2.978  -4.619
  212    HB3  ARG  23           1HB      ARG  23  15.064  -3.889  -5.810
  213    HG2  ARG  23           2HG      ARG  23  13.550  -1.878  -6.036
  214    HG3  ARG  23           1HG      ARG  23  14.689  -0.987  -5.025
  215    HD2  ARG  23           2HD      ARG  23  16.458  -1.269  -6.627
  216    HD3  ARG  23           1HD      ARG  23  15.506  -2.416  -7.566
  217    HE   ARG  23           HE       ARG  23  13.985  -0.146  -7.586
  218   HH11  ARG  23          1HH2      ARG  23  17.277  -0.916  -8.330
  219   HH12  ARG  23          2HH2      ARG  23  17.428   0.302  -9.553
  220   HH21  ARG  23          1HH1      ARG  23  14.183   1.459  -9.180
  221   HH22  ARG  23          2HH1      ARG  23  15.678   1.646 -10.033
  Start of MODEL    3
    1    H1   LEU   1           1HT      LEU   1 -16.928  -0.830   4.003
    2    H2   LEU   1           2HT      LEU   1 -18.353   0.041   3.695
    3    H3   LEU   1           3HT      LEU   1 -17.459   0.342   5.107
    4    HA   LEU   1           HA       LEU   1 -16.706   0.978   2.314
    5    HB2  LEU   1           2HB      LEU   1 -18.222   2.499   3.752
    6    HB3  LEU   1           1HB      LEU   1 -16.782   2.790   4.729
    7    HG   LEU   1           HG       LEU   1 -15.673   3.270   2.362
    8   HD11  LEU   1          2HD1      LEU   1 -18.526   4.134   1.848
    9   HD12  LEU   1          3HD1      LEU   1 -17.878   2.618   1.226
   10   HD13  LEU   1          1HD1      LEU   1 -17.168   4.152   0.724
   11   HD21  LEU   1          1HD2      LEU   1 -17.530   5.177   3.821
   12   HD22  LEU   1          2HD2      LEU   1 -16.313   5.673   2.645
   13   HD23  LEU   1          3HD2      LEU   1 -15.818   4.916   4.158
   14    H    LEU   2           H        LEU   2 -15.253  -0.984   3.745
   15    HA   LEU   2           HA       LEU   2 -12.948   0.313   4.961
   16    HB2  LEU   2           2HB      LEU   2 -13.710  -1.816   5.859
   17    HB3  LEU   2           1HB      LEU   2 -13.487  -2.586   4.292
   18    HG   LEU   2           HG       LEU   2 -11.120  -1.122   5.133
   19   HD11  LEU   2          1HD1      LEU   2 -12.052  -3.420   6.874
   20   HD12  LEU   2          2HD1      LEU   2 -11.851  -1.746   7.391
   21   HD13  LEU   2          3HD1      LEU   2 -10.443  -2.700   6.924
   22   HD21  LEU   2          3HD2      LEU   2 -11.565  -4.042   4.502
   23   HD22  LEU   2          1HD2      LEU   2 -10.015  -3.201   4.518
   24   HD23  LEU   2          2HD2      LEU   2 -11.231  -2.787   3.309
   25    H    GLY   3           H        GLY   3 -13.457  -1.884   2.256
   26    HA2  GLY   3           2HA      GLY   3 -11.075  -2.067   1.047
   27    HA3  GLY   3           1HA      GLY   3 -12.534  -1.805   0.095
   28    H    ASP   4           H        ASP   4 -13.065   0.850   1.123
   29    HA   ASP   4           HA       ASP   4 -11.522   2.400  -0.687
   30    HB2  ASP   4           2HB      ASP   4 -13.838   2.957   0.209
   31    HB3  ASP   4           1HB      ASP   4 -13.045   3.457   1.701
   32    H    PHE   5           H        PHE   5 -11.369   1.823   2.789
   33    HA   PHE   5           HA       PHE   5  -9.372   3.654   3.498
   34    HB2  PHE   5           2HB      PHE   5  -9.925   2.709   5.469
   35    HB3  PHE   5           1HB      PHE   5 -10.653   1.330   4.676
   36    HD1  PHE   5           2HD      PHE   5  -9.222  -0.661   4.072
   37    HD2  PHE   5           1HD      PHE   5  -7.738   2.626   6.406
   38    HE1  PHE   5           2HE      PHE   5  -7.319  -2.052   4.836
   39    HE2  PHE   5           1HE      PHE   5  -5.835   1.232   7.164
   40    HZ   PHE   5           HZ       PHE   5  -5.625  -1.109   6.377
   41    H    PHE   6           H        PHE   6  -9.131   0.273   2.472
   42    HA   PHE   6           HA       PHE   6  -6.378  -0.026   2.547
   43    HB2  PHE   6           2HB      PHE   6  -8.614  -1.314   1.116
   44    HB3  PHE   6           1HB      PHE   6  -7.051  -1.492   0.326
   45    HD1  PHE   6           1HD      PHE   6  -5.095  -1.768   2.388
   46    HD2  PHE   6           2HD      PHE   6  -9.148  -3.196   2.357
   47    HE1  PHE   6           1HE      PHE   6  -4.476  -3.552   3.990
   48    HE2  PHE   6           2HE      PHE   6  -8.527  -4.981   3.965
   49    HZ   PHE   6           HZ       PHE   6  -6.193  -5.159   4.782
   50    H    ARG   7           H        ARG   7  -8.373   1.150  -0.168
   51    HA   ARG   7           HA       ARG   7  -6.380   1.528  -2.053
   52    HB2  ARG   7           2HB      ARG   7  -8.993   2.871  -1.492
   53    HB3  ARG   7           1HB      ARG   7  -7.906   3.631  -2.654
   54    HG2  ARG   7           2HG      ARG   7  -7.782   1.525  -3.928
   55    HG3  ARG   7           1HG      ARG   7  -8.861   0.753  -2.766
   56    HD2  ARG   7           2HD      ARG   7 -10.308   2.981  -3.420
   57    HD3  ARG   7           1HD      ARG   7  -9.488   2.660  -4.943
   58    HE   ARG   7           HE       ARG   7 -11.734   1.323  -4.128
   59   HH11  ARG   7          1HH2      ARG   7  -8.457   0.412  -4.811
   60   HH12  ARG   7          2HH2      ARG   7  -8.860  -1.222  -5.213
   61   HH21  ARG   7          1HH1      ARG   7 -12.253  -0.810  -4.666
   62   HH22  ARG   7          2HH1      ARG   7 -11.002  -1.911  -5.135
   63    H    LYS   8           H        LYS   8  -7.324   3.628   0.639
   64    HA   LYS   8           HA       LYS   8  -5.488   5.722  -0.045
   65    HB2  LYS   8           2HB      LYS   8  -6.993   5.061   2.495
   66    HB3  LYS   8           1HB      LYS   8  -5.951   6.475   2.327
   67    HG2  LYS   8           2HG      LYS   8  -7.319   7.423   0.636
   68    HG3  LYS   8           1HG      LYS   8  -8.163   5.901   0.354
   69    HD2  LYS   8           2HD      LYS   8  -9.570   7.468   1.647
   70    HD3  LYS   8           1HD      LYS   8  -9.175   6.036   2.598
   71    HE2  LYS   8           2HE      LYS   8  -8.920   8.297   3.783
   72    HE3  LYS   8           1HE      LYS   8  -7.539   7.204   3.873
   73    HZ1  LYS   8           3HZ      LYS   8  -6.286   8.552   2.623
   74    HZ2  LYS   8           1HZ      LYS   8  -7.402   9.753   3.059
   75    HZ3  LYS   8           2HZ      LYS   8  -7.559   8.951   1.570
   76    H    SER   9           H        SER   9  -5.411   2.904   2.085
   77    HA   SER   9           HA       SER   9  -2.863   3.536   3.241
   78    HB2  SER   9           2HB      SER   9  -4.050   0.774   3.100
   79    HB3  SER   9           1HB      SER   9  -3.024   1.467   4.351
   80    HG   SER   9           HG       SER   9  -5.321   1.351   4.850
   81    H    LYS  10           H        LYS  10  -3.932   1.178   0.783
   82    HA   LYS  10           HA       LYS  10  -1.498   0.039   0.156
   83    HB2  LYS  10           2HB      LYS  10  -4.077   0.387  -1.209
   84    HB3  LYS  10           1HB      LYS  10  -2.719   0.266  -2.324
   85    HG2  LYS  10           2HG      LYS  10  -3.515  -1.972  -1.917
   86    HG3  LYS  10           1HG      LYS  10  -1.984  -1.803  -1.060
   87    HD2  LYS  10           2HD      LYS  10  -3.239  -1.282   1.022
   88    HD3  LYS  10           1HD      LYS  10  -4.749  -1.543   0.149
   89    HE2  LYS  10           2HE      LYS  10  -2.607  -3.665   0.216
   90    HE3  LYS  10           1HE      LYS  10  -3.795  -3.529   1.511
   91    HZ1  LYS  10           3HZ      LYS  10  -5.478  -3.492  -0.417
   92    HZ2  LYS  10           1HZ      LYS  10  -4.799  -4.976   0.046
   93    HZ3  LYS  10           2HZ      LYS  10  -4.218  -4.171  -1.333
   94    H    GLU  11           H        GLU  11  -2.887   3.090  -1.011
   95    HA   GLU  11           HA       GLU  11  -0.714   3.685  -2.781
   96    HB2  GLU  11           2HB      GLU  11  -3.088   5.147  -1.725
   97    HB3  GLU  11           1HB      GLU  11  -1.761   6.103  -2.386
   98    HG2  GLU  11           2HG      GLU  11  -3.104   5.698  -4.263
   99    HG3  GLU  11           1HG      GLU  11  -1.872   4.458  -4.402
  100    H    LYS  12           H        LYS  12  -1.523   4.475   0.560
  101    HA   LYS  12           HA       LYS  12   0.600   6.312   0.996
  102    HB2  LYS  12           2HB      LYS  12  -1.442   6.072   2.438
  103    HB3  LYS  12           1HB      LYS  12  -0.779   4.559   3.042
  104    HG2  LYS  12           2HG      LYS  12   0.965   6.997   3.138
  105    HG3  LYS  12           1HG      LYS  12  -0.343   6.869   4.311
  106    HD2  LYS  12           2HD      LYS  12   0.567   4.490   4.783
  107    HD3  LYS  12           1HD      LYS  12   2.016   5.022   3.932
  108    HE2  LYS  12           2HE      LYS  12   2.179   6.960   5.487
  109    HE3  LYS  12           1HE      LYS  12   0.791   6.331   6.375
  110    HZ1  LYS  12           3HZ      LYS  12   2.042   4.804   7.373
  111    HZ2  LYS  12           1HZ      LYS  12   3.387   5.691   6.839
  112    HZ3  LYS  12           2HZ      LYS  12   2.833   4.365   5.934
  113    H    ILE  13           H        ILE  13   0.247   2.823   1.681
  114    HA   ILE  13           HA       ILE  13   2.844   2.468   2.732
  115    HB   ILE  13           HB       ILE  13   0.716   0.671   1.603
  116   HG12  ILE  13          2HG1      ILE  13   1.025  -0.302   3.979
  117   HG13  ILE  13          1HG1      ILE  13   1.957   1.156   4.314
  118   HG21  ILE  13          1HG2      ILE  13   2.207  -1.241   2.333
  119   HG22  ILE  13          2HG2      ILE  13   3.527  -0.076   2.386
  120   HG23  ILE  13          3HG2      ILE  13   2.707  -0.411   0.860
  121   HD11  ILE  13          3HD1      ILE  13  -0.364   1.492   4.986
  122   HD12  ILE  13          1HD1      ILE  13  -0.921   1.032   3.379
  123   HD13  ILE  13          2HD1      ILE  13  -0.001   2.519   3.604
  124    H    GLY  14           H        GLY  14   1.432   2.179  -0.503
  125    HA2  GLY  14           2HA      GLY  14   3.483   0.969  -1.891
  126    HA3  GLY  14           1HA      GLY  14   2.428   2.198  -2.585
  127    H    LYS  15           H        LYS  15   3.105   4.451  -1.220
  128    HA   LYS  15           HA       LYS  15   5.559   5.191  -2.457
  129    HB2  LYS  15           2HB      LYS  15   3.556   6.503  -0.680
  130    HB3  LYS  15           1HB      LYS  15   5.168   7.216  -0.725
  131    HG2  LYS  15           2HG      LYS  15   3.769   8.266  -2.429
  132    HG3  LYS  15           1HG      LYS  15   5.024   7.306  -3.213
  133    HD2  LYS  15           2HD      LYS  15   3.400   5.432  -3.454
  134    HD3  LYS  15           1HD      LYS  15   2.147   6.458  -2.753
  135    HE2  LYS  15           2HE      LYS  15   3.732   7.215  -5.220
  136    HE3  LYS  15           1HE      LYS  15   2.166   6.405  -5.282
  137    HZ1  LYS  15           3HZ      LYS  15   1.715   8.686  -5.448
  138    HZ2  LYS  15           1HZ      LYS  15   2.794   9.087  -4.202
  139    HZ3  LYS  15           2HZ      LYS  15   1.341   8.283  -3.840
  140    H    GLU  16           H        GLU  16   4.678   4.923   1.001
  141    HA   GLU  16           HA       GLU  16   7.263   5.262   2.025
  142    HB2  GLU  16           2HB      GLU  16   4.925   3.654   3.089
  143    HB3  GLU  16           1HB      GLU  16   6.399   3.965   4.005
  144    HG2  GLU  16           2HG      GLU  16   5.966   6.458   3.510
  145    HG3  GLU  16           1HG      GLU  16   4.346   5.954   3.037
  146    H    PHE  17           H        PHE  17   5.514   2.325   1.060
  147    HA   PHE  17           HA       PHE  17   7.399   0.397   1.730
  148    HB2  PHE  17           2HB      PHE  17   5.124  -0.070   0.870
  149    HB3  PHE  17           1HB      PHE  17   5.637   0.444  -0.732
  150    HD1  PHE  17           1HD      PHE  17   6.721  -1.843   2.025
  151    HD2  PHE  17           2HD      PHE  17   6.372  -1.206  -2.206
  152    HE1  PHE  17           1HE      PHE  17   7.564  -4.135   1.616
  153    HE2  PHE  17           2HE      PHE  17   7.218  -3.499  -2.619
  154    HZ   PHE  17           HZ       PHE  17   7.817  -4.966  -0.709
  155    H    LYS  18           H        LYS  18   7.042   2.096  -1.399
  156    HA   LYS  18           HA       LYS  18   9.223   0.973  -2.697
  157    HB2  LYS  18           2HB      LYS  18   7.372   2.855  -3.348
  158    HB3  LYS  18           1HB      LYS  18   8.805   3.866  -3.184
  159    HG2  LYS  18           2HG      LYS  18   8.973   3.219  -5.415
  160    HG3  LYS  18           1HG      LYS  18   9.942   1.970  -4.632
  161    HD2  LYS  18           2HD      LYS  18   7.963   0.480  -4.584
  162    HD3  LYS  18           1HD      LYS  18   7.016   1.724  -5.400
  163    HE2  LYS  18           2HE      LYS  18   8.668   1.660  -7.288
  164    HE3  LYS  18           1HE      LYS  18   9.457   0.297  -6.493
  165    HZ1  LYS  18           3HZ      LYS  18   8.006  -0.974  -7.562
  166    HZ2  LYS  18           1HZ      LYS  18   7.060   0.349  -8.041
  167    HZ3  LYS  18           2HZ      LYS  18   6.809  -0.366  -6.520
  168    H    ARG  19           H        ARG  19   9.127   3.451  -0.236
  169    HA   ARG  19           HA       ARG  19  11.962   4.088  -0.567
  170    HB2  ARG  19           2HB      ARG  19   9.882   5.090   1.394
  171    HB3  ARG  19           1HB      ARG  19  11.549   5.664   1.315
  172    HG2  ARG  19           2HG      ARG  19  11.088   6.166  -1.160
  173    HG3  ARG  19           1HG      ARG  19   9.382   5.939  -0.772
  174    HD2  ARG  19           2HD      ARG  19  10.176   7.614   1.249
  175    HD3  ARG  19           1HD      ARG  19  11.195   8.172  -0.074
  176    HE   ARG  19           HE       ARG  19   8.575   8.907   0.224
  177   HH11  ARG  19          1HH2      ARG  19  10.358   7.142  -2.173
  178   HH12  ARG  19          2HH2      ARG  19   9.265   7.530  -3.457
  179   HH21  ARG  19          1HH1      ARG  19   7.158   9.418  -1.461
  180   HH22  ARG  19          2HH1      ARG  19   7.460   8.816  -3.056
  181    H    ILE  20           H        ILE  20   9.856   2.171   1.445
  182    HA   ILE  20           HA       ILE  20  11.794   1.738   3.526
  183    HB   ILE  20           HB       ILE  20   9.063   1.455   3.333
  184   HG12  ILE  20          2HG1      ILE  20  10.915   0.129   5.329
  185   HG13  ILE  20          1HG1      ILE  20  10.411   1.818   5.358
  186   HG21  ILE  20          1HG2      ILE  20  10.189  -1.350   3.543
  187   HG22  ILE  20          2HG2      ILE  20   9.418  -0.712   2.090
  188   HG23  ILE  20          3HG2      ILE  20   8.493  -0.871   3.580
  189   HD11  ILE  20          3HD1      ILE  20   8.646  -0.621   5.673
  190   HD12  ILE  20          1HD1      ILE  20   8.017   1.011   5.448
  191   HD13  ILE  20          2HD1      ILE  20   8.972   0.623   6.880
  192    H    VAL  21           H        VAL  21  10.757   0.080   0.612
  193    HA   VAL  21           HA       VAL  21  12.838  -1.978   1.074
  194    HB   VAL  21           HB       VAL  21  10.619  -2.954   0.995
  195   HG11  VAL  21          1HG1      VAL  21   9.643  -2.651  -1.564
  196   HG12  VAL  21          2HG1      VAL  21  10.286  -1.045  -1.236
  197   HG13  VAL  21          3HG1      VAL  21   9.078  -1.746  -0.163
  198   HG21  VAL  21          3HG2      VAL  21  11.126  -4.661  -0.497
  199   HG22  VAL  21          1HG2      VAL  21  12.706  -3.896  -0.347
  200   HG23  VAL  21          2HG2      VAL  21  11.689  -3.552  -1.745
  201    H    GLN  22           H        GLN  22  14.250  -0.177   0.202
  202    HA   GLN  22           HA       GLN  22  14.053   0.255  -2.681
  203    HB2  GLN  22           2HB      GLN  22  16.314   1.204  -0.936
  204    HB3  GLN  22           1HB      GLN  22  15.668   1.932  -2.407
  205    HG2  GLN  22           2HG      GLN  22  13.477   2.229  -1.078
  206    HG3  GLN  22           1HG      GLN  22  14.451   1.898   0.353
  207   HE21  GLN  22          1HE2      GLN  22  13.949   4.218  -2.289
  208   HE22  GLN  22          2HE2      GLN  22  14.865   5.465  -1.592
  209    H    ARG  23           H        ARG  23  14.379  -2.023  -3.220
  210    HA   ARG  23           HA       ARG  23  16.670  -3.502  -2.564
  211    HB2  ARG  23           2HB      ARG  23  14.931  -3.574  -5.039
  212    HB3  ARG  23           1HB      ARG  23  16.156  -4.783  -4.654
  213    HG2  ARG  23           2HG      ARG  23  13.858  -4.053  -2.816
  214    HG3  ARG  23           1HG      ARG  23  13.834  -5.424  -3.925
  215    HD2  ARG  23           2HD      ARG  23  16.232  -5.797  -2.624
  216    HD3  ARG  23           1HD      ARG  23  15.234  -5.117  -1.343
  217    HE   ARG  23           HE       ARG  23  15.139  -7.750  -2.109
  218   HH11  ARG  23          1HH2      ARG  23  12.882  -5.116  -2.091
  219   HH12  ARG  23          2HH2      ARG  23  11.491  -6.139  -1.992
  220   HH21  ARG  23          1HH1      ARG  23  13.318  -9.081  -1.972
  221   HH22  ARG  23          2HH1      ARG  23  11.735  -8.378  -1.923
  Start of MODEL    4
    1    H1   LEU   1           1HT      LEU   1 -17.528   2.094   3.766
    2    H2   LEU   1           2HT      LEU   1 -17.001   1.773   2.183
    3    H3   LEU   1           3HT      LEU   1 -15.938   2.470   3.311
    4    HA   LEU   1           HA       LEU   1 -16.770   0.171   4.530
    5    HB2  LEU   1           2HB      LEU   1 -16.449  -0.149   1.548
    6    HB3  LEU   1           1HB      LEU   1 -16.052  -1.471   2.645
    7    HG   LEU   1           HG       LEU   1 -18.297  -1.499   3.536
    8   HD11  LEU   1          2HD1      LEU   1 -18.623   1.021   1.896
    9   HD12  LEU   1          3HD1      LEU   1 -18.872   0.814   3.629
   10   HD13  LEU   1          1HD1      LEU   1 -20.006   0.098   2.483
   11   HD21  LEU   1          1HD2      LEU   1 -18.487  -1.176   0.526
   12   HD22  LEU   1          2HD2      LEU   1 -19.546  -2.140   1.555
   13   HD23  LEU   1          3HD2      LEU   1 -17.865  -2.620   1.324
   14    H    LEU   2           H        LEU   2 -14.844  -1.379   4.650
   15    HA   LEU   2           HA       LEU   2 -12.506   0.081   5.272
   16    HB2  LEU   2           2HB      LEU   2 -13.038  -2.045   6.338
   17    HB3  LEU   2           1HB      LEU   2 -12.843  -2.884   4.805
   18    HG   LEU   2           HG       LEU   2 -10.563  -1.191   5.365
   19   HD11  LEU   2          1HD1      LEU   2 -11.235  -3.332   7.402
   20   HD12  LEU   2          2HD1      LEU   2 -11.051  -1.606   7.716
   21   HD13  LEU   2          3HD1      LEU   2  -9.654  -2.570   7.241
   22   HD21  LEU   2          3HD2      LEU   2  -9.333  -3.159   4.794
   23   HD22  LEU   2          1HD2      LEU   2 -10.751  -3.107   3.748
   24   HD23  LEU   2          2HD2      LEU   2 -10.718  -4.194   5.137
   25    H    GLY   3           H        GLY   3 -13.053  -2.306   2.741
   26    HA2  GLY   3           2HA      GLY   3 -10.764  -2.391   1.356
   27    HA3  GLY   3           1HA      GLY   3 -12.308  -2.290   0.512
   28    H    ASP   4           H        ASP   4 -12.956   0.378   1.437
   29    HA   ASP   4           HA       ASP   4 -11.687   1.925  -0.573
   30    HB2  ASP   4           2HB      ASP   4 -13.147   2.905   1.894
   31    HB3  ASP   4           1HB      ASP   4 -12.838   3.827   0.425
   32    H    PHE   5           H        PHE   5 -11.203   1.588   2.910
   33    HA   PHE   5           HA       PHE   5  -9.282   3.575   3.337
   34    HB2  PHE   5           2HB      PHE   5  -9.580   2.705   5.395
   35    HB3  PHE   5           1HB      PHE   5 -10.283   1.242   4.742
   36    HD1  PHE   5           1HD      PHE   5  -8.777  -0.679   4.088
   37    HD2  PHE   5           2HD      PHE   5  -7.314   2.810   6.123
   38    HE1  PHE   5           1HE      PHE   5  -6.716  -1.906   4.718
   39    HE2  PHE   5           2HE      PHE   5  -5.253   1.583   6.748
   40    HZ   PHE   5           HZ       PHE   5  -4.954  -0.776   6.045
   41    H    PHE   6           H        PHE   6  -8.914   0.178   2.431
   42    HA   PHE   6           HA       PHE   6  -6.160   0.004   2.331
   43    HB2  PHE   6           2HB      PHE   6  -8.413  -1.408   1.064
   44    HB3  PHE   6           1HB      PHE   6  -6.897  -1.527   0.175
   45    HD1  PHE   6           1HD      PHE   6  -4.777  -1.748   1.964
   46    HD2  PHE   6           2HD      PHE   6  -8.787  -3.182   2.514
   47    HE1  PHE   6           1HE      PHE   6  -3.948  -3.446   3.574
   48    HE2  PHE   6           2HE      PHE   6  -7.959  -4.884   4.123
   49    HZ   PHE   6           HZ       PHE   6  -5.540  -5.012   4.653
   50    H    ARG   7           H        ARG   7  -8.339   1.031  -0.302
   51    HA   ARG   7           HA       ARG   7  -6.445   1.473  -2.276
   52    HB2  ARG   7           2HB      ARG   7  -8.978   3.001  -1.639
   53    HB3  ARG   7           1HB      ARG   7  -8.026   3.271  -3.100
   54    HG2  ARG   7           2HG      ARG   7  -8.246   0.787  -3.574
   55    HG3  ARG   7           1HG      ARG   7  -9.415   0.716  -2.254
   56    HD2  ARG   7           2HD      ARG   7  -9.640   2.505  -4.691
   57    HD3  ARG   7           1HD      ARG   7 -10.527   1.000  -4.452
   58    HE   ARG   7           HE       ARG   7 -11.145   2.462  -2.232
   59   HH11  ARG   7          1HH2      ARG   7 -11.220   3.024  -5.646
   60   HH12  ARG   7          2HH2      ARG   7 -12.572   4.105  -5.578
   61   HH21  ARG   7          1HH1      ARG   7 -12.918   3.878  -2.135
   62   HH22  ARG   7          2HH1      ARG   7 -13.533   4.588  -3.591
   63    H    LYS   8           H        LYS   8  -7.592   3.775   0.185
   64    HA   LYS   8           HA       LYS   8  -5.780   5.846  -0.535
   65    HB2  LYS   8           2HB      LYS   8  -7.902   6.155   0.771
   66    HB3  LYS   8           1HB      LYS   8  -7.107   5.393   2.147
   67    HG2  LYS   8           2HG      LYS   8  -5.284   7.150   1.924
   68    HG3  LYS   8           1HG      LYS   8  -6.335   7.976   0.773
   69    HD2  LYS   8           2HD      LYS   8  -8.130   8.018   2.518
   70    HD3  LYS   8           1HD      LYS   8  -6.978   7.329   3.664
   71    HE2  LYS   8           2HE      LYS   8  -6.853  10.021   2.294
   72    HE3  LYS   8           1HE      LYS   8  -6.895   9.685   4.025
   73    HZ1  LYS   8           3HZ      LYS   8  -4.684   9.923   3.837
   74    HZ2  LYS   8           1HZ      LYS   8  -4.667   9.591   2.174
   75    HZ3  LYS   8           2HZ      LYS   8  -4.732   8.315   3.292
   76    H    SER   9           H        SER   9  -5.659   3.182   1.778
   77    HA   SER   9           HA       SER   9  -3.228   4.034   3.030
   78    HB2  SER   9           2HB      SER   9  -4.262   1.206   2.981
   79    HB3  SER   9           1HB      SER   9  -3.323   2.008   4.236
   80    HG   SER   9           HG       SER   9  -5.083   2.998   4.934
   81    H    LYS  10           H        LYS  10  -3.976   1.466   0.652
   82    HA   LYS  10           HA       LYS  10  -1.409   0.488   0.289
   83    HB2  LYS  10           2HB      LYS  10  -3.875   0.569  -1.360
   84    HB3  LYS  10           1HB      LYS  10  -2.375   0.264  -2.233
   85    HG2  LYS  10           2HG      LYS  10  -1.906  -1.689  -0.996
   86    HG3  LYS  10           1HG      LYS  10  -3.025  -1.249   0.294
   87    HD2  LYS  10           2HD      LYS  10  -4.915  -1.823  -0.970
   88    HD3  LYS  10           1HD      LYS  10  -4.048  -1.708  -2.500
   89    HE2  LYS  10           2HE      LYS  10  -2.829  -3.734  -2.052
   90    HE3  LYS  10           1HE      LYS  10  -3.424  -3.792  -0.394
   91    HZ1  LYS  10           3HZ      LYS  10  -5.619  -3.631  -2.125
   92    HZ2  LYS  10           1HZ      LYS  10  -5.184  -4.906  -1.094
   93    HZ3  LYS  10           2HZ      LYS  10  -4.599  -4.867  -2.689
   94    H    GLU  11           H        GLU  11  -2.900   3.394  -1.057
   95    HA   GLU  11           HA       GLU  11  -0.795   4.000  -2.883
   96    HB2  GLU  11           2HB      GLU  11  -2.966   5.651  -1.590
   97    HB3  GLU  11           1HB      GLU  11  -1.769   6.368  -2.671
   98    HG2  GLU  11           2HG      GLU  11  -2.419   4.845  -4.464
   99    HG3  GLU  11           1HG      GLU  11  -3.547   4.020  -3.390
  100    H    LYS  12           H        LYS  12  -1.584   5.271   0.360
  101    HA   LYS  12           HA       LYS  12   0.686   6.886   0.677
  102    HB2  LYS  12           2HB      LYS  12  -1.332   6.873   2.176
  103    HB3  LYS  12           1HB      LYS  12  -0.741   5.364   2.872
  104    HG2  LYS  12           2HG      LYS  12   1.296   6.443   3.629
  105    HG3  LYS  12           1HG      LYS  12   0.861   7.935   2.795
  106    HD2  LYS  12           2HD      LYS  12  -1.216   8.031   4.231
  107    HD3  LYS  12           1HD      LYS  12  -0.558   6.683   5.160
  108    HE2  LYS  12           2HE      LYS  12   0.901   9.303   4.720
  109    HE3  LYS  12           1HE      LYS  12  -0.051   8.933   6.159
  110    HZ1  LYS  12           3HZ      LYS  12   2.080   7.109   5.248
  111    HZ2  LYS  12           1HZ      LYS  12   1.407   7.271   6.796
  112    HZ3  LYS  12           2HZ      LYS  12   2.453   8.468   6.197
  113    H    ILE  13           H        ILE  13   0.123   3.491   1.615
  114    HA   ILE  13           HA       ILE  13   2.699   3.026   2.658
  115    HB   ILE  13           HB       ILE  13   0.422   1.336   1.667
  116   HG12  ILE  13          2HG1      ILE  13   0.857   0.407   4.078
  117   HG13  ILE  13          1HG1      ILE  13   1.809   1.874   4.289
  118   HG21  ILE  13          1HG2      ILE  13   3.222   0.415   2.286
  119   HG22  ILE  13          2HG2      ILE  13   2.250   0.063   0.855
  120   HG23  ILE  13          3HG2      ILE  13   1.828  -0.657   2.408
  121   HD11  ILE  13          3HD1      ILE  13  -0.459   2.300   5.045
  122   HD12  ILE  13          1HD1      ILE  13  -1.116   1.713   3.519
  123   HD13  ILE  13          2HD1      ILE  13  -0.180   3.207   3.561
  124    H    GLY  14           H        GLY  14   1.294   2.909  -0.562
  125    HA2  GLY  14           2HA      GLY  14   3.162   1.446  -1.973
  126    HA3  GLY  14           1HA      GLY  14   2.309   2.838  -2.636
  127    H    LYS  15           H        LYS  15   3.284   4.889  -1.089
  128    HA   LYS  15           HA       LYS  15   5.825   5.369  -2.292
  129    HB2  LYS  15           2HB      LYS  15   4.091   6.815  -0.315
  130    HB3  LYS  15           1HB      LYS  15   5.758   7.342  -0.543
  131    HG2  LYS  15           2HG      LYS  15   4.181   8.555  -2.038
  132    HG3  LYS  15           1HG      LYS  15   5.372   7.621  -2.946
  133    HD2  LYS  15           2HD      LYS  15   3.789   5.873  -3.392
  134    HD3  LYS  15           1HD      LYS  15   2.624   6.556  -2.258
  135    HE2  LYS  15           2HE      LYS  15   2.232   8.456  -3.666
  136    HE3  LYS  15           1HE      LYS  15   3.604   8.053  -4.699
  137    HZ1  LYS  15           3HZ      LYS  15   1.284   6.245  -4.343
  138    HZ2  LYS  15           1HZ      LYS  15   2.494   6.169  -5.530
  139    HZ3  LYS  15           2HZ      LYS  15   1.348   7.422  -5.567
  140    H    GLU  16           H        GLU  16   4.878   4.969   1.134
  141    HA   GLU  16           HA       GLU  16   7.484   4.878   2.183
  142    HB2  GLU  16           2HB      GLU  16   4.946   3.537   3.156
  143    HB3  GLU  16           1HB      GLU  16   6.432   3.667   4.095
  144    HG2  GLU  16           2HG      GLU  16   6.312   6.162   3.814
  145    HG3  GLU  16           1HG      GLU  16   4.732   5.950   3.060
  146    H    PHE  17           H        PHE  17   5.332   2.300   1.049
  147    HA   PHE  17           HA       PHE  17   6.793   0.038   1.612
  148    HB2  PHE  17           2HB      PHE  17   4.559   0.119   0.485
  149    HB3  PHE  17           1HB      PHE  17   5.381   0.581  -1.000
  150    HD1  PHE  17           1HD      PHE  17   5.151  -2.053   1.588
  151    HD2  PHE  17           2HD      PHE  17   6.438  -1.037  -2.378
  152    HE1  PHE  17           1HE      PHE  17   5.590  -4.449   1.126
  153    HE2  PHE  17           2HE      PHE  17   6.880  -3.435  -2.845
  154    HZ   PHE  17           HZ       PHE  17   6.458  -5.143  -1.094
  155    H    LYS  18           H        LYS  18   7.213   2.293  -1.096
  156    HA   LYS  18           HA       LYS  18   9.305   0.816  -2.350
  157    HB2  LYS  18           2HB      LYS  18   7.781   3.079  -2.920
  158    HB3  LYS  18           1HB      LYS  18   9.416   3.715  -2.744
  159    HG2  LYS  18           2HG      LYS  18   9.263   3.113  -5.033
  160    HG3  LYS  18           1HG      LYS  18  10.139   1.778  -4.291
  161    HD2  LYS  18           2HD      LYS  18   8.274   0.346  -4.361
  162    HD3  LYS  18           1HD      LYS  18   7.137   1.681  -4.538
  163    HE2  LYS  18           2HE      LYS  18   7.661   0.278  -6.644
  164    HE3  LYS  18           1HE      LYS  18   7.719   2.035  -6.799
  165    HZ1  LYS  18           3HZ      LYS  18   9.736   1.618  -7.652
  166    HZ2  LYS  18           1HZ      LYS  18   9.863   0.093  -6.922
  167    HZ3  LYS  18           2HZ      LYS  18  10.217   1.493  -6.028
  168    H    ARG  19           H        ARG  19   9.345   3.707  -0.250
  169    HA   ARG  19           HA       ARG  19  12.120   3.948  -0.001
  170    HB2  ARG  19           2HB      ARG  19   9.751   4.779   1.595
  171    HB3  ARG  19           1HB      ARG  19  11.289   4.746   2.455
  172    HG2  ARG  19           2HG      ARG  19  11.162   6.050  -0.251
  173    HG3  ARG  19           1HG      ARG  19  10.549   6.923   1.153
  174    HD2  ARG  19           2HD      ARG  19  13.286   5.643   1.119
  175    HD3  ARG  19           1HD      ARG  19  13.014   7.300   0.588
  176    HE   ARG  19           HE       ARG  19  11.844   7.211   3.056
  177   HH11  ARG  19          1HH2      ARG  19  14.944   6.372   1.762
  178   HH12  ARG  19          2HH2      ARG  19  15.805   6.740   3.218
  179   HH21  ARG  19          1HH1      ARG  19  12.969   7.698   4.970
  180   HH22  ARG  19          2HH1      ARG  19  14.688   7.491   5.034
  181    H    ILE  20           H        ILE  20   9.875   1.683   1.347
  182    HA   ILE  20           HA       ILE  20  11.816   0.620   3.246
  183    HB   ILE  20           HB       ILE  20   9.025   0.824   3.209
  184   HG12  ILE  20          2HG1      ILE  20  10.786  -0.910   4.954
  185   HG13  ILE  20          1HG1      ILE  20  10.531   0.822   5.154
  186   HG21  ILE  20          1HG2      ILE  20   8.181  -1.443   3.330
  187   HG22  ILE  20          2HG2      ILE  20   9.792  -2.104   3.060
  188   HG23  ILE  20          3HG2      ILE  20   8.972  -1.228   1.774
  189   HD11  ILE  20          3HD1      ILE  20   8.506  -1.399   5.464
  190   HD12  ILE  20          1HD1      ILE  20   8.028   0.290   5.283
  191   HD13  ILE  20          2HD1      ILE  20   9.003  -0.207   6.666
  192    H    VAL  21           H        VAL  21  10.346  -0.115   0.166
  193    HA   VAL  21           HA       VAL  21  11.764  -2.692   0.052
  194    HB   VAL  21           HB       VAL  21   9.562  -1.547  -1.681
  195   HG11  VAL  21          1HG1      VAL  21  10.615  -2.882  -3.243
  196   HG12  VAL  21          2HG1      VAL  21   9.663  -4.121  -2.430
  197   HG13  VAL  21          3HG1      VAL  21  11.365  -3.908  -2.021
  198   HG21  VAL  21          3HG2      VAL  21   9.629  -3.177   0.742
  199   HG22  VAL  21          1HG2      VAL  21   8.823  -4.025  -0.575
  200   HG23  VAL  21          2HG2      VAL  21   8.245  -2.441  -0.064
  201    H    GLN  22           H        GLN  22  12.804   0.140  -0.292
  202    HA   GLN  22           HA       GLN  22  14.038  -0.207  -2.960
  203    HB2  GLN  22           2HB      GLN  22  13.483   2.258  -1.312
  204    HB3  GLN  22           1HB      GLN  22  14.666   2.268  -2.619
  205    HG2  GLN  22           2HG      GLN  22  11.986   1.099  -3.222
  206    HG3  GLN  22           1HG      GLN  22  12.076   2.851  -3.044
  207   HE21  GLN  22          1HE2      GLN  22  12.191   0.523  -5.381
  208   HE22  GLN  22          2HE2      GLN  22  13.205   1.290  -6.505
  209    H    ARG  23           H        ARG  23  14.634  -1.361  -0.270
  210    HA   ARG  23           HA       ARG  23  17.512  -1.066  -0.415
  211    HB2  ARG  23           2HB      ARG  23  17.464  -0.589   2.191
  212    HB3  ARG  23           1HB      ARG  23  17.386   0.737   1.031
  213    HG2  ARG  23           2HG      ARG  23  15.078   1.039   1.330
  214    HG3  ARG  23           1HG      ARG  23  14.854  -0.579   1.992
  215    HD2  ARG  23           2HD      ARG  23  16.626   1.336   3.467
  216    HD3  ARG  23           1HD      ARG  23  14.880   1.538   3.587
  217    HE   ARG  23           HE       ARG  23  15.256  -1.121   4.089
  218   HH11  ARG  23          1HH2      ARG  23  16.565   1.834   5.323
  219   HH12  ARG  23          2HH2      ARG  23  16.831   1.212   6.917
  220   HH21  ARG  23          1HH1      ARG  23  15.599  -1.945   6.176
  221   HH22  ARG  23          2HH1      ARG  23  16.283  -0.929   7.401
  Start of MODEL    5
    1    H1   LEU   1           1HT      LEU   1 -18.207   0.531   4.645
    2    H2   LEU   1           2HT      LEU   1 -18.143   2.222   4.491
    3    H3   LEU   1           3HT      LEU   1 -16.956   1.402   5.388
    4    HA   LEU   1           HA       LEU   1 -17.025   0.304   2.809
    5    HB2  LEU   1           2HB      LEU   1 -17.369   3.241   3.004
    6    HB3  LEU   1           1HB      LEU   1 -16.049   2.723   1.959
    7    HG   LEU   1           HG       LEU   1 -18.236   2.974   0.758
    8   HD11  LEU   1          2HD1      LEU   1 -17.759   1.232  -0.655
    9   HD12  LEU   1          3HD1      LEU   1 -17.679   0.047   0.648
   10   HD13  LEU   1          1HD1      LEU   1 -16.315   1.124   0.347
   11   HD21  LEU   1          1HD2      LEU   1 -19.446   1.981   2.899
   12   HD22  LEU   1          2HD2      LEU   1 -19.175   0.443   2.076
   13   HD23  LEU   1          3HD2      LEU   1 -20.114   1.712   1.289
   14    H    LEU   2           H        LEU   2 -15.377  -0.871   3.821
   15    HA   LEU   2           HA       LEU   2 -13.076   0.508   4.949
   16    HB2  LEU   2           2HB      LEU   2 -13.823  -1.578   5.956
   17    HB3  LEU   2           1HB      LEU   2 -13.582  -2.427   4.435
   18    HG   LEU   2           HG       LEU   2 -11.229  -0.904   5.162
   19   HD11  LEU   2          1HD1      LEU   2 -12.119  -3.042   7.116
   20   HD12  LEU   2          2HD1      LEU   2 -11.994  -1.320   7.472
   21   HD13  LEU   2          3HD1      LEU   2 -10.542  -2.253   7.108
   22   HD21  LEU   2          3HD2      LEU   2 -11.453  -2.807   3.526
   23   HD22  LEU   2          1HD2      LEU   2 -11.579  -3.888   4.914
   24   HD23  LEU   2          2HD2      LEU   2 -10.108  -2.951   4.658
   25    H    GLY   3           H        GLY   3 -13.581  -1.826   2.361
   26    HA2  GLY   3           2HA      GLY   3 -11.201  -2.052   1.155
   27    HA3  GLY   3           1HA      GLY   3 -12.666  -1.850   0.197
   28    H    ASP   4           H        ASP   4 -13.215   0.849   1.093
   29    HA   ASP   4           HA       ASP   4 -11.721   2.325  -0.805
   30    HB2  ASP   4           2HB      ASP   4 -14.020   2.887   0.222
   31    HB3  ASP   4           1HB      ASP   4 -13.111   3.548   1.580
   32    H    PHE   5           H        PHE   5 -11.453   1.877   2.683
   33    HA   PHE   5           HA       PHE   5  -9.413   3.727   3.235
   34    HB2  PHE   5           2HB      PHE   5  -9.912   2.899   5.273
   35    HB3  PHE   5           1HB      PHE   5 -10.691   1.493   4.581
   36    HD1  PHE   5           2HD      PHE   5  -9.327  -0.545   4.038
   37    HD2  PHE   5           1HD      PHE   5  -7.676   2.837   6.103
   38    HE1  PHE   5           2HE      PHE   5  -7.412  -1.934   4.783
   39    HE2  PHE   5           1HE      PHE   5  -5.759   1.450   6.846
   40    HZ   PHE   5           HZ       PHE   5  -5.627  -0.935   6.185
   41    H    PHE   6           H        PHE   6  -9.288   0.303   2.349
   42    HA   PHE   6           HA       PHE   6  -6.549  -0.078   2.411
   43    HB2  PHE   6           2HB      PHE   6  -8.824  -1.319   1.005
   44    HB3  PHE   6           1HB      PHE   6  -7.269  -1.551   0.209
   45    HD1  PHE   6           1HD      PHE   6  -5.281  -1.940   2.106
   46    HD2  PHE   6           2HD      PHE   6  -9.418  -3.044   2.434
   47    HE1  PHE   6           1HE      PHE   6  -4.681  -3.696   3.756
   48    HE2  PHE   6           2HE      PHE   6  -8.819  -4.802   4.083
   49    HZ   PHE   6           HZ       PHE   6  -6.451  -5.125   4.745
   50    H    ARG   7           H        ARG   7  -8.513   1.218  -0.259
   51    HA   ARG   7           HA       ARG   7  -6.512   1.490  -2.167
   52    HB2  ARG   7           2HB      ARG   7  -8.857   3.336  -1.658
   53    HB3  ARG   7           1HB      ARG   7  -7.901   3.281  -3.140
   54    HG2  ARG   7           2HG      ARG   7  -8.497   0.752  -3.174
   55    HG3  ARG   7           1HG      ARG   7  -9.763   1.187  -2.026
   56    HD2  ARG   7           2HD      ARG   7  -9.451   1.994  -4.898
   57    HD3  ARG   7           1HD      ARG   7 -10.890   1.429  -4.049
   58    HE   ARG   7           HE       ARG   7 -10.331   3.813  -2.842
   59   HH11  ARG   7          1HH2      ARG   7 -10.742   2.737  -6.103
   60   HH12  ARG   7          2HH2      ARG   7 -11.373   4.247  -6.671
   61   HH21  ARG   7          1HH1      ARG   7 -11.156   5.800  -3.578
   62   HH22  ARG   7          2HH1      ARG   7 -11.607   5.982  -5.239
   63    H    LYS   8           H        LYS   8  -7.543   3.905   0.269
   64    HA   LYS   8           HA       LYS   8  -5.472   5.740  -0.455
   65    HB2  LYS   8           2HB      LYS   8  -6.265   7.117   1.272
   66    HB3  LYS   8           1HB      LYS   8  -7.701   6.244   0.751
   67    HG2  LYS   8           2HG      LYS   8  -7.942   5.824   2.983
   68    HG3  LYS   8           1HG      LYS   8  -6.779   4.548   2.668
   69    HD2  LYS   8           2HD      LYS   8  -4.997   6.428   3.109
   70    HD3  LYS   8           1HD      LYS   8  -6.336   7.230   3.928
   71    HE2  LYS   8           2HE      LYS   8  -6.681   5.021   5.188
   72    HE3  LYS   8           1HE      LYS   8  -5.093   4.559   4.578
   73    HZ1  LYS   8           3HZ      LYS   8  -5.570   6.010   6.822
   74    HZ2  LYS   8           1HZ      LYS   8  -5.139   7.199   5.690
   75    HZ3  LYS   8           2HZ      LYS   8  -4.083   5.907   6.007
   76    H    SER   9           H        SER   9  -5.750   3.107   1.844
   77    HA   SER   9           HA       SER   9  -3.352   3.752   3.285
   78    HB2  SER   9           2HB      SER   9  -5.322   2.294   4.076
   79    HB3  SER   9           1HB      SER   9  -4.595   1.012   3.111
   80    HG   SER   9           HG       SER   9  -3.961   1.333   5.456
   81    H    LYS  10           H        LYS  10  -4.151   1.246   0.851
   82    HA   LYS  10           HA       LYS  10  -1.626   0.121   0.602
   83    HB2  LYS  10           2HB      LYS  10  -4.013   0.344  -1.156
   84    HB3  LYS  10           1HB      LYS  10  -2.494  -0.041  -1.964
   85    HG2  LYS  10           2HG      LYS  10  -2.151  -1.892  -0.294
   86    HG3  LYS  10           1HG      LYS  10  -3.765  -1.561   0.334
   87    HD2  LYS  10           2HD      LYS  10  -3.399  -2.047  -2.614
   88    HD3  LYS  10           1HD      LYS  10  -3.433  -3.416  -1.506
   89    HE2  LYS  10           2HE      LYS  10  -5.578  -1.315  -1.338
   90    HE3  LYS  10           1HE      LYS  10  -5.679  -2.581  -2.561
   91    HZ1  LYS  10           3HZ      LYS  10  -6.784  -3.464  -0.737
   92    HZ2  LYS  10           1HZ      LYS  10  -5.657  -2.859   0.378
   93    HZ3  LYS  10           2HZ      LYS  10  -5.239  -4.162  -0.630
   94    H    GLU  11           H        GLU  11  -2.936   3.070  -0.821
   95    HA   GLU  11           HA       GLU  11  -0.768   3.620  -2.562
   96    HB2  GLU  11           2HB      GLU  11  -2.884   5.333  -1.267
   97    HB3  GLU  11           1HB      GLU  11  -1.611   6.045  -2.259
   98    HG2  GLU  11           2HG      GLU  11  -2.266   4.718  -4.171
   99    HG3  GLU  11           1HG      GLU  11  -3.413   3.798  -3.197
  100    H    LYS  12           H        LYS  12  -1.451   4.468   0.811
  101    HA   LYS  12           HA       LYS  12   0.799   6.127   1.225
  102    HB2  LYS  12           2HB      LYS  12  -1.183   5.941   2.758
  103    HB3  LYS  12           1HB      LYS  12  -0.560   4.377   3.285
  104    HG2  LYS  12           2HG      LYS  12   1.491   5.401   4.087
  105    HG3  LYS  12           1HG      LYS  12   1.012   6.964   3.427
  106    HD2  LYS  12           2HD      LYS  12  -0.859   7.106   4.963
  107    HD3  LYS  12           1HD      LYS  12  -0.555   5.469   5.548
  108    HE2  LYS  12           2HE      LYS  12   0.342   7.435   6.975
  109    HE3  LYS  12           1HE      LYS  12   1.444   6.101   6.635
  110    HZ1  LYS  12           3HZ      LYS  12   2.675   7.347   5.222
  111    HZ2  LYS  12           1HZ      LYS  12   2.109   8.603   6.212
  112    HZ3  LYS  12           2HZ      LYS  12   1.361   8.298   4.716
  113    H    ILE  13           H        ILE  13   0.310   2.628   1.692
  114    HA   ILE  13           HA       ILE  13   2.846   2.049   2.752
  115    HB   ILE  13           HB       ILE  13   0.729   0.487   1.311
  116   HG12  ILE  13          2HG1      ILE  13   0.876  -0.779   3.559
  117   HG13  ILE  13          1HG1      ILE  13   1.841   0.586   4.118
  118   HG21  ILE  13          1HG2      ILE  13   2.715  -0.565   0.532
  119   HG22  ILE  13          2HG2      ILE  13   2.121  -1.550   1.867
  120   HG23  ILE  13          3HG2      ILE  13   3.470  -0.446   2.122
  121   HD11  ILE  13          3HD1      ILE  13  -0.007   2.118   3.544
  122   HD12  ILE  13          1HD1      ILE  13  -0.536   0.888   4.689
  123   HD13  ILE  13          2HD1      ILE  13  -0.965   0.746   2.986
  124    H    GLY  14           H        GLY  14   1.554   2.055  -0.546
  125    HA2  GLY  14           2HA      GLY  14   3.675   1.021  -1.956
  126    HA3  GLY  14           1HA      GLY  14   2.607   2.275  -2.581
  127    H    LYS  15           H        LYS  15   3.206   4.400  -0.932
  128    HA   LYS  15           HA       LYS  15   5.712   5.245  -2.043
  129    HB2  LYS  15           2HB      LYS  15   3.515   6.480  -0.470
  130    HB3  LYS  15           1HB      LYS  15   5.101   7.230  -0.309
  131    HG2  LYS  15           2HG      LYS  15   3.865   8.282  -2.145
  132    HG3  LYS  15           1HG      LYS  15   5.250   7.399  -2.786
  133    HD2  LYS  15           2HD      LYS  15   3.812   5.506  -3.373
  134    HD3  LYS  15           1HD      LYS  15   2.419   6.318  -2.657
  135    HE2  LYS  15           2HE      LYS  15   2.225   6.779  -4.969
  136    HE3  LYS  15           1HE      LYS  15   2.938   8.246  -4.299
  137    HZ1  LYS  15           3HZ      LYS  15   4.138   6.203  -5.999
  138    HZ2  LYS  15           1HZ      LYS  15   5.136   6.894  -4.814
  139    HZ3  LYS  15           2HZ      LYS  15   4.388   7.882  -5.978
  140    H    GLU  16           H        GLU  16   4.591   4.219   1.124
  141    HA   GLU  16           HA       GLU  16   7.034   4.918   2.457
  142    HB2  GLU  16           2HB      GLU  16   4.649   3.246   3.219
  143    HB3  GLU  16           1HB      GLU  16   6.053   3.397   4.270
  144    HG2  GLU  16           2HG      GLU  16   4.836   5.902   3.160
  145    HG3  GLU  16           1HG      GLU  16   3.998   5.081   4.476
  146    H    PHE  17           H        PHE  17   5.669   1.932   1.091
  147    HA   PHE  17           HA       PHE  17   7.872   0.333   2.006
  148    HB2  PHE  17           2HB      PHE  17   6.496  -1.353   1.503
  149    HB3  PHE  17           1HB      PHE  17   5.323  -0.161   0.988
  150    HD1  PHE  17           2HD      PHE  17   5.776   0.816  -1.471
  151    HD2  PHE  17           1HD      PHE  17   7.121  -2.984  -0.027
  152    HE1  PHE  17           2HE      PHE  17   5.927  -0.013  -3.801
  153    HE2  PHE  17           1HE      PHE  17   7.279  -3.820  -2.351
  154    HZ   PHE  17           HZ       PHE  17   6.684  -2.331  -4.245
  155    H    LYS  18           H        LYS  18   7.174   2.025  -1.067
  156    HA   LYS  18           HA       LYS  18   9.301   0.664  -2.434
  157    HB2  LYS  18           2HB      LYS  18   8.947   2.181  -4.249
  158    HB3  LYS  18           1HB      LYS  18   7.378   1.700  -3.613
  159    HG2  LYS  18           2HG      LYS  18   7.550   3.844  -2.161
  160    HG3  LYS  18           1HG      LYS  18   8.807   4.329  -3.303
  161    HD2  LYS  18           2HD      LYS  18   5.987   3.503  -4.048
  162    HD3  LYS  18           1HD      LYS  18   6.593   5.164  -4.030
  163    HE2  LYS  18           2HE      LYS  18   6.824   4.541  -6.287
  164    HE3  LYS  18           1HE      LYS  18   8.439   4.268  -5.631
  165    HZ1  LYS  18           3HZ      LYS  18   6.877   2.430  -6.924
  166    HZ2  LYS  18           1HZ      LYS  18   6.746   1.996  -5.289
  167    HZ3  LYS  18           2HZ      LYS  18   8.278   2.102  -6.019
  168    H    ARG  19           H        ARG  19   9.134   3.513  -0.417
  169    HA   ARG  19           HA       ARG  19  11.733   4.475  -1.260
  170    HB2  ARG  19           2HB      ARG  19  11.320   6.317   0.045
  171    HB3  ARG  19           1HB      ARG  19   9.661   5.761  -0.155
  172    HG2  ARG  19           2HG      ARG  19   9.946   4.445   1.995
  173    HG3  ARG  19           1HG      ARG  19  11.486   5.280   2.216
  174    HD2  ARG  19           2HD      ARG  19   8.703   6.406   2.269
  175    HD3  ARG  19           1HD      ARG  19  10.025   6.659   3.406
  176    HE   ARG  19           HE       ARG  19  10.936   7.761   1.072
  177   HH11  ARG  19          1HH2      ARG  19   8.101   8.080   3.028
  178   HH12  ARG  19          2HH2      ARG  19   7.831   9.740   2.612
  179   HH21  ARG  19          1HH1      ARG  19  10.590   9.940   0.521
  180   HH22  ARG  19          2HH1      ARG  19   9.240  10.792   1.192
  181    H    ILE  20           H        ILE  20  10.401   2.545   1.365
  182    HA   ILE  20           HA       ILE  20  12.828   2.427   2.865
  183    HB   ILE  20           HB       ILE  20  10.242   1.986   3.470
  184   HG12  ILE  20          2HG1      ILE  20  12.587   0.631   4.823
  185   HG13  ILE  20          1HG1      ILE  20  12.126   2.322   5.017
  186   HG21  ILE  20          1HG2      ILE  20   9.763  -0.342   3.786
  187   HG22  ILE  20          2HG2      ILE  20  11.390  -0.810   3.297
  188   HG23  ILE  20          3HG2      ILE  20  10.267  -0.150   2.109
  189   HD11  ILE  20          3HD1      ILE  20   9.860   1.541   5.790
  190   HD12  ILE  20          1HD1      ILE  20  11.179   1.093   6.871
  191   HD13  ILE  20          2HD1      ILE  20  10.487  -0.107   5.780
  192    H    VAL  21           H        VAL  21  11.260   0.328   0.482
  193    HA   VAL  21           HA       VAL  21  13.491  -1.581   0.677
  194    HB   VAL  21           HB       VAL  21  11.052  -2.318   0.668
  195   HG11  VAL  21          1HG1      VAL  21  10.993  -2.277  -2.279
  196   HG12  VAL  21          2HG1      VAL  21  10.870  -0.678  -1.551
  197   HG13  VAL  21          3HG1      VAL  21   9.707  -1.930  -1.123
  198   HG21  VAL  21          3HG2      VAL  21  13.030  -3.366  -1.376
  199   HG22  VAL  21          1HG2      VAL  21  11.557  -4.220  -0.920
  200   HG23  VAL  21          2HG2      VAL  21  12.813  -3.923   0.282
  201    H    GLN  22           H        GLN  22  14.467   0.681  -0.321
  202    HA   GLN  22           HA       GLN  22  14.226   0.918  -3.169
  203    HB2  GLN  22           2HB      GLN  22  16.067   2.073  -1.089
  204    HB3  GLN  22           1HB      GLN  22  16.407   2.298  -2.804
  205    HG2  GLN  22           2HG      GLN  22  14.369   3.460  -3.168
  206    HG3  GLN  22           1HG      GLN  22  13.699   2.932  -1.625
  207   HE21  GLN  22          1HE2      GLN  22  13.394   5.094  -0.784
  208   HE22  GLN  22          2HE2      GLN  22  14.704   6.099  -0.394
  209    H    ARG  23           H        ARG  23  14.610  -1.232  -3.898
  210    HA   ARG  23           HA       ARG  23  15.981  -3.202  -4.059
  211    HB2  ARG  23           2HB      ARG  23  17.433  -1.250  -5.824
  212    HB3  ARG  23           1HB      ARG  23  16.981  -2.923  -6.153
  213    HG2  ARG  23           2HG      ARG  23  15.279  -1.919  -7.323
  214    HG3  ARG  23           1HG      ARG  23  14.517  -1.881  -5.736
  215    HD2  ARG  23           2HD      ARG  23  14.300   0.333  -6.504
  216    HD3  ARG  23           1HD      ARG  23  15.709   0.402  -5.447
  217    HE   ARG  23           HE       ARG  23  16.795  -0.099  -7.891
  218   HH11  ARG  23          1HH2      ARG  23  14.537   2.204  -6.642
  219   HH12  ARG  23          2HH2      ARG  23  14.994   3.460  -7.743
  220   HH21  ARG  23          1HH1      ARG  23  17.404   1.544  -9.341
  221   HH22  ARG  23          2HH1      ARG  23  16.620   3.086  -9.271
  Start of MODEL    6
    1    H1   LEU   1           1HT      LEU   1 -18.190  -1.270   4.670
    2    H2   LEU   1           2HT      LEU   1 -16.620  -1.768   5.086
    3    H3   LEU   1           3HT      LEU   1 -17.103  -1.742   3.456
    4    HA   LEU   1           HA       LEU   1 -16.893   0.491   3.251
    5    HB2  LEU   1           2HB      LEU   1 -18.437   0.558   5.474
    6    HB3  LEU   1           1HB      LEU   1 -16.916   1.118   6.165
    7    HG   LEU   1           HG       LEU   1 -18.266   2.309   3.722
    8   HD11  LEU   1          2HD1      LEU   1 -18.837   4.173   5.150
    9   HD12  LEU   1          3HD1      LEU   1 -17.943   3.476   6.499
   10   HD13  LEU   1          1HD1      LEU   1 -19.422   2.703   5.929
   11   HD21  LEU   1          1HD2      LEU   1 -15.815   3.137   5.312
   12   HD22  LEU   1          2HD2      LEU   1 -16.553   4.097   4.032
   13   HD23  LEU   1          3HD2      LEU   1 -15.827   2.537   3.654
   14    H    LEU   2           H        LEU   2 -14.900  -1.418   3.395
   15    HA   LEU   2           HA       LEU   2 -12.732  -0.050   4.881
   16    HB2  LEU   2           2HB      LEU   2 -13.242  -2.395   5.591
   17    HB3  LEU   2           1HB      LEU   2 -12.748  -2.917   3.982
   18    HG   LEU   2           HG       LEU   2 -10.659  -1.387   4.481
   19   HD11  LEU   2          1HD1      LEU   2 -11.465  -2.296   7.260
   20   HD12  LEU   2          2HD1      LEU   2 -11.558  -0.631   6.692
   21   HD13  LEU   2          3HD1      LEU   2  -9.992  -1.427   6.832
   22   HD21  LEU   2          3HD2      LEU   2  -9.464  -3.351   5.319
   23   HD22  LEU   2          1HD2      LEU   2 -10.574  -3.780   4.017
   24   HD23  LEU   2          2HD2      LEU   2 -11.005  -4.125   5.693
   25    H    GLY   3           H        GLY   3 -13.420  -1.931   1.990
   26    HA2  GLY   3           2HA      GLY   3 -11.186  -1.923   0.539
   27    HA3  GLY   3           1HA      GLY   3 -12.720  -1.500  -0.218
   28    H    ASP   4           H        ASP   4 -13.062   0.979   1.263
   29    HA   ASP   4           HA       ASP   4 -11.591   2.741  -0.438
   30    HB2  ASP   4           2HB      ASP   4 -12.661   4.528   0.810
   31    HB3  ASP   4           1HB      ASP   4 -13.845   3.260   0.502
   32    H    PHE   5           H        PHE   5 -11.337   1.754   2.941
   33    HA   PHE   5           HA       PHE   5  -9.312   3.480   3.804
   34    HB2  PHE   5           2HB      PHE   5 -10.100   2.307   5.598
   35    HB3  PHE   5           1HB      PHE   5 -10.414   0.866   4.655
   36    HD1  PHE   5           1HD      PHE   5  -8.563  -0.754   4.168
   37    HD2  PHE   5           2HD      PHE   5  -8.013   2.656   6.722
   38    HE1  PHE   5           1HE      PHE   5  -6.478  -1.751   5.058
   39    HE2  PHE   5           2HE      PHE   5  -5.925   1.657   7.609
   40    HZ   PHE   5           HZ       PHE   5  -5.157  -0.549   6.776
   41    H    PHE   6           H        PHE   6  -9.048   0.205   2.443
   42    HA   PHE   6           HA       PHE   6  -6.272   0.006   2.440
   43    HB2  PHE   6           2HB      PHE   6  -8.499  -1.295   0.974
   44    HB3  PHE   6           1HB      PHE   6  -6.907  -1.437   0.235
   45    HD1  PHE   6           1HD      PHE   6  -4.989  -1.792   2.256
   46    HD2  PHE   6           2HD      PHE   6  -9.071  -3.129   2.272
   47    HE1  PHE   6           1HE      PHE   6  -4.390  -3.583   3.852
   48    HE2  PHE   6           2HE      PHE   6  -8.471  -4.921   3.876
   49    HZ   PHE   6           HZ       PHE   6  -6.134  -5.149   4.670
   50    H    ARG   7           H        ARG   7  -8.435   1.352  -0.046
   51    HA   ARG   7           HA       ARG   7  -6.592   1.819  -2.054
   52    HB2  ARG   7           2HB      ARG   7  -8.629   2.451  -2.843
   53    HB3  ARG   7           1HB      ARG   7  -9.202   2.925  -1.247
   54    HG2  ARG   7           2HG      ARG   7  -8.123   5.055  -1.389
   55    HG3  ARG   7           1HG      ARG   7  -7.235   4.586  -2.833
   56    HD2  ARG   7           2HD      ARG   7 -10.210   5.035  -2.568
   57    HD3  ARG   7           1HD      ARG   7  -9.083   5.983  -3.527
   58    HE   ARG   7           HE       ARG   7 -10.495   3.737  -4.413
   59   HH11  ARG   7          1HH2      ARG   7  -7.207   4.834  -4.347
   60   HH12  ARG   7          2HH2      ARG   7  -6.701   3.796  -5.635
   61   HH21  ARG   7          1HH1      ARG   7  -9.832   2.399  -6.101
   62   HH22  ARG   7          2HH1      ARG   7  -8.183   2.426  -6.631
   63    H    LYS   8           H        LYS   8  -7.335   3.774   0.807
   64    HA   LYS   8           HA       LYS   8  -5.457   5.845   0.169
   65    HB2  LYS   8           2HB      LYS   8  -6.969   5.080   2.666
   66    HB3  LYS   8           1HB      LYS   8  -5.795   6.395   2.659
   67    HG2  LYS   8           2HG      LYS   8  -7.063   7.699   1.182
   68    HG3  LYS   8           1HG      LYS   8  -7.959   6.309   0.568
   69    HD2  LYS   8           2HD      LYS   8  -9.313   6.173   2.495
   70    HD3  LYS   8           1HD      LYS   8  -8.200   7.147   3.455
   71    HE2  LYS   8           2HE      LYS   8  -9.694   8.231   1.055
   72    HE3  LYS   8           1HE      LYS   8 -10.300   8.356   2.707
   73    HZ1  LYS   8           3HZ      LYS   8  -8.709  10.166   1.559
   74    HZ2  LYS   8           1HZ      LYS   8  -7.554   9.191   2.328
   75    HZ3  LYS   8           2HZ      LYS   8  -8.797   9.910   3.237
   76    H    SER   9           H        SER   9  -5.392   2.894   2.104
   77    HA   SER   9           HA       SER   9  -2.811   3.384   3.244
   78    HB2  SER   9           2HB      SER   9  -3.143   1.416   4.366
   79    HB3  SER   9           1HB      SER   9  -4.811   1.706   3.884
   80    HG   SER   9           HG       SER   9  -3.479  -0.397   3.346
   81    H    LYS  10           H        LYS  10  -3.964   1.223   0.644
   82    HA   LYS  10           HA       LYS  10  -1.536   0.115  -0.099
   83    HB2  LYS  10           2HB      LYS  10  -4.151   0.536  -1.389
   84    HB3  LYS  10           1HB      LYS  10  -2.809   0.410  -2.525
   85    HG2  LYS  10           2HG      LYS  10  -3.708  -1.816  -2.104
   86    HG3  LYS  10           1HG      LYS  10  -2.104  -1.704  -1.380
   87    HD2  LYS  10           2HD      LYS  10  -3.013  -1.413   0.810
   88    HD3  LYS  10           1HD      LYS  10  -4.634  -1.151   0.167
   89    HE2  LYS  10           2HE      LYS  10  -3.905  -3.531   1.129
   90    HE3  LYS  10           1HE      LYS  10  -4.981  -3.401  -0.263
   91    HZ1  LYS  10           3HZ      LYS  10  -2.075  -3.433  -0.686
   92    HZ2  LYS  10           1HZ      LYS  10  -3.318  -3.954  -1.717
   93    HZ3  LYS  10           2HZ      LYS  10  -2.879  -4.896  -0.372
   94    H    GLU  11           H        GLU  11  -2.960   3.214  -1.070
   95    HA   GLU  11           HA       GLU  11  -0.901   3.901  -2.917
   96    HB2  GLU  11           2HB      GLU  11  -2.979   5.511  -1.433
   97    HB3  GLU  11           1HB      GLU  11  -1.811   6.262  -2.521
   98    HG2  GLU  11           2HG      GLU  11  -2.598   4.960  -4.388
   99    HG3  GLU  11           1HG      GLU  11  -3.607   3.966  -3.339
  100    H    LYS  12           H        LYS  12  -1.496   4.768   0.485
  101    HA   LYS  12           HA       LYS  12   0.804   6.394   0.787
  102    HB2  LYS  12           2HB      LYS  12  -0.972   4.928   2.734
  103    HB3  LYS  12           1HB      LYS  12   0.437   5.842   3.275
  104    HG2  LYS  12           2HG      LYS  12  -0.442   7.860   2.148
  105    HG3  LYS  12           1HG      LYS  12  -1.859   6.948   1.631
  106    HD2  LYS  12           2HD      LYS  12  -2.331   6.459   4.061
  107    HD3  LYS  12           1HD      LYS  12  -1.036   7.582   4.476
  108    HE2  LYS  12           2HE      LYS  12  -3.088   8.832   4.555
  109    HE3  LYS  12           1HE      LYS  12  -2.246   9.327   3.088
  110    HZ1  LYS  12           3HZ      LYS  12  -4.526   7.454   3.328
  111    HZ2  LYS  12           1HZ      LYS  12  -3.590   7.580   1.919
  112    HZ3  LYS  12           2HZ      LYS  12  -4.467   8.923   2.477
  113    H    ILE  13           H        ILE  13   0.214   2.971   1.648
  114    HA   ILE  13           HA       ILE  13   2.769   2.430   2.649
  115    HB   ILE  13           HB       ILE  13   0.501   0.824   1.536
  116   HG12  ILE  13          2HG1      ILE  13   0.901  -0.269   3.873
  117   HG13  ILE  13          1HG1      ILE  13   1.903   1.146   4.186
  118   HG21  ILE  13          1HG2      ILE  13   3.244  -0.242   2.195
  119   HG22  ILE  13          2HG2      ILE  13   2.410  -0.352   0.644
  120   HG23  ILE  13          3HG2      ILE  13   1.808  -1.246   2.038
  121   HD11  ILE  13          3HD1      ILE  13  -0.055   2.585   3.534
  122   HD12  ILE  13          1HD1      ILE  13  -0.330   1.617   4.981
  123   HD13  ILE  13          2HD1      ILE  13  -1.030   1.118   3.442
  124    H    GLY  14           H        GLY  14   1.392   2.042  -0.608
  125    HA2  GLY  14           2HA      GLY  14   3.481   0.799  -1.890
  126    HA3  GLY  14           1HA      GLY  14   2.428   1.977  -2.669
  127    H    LYS  15           H        LYS  15   3.092   4.289  -1.311
  128    HA   LYS  15           HA       LYS  15   5.594   4.934  -2.561
  129    HB2  LYS  15           2HB      LYS  15   3.474   6.401  -1.066
  130    HB3  LYS  15           1HB      LYS  15   5.076   7.136  -1.116
  131    HG2  LYS  15           2HG      LYS  15   3.726   7.930  -3.006
  132    HG3  LYS  15           1HG      LYS  15   5.068   6.949  -3.592
  133    HD2  LYS  15           2HD      LYS  15   3.570   4.994  -3.763
  134    HD3  LYS  15           1HD      LYS  15   2.227   5.972  -3.174
  135    HE2  LYS  15           2HE      LYS  15   2.260   7.363  -5.116
  136    HE3  LYS  15           1HE      LYS  15   3.819   6.719  -5.633
  137    HZ1  LYS  15           3HZ      LYS  15   1.206   5.325  -5.588
  138    HZ2  LYS  15           1HZ      LYS  15   2.679   4.507  -5.784
  139    HZ3  LYS  15           2HZ      LYS  15   2.189   5.657  -6.933
  140    H    GLU  16           H        GLU  16   4.508   4.435   0.768
  141    HA   GLU  16           HA       GLU  16   7.037   5.182   1.917
  142    HB2  GLU  16           2HB      GLU  16   4.599   3.770   3.010
  143    HB3  GLU  16           1HB      GLU  16   6.041   4.072   3.980
  144    HG2  GLU  16           2HG      GLU  16   5.844   6.503   3.439
  145    HG3  GLU  16           1HG      GLU  16   4.337   6.160   2.593
  146    H    PHE  17           H        PHE  17   5.435   2.071   1.162
  147    HA   PHE  17           HA       PHE  17   7.580   0.516   2.233
  148    HB2  PHE  17           2HB      PHE  17   5.996  -1.054   2.019
  149    HB3  PHE  17           1HB      PHE  17   5.024   0.025   1.038
  150    HD1  PHE  17           2HD      PHE  17   5.708   0.264  -1.473
  151    HD2  PHE  17           1HD      PHE  17   6.903  -2.985   1.064
  152    HE1  PHE  17           2HE      PHE  17   6.142  -1.132  -3.470
  153    HE2  PHE  17           1HE      PHE  17   7.335  -4.385  -0.930
  154    HZ   PHE  17           HZ       PHE  17   6.960  -3.461  -3.202
  155    H    LYS  18           H        LYS  18   7.117   2.196  -0.766
  156    HA   LYS  18           HA       LYS  18   8.991   0.647  -2.301
  157    HB2  LYS  18           2HB      LYS  18   7.247   2.057  -3.357
  158    HB3  LYS  18           1HB      LYS  18   8.044   3.494  -2.723
  159    HG2  LYS  18           2HG      LYS  18   8.938   3.378  -4.877
  160    HG3  LYS  18           1HG      LYS  18  10.163   2.515  -3.951
  161    HD2  LYS  18           2HD      LYS  18   9.190   0.368  -4.576
  162    HD3  LYS  18           1HD      LYS  18   7.857   1.181  -5.400
  163    HE2  LYS  18           2HE      LYS  18   9.551   2.284  -6.899
  164    HE3  LYS  18           1HE      LYS  18  10.790   1.271  -6.159
  165    HZ1  LYS  18           3HZ      LYS  18   8.393  -0.060  -7.157
  166    HZ2  LYS  18           1HZ      LYS  18  10.006  -0.585  -7.158
  167    HZ3  LYS  18           2HZ      LYS  18   9.480   0.542  -8.316
  168    H    ARG  19           H        ARG  19   9.168   3.589  -0.335
  169    HA   ARG  19           HA       ARG  19  11.974   3.981  -0.956
  170    HB2  ARG  19           2HB      ARG  19  11.835   5.972   0.309
  171    HB3  ARG  19           1HB      ARG  19  10.279   5.839  -0.504
  172    HG2  ARG  19           2HG      ARG  19   9.443   6.205   1.583
  173    HG3  ARG  19           1HG      ARG  19   9.735   4.482   1.790
  174    HD2  ARG  19           2HD      ARG  19  12.143   5.264   2.501
  175    HD3  ARG  19           1HD      ARG  19  11.352   6.808   2.793
  176    HE   ARG  19           HE       ARG  19  11.319   4.635   4.531
  177   HH11  ARG  19          1HH2      ARG  19   9.000   6.679   2.971
  178   HH12  ARG  19          2HH2      ARG  19   7.748   6.354   4.120
  179   HH21  ARG  19          1HH1      ARG  19   9.690   4.222   6.037
  180   HH22  ARG  19          2HH1      ARG  19   8.139   4.969   5.854
  181    H    ILE  20           H        ILE  20  10.098   2.385   1.500
  182    HA   ILE  20           HA       ILE  20  12.287   2.261   3.390
  183    HB   ILE  20           HB       ILE  20   9.539   2.050   3.603
  184   HG12  ILE  20          2HG1      ILE  20  11.636   1.086   5.557
  185   HG13  ILE  20          1HG1      ILE  20  11.145   2.762   5.322
  186   HG21  ILE  20          1HG2      ILE  20  10.687  -0.692   4.188
  187   HG22  ILE  20          2HG2      ILE  20   9.700  -0.320   2.774
  188   HG23  ILE  20          3HG2      ILE  20   9.014  -0.172   4.390
  189   HD11  ILE  20          3HD1      ILE  20   9.431   0.480   6.333
  190   HD12  ILE  20          1HD1      ILE  20   8.783   2.058   5.886
  191   HD13  ILE  20          2HD1      ILE  20   9.922   1.919   7.225
  192    H    VAL  21           H        VAL  21  10.792   0.194   0.979
  193    HA   VAL  21           HA       VAL  21  12.444  -2.095   1.665
  194    HB   VAL  21           HB       VAL  21  10.040  -2.165   0.764
  195   HG11  VAL  21          1HG1      VAL  21  11.232  -2.129  -1.976
  196   HG12  VAL  21          2HG1      VAL  21  10.923  -0.572  -1.209
  197   HG13  VAL  21          3HG1      VAL  21   9.602  -1.713  -1.453
  198   HG21  VAL  21          3HG2      VAL  21  10.689  -4.167  -0.768
  199   HG22  VAL  21          1HG2      VAL  21  11.159  -4.232   0.930
  200   HG23  VAL  21          2HG2      VAL  21  12.346  -3.797  -0.297
  201    H    GLN  22           H        GLN  22  13.911   0.257   0.992
  202    HA   GLN  22           HA       GLN  22  14.811   0.611  -1.558
  203    HB2  GLN  22           2HB      GLN  22  16.658   0.386   0.825
  204    HB3  GLN  22           1HB      GLN  22  16.910   1.339  -0.639
  205    HG2  GLN  22           2HG      GLN  22  14.832   2.631  -0.075
  206    HG3  GLN  22           1HG      GLN  22  14.769   1.765   1.459
  207   HE21  GLN  22          1HE2      GLN  22  15.303   3.478   2.893
  208   HE22  GLN  22          2HE2      GLN  22  16.772   4.328   2.823
  209    H    ARG  23           H        ARG  23  14.663  -1.317  -2.752
  210    HA   ARG  23           HA       ARG  23  15.682  -3.798  -2.268
  211    HB2  ARG  23           2HB      ARG  23  15.827  -2.250  -4.866
  212    HB3  ARG  23           1HB      ARG  23  16.054  -3.993  -4.721
  213    HG2  ARG  23           2HG      ARG  23  13.576  -2.765  -3.553
  214    HG3  ARG  23           1HG      ARG  23  13.666  -2.992  -5.299
  215    HD2  ARG  23           2HD      ARG  23  14.058  -5.151  -3.207
  216    HD3  ARG  23           1HD      ARG  23  12.642  -4.954  -4.235
  217    HE   ARG  23           HE       ARG  23  14.712  -5.151  -6.011
  218   HH11  ARG  23          1HH2      ARG  23  13.567  -7.012  -3.328
  219   HH12  ARG  23          2HH2      ARG  23  14.111  -8.526  -3.968
  220   HH21  ARG  23          1HH1      ARG  23  15.430  -7.135  -6.856
  221   HH22  ARG  23          2HH1      ARG  23  15.165  -8.596  -5.965
  Start of MODEL    7
    1    H1   LEU   1           1HT      LEU   1 -17.714   2.945   4.104
    2    H2   LEU   1           2HT      LEU   1 -17.324   1.570   5.024
    3    H3   LEU   1           3HT      LEU   1 -18.688   1.560   4.011
    4    HA   LEU   1           HA       LEU   1 -17.227   0.411   2.710
    5    HB2  LEU   1           2HB      LEU   1 -16.649   3.326   2.099
    6    HB3  LEU   1           1HB      LEU   1 -16.370   1.980   0.995
    7    HG   LEU   1           HG       LEU   1 -19.101   2.411   2.196
    8   HD11  LEU   1          2HD1      LEU   1 -18.507   4.567   1.211
    9   HD12  LEU   1          3HD1      LEU   1 -19.673   3.749   0.172
   10   HD13  LEU   1          1HD1      LEU   1 -17.965   3.772  -0.265
   11   HD21  LEU   1          1HD2      LEU   1 -18.779   0.325   1.014
   12   HD22  LEU   1          2HD2      LEU   1 -18.021   1.151  -0.346
   13   HD23  LEU   1          3HD2      LEU   1 -19.739   1.375  -0.024
   14    H    LEU   2           H        LEU   2 -15.614  -0.673   3.754
   15    HA   LEU   2           HA       LEU   2 -13.335   0.682   4.903
   16    HB2  LEU   2           2HB      LEU   2 -14.161  -1.388   5.891
   17    HB3  LEU   2           1HB      LEU   2 -13.843  -2.253   4.393
   18    HG   LEU   2           HG       LEU   2 -11.527  -0.734   5.251
   19   HD11  LEU   2          1HD1      LEU   2 -10.966  -2.198   7.200
   20   HD12  LEU   2          2HD1      LEU   2 -12.611  -2.831   7.149
   21   HD13  LEU   2          3HD1      LEU   2 -12.333  -1.128   7.513
   22   HD21  LEU   2          3HD2      LEU   2 -10.392  -2.832   4.858
   23   HD22  LEU   2          1HD2      LEU   2 -11.584  -2.577   3.582
   24   HD23  LEU   2          2HD2      LEU   2 -11.924  -3.706   4.895
   25    H    GLY   3           H        GLY   3 -13.739  -1.673   2.321
   26    HA2  GLY   3           2HA      GLY   3 -11.310  -1.958   1.238
   27    HA3  GLY   3           1HA      GLY   3 -12.720  -1.734   0.204
   28    H    ASP   4           H        ASP   4 -13.257   0.987   1.044
   29    HA   ASP   4           HA       ASP   4 -11.620   2.406  -0.784
   30    HB2  ASP   4           2HB      ASP   4 -13.961   3.038   0.039
   31    HB3  ASP   4           1HB      ASP   4 -13.168   3.657   1.487
   32    H    PHE   5           H        PHE   5 -11.610   2.066   2.733
   33    HA   PHE   5           HA       PHE   5  -9.590   3.884   3.388
   34    HB2  PHE   5           2HB      PHE   5 -10.248   3.090   5.392
   35    HB3  PHE   5           1HB      PHE   5 -10.967   1.670   4.666
   36    HD1  PHE   5           2HD      PHE   5  -9.553  -0.380   4.268
   37    HD2  PHE   5           1HD      PHE   5  -8.103   3.042   6.421
   38    HE1  PHE   5           2HE      PHE   5  -7.713  -1.744   5.211
   39    HE2  PHE   5           1HE      PHE   5  -6.261   1.675   7.360
   40    HZ   PHE   5           HZ       PHE   5  -6.066  -0.721   6.754
   41    H    PHE   6           H        PHE   6  -9.393   0.433   2.605
   42    HA   PHE   6           HA       PHE   6  -6.643   0.102   2.790
   43    HB2  PHE   6           2HB      PHE   6  -8.852  -1.258   1.376
   44    HB3  PHE   6           1HB      PHE   6  -7.260  -1.523   0.675
   45    HD1  PHE   6           1HD      PHE   6  -5.401  -1.671   2.841
   46    HD2  PHE   6           2HD      PHE   6  -9.474  -3.034   2.729
   47    HE1  PHE   6           1HE      PHE   6  -4.890  -3.340   4.598
   48    HE2  PHE   6           2HE      PHE   6  -8.962  -4.703   4.490
   49    HZ   PHE   6           HZ       PHE   6  -6.670  -4.856   5.426
   50    H    ARG   7           H        ARG   7  -8.552   1.153  -0.030
   51    HA   ARG   7           HA       ARG   7  -6.522   1.346  -1.906
   52    HB2  ARG   7           2HB      ARG   7  -9.168   2.565  -1.516
   53    HB3  ARG   7           1HB      ARG   7  -8.066   3.585  -2.437
   54    HG2  ARG   7           2HG      ARG   7  -9.229   2.160  -4.008
   55    HG3  ARG   7           1HG      ARG   7  -7.565   1.605  -3.906
   56    HD2  ARG   7           2HD      ARG   7  -8.240  -0.431  -3.233
   57    HD3  ARG   7           1HD      ARG   7  -9.100   0.264  -1.868
   58    HE   ARG   7           HE       ARG   7 -10.317  -0.935  -4.038
   59   HH11  ARG   7          1HH2      ARG   7 -10.397   2.219  -2.597
   60   HH12  ARG   7          2HH2      ARG   7 -11.996   2.575  -3.155
   61   HH21  ARG   7          1HH1      ARG   7 -12.405  -0.466  -4.759
   62   HH22  ARG   7          2HH1      ARG   7 -13.130   1.060  -4.377
   63    H    LYS   8           H        LYS   8  -7.426   3.618   0.649
   64    HA   LYS   8           HA       LYS   8  -5.512   5.614  -0.110
   65    HB2  LYS   8           2HB      LYS   8  -7.610   5.970   1.302
   66    HB3  LYS   8           1HB      LYS   8  -6.713   5.244   2.636
   67    HG2  LYS   8           2HG      LYS   8  -4.862   7.022   1.865
   68    HG3  LYS   8           1HG      LYS   8  -6.288   7.871   1.271
   69    HD2  LYS   8           2HD      LYS   8  -6.184   8.692   3.444
   70    HD3  LYS   8           1HD      LYS   8  -7.244   7.303   3.677
   71    HE2  LYS   8           2HE      LYS   8  -5.326   5.932   4.373
   72    HE3  LYS   8           1HE      LYS   8  -4.239   7.294   4.098
   73    HZ1  LYS   8           3HZ      LYS   8  -5.225   8.505   5.835
   74    HZ2  LYS   8           1HZ      LYS   8  -4.996   6.943   6.454
   75    HZ3  LYS   8           2HZ      LYS   8  -6.542   7.438   5.954
   76    H    SER   9           H        SER   9  -5.581   2.941   2.210
   77    HA   SER   9           HA       SER   9  -3.034   3.545   3.367
   78    HB2  SER   9           2HB      SER   9  -4.887   2.149   4.417
   79    HB3  SER   9           1HB      SER   9  -4.395   0.849   3.337
   80    HG   SER   9           HG       SER   9  -2.215   1.260   4.231
   81    H    LYS  10           H        LYS  10  -4.124   1.066   1.030
   82    HA   LYS  10           HA       LYS  10  -1.706  -0.165   0.524
   83    HB2  LYS  10           2HB      LYS  10  -4.243   0.172  -0.928
   84    HB3  LYS  10           1HB      LYS  10  -2.859  -0.082  -1.987
   85    HG2  LYS  10           2HG      LYS  10  -3.778  -2.249  -1.426
   86    HG3  LYS  10           1HG      LYS  10  -2.242  -2.080  -0.577
   87    HD2  LYS  10           2HD      LYS  10  -3.415  -1.441   1.473
   88    HD3  LYS  10           1HD      LYS  10  -4.961  -1.514   0.629
   89    HE2  LYS  10           2HE      LYS  10  -3.142  -3.914   0.680
   90    HE3  LYS  10           1HE      LYS  10  -4.221  -3.581   2.034
   91    HZ1  LYS  10           3HZ      LYS  10  -4.995  -3.966  -0.805
   92    HZ2  LYS  10           1HZ      LYS  10  -6.066  -3.479   0.418
   93    HZ3  LYS  10           2HZ      LYS  10  -5.330  -5.008   0.495
   94    H    GLU  11           H        GLU  11  -3.002   2.838  -0.853
   95    HA   GLU  11           HA       GLU  11  -0.883   3.308  -2.675
   96    HB2  GLU  11           2HB      GLU  11  -2.876   5.123  -1.314
   97    HB3  GLU  11           1HB      GLU  11  -1.657   5.742  -2.428
   98    HG2  GLU  11           2HG      GLU  11  -2.524   4.485  -4.247
   99    HG3  GLU  11           1HG      GLU  11  -3.489   3.462  -3.184
  100    H    LYS  12           H        LYS  12  -1.402   4.138   0.716
  101    HA   LYS  12           HA       LYS  12   0.811   5.824   1.085
  102    HB2  LYS  12           2HB      LYS  12  -1.225   4.990   2.669
  103    HB3  LYS  12           1HB      LYS  12   0.085   4.009   3.321
  104    HG2  LYS  12           2HG      LYS  12   1.441   6.005   3.703
  105    HG3  LYS  12           1HG      LYS  12   0.212   7.016   2.945
  106    HD2  LYS  12           2HD      LYS  12  -0.141   7.221   5.299
  107    HD3  LYS  12           1HD      LYS  12  -1.414   6.155   4.705
  108    HE2  LYS  12           2HE      LYS  12   1.165   4.953   5.677
  109    HE3  LYS  12           1HE      LYS  12  -0.041   5.479   6.849
  110    HZ1  LYS  12           3HZ      LYS  12  -1.027   3.541   6.488
  111    HZ2  LYS  12           1HZ      LYS  12  -0.058   3.198   5.139
  112    HZ3  LYS  12           2HZ      LYS  12  -1.469   4.125   4.954
  113    H    ILE  13           H        ILE  13   0.498   2.288   1.319
  114    HA   ILE  13           HA       ILE  13   3.098   1.753   2.231
  115    HB   ILE  13           HB       ILE  13   1.000   0.188   0.744
  116   HG12  ILE  13          2HG1      ILE  13   1.206  -1.193   2.891
  117   HG13  ILE  13          1HG1      ILE  13   2.196   0.120   3.524
  118   HG21  ILE  13          1HG2      ILE  13   2.471  -1.810   1.093
  119   HG22  ILE  13          2HG2      ILE  13   3.778  -0.706   1.510
  120   HG23  ILE  13          3HG2      ILE  13   3.081  -0.678  -0.111
  121   HD11  ILE  13          3HD1      ILE  13  -0.181   0.347   4.183
  122   HD12  ILE  13          1HD1      ILE  13  -0.633   0.404   2.482
  123   HD13  ILE  13          2HD1      ILE  13   0.346   1.695   3.180
  124    H    GLY  14           H        GLY  14   1.689   1.990  -1.024
  125    HA2  GLY  14           2HA      GLY  14   3.825   1.170  -2.568
  126    HA3  GLY  14           1HA      GLY  14   2.690   2.427  -3.060
  127    H    LYS  15           H        LYS  15   3.245   4.378  -1.159
  128    HA   LYS  15           HA       LYS  15   5.661   5.496  -2.240
  129    HB2  LYS  15           2HB      LYS  15   3.547   6.381  -0.313
  130    HB3  LYS  15           1HB      LYS  15   5.091   7.233  -0.310
  131    HG2  LYS  15           2HG      LYS  15   3.493   8.314  -1.848
  132    HG3  LYS  15           1HG      LYS  15   4.869   7.651  -2.732
  133    HD2  LYS  15           2HD      LYS  15   3.607   5.764  -3.475
  134    HD3  LYS  15           1HD      LYS  15   2.296   6.109  -2.346
  135    HE2  LYS  15           2HE      LYS  15   1.760   8.171  -3.550
  136    HE3  LYS  15           1HE      LYS  15   3.116   7.907  -4.646
  137    HZ1  LYS  15           3HZ      LYS  15   1.907   6.522  -5.861
  138    HZ2  LYS  15           1HZ      LYS  15   0.549   6.991  -4.961
  139    HZ3  LYS  15           2HZ      LYS  15   1.437   5.618  -4.501
  140    H    GLU  16           H        GLU  16   4.652   4.545   1.050
  141    HA   GLU  16           HA       GLU  16   7.165   4.918   2.266
  142    HB2  GLU  16           2HB      GLU  16   4.803   3.165   2.946
  143    HB3  GLU  16           1HB      GLU  16   6.251   3.219   3.951
  144    HG2  GLU  16           2HG      GLU  16   4.771   5.725   3.142
  145    HG3  GLU  16           1HG      GLU  16   4.353   4.822   4.596
  146    H    PHE  17           H        PHE  17   5.692   2.128   0.658
  147    HA   PHE  17           HA       PHE  17   7.637   0.204   1.248
  148    HB2  PHE  17           2HB      PHE  17   5.464  -0.292   0.194
  149    HB3  PHE  17           1HB      PHE  17   6.014   0.484  -1.284
  150    HD1  PHE  17           2HD      PHE  17   7.106  -2.120   1.173
  151    HD2  PHE  17           1HD      PHE  17   6.980  -0.860  -2.929
  152    HE1  PHE  17           2HE      PHE  17   8.152  -4.258   0.489
  153    HE2  PHE  17           1HE      PHE  17   8.023  -3.000  -3.618
  154    HZ   PHE  17           HZ       PHE  17   8.614  -4.701  -1.911
  155    H    LYS  18           H        LYS  18   7.415   2.466  -1.500
  156    HA   LYS  18           HA       LYS  18   9.739   1.588  -2.826
  157    HB2  LYS  18           2HB      LYS  18   7.764   3.419  -3.347
  158    HB3  LYS  18           1HB      LYS  18   9.146   4.471  -3.044
  159    HG2  LYS  18           2HG      LYS  18   9.345   4.037  -5.340
  160    HG3  LYS  18           1HG      LYS  18  10.421   2.828  -4.640
  161    HD2  LYS  18           2HD      LYS  18   8.342   1.279  -4.628
  162    HD3  LYS  18           1HD      LYS  18   7.634   2.451  -5.739
  163    HE2  LYS  18           2HE      LYS  18   9.499   2.156  -7.292
  164    HE3  LYS  18           1HE      LYS  18  10.293   1.057  -6.165
  165    HZ1  LYS  18           3HZ      LYS  18   8.275   0.499  -8.063
  166    HZ2  LYS  18           1HZ      LYS  18   7.716   0.110  -6.509
  167    HZ3  LYS  18           2HZ      LYS  18   9.155  -0.582  -7.089
  168    H    ARG  19           H        ARG  19   9.269   3.744  -0.114
  169    HA   ARG  19           HA       ARG  19  12.009   4.719  -0.164
  170    HB2  ARG  19           2HB      ARG  19   9.819   5.028   1.908
  171    HB3  ARG  19           1HB      ARG  19  11.368   5.871   1.926
  172    HG2  ARG  19           2HG      ARG  19   9.805   6.080  -0.599
  173    HG3  ARG  19           1HG      ARG  19   9.129   6.915   0.799
  174    HD2  ARG  19           2HD      ARG  19  12.001   7.227  -0.110
  175    HD3  ARG  19           1HD      ARG  19  10.701   8.321  -0.579
  176    HE   ARG  19           HE       ARG  19  10.551   8.267   2.150
  177   HH11  ARG  19          1HH2      ARG  19  13.042   8.852  -0.179
  178   HH12  ARG  19          2HH2      ARG  19  13.919   9.953   0.832
  179   HH21  ARG  19          1HH1      ARG  19  11.694   9.710   3.480
  180   HH22  ARG  19          2HH1      ARG  19  13.156  10.439   2.901
  181    H    ILE  20           H        ILE  20  10.008   2.662   1.941
  182    HA   ILE  20           HA       ILE  20  12.060   1.933   3.722
  183    HB   ILE  20           HB       ILE  20   9.388   1.636   3.712
  184   HG12  ILE  20          2HG1      ILE  20  11.292  -0.230   5.152
  185   HG13  ILE  20          1HG1      ILE  20  10.943   1.432   5.629
  186   HG21  ILE  20          1HG2      ILE  20   8.677  -0.586   3.316
  187   HG22  ILE  20          2HG2      ILE  20  10.331  -1.191   3.227
  188   HG23  ILE  20          3HG2      ILE  20   9.685  -0.194   1.926
  189   HD11  ILE  20          3HD1      ILE  20   9.527  -0.014   6.949
  190   HD12  ILE  20          1HD1      ILE  20   8.988  -0.876   5.509
  191   HD13  ILE  20          2HD1      ILE  20   8.506   0.801   5.765
  192    H    VAL  21           H        VAL  21  11.010   0.607   0.647
  193    HA   VAL  21           HA       VAL  21  12.845  -1.653   0.894
  194    HB   VAL  21           HB       VAL  21  10.429  -1.693  -0.107
  195   HG11  VAL  21          1HG1      VAL  21  11.824  -1.177  -2.703
  196   HG12  VAL  21          2HG1      VAL  21  11.293   0.215  -1.762
  197   HG13  VAL  21          3HG1      VAL  21  10.120  -0.992  -2.290
  198   HG21  VAL  21          3HG2      VAL  21  11.086  -3.542  -1.593
  199   HG22  VAL  21          1HG2      VAL  21  12.000  -3.603  -0.086
  200   HG23  VAL  21          2HG2      VAL  21  12.760  -2.988  -1.554
  201    H    GLN  22           H        GLN  22  13.447   1.309   0.475
  202    HA   GLN  22           HA       GLN  22  14.662   2.663  -1.042
  203    HB2  GLN  22           2HB      GLN  22  17.086   1.857  -0.778
  204    HB3  GLN  22           1HB      GLN  22  16.176   2.211   0.691
  205    HG2  GLN  22           2HG      GLN  22  15.701  -0.140   1.036
  206    HG3  GLN  22           1HG      GLN  22  16.426  -0.556  -0.516
  207   HE21  GLN  22          1HE2      GLN  22  18.065   1.964   1.198
  208   HE22  GLN  22          2HE2      GLN  22  19.348   1.019   1.784
  209    H    ARG  23           H        ARG  23  13.275   0.730  -2.682
  210    HA   ARG  23           HA       ARG  23  14.379   1.059  -5.132
  211    HB2  ARG  23           2HB      ARG  23  15.500  -1.147  -5.620
  212    HB3  ARG  23           1HB      ARG  23  16.423  -0.071  -4.580
  213    HG2  ARG  23           2HG      ARG  23  15.936  -1.335  -2.644
  214    HG3  ARG  23           1HG      ARG  23  14.576  -2.153  -3.416
  215    HD2  ARG  23           2HD      ARG  23  17.495  -2.498  -4.155
  216    HD3  ARG  23           1HD      ARG  23  16.528  -3.650  -3.239
  217    HE   ARG  23           HE       ARG  23  15.108  -3.310  -5.547
  218   HH11  ARG  23          1HH2      ARG  23  18.386  -4.083  -4.757
  219   HH12  ARG  23          2HH2      ARG  23  18.639  -5.063  -6.163
  220   HH21  ARG  23          1HH1      ARG  23  15.431  -4.593  -7.394
  221   HH22  ARG  23          2HH1      ARG  23  16.965  -5.352  -7.657
  Start of MODEL    8
    1    H1   LEU   1           1HT      LEU   1 -17.640   2.756   2.100
    2    H2   LEU   1           2HT      LEU   1 -16.875   2.578   3.607
    3    H3   LEU   1           3HT      LEU   1 -18.383   1.849   3.325
    4    HA   LEU   1           HA       LEU   1 -17.308   0.009   2.768
    5    HB2  LEU   1           2HB      LEU   1 -16.584   1.873   0.509
    6    HB3  LEU   1           1HB      LEU   1 -16.034   0.197   0.511
    7    HG   LEU   1           HG       LEU   1 -18.326  -0.607   0.639
    8   HD11  LEU   1          2HD1      LEU   1 -20.174   1.168   0.433
    9   HD12  LEU   1          3HD1      LEU   1 -18.953   2.333   0.943
   10   HD13  LEU   1          1HD1      LEU   1 -19.406   1.007   2.011
   11   HD21  LEU   1          1HD2      LEU   1 -17.394  -0.004  -1.597
   12   HD22  LEU   1          2HD2      LEU   1 -18.108   1.600  -1.434
   13   HD23  LEU   1          3HD2      LEU   1 -19.147   0.178  -1.530
   14    H    LEU   2           H        LEU   2 -15.548  -1.040   3.501
   15    HA   LEU   2           HA       LEU   2 -13.372   0.413   4.645
   16    HB2  LEU   2           2HB      LEU   2 -14.132  -1.705   5.588
   17    HB3  LEU   2           1HB      LEU   2 -13.673  -2.546   4.112
   18    HG   LEU   2           HG       LEU   2 -11.504  -0.895   5.084
   19   HD11  LEU   2          1HD1      LEU   2 -12.580  -3.014   6.962
   20   HD12  LEU   2          2HD1      LEU   2 -12.415  -1.293   7.306
   21   HD13  LEU   2          3HD1      LEU   2 -10.977  -2.291   7.092
   22   HD21  LEU   2          3HD2      LEU   2 -11.393  -2.787   3.455
   23   HD22  LEU   2          1HD2      LEU   2 -11.699  -3.893   4.794
   24   HD23  LEU   2          2HD2      LEU   2 -10.232  -2.914   4.776
   25    H    GLY   3           H        GLY   3 -13.493  -1.958   2.045
   26    HA2  GLY   3           2HA      GLY   3 -10.992  -2.090   1.101
   27    HA3  GLY   3           1HA      GLY   3 -12.353  -1.954  -0.011
   28    H    ASP   4           H        ASP   4 -13.106   0.724   0.794
   29    HA   ASP   4           HA       ASP   4 -11.477   2.253  -0.944
   30    HB2  ASP   4           2HB      ASP   4 -13.868   2.770  -0.270
   31    HB3  ASP   4           1HB      ASP   4 -13.229   3.342   1.270
   32    H    PHE   5           H        PHE   5 -11.576   1.854   2.563
   33    HA   PHE   5           HA       PHE   5  -9.687   3.789   3.305
   34    HB2  PHE   5           2HB      PHE   5 -10.388   2.964   5.283
   35    HB3  PHE   5           1HB      PHE   5 -11.003   1.508   4.534
   36    HD1  PHE   5           2HD      PHE   5  -9.486  -0.471   4.215
   37    HD2  PHE   5           1HD      PHE   5  -8.268   3.034   6.378
   38    HE1  PHE   5           2HE      PHE   5  -7.614  -1.738   5.228
   39    HE2  PHE   5           1HE      PHE   5  -6.394   1.764   7.386
   40    HZ   PHE   5           HZ       PHE   5  -6.067  -0.625   6.811
   41    H    PHE   6           H        PHE   6  -9.286   0.344   2.552
   42    HA   PHE   6           HA       PHE   6  -6.535   0.148   2.856
   43    HB2  PHE   6           2HB      PHE   6  -8.594  -1.302   1.303
   44    HB3  PHE   6           1HB      PHE   6  -6.947  -1.483   0.706
   45    HD1  PHE   6           1HD      PHE   6  -5.205  -1.606   2.927
   46    HD2  PHE   6           2HD      PHE   6  -9.238  -3.060   2.665
   47    HE1  PHE   6           1HE      PHE   6  -4.725  -3.256   4.714
   48    HE2  PHE   6           2HE      PHE   6  -8.758  -4.711   4.455
   49    HZ   PHE   6           HZ       PHE   6  -6.501  -4.809   5.479
   50    H    ARG   7           H        ARG   7  -8.352   1.120  -0.051
   51    HA   ARG   7           HA       ARG   7  -6.245   1.438  -1.816
   52    HB2  ARG   7           2HB      ARG   7  -8.956   2.583  -1.536
   53    HB3  ARG   7           1HB      ARG   7  -7.841   3.553  -2.495
   54    HG2  ARG   7           2HG      ARG   7  -7.310   1.552  -3.866
   55    HG3  ARG   7           1HG      ARG   7  -8.485   0.621  -2.936
   56    HD2  ARG   7           2HD      ARG   7  -9.987   2.792  -3.657
   57    HD3  ARG   7           1HD      ARG   7  -8.928   2.641  -5.055
   58    HE   ARG   7           HE       ARG   7 -11.162   1.102  -4.680
   59   HH11  ARG   7          1HH2      ARG   7  -7.760   0.456  -4.901
   60   HH12  ARG   7          2HH2      ARG   7  -7.974  -1.164  -5.467
   61   HH21  ARG   7          1HH1      ARG   7 -11.432  -1.011  -5.433
   62   HH22  ARG   7          2HH1      ARG   7 -10.045  -1.993  -5.771
   63    H    LYS   8           H        LYS   8  -7.419   3.690   0.660
   64    HA   LYS   8           HA       LYS   8  -5.624   5.798  -0.017
   65    HB2  LYS   8           2HB      LYS   8  -7.281   5.141   2.408
   66    HB3  LYS   8           1HB      LYS   8  -6.136   6.481   2.441
   67    HG2  LYS   8           2HG      LYS   8  -7.256   7.632   0.700
   68    HG3  LYS   8           1HG      LYS   8  -8.165   6.196   0.223
   69    HD2  LYS   8           2HD      LYS   8  -9.608   6.337   2.069
   70    HD3  LYS   8           1HD      LYS   8  -8.489   7.343   2.989
   71    HE2  LYS   8           2HE      LYS   8  -9.735   8.309   0.413
   72    HE3  LYS   8           1HE      LYS   8 -10.538   8.521   1.968
   73    HZ1  LYS   8           3HZ      LYS   8  -7.807   9.473   1.290
   74    HZ2  LYS   8           1HZ      LYS   8  -8.586   9.683   2.782
   75    HZ3  LYS   8           2HZ      LYS   8  -9.197  10.445   1.392
   76    H    SER   9           H        SER   9  -5.516   3.195   2.408
   77    HA   SER   9           HA       SER   9  -2.941   3.964   3.407
   78    HB2  SER   9           2HB      SER   9  -4.723   2.593   4.629
   79    HB3  SER   9           1HB      SER   9  -4.187   1.227   3.653
   80    HG   SER   9           HG       SER   9  -1.988   2.078   4.473
   81    H    LYS  10           H        LYS  10  -4.065   1.297   1.313
   82    HA   LYS  10           HA       LYS  10  -1.643   0.081   0.777
   83    HB2  LYS  10           2HB      LYS  10  -4.127   0.469  -0.877
   84    HB3  LYS  10           1HB      LYS  10  -2.722  -0.345  -1.563
   85    HG2  LYS  10           2HG      LYS  10  -4.019  -1.144   1.053
   86    HG3  LYS  10           1HG      LYS  10  -4.412  -1.886  -0.496
   87    HD2  LYS  10           2HD      LYS  10  -1.714  -2.118  -0.573
   88    HD3  LYS  10           1HD      LYS  10  -1.958  -2.163   1.172
   89    HE2  LYS  10           2HE      LYS  10  -3.787  -3.916   0.691
   90    HE3  LYS  10           1HE      LYS  10  -3.075  -4.032  -0.917
   91    HZ1  LYS  10           3HZ      LYS  10  -0.956  -4.120   0.826
   92    HZ2  LYS  10           1HZ      LYS  10  -1.611  -5.424  -0.038
   93    HZ3  LYS  10           2HZ      LYS  10  -2.140  -5.102   1.544
   94    H    GLU  11           H        GLU  11  -2.938   3.101  -0.421
   95    HA   GLU  11           HA       GLU  11  -0.947   3.444  -2.469
   96    HB2  GLU  11           2HB      GLU  11  -3.026   5.213  -1.203
   97    HB3  GLU  11           1HB      GLU  11  -1.784   5.911  -2.243
   98    HG2  GLU  11           2HG      GLU  11  -2.478   4.627  -4.117
   99    HG3  GLU  11           1HG      GLU  11  -3.448   3.546  -3.116
  100    H    LYS  12           H        LYS  12  -1.393   4.442   0.883
  101    HA   LYS  12           HA       LYS  12   0.843   6.172   1.064
  102    HB2  LYS  12           2HB      LYS  12  -0.624   4.553   3.157
  103    HB3  LYS  12           1HB      LYS  12   0.643   5.719   3.538
  104    HG2  LYS  12           2HG      LYS  12  -1.490   6.728   1.736
  105    HG3  LYS  12           1HG      LYS  12  -2.011   6.360   3.380
  106    HD2  LYS  12           2HD      LYS  12  -0.231   7.790   4.287
  107    HD3  LYS  12           1HD      LYS  12   0.343   8.132   2.655
  108    HE2  LYS  12           2HE      LYS  12  -1.533   9.431   2.126
  109    HE3  LYS  12           1HE      LYS  12  -2.527   8.683   3.376
  110    HZ1  LYS  12           3HZ      LYS  12  -1.306  11.060   3.619
  111    HZ2  LYS  12           1HZ      LYS  12  -0.171  10.037   4.357
  112    HZ3  LYS  12           2HZ      LYS  12  -1.772  10.081   4.928
  113    H    ILE  13           H        ILE  13   0.443   2.684   1.621
  114    HA   ILE  13           HA       ILE  13   3.068   2.227   2.574
  115    HB   ILE  13           HB       ILE  13   0.888   0.498   1.418
  116   HG12  ILE  13          2HG1      ILE  13   1.182  -0.524   3.777
  117   HG13  ILE  13          1HG1      ILE  13   2.125   0.920   4.146
  118   HG21  ILE  13          1HG2      ILE  13   2.350  -1.441   2.085
  119   HG22  ILE  13          2HG2      ILE  13   3.681  -0.296   2.231
  120   HG23  ILE  13          3HG2      ILE  13   2.907  -0.556   0.667
  121   HD11  ILE  13          3HD1      ILE  13  -0.717   0.919   3.097
  122   HD12  ILE  13          1HD1      ILE  13   0.216   2.339   3.572
  123   HD13  ILE  13          2HD1      ILE  13  -0.267   1.154   4.784
  124    H    GLY  14           H        GLY  14   1.524   2.005  -0.621
  125    HA2  GLY  14           2HA      GLY  14   3.557   0.871  -2.098
  126    HA3  GLY  14           1HA      GLY  14   2.439   2.073  -2.738
  127    H    LYS  15           H        LYS  15   3.129   4.303  -1.272
  128    HA   LYS  15           HA       LYS  15   5.542   5.108  -2.602
  129    HB2  LYS  15           2HB      LYS  15   3.526   6.410  -0.812
  130    HB3  LYS  15           1HB      LYS  15   5.094   7.190  -1.012
  131    HG2  LYS  15           2HG      LYS  15   3.399   7.986  -2.669
  132    HG3  LYS  15           1HG      LYS  15   4.807   7.249  -3.432
  133    HD2  LYS  15           2HD      LYS  15   3.638   5.249  -3.927
  134    HD3  LYS  15           1HD      LYS  15   2.339   5.633  -2.799
  135    HE2  LYS  15           2HE      LYS  15   2.910   7.409  -5.167
  136    HE3  LYS  15           1HE      LYS  15   1.880   5.987  -5.323
  137    HZ1  LYS  15           3HZ      LYS  15   1.446   8.047  -3.242
  138    HZ2  LYS  15           1HZ      LYS  15   0.377   6.831  -3.748
  139    HZ3  LYS  15           2HZ      LYS  15   0.727   8.137  -4.779
  140    H    GLU  16           H        GLU  16   4.623   4.745   0.828
  141    HA   GLU  16           HA       GLU  16   7.183   5.272   1.887
  142    HB2  GLU  16           2HB      GLU  16   4.847   3.664   2.929
  143    HB3  GLU  16           1HB      GLU  16   6.320   3.916   3.864
  144    HG2  GLU  16           2HG      GLU  16   6.019   6.383   3.588
  145    HG3  GLU  16           1HG      GLU  16   4.478   6.070   2.787
  146    H    PHE  17           H        PHE  17   5.602   2.276   0.848
  147    HA   PHE  17           HA       PHE  17   7.550   0.436   1.649
  148    HB2  PHE  17           2HB      PHE  17   5.319  -0.165   0.776
  149    HB3  PHE  17           1HB      PHE  17   5.815   0.351  -0.831
  150    HD1  PHE  17           1HD      PHE  17   6.999  -1.834   1.964
  151    HD2  PHE  17           2HD      PHE  17   6.640  -1.282  -2.277
  152    HE1  PHE  17           1HE      PHE  17   7.962  -4.086   1.596
  153    HE2  PHE  17           2HE      PHE  17   7.605  -3.534  -2.651
  154    HZ   PHE  17           HZ       PHE  17   8.270  -4.939  -0.715
  155    H    LYS  18           H        LYS  18   7.198   2.118  -1.483
  156    HA   LYS  18           HA       LYS  18   9.410   1.033  -2.767
  157    HB2  LYS  18           2HB      LYS  18   7.512   2.887  -3.403
  158    HB3  LYS  18           1HB      LYS  18   8.944   3.907  -3.281
  159    HG2  LYS  18           2HG      LYS  18   9.041   3.223  -5.513
  160    HG3  LYS  18           1HG      LYS  18  10.074   2.027  -4.732
  161    HD2  LYS  18           2HD      LYS  18   8.242   0.423  -4.661
  162    HD3  LYS  18           1HD      LYS  18   7.121   1.626  -5.297
  163    HE2  LYS  18           2HE      LYS  18   9.608   0.834  -6.812
  164    HE3  LYS  18           1HE      LYS  18   8.099  -0.062  -6.980
  165    HZ1  LYS  18           3HZ      LYS  18   6.988   1.951  -7.649
  166    HZ2  LYS  18           1HZ      LYS  18   8.333   1.693  -8.649
  167    HZ3  LYS  18           2HZ      LYS  18   8.404   2.860  -7.417
  168    H    ARG  19           H        ARG  19   9.270   3.503  -0.292
  169    HA   ARG  19           HA       ARG  19  12.091   4.179  -0.660
  170    HB2  ARG  19           2HB      ARG  19  11.581   6.119   0.378
  171    HB3  ARG  19           1HB      ARG  19   9.897   5.628   0.219
  172    HG2  ARG  19           2HG      ARG  19  10.157   4.422   2.445
  173    HG3  ARG  19           1HG      ARG  19  11.717   5.229   2.606
  174    HD2  ARG  19           2HD      ARG  19  10.077   7.325   1.934
  175    HD3  ARG  19           1HD      ARG  19   8.987   6.327   2.887
  176    HE   ARG  19           HE       ARG  19  10.832   8.016   3.988
  177   HH11  ARG  19          1HH2      ARG  19  10.346   4.581   4.025
  178   HH12  ARG  19          2HH2      ARG  19  11.140   4.356   5.544
  179   HH21  ARG  19          1HH1      ARG  19  11.858   7.715   5.979
  180   HH22  ARG  19          2HH1      ARG  19  11.990   6.124   6.651
  181    H    ILE  20           H        ILE  20  10.019   2.290   1.415
  182    HA   ILE  20           HA       ILE  20  11.974   1.866   3.467
  183    HB   ILE  20           HB       ILE  20   9.252   1.535   3.284
  184   HG12  ILE  20          2HG1      ILE  20  11.115   0.207   5.268
  185   HG13  ILE  20          1HG1      ILE  20  10.619   1.899   5.307
  186   HG21  ILE  20          1HG2      ILE  20  10.423  -1.252   3.465
  187   HG22  ILE  20          2HG2      ILE  20   9.633  -0.615   2.023
  188   HG23  ILE  20          3HG2      ILE  20   8.720  -0.802   3.517
  189   HD11  ILE  20          3HD1      ILE  20   8.221   1.104   5.394
  190   HD12  ILE  20          1HD1      ILE  20   9.175   0.702   6.823
  191   HD13  ILE  20          2HD1      ILE  20   8.841  -0.533   5.608
  192    H    VAL  21           H        VAL  21  10.946   0.172   0.565
  193    HA   VAL  21           HA       VAL  21  13.073  -1.838   1.017
  194    HB   VAL  21           HB       VAL  21  10.852  -2.834   0.898
  195   HG11  VAL  21          1HG1      VAL  21   9.996  -2.549  -1.726
  196   HG12  VAL  21          2HG1      VAL  21  10.547  -0.927  -1.321
  197   HG13  VAL  21          3HG1      VAL  21   9.317  -1.710  -0.335
  198   HG21  VAL  21          3HG2      VAL  21  12.981  -3.784  -0.331
  199   HG22  VAL  21          1HG2      VAL  21  12.059  -3.425  -1.791
  200   HG23  VAL  21          2HG2      VAL  21  11.409  -4.539  -0.591
  201    H    GLN  22           H        GLN  22  14.431   0.039   0.190
  202    HA   GLN  22           HA       GLN  22  14.280   0.484  -2.692
  203    HB2  GLN  22           2HB      GLN  22  16.021   1.588  -0.488
  204    HB3  GLN  22           1HB      GLN  22  16.338   1.919  -2.191
  205    HG2  GLN  22           2HG      GLN  22  14.016   2.795  -2.418
  206    HG3  GLN  22           1HG      GLN  22  13.781   2.549  -0.688
  207   HE21  GLN  22          1HE2      GLN  22  13.685   5.161  -2.003
  208   HE22  GLN  22          2HE2      GLN  22  14.963   6.081  -1.367
  209    H    ARG  23           H        ARG  23  14.741  -1.682  -3.384
  210    HA   ARG  23           HA       ARG  23  16.954  -3.215  -2.658
  211    HB2  ARG  23           2HB      ARG  23  15.417  -3.003  -5.245
  212    HB3  ARG  23           1HB      ARG  23  16.737  -4.153  -5.031
  213    HG2  ARG  23           2HG      ARG  23  15.565  -5.042  -3.004
  214    HG3  ARG  23           1HG      ARG  23  14.207  -3.978  -3.371
  215    HD2  ARG  23           2HD      ARG  23  14.611  -5.221  -5.791
  216    HD3  ARG  23           1HD      ARG  23  15.018  -6.509  -4.662
  217    HE   ARG  23           HE       ARG  23  12.446  -5.839  -5.335
  218   HH11  ARG  23          1HH2      ARG  23  14.292  -5.822  -2.398
  219   HH12  ARG  23          2HH2      ARG  23  12.909  -5.998  -1.376
  220   HH21  ARG  23          1HH1      ARG  23  10.643  -6.077  -3.995
  221   HH22  ARG  23          2HH1      ARG  23  10.848  -6.146  -2.276
  Start of MODEL    9
    1    H1   LEU   1           1HT      LEU   1 -17.657   0.993   1.915
    2    H2   LEU   1           2HT      LEU   1 -17.594  -0.035   0.564
    3    H3   LEU   1           3HT      LEU   1 -16.262   0.945   0.952
    4    HA   LEU   1           HA       LEU   1 -17.095  -0.802   3.087
    5    HB2  LEU   1           2HB      LEU   1 -16.921  -1.848   0.423
    6    HB3  LEU   1           1HB      LEU   1 -15.512  -2.417   1.314
    7    HG   LEU   1           HG       LEU   1 -18.319  -2.602   2.435
    8   HD11  LEU   1          2HD1      LEU   1 -18.249  -3.863   0.333
    9   HD12  LEU   1          3HD1      LEU   1 -18.270  -4.975   1.701
   10   HD13  LEU   1          1HD1      LEU   1 -16.762  -4.662   0.843
   11   HD21  LEU   1          1HD2      LEU   1 -17.213  -4.403   3.798
   12   HD22  LEU   1          2HD2      LEU   1 -16.538  -2.799   4.084
   13   HD23  LEU   1          3HD2      LEU   1 -15.673  -3.951   3.067
   14    H    LEU   2           H        LEU   2 -14.971  -1.943   3.815
   15    HA   LEU   2           HA       LEU   2 -13.065   0.013   4.436
   16    HB2  LEU   2           2HB      LEU   2 -13.410  -2.137   5.661
   17    HB3  LEU   2           1HB      LEU   2 -12.552  -2.948   4.354
   18    HG   LEU   2           HG       LEU   2 -10.742  -1.133   4.708
   19   HD11  LEU   2          1HD1      LEU   2 -10.626  -0.501   7.191
   20   HD12  LEU   2          2HD1      LEU   2 -12.323  -0.968   7.285
   21   HD13  LEU   2          3HD1      LEU   2 -11.831   0.357   6.237
   22   HD21  LEU   2          3HD2      LEU   2 -11.203  -3.298   6.753
   23   HD22  LEU   2          1HD2      LEU   2  -9.664  -2.489   6.456
   24   HD23  LEU   2          2HD2      LEU   2 -10.396  -3.484   5.195
   25    H    GLY   3           H        GLY   3 -12.967  -2.567   2.061
   26    HA2  GLY   3           2HA      GLY   3 -10.509  -2.562   1.025
   27    HA3  GLY   3           1HA      GLY   3 -11.910  -2.560  -0.043
   28    H    ASP   4           H        ASP   4 -12.797   0.111   0.688
   29    HA   ASP   4           HA       ASP   4 -11.210   1.634  -1.144
   30    HB2  ASP   4           2HB      ASP   4 -13.705   1.927  -0.641
   31    HB3  ASP   4           1HB      ASP   4 -13.200   2.764   0.826
   32    H    PHE   5           H        PHE   5 -11.522   1.476   2.366
   33    HA   PHE   5           HA       PHE   5  -9.956   3.676   3.100
   34    HB2  PHE   5           2HB      PHE   5 -10.951   2.791   4.962
   35    HB3  PHE   5           1HB      PHE   5 -10.831   1.143   4.374
   36    HD1  PHE   5           1HD      PHE   5  -8.721  -0.156   4.655
   37    HD2  PHE   5           2HD      PHE   5  -9.204   3.793   6.276
   38    HE1  PHE   5           1HE      PHE   5  -6.741  -0.502   6.104
   39    HE2  PHE   5           2HE      PHE   5  -7.221   3.445   7.722
   40    HZ   PHE   5           HZ       PHE   5  -5.988   1.295   7.636
   41    H    PHE   6           H        PHE   6  -8.993   0.278   2.655
   42    HA   PHE   6           HA       PHE   6  -6.260   0.600   3.148
   43    HB2  PHE   6           2HB      PHE   6  -7.935  -1.403   1.725
   44    HB3  PHE   6           1HB      PHE   6  -6.213  -1.411   1.358
   45    HD1  PHE   6           1HD      PHE   6  -4.698  -1.027   3.613
   46    HD2  PHE   6           2HD      PHE   6  -8.596  -2.822   3.437
   47    HE1  PHE   6           1HE      PHE   6  -4.246  -2.209   5.744
   48    HE2  PHE   6           2HE      PHE   6  -8.144  -4.005   5.571
   49    HZ   PHE   6           HZ       PHE   6  -5.973  -3.697   6.724
   50    H    ARG   7           H        ARG   7  -8.068   0.884   0.095
   51    HA   ARG   7           HA       ARG   7  -5.963   1.180  -1.661
   52    HB2  ARG   7           2HB      ARG   7  -7.935   1.156  -2.815
   53    HB3  ARG   7           1HB      ARG   7  -8.796   2.048  -1.566
   54    HG2  ARG   7           2HG      ARG   7  -7.969   4.129  -2.315
   55    HG3  ARG   7           1HG      ARG   7  -6.721   3.376  -3.299
   56    HD2  ARG   7           2HD      ARG   7  -9.703   3.345  -3.785
   57    HD3  ARG   7           1HD      ARG   7  -8.485   4.130  -4.779
   58    HE   ARG   7           HE       ARG   7  -9.386   1.499  -5.075
   59   HH11  ARG   7          1HH2      ARG   7  -6.349   3.148  -4.764
   60   HH12  ARG   7          2HH2      ARG   7  -5.435   1.865  -5.479
   61   HH21  ARG   7          1HH1      ARG   7  -8.190  -0.162  -6.019
   62   HH22  ARG   7          2HH1      ARG   7  -6.474  -0.002  -6.192
   63    H    LYS   8           H        LYS   8  -7.481   3.625   0.421
   64    HA   LYS   8           HA       LYS   8  -5.872   5.789  -0.516
   65    HB2  LYS   8           2HB      LYS   8  -7.292   5.505   2.145
   66    HB3  LYS   8           1HB      LYS   8  -6.738   7.007   1.404
   67    HG2  LYS   8           2HG      LYS   8  -8.295   6.771  -0.422
   68    HG3  LYS   8           1HG      LYS   8  -8.729   5.141   0.091
   69    HD2  LYS   8           2HD      LYS   8 -10.488   6.575   0.861
   70    HD3  LYS   8           1HD      LYS   8  -9.526   6.164   2.280
   71    HE2  LYS   8           2HE      LYS   8  -8.458   8.286   2.305
   72    HE3  LYS   8           1HE      LYS   8  -8.991   8.663   0.668
   73    HZ1  LYS   8           3HZ      LYS   8 -10.896   9.463   1.433
   74    HZ2  LYS   8           1HZ      LYS   8 -10.259   9.350   3.001
   75    HZ3  LYS   8           2HZ      LYS   8 -11.193   8.078   2.370
   76    H    SER   9           H        SER   9  -5.667   3.594   2.271
   77    HA   SER   9           HA       SER   9  -3.269   4.776   3.304
   78    HB2  SER   9           2HB      SER   9  -4.930   3.444   4.655
   79    HB3  SER   9           1HB      SER   9  -4.338   1.999   3.842
   80    HG   SER   9           HG       SER   9  -3.191   3.530   5.816
   81    H    LYS  10           H        LYS  10  -3.952   1.742   1.543
   82    HA   LYS  10           HA       LYS  10  -1.367   0.768   1.349
   83    HB2  LYS  10           2HB      LYS  10  -3.746   0.562  -0.487
   84    HB3  LYS  10           1HB      LYS  10  -2.205  -0.181  -0.917
   85    HG2  LYS  10           2HG      LYS  10  -2.213  -1.393   1.254
   86    HG3  LYS  10           1HG      LYS  10  -3.793  -0.696   1.612
   87    HD2  LYS  10           2HD      LYS  10  -4.736  -1.770  -0.391
   88    HD3  LYS  10           1HD      LYS  10  -3.159  -2.449  -0.775
   89    HE2  LYS  10           2HE      LYS  10  -5.164  -3.423   1.105
   90    HE3  LYS  10           1HE      LYS  10  -3.745  -4.247   0.465
   91    HZ1  LYS  10           3HZ      LYS  10  -2.393  -3.354   2.133
   92    HZ2  LYS  10           1HZ      LYS  10  -3.805  -3.830   2.942
   93    HZ3  LYS  10           2HZ      LYS  10  -3.546  -2.190   2.583
   94    H    GLU  11           H        GLU  11  -2.919   3.374  -0.406
   95    HA   GLU  11           HA       GLU  11  -0.934   3.662  -2.433
   96    HB2  GLU  11           2HB      GLU  11  -3.116   5.399  -1.318
   97    HB3  GLU  11           1HB      GLU  11  -1.898   6.119  -2.371
   98    HG2  GLU  11           2HG      GLU  11  -2.454   4.672  -4.177
   99    HG3  GLU  11           1HG      GLU  11  -3.391   3.605  -3.133
  100    H    LYS  12           H        LYS  12  -1.530   5.395   0.630
  101    HA   LYS  12           HA       LYS  12   0.743   7.025   0.606
  102    HB2  LYS  12           2HB      LYS  12  -0.855   5.820   2.868
  103    HB3  LYS  12           1HB      LYS  12   0.502   6.911   3.153
  104    HG2  LYS  12           2HG      LYS  12  -0.594   8.619   1.724
  105    HG3  LYS  12           1HG      LYS  12  -1.969   7.535   1.509
  106    HD2  LYS  12           2HD      LYS  12  -2.604   7.690   3.775
  107    HD3  LYS  12           1HD      LYS  12  -1.025   8.303   4.268
  108    HE2  LYS  12           2HE      LYS  12  -2.820   9.844   2.389
  109    HE3  LYS  12           1HE      LYS  12  -2.928  10.022   4.140
  110    HZ1  LYS  12           3HZ      LYS  12  -0.336  10.292   3.859
  111    HZ2  LYS  12           1HZ      LYS  12  -1.393  11.610   3.697
  112    HZ3  LYS  12           2HZ      LYS  12  -0.794  10.827   2.313
  113    H    ILE  13           H        ILE  13   0.289   3.734   1.890
  114    HA   ILE  13           HA       ILE  13   2.941   3.418   2.832
  115    HB   ILE  13           HB       ILE  13   0.653   1.577   2.178
  116   HG12  ILE  13          2HG1      ILE  13   1.154   1.017   4.682
  117   HG13  ILE  13          1HG1      ILE  13   2.076   2.518   4.665
  118   HG21  ILE  13          1HG2      ILE  13   2.125  -0.251   3.158
  119   HG22  ILE  13          2HG2      ILE  13   3.484   0.831   2.867
  120   HG23  ILE  13          3HG2      ILE  13   2.507   0.257   1.514
  121   HD11  ILE  13          3HD1      ILE  13  -0.850   2.216   3.926
  122   HD12  ILE  13          1HD1      ILE  13   0.063   3.724   3.865
  123   HD13  ILE  13          2HD1      ILE  13  -0.227   2.932   5.411
  124    H    GLY  14           H        GLY  14   1.302   2.906  -0.234
  125    HA2  GLY  14           2HA      GLY  14   3.081   1.289  -1.595
  126    HA3  GLY  14           1HA      GLY  14   2.148   2.578  -2.356
  127    H    LYS  15           H        LYS  15   3.230   4.800  -1.079
  128    HA   LYS  15           HA       LYS  15   5.652   5.151  -2.568
  129    HB2  LYS  15           2HB      LYS  15   4.048   6.831  -0.664
  130    HB3  LYS  15           1HB      LYS  15   5.675   7.341  -1.114
  131    HG2  LYS  15           2HG      LYS  15   4.000   8.334  -2.625
  132    HG3  LYS  15           1HG      LYS  15   5.053   7.222  -3.502
  133    HD2  LYS  15           2HD      LYS  15   3.386   5.497  -3.495
  134    HD3  LYS  15           1HD      LYS  15   2.383   6.386  -2.348
  135    HE2  LYS  15           2HE      LYS  15   3.086   7.445  -5.095
  136    HE3  LYS  15           1HE      LYS  15   1.617   6.527  -4.761
  137    HZ1  LYS  15           3HZ      LYS  15   0.741   8.196  -3.508
  138    HZ2  LYS  15           1HZ      LYS  15   1.648   9.124  -4.599
  139    HZ3  LYS  15           2HZ      LYS  15   2.255   8.813  -3.043
  140    H    GLU  16           H        GLU  16   4.976   5.247   0.947
  141    HA   GLU  16           HA       GLU  16   7.655   5.318   1.778
  142    HB2  GLU  16           2HB      GLU  16   5.241   5.413   3.048
  143    HB3  GLU  16           1HB      GLU  16   5.778   3.794   3.494
  144    HG2  GLU  16           2HG      GLU  16   7.893   4.704   4.340
  145    HG3  GLU  16           1HG      GLU  16   7.412   6.324   3.838
  146    H    PHE  17           H        PHE  17   5.494   2.634   1.040
  147    HA   PHE  17           HA       PHE  17   7.106   0.497   1.882
  148    HB2  PHE  17           2HB      PHE  17   4.757   0.252   1.238
  149    HB3  PHE  17           1HB      PHE  17   5.160   0.631  -0.431
  150    HD1  PHE  17           2HD      PHE  17   6.180  -1.672   2.327
  151    HD2  PHE  17           1HD      PHE  17   5.588  -1.142  -1.891
  152    HE1  PHE  17           2HE      PHE  17   6.689  -4.068   1.962
  153    HE2  PHE  17           1HE      PHE  17   6.092  -3.539  -2.261
  154    HZ   PHE  17           HZ       PHE  17   6.649  -5.006  -0.337
  155    H    LYS  18           H        LYS  18   6.855   2.063  -1.308
  156    HA   LYS  18           HA       LYS  18   8.620   0.469  -2.719
  157    HB2  LYS  18           2HB      LYS  18   7.182   2.677  -3.309
  158    HB3  LYS  18           1HB      LYS  18   8.794   3.386  -3.244
  159    HG2  LYS  18           2HG      LYS  18   8.713   2.698  -5.467
  160    HG3  LYS  18           1HG      LYS  18   9.446   1.284  -4.713
  161    HD2  LYS  18           2HD      LYS  18   7.264   0.182  -4.586
  162    HD3  LYS  18           1HD      LYS  18   6.480   1.615  -5.252
  163    HE2  LYS  18           2HE      LYS  18   7.763   1.373  -7.333
  164    HE3  LYS  18           1HE      LYS  18   8.586  -0.040  -6.673
  165    HZ1  LYS  18           3HZ      LYS  18   6.522  -0.361  -8.161
  166    HZ2  LYS  18           1HZ      LYS  18   5.646   0.045  -6.768
  167    HZ3  LYS  18           2HZ      LYS  18   6.681  -1.303  -6.756
  168    H    ARG  19           H        ARG  19   9.323   3.121  -0.496
  169    HA   ARG  19           HA       ARG  19  12.168   3.047  -1.039
  170    HB2  ARG  19           2HB      ARG  19  10.772   4.372   1.292
  171    HB3  ARG  19           1HB      ARG  19  12.358   4.757   0.625
  172    HG2  ARG  19           2HG      ARG  19  11.084   5.233  -1.584
  173    HG3  ARG  19           1HG      ARG  19   9.640   5.283  -0.572
  174    HD2  ARG  19           2HD      ARG  19  11.121   6.898   0.913
  175    HD3  ARG  19           1HD      ARG  19  12.004   7.127  -0.593
  176    HE   ARG  19           HE       ARG  19   9.392   7.485  -1.314
  177   HH11  ARG  19          1HH2      ARG  19  11.485   8.771   1.123
  178   HH12  ARG  19          2HH2      ARG  19  10.703  10.315   1.177
  179   HH21  ARG  19          1HH1      ARG  19   8.362   9.511  -1.252
  180   HH22  ARG  19          2HH1      ARG  19   8.937  10.735  -0.168
  181    H    ILE  20           H        ILE  20   9.919   1.649   1.231
  182    HA   ILE  20           HA       ILE  20  11.962   0.737   3.056
  183    HB   ILE  20           HB       ILE  20   9.230   1.200   3.223
  184   HG12  ILE  20          2HG1      ILE  20  10.925  -0.447   5.115
  185   HG13  ILE  20          1HG1      ILE  20  10.952   1.313   5.014
  186   HG21  ILE  20          1HG2      ILE  20   8.180  -0.904   3.805
  187   HG22  ILE  20          2HG2      ILE  20   9.683  -1.782   3.533
  188   HG23  ILE  20          3HG2      ILE  20   8.832  -1.044   2.173
  189   HD11  ILE  20          3HD1      ILE  20   8.410   1.206   5.402
  190   HD12  ILE  20          1HD1      ILE  20   9.443   0.844   6.784
  191   HD13  ILE  20          2HD1      ILE  20   8.678  -0.468   5.889
  192    H    VAL  21           H        VAL  21  10.053  -0.595   0.425
  193    HA   VAL  21           HA       VAL  21  11.126  -3.277   0.827
  194    HB   VAL  21           HB       VAL  21   8.741  -2.770   0.107
  195   HG11  VAL  21          1HG1      VAL  21   9.612  -2.612  -2.719
  196   HG12  VAL  21          2HG1      VAL  21   9.914  -1.157  -1.768
  197   HG13  VAL  21          3HG1      VAL  21   8.279  -1.797  -1.903
  198   HG21  VAL  21          3HG2      VAL  21   8.844  -4.611  -1.708
  199   HG22  VAL  21          1HG2      VAL  21   9.454  -5.015  -0.105
  200   HG23  VAL  21          2HG2      VAL  21  10.580  -4.628  -1.404
  201    H    GLN  22           H        GLN  22  13.254  -1.701   0.434
  202    HA   GLN  22           HA       GLN  22  13.999  -1.294  -2.280
  203    HB2  GLN  22           2HB      GLN  22  15.782  -1.673   0.139
  204    HB3  GLN  22           1HB      GLN  22  16.258  -0.971  -1.406
  205    HG2  GLN  22           2HG      GLN  22  14.032   0.530  -0.756
  206    HG3  GLN  22           1HG      GLN  22  14.759   0.245   0.824
  207   HE21  GLN  22          1HE2      GLN  22  14.867   2.312  -1.843
  208   HE22  GLN  22          2HE2      GLN  22  16.407   2.978  -1.584
  209    H    ARG  23           H        ARG  23  13.060  -3.574  -2.791
  210    HA   ARG  23           HA       ARG  23  13.427  -5.726  -3.509
  211    HB2  ARG  23           2HB      ARG  23  16.267  -4.683  -3.627
  212    HB3  ARG  23           1HB      ARG  23  15.715  -6.186  -4.366
  213    HG2  ARG  23           2HG      ARG  23  13.956  -4.766  -5.576
  214    HG3  ARG  23           1HG      ARG  23  14.889  -3.362  -5.056
  215    HD2  ARG  23           2HD      ARG  23  15.664  -3.956  -7.257
  216    HD3  ARG  23           1HD      ARG  23  16.918  -4.429  -6.113
  217    HE   ARG  23           HE       ARG  23  15.397  -6.685  -6.373
  218   HH11  ARG  23          1HH2      ARG  23  16.981  -4.509  -8.549
  219   HH12  ARG  23          2HH2      ARG  23  17.297  -5.718  -9.748
  220   HH21  ARG  23          1HH1      ARG  23  15.808  -8.277  -7.943
  221   HH22  ARG  23          2HH1      ARG  23  16.632  -7.850  -9.406
  Start of MODEL   10
    1    H1   LEU   1           1HT      LEU   1 -18.684   1.547   4.774
    2    H2   LEU   1           2HT      LEU   1 -17.293   1.677   5.741
    3    H3   LEU   1           3HT      LEU   1 -18.141   0.210   5.662
    4    HA   LEU   1           HA       LEU   1 -17.240  -0.408   3.734
    5    HB2  LEU   1           2HB      LEU   1 -16.783   1.091   1.882
    6    HB3  LEU   1           1HB      LEU   1 -18.371   1.447   2.536
    7    HG   LEU   1           HG       LEU   1 -17.374   3.556   2.158
    8   HD11  LEU   1          2HD1      LEU   1 -17.318   4.572   4.294
    9   HD12  LEU   1          3HD1      LEU   1 -16.741   3.103   5.072
   10   HD13  LEU   1          1HD1      LEU   1 -18.393   3.188   4.462
   11   HD21  LEU   1          1HD2      LEU   1 -14.930   2.211   2.459
   12   HD22  LEU   1          2HD2      LEU   1 -14.955   3.394   3.767
   13   HD23  LEU   1          3HD2      LEU   1 -15.163   3.919   2.100
   14    H    LEU   2           H        LEU   2 -15.179  -1.029   3.387
   15    HA   LEU   2           HA       LEU   2 -13.055   0.452   4.827
   16    HB2  LEU   2           2HB      LEU   2 -13.682  -1.749   5.814
   17    HB3  LEU   2           1HB      LEU   2 -13.167  -2.509   4.309
   18    HG   LEU   2           HG       LEU   2 -11.008  -1.048   4.673
   19   HD11  LEU   2          1HD1      LEU   2 -11.890  -1.525   7.533
   20   HD12  LEU   2          2HD1      LEU   2 -11.980   0.045   6.738
   21   HD13  LEU   2          3HD1      LEU   2 -10.415  -0.724   6.996
   22   HD21  LEU   2          3HD2      LEU   2 -10.907  -3.421   4.543
   23   HD22  LEU   2          1HD2      LEU   2 -11.666  -3.599   6.125
   24   HD23  LEU   2          2HD2      LEU   2 -10.033  -2.944   5.999
   25    H    GLY   3           H        GLY   3 -13.703  -1.742   2.168
   26    HA2  GLY   3           2HA      GLY   3 -11.415  -2.020   0.829
   27    HA3  GLY   3           1HA      GLY   3 -12.896  -1.624  -0.040
   28    H    ASP   4           H        ASP   4 -13.176   1.031   1.114
   29    HA   ASP   4           HA       ASP   4 -11.539   2.494  -0.720
   30    HB2  ASP   4           2HB      ASP   4 -13.876   3.097   0.284
   31    HB3  ASP   4           1HB      ASP   4 -12.936   3.763   1.619
   32    H    PHE   5           H        PHE   5 -11.504   1.964   2.774
   33    HA   PHE   5           HA       PHE   5  -9.463   3.696   3.541
   34    HB2  PHE   5           2HB      PHE   5 -10.337   2.743   5.416
   35    HB3  PHE   5           1HB      PHE   5 -10.697   1.231   4.609
   36    HD1  PHE   5           2HD      PHE   5  -8.900  -0.504   4.322
   37    HD2  PHE   5           1HD      PHE   5  -8.292   3.083   6.606
   38    HE1  PHE   5           2HE      PHE   5  -6.900  -1.512   5.380
   39    HE2  PHE   5           1HE      PHE   5  -6.291   2.072   7.664
   40    HZ   PHE   5           HZ       PHE   5  -5.594  -0.227   7.049
   41    H    PHE   6           H        PHE   6  -9.231   0.307   2.510
   42    HA   PHE   6           HA       PHE   6  -6.459   0.033   2.687
   43    HB2  PHE   6           2HB      PHE   6  -8.649  -1.360   1.256
   44    HB3  PHE   6           1HB      PHE   6  -7.029  -1.611   0.610
   45    HD1  PHE   6           1HD      PHE   6  -5.169  -1.917   2.573
   46    HD2  PHE   6           2HD      PHE   6  -9.347  -2.870   2.883
   47    HE1  PHE   6           1HE      PHE   6  -4.672  -3.498   4.419
   48    HE2  PHE   6           2HE      PHE   6  -8.848  -4.453   4.727
   49    HZ   PHE   6           HZ       PHE   6  -6.516  -4.762   5.498
   50    H    ARG   7           H        ARG   7  -8.435   1.056  -0.107
   51    HA   ARG   7           HA       ARG   7  -6.425   1.319  -1.993
   52    HB2  ARG   7           2HB      ARG   7  -8.916   2.961  -1.521
   53    HB3  ARG   7           1HB      ARG   7  -7.854   3.233  -2.903
   54    HG2  ARG   7           2HG      ARG   7  -8.108   0.752  -3.431
   55    HG3  ARG   7           1HG      ARG   7  -9.396   0.720  -2.226
   56    HD2  ARG   7           2HD      ARG   7  -9.314   2.130  -4.875
   57    HD3  ARG   7           1HD      ARG   7 -10.602   1.151  -4.174
   58    HE   ARG   7           HE       ARG   7 -10.446   3.301  -2.497
   59   HH11  ARG   7          1HH2      ARG   7 -10.760   2.853  -5.914
   60   HH12  ARG   7          2HH2      ARG   7 -11.676   4.303  -6.160
   61   HH21  ARG   7          1HH1      ARG   7 -11.646   5.204  -2.812
   62   HH22  ARG   7          2HH1      ARG   7 -12.177   5.634  -4.403
   63    H    LYS   8           H        LYS   8  -7.395   3.581   0.551
   64    HA   LYS   8           HA       LYS   8  -5.541   5.624  -0.200
   65    HB2  LYS   8           2HB      LYS   8  -7.484   6.217   1.112
   66    HB3  LYS   8           1HB      LYS   8  -7.021   5.089   2.385
   67    HG2  LYS   8           2HG      LYS   8  -5.116   6.393   2.987
   68    HG3  LYS   8           1HG      LYS   8  -5.234   7.371   1.523
   69    HD2  LYS   8           2HD      LYS   8  -7.165   8.502   2.296
   70    HD3  LYS   8           1HD      LYS   8  -7.471   7.299   3.550
   71    HE2  LYS   8           2HE      LYS   8  -4.969   8.996   3.525
   72    HE3  LYS   8           1HE      LYS   8  -6.448   9.511   4.336
   73    HZ1  LYS   8           3HZ      LYS   8  -5.380   8.413   6.014
   74    HZ2  LYS   8           1HZ      LYS   8  -4.655   7.279   4.980
   75    HZ3  LYS   8           2HZ      LYS   8  -6.305   7.142   5.369
   76    H    SER   9           H        SER   9  -5.503   2.942   2.111
   77    HA   SER   9           HA       SER   9  -2.951   3.623   3.228
   78    HB2  SER   9           2HB      SER   9  -4.792   2.191   4.296
   79    HB3  SER   9           1HB      SER   9  -4.216   0.886   3.264
   80    HG   SER   9           HG       SER   9  -2.988   2.164   5.422
   81    H    LYS  10           H        LYS  10  -4.029   1.083   0.953
   82    HA   LYS  10           HA       LYS  10  -1.578  -0.090   0.433
   83    HB2  LYS  10           2HB      LYS  10  -4.151   0.135  -0.998
   84    HB3  LYS  10           1HB      LYS  10  -2.763  -0.173  -2.040
   85    HG2  LYS  10           2HG      LYS  10  -2.232  -2.193  -0.955
   86    HG3  LYS  10           1HG      LYS  10  -3.168  -1.778   0.481
   87    HD2  LYS  10           2HD      LYS  10  -5.186  -2.357  -0.491
   88    HD3  LYS  10           1HD      LYS  10  -4.631  -1.990  -2.122
   89    HE2  LYS  10           2HE      LYS  10  -4.948  -4.483  -1.489
   90    HE3  LYS  10           1HE      LYS  10  -3.453  -4.027  -2.307
   91    HZ1  LYS  10           3HZ      LYS  10  -3.612  -5.359   0.045
   92    HZ2  LYS  10           1HZ      LYS  10  -3.321  -3.766   0.551
   93    HZ3  LYS  10           2HZ      LYS  10  -2.243  -4.526  -0.521
   94    H    GLU  11           H        GLU  11  -2.942   2.906  -0.832
   95    HA   GLU  11           HA       GLU  11  -0.843   3.353  -2.743
   96    HB2  GLU  11           2HB      GLU  11  -2.997   5.102  -1.551
   97    HB3  GLU  11           1HB      GLU  11  -1.781   5.743  -2.658
   98    HG2  GLU  11           2HG      GLU  11  -2.463   4.223  -4.401
   99    HG3  GLU  11           1HG      GLU  11  -3.525   3.352  -3.297
  100    H    LYS  12           H        LYS  12  -1.606   4.623   0.494
  101    HA   LYS  12           HA       LYS  12   0.593   6.328   0.781
  102    HB2  LYS  12           2HB      LYS  12  -1.503   5.943   2.308
  103    HB3  LYS  12           1HB      LYS  12  -0.481   4.747   3.101
  104    HG2  LYS  12           2HG      LYS  12   0.076   6.622   4.339
  105    HG3  LYS  12           1HG      LYS  12   1.290   6.733   3.065
  106    HD2  LYS  12           2HD      LYS  12  -0.402   8.171   1.785
  107    HD3  LYS  12           1HD      LYS  12  -1.310   8.259   3.294
  108    HE2  LYS  12           2HE      LYS  12   0.099  10.190   3.268
  109    HE3  LYS  12           1HE      LYS  12   0.849   9.058   4.394
  110    HZ1  LYS  12           3HZ      LYS  12   2.489   8.509   2.881
  111    HZ2  LYS  12           1HZ      LYS  12   2.305  10.175   2.623
  112    HZ3  LYS  12           2HZ      LYS  12   1.603   9.066   1.543
  113    H    ILE  13           H        ILE  13   0.221   2.909   1.756
  114    HA   ILE  13           HA       ILE  13   2.806   2.531   2.749
  115    HB   ILE  13           HB       ILE  13   0.660   0.756   1.625
  116   HG12  ILE  13          2HG1      ILE  13   1.041  -0.263   3.984
  117   HG13  ILE  13          1HG1      ILE  13   1.961   1.204   4.312
  118   HG21  ILE  13          1HG2      ILE  13   2.134  -1.191   2.270
  119   HG22  ILE  13          2HG2      ILE  13   3.475  -0.050   2.338
  120   HG23  ILE  13          3HG2      ILE  13   2.630  -0.330   0.813
  121   HD11  ILE  13          3HD1      ILE  13  -0.042   2.541   3.617
  122   HD12  ILE  13          1HD1      ILE  13  -0.331   1.539   5.037
  123   HD13  ILE  13          2HD1      ILE  13  -0.941   1.032   3.464
  124    H    GLY  14           H        GLY  14   1.462   2.503  -0.491
  125    HA2  GLY  14           2HA      GLY  14   3.465   1.214  -1.920
  126    HA3  GLY  14           1HA      GLY  14   2.476   2.527  -2.558
  127    H    LYS  15           H        LYS  15   3.183   4.610  -0.980
  128    HA   LYS  15           HA       LYS  15   5.591   5.501  -2.138
  129    HB2  LYS  15           2HB      LYS  15   4.381   6.634   0.377
  130    HB3  LYS  15           1HB      LYS  15   5.234   7.487  -0.909
  131    HG2  LYS  15           2HG      LYS  15   2.468   6.271  -1.010
  132    HG3  LYS  15           1HG      LYS  15   2.910   7.963  -1.226
  133    HD2  LYS  15           2HD      LYS  15   4.330   7.092  -3.232
  134    HD3  LYS  15           1HD      LYS  15   3.320   5.653  -3.116
  135    HE2  LYS  15           2HE      LYS  15   1.301   7.161  -3.230
  136    HE3  LYS  15           1HE      LYS  15   2.395   8.501  -3.574
  137    HZ1  LYS  15           3HZ      LYS  15   1.316   6.862  -5.427
  138    HZ2  LYS  15           1HZ      LYS  15   2.851   6.175  -5.207
  139    HZ3  LYS  15           2HZ      LYS  15   2.709   7.808  -5.655
  140    H    GLU  16           H        GLU  16   4.884   4.727   1.285
  141    HA   GLU  16           HA       GLU  16   7.584   4.876   2.123
  142    HB2  GLU  16           2HB      GLU  16   5.096   3.623   3.255
  143    HB3  GLU  16           1HB      GLU  16   6.657   3.302   4.007
  144    HG2  GLU  16           2HG      GLU  16   5.645   5.213   5.110
  145    HG3  GLU  16           1HG      GLU  16   7.030   5.772   4.175
  146    H    PHE  17           H        PHE  17   5.526   2.167   1.137
  147    HA   PHE  17           HA       PHE  17   7.253   0.043   1.520
  148    HB2  PHE  17           2HB      PHE  17   4.948  -0.228   0.780
  149    HB3  PHE  17           1HB      PHE  17   5.337   0.500  -0.774
  150    HD1  PHE  17           1HD      PHE  17   5.790  -2.421   1.405
  151    HD2  PHE  17           2HD      PHE  17   6.587  -0.727  -2.456
  152    HE1  PHE  17           1HE      PHE  17   6.455  -4.654   0.573
  153    HE2  PHE  17           2HE      PHE  17   7.257  -2.958  -3.294
  154    HZ   PHE  17           HZ       PHE  17   7.196  -4.927  -1.783
  155    H    LYS  18           H        LYS  18   7.246   2.475  -1.042
  156    HA   LYS  18           HA       LYS  18   9.125   1.088  -2.690
  157    HB2  LYS  18           2HB      LYS  18   7.441   3.151  -3.126
  158    HB3  LYS  18           1HB      LYS  18   8.941   4.045  -2.895
  159    HG2  LYS  18           2HG      LYS  18   9.042   3.605  -5.178
  160    HG3  LYS  18           1HG      LYS  18   9.923   2.219  -4.538
  161    HD2  LYS  18           2HD      LYS  18   7.660   1.004  -4.494
  162    HD3  LYS  18           1HD      LYS  18   7.058   2.326  -5.494
  163    HE2  LYS  18           2HE      LYS  18   7.812   0.449  -6.900
  164    HE3  LYS  18           1HE      LYS  18   8.825   1.870  -7.160
  165    HZ1  LYS  18           3HZ      LYS  18  10.600   0.887  -6.231
  166    HZ2  LYS  18           1HZ      LYS  18   9.789  -0.551  -6.621
  167    HZ3  LYS  18           2HZ      LYS  18   9.686   0.080  -5.047
  168    H    ARG  19           H        ARG  19   9.512   3.999  -0.614
  169    HA   ARG  19           HA       ARG  19  12.337   4.025  -0.955
  170    HB2  ARG  19           2HB      ARG  19  12.375   5.880   0.443
  171    HB3  ARG  19           1HB      ARG  19  10.754   5.954  -0.232
  172    HG2  ARG  19           2HG      ARG  19   9.802   5.015   1.788
  173    HG3  ARG  19           1HG      ARG  19  11.397   4.667   2.439
  174    HD2  ARG  19           2HD      ARG  19  11.469   6.703   3.371
  175    HD3  ARG  19           1HD      ARG  19  11.384   7.437   1.778
  176    HE   ARG  19           HE       ARG  19   9.414   7.631   3.706
  177   HH11  ARG  19          1HH2      ARG  19   9.585   6.402   0.473
  178   HH12  ARG  19          2HH2      ARG  19   7.913   6.689   0.136
  179   HH21  ARG  19          1HH1      ARG  19   7.235   8.008   3.264
  180   HH22  ARG  19          2HH1      ARG  19   6.585   7.596   1.713
  181    H    ILE  20           H        ILE  20  10.249   2.798   1.655
  182    HA   ILE  20           HA       ILE  20  12.277   2.064   3.425
  183    HB   ILE  20           HB       ILE  20   9.647   2.087   3.628
  184   HG12  ILE  20          2HG1      ILE  20  11.440   0.088   5.030
  185   HG13  ILE  20          1HG1      ILE  20  11.202   1.780   5.471
  186   HG21  ILE  20          1HG2      ILE  20   9.460   0.199   1.945
  187   HG22  ILE  20          2HG2      ILE  20   8.606  -0.057   3.465
  188   HG23  ILE  20          3HG2      ILE  20  10.148  -0.861   3.175
  189   HD11  ILE  20          3HD1      ILE  20   9.769   0.522   6.916
  190   HD12  ILE  20          1HD1      ILE  20   9.171  -0.458   5.577
  191   HD13  ILE  20          2HD1      ILE  20   8.720   1.243   5.695
  192    H    VAL  21           H        VAL  21  10.811   0.249   0.735
  193    HA   VAL  21           HA       VAL  21  12.555  -2.035   1.217
  194    HB   VAL  21           HB       VAL  21  10.545  -1.480  -0.982
  195   HG11  VAL  21          1HG1      VAL  21  10.900  -4.190  -0.927
  196   HG12  VAL  21          2HG1      VAL  21  12.535  -3.635  -0.568
  197   HG13  VAL  21          3HG1      VAL  21  11.731  -3.113  -2.048
  198   HG21  VAL  21          3HG2      VAL  21   9.312  -1.795   1.008
  199   HG22  VAL  21          1HG2      VAL  21  10.460  -2.971   1.642
  200   HG23  VAL  21          2HG2      VAL  21   9.379  -3.414   0.322
  201    H    GLN  22           H        GLN  22  13.734   0.564   0.592
  202    HA   GLN  22           HA       GLN  22  15.081   1.621  -1.004
  203    HB2  GLN  22           2HB      GLN  22  16.452  -1.047  -0.979
  204    HB3  GLN  22           1HB      GLN  22  17.160   0.568  -0.922
  205    HG2  GLN  22           2HG      GLN  22  15.979   0.843   1.331
  206    HG3  GLN  22           1HG      GLN  22  15.687  -0.895   1.273
  207   HE21  GLN  22          1HE2      GLN  22  18.270   1.562   1.421
  208   HE22  GLN  22          2HE2      GLN  22  19.475   0.494   1.959
  209    H    ARG  23           H        ARG  23  13.082   1.201  -2.571
  210    HA   ARG  23           HA       ARG  23  12.451   0.871  -4.755
  211    HB2  ARG  23           2HB      ARG  23  15.298   0.088  -5.365
  212    HB3  ARG  23           1HB      ARG  23  14.119   0.852  -6.428
  213    HG2  ARG  23           2HG      ARG  23  14.134   2.827  -4.806
  214    HG3  ARG  23           1HG      ARG  23  15.552   2.084  -4.067
  215    HD2  ARG  23           2HD      ARG  23  16.195   1.999  -6.748
  216    HD3  ARG  23           1HD      ARG  23  15.316   3.521  -6.626
  217    HE   ARG  23           HE       ARG  23  17.054   3.601  -4.515
  218   HH11  ARG  23          1HH2      ARG  23  17.313   3.047  -7.921
  219   HH12  ARG  23          2HH2      ARG  23  18.910   3.705  -8.047
  220   HH21  ARG  23          1HH1      ARG  23  19.148   4.464  -4.672
  221   HH22  ARG  23          2HH1      ARG  23  19.950   4.508  -6.206
  Start of MODEL   11
    1    H1   LEU   1           1HT      LEU   1 -18.182   2.260   2.705
    2    H2   LEU   1           2HT      LEU   1 -16.643   2.886   3.053
    3    H3   LEU   1           3HT      LEU   1 -17.554   2.134   4.274
    4    HA   LEU   1           HA       LEU   1 -17.239   0.018   3.408
    5    HB2  LEU   1           2HB      LEU   1 -16.619   1.555   0.899
    6    HB3  LEU   1           1HB      LEU   1 -15.984  -0.077   1.088
    7    HG   LEU   1           HG       LEU   1 -18.194   0.001  -0.092
    8   HD11  LEU   1          2HD1      LEU   1 -18.879  -1.981   0.843
    9   HD12  LEU   1          3HD1      LEU   1 -18.786  -1.368   2.492
   10   HD13  LEU   1          1HD1      LEU   1 -17.317  -1.855   1.646
   11   HD21  LEU   1          1HD2      LEU   1 -19.272   0.848   2.614
   12   HD22  LEU   1          2HD2      LEU   1 -20.196   0.594   1.134
   13   HD23  LEU   1          3HD2      LEU   1 -19.068   1.944   1.246
   14    H    LEU   2           H        LEU   2 -15.282  -1.192   3.569
   15    HA   LEU   2           HA       LEU   2 -13.103   0.318   4.759
   16    HB2  LEU   2           2HB      LEU   2 -13.817  -1.767   5.793
   17    HB3  LEU   2           1HB      LEU   2 -13.455  -2.651   4.315
   18    HG   LEU   2           HG       LEU   2 -11.223  -0.992   5.147
   19   HD11  LEU   2          1HD1      LEU   2 -12.108  -1.448   7.409
   20   HD12  LEU   2          2HD1      LEU   2 -10.583  -2.290   7.139
   21   HD13  LEU   2          3HD1      LEU   2 -12.106  -3.175   7.054
   22   HD21  LEU   2          3HD2      LEU   2 -11.439  -3.989   4.851
   23   HD22  LEU   2          1HD2      LEU   2  -9.972  -3.015   4.764
   24   HD23  LEU   2          2HD2      LEU   2 -11.198  -2.875   3.505
   25    H    GLY   3           H        GLY   3 -13.354  -2.123   2.231
   26    HA2  GLY   3           2HA      GLY   3 -10.902  -2.284   1.172
   27    HA3  GLY   3           1HA      GLY   3 -12.314  -2.175   0.122
   28    H    ASP   4           H        ASP   4 -13.027   0.521   0.896
   29    HA   ASP   4           HA       ASP   4 -11.467   2.003  -0.950
   30    HB2  ASP   4           2HB      ASP   4 -13.357   2.909   1.236
   31    HB3  ASP   4           1HB      ASP   4 -12.659   3.982   0.024
   32    H    PHE   5           H        PHE   5 -11.495   1.759   2.577
   33    HA   PHE   5           HA       PHE   5  -9.623   3.721   3.233
   34    HB2  PHE   5           2HB      PHE   5 -10.222   2.896   5.244
   35    HB3  PHE   5           1HB      PHE   5 -10.837   1.423   4.525
   36    HD1  PHE   5           1HD      PHE   5  -9.287  -0.527   4.154
   37    HD2  PHE   5           2HD      PHE   5  -8.069   3.010   6.263
   38    HE1  PHE   5           1HE      PHE   5  -7.350  -1.750   5.099
   39    HE2  PHE   5           2HE      PHE   5  -6.128   1.788   7.199
   40    HZ   PHE   5           HZ       PHE   5  -5.768  -0.595   6.616
   41    H    PHE   6           H        PHE   6  -9.146   0.294   2.489
   42    HA   PHE   6           HA       PHE   6  -6.397   0.138   2.745
   43    HB2  PHE   6           2HB      PHE   6  -8.470  -1.335   1.242
   44    HB3  PHE   6           1HB      PHE   6  -6.842  -1.489   0.587
   45    HD1  PHE   6           1HD      PHE   6  -5.024  -1.594   2.738
   46    HD2  PHE   6           2HD      PHE   6  -9.041  -3.110   2.620
   47    HE1  PHE   6           1HE      PHE   6  -4.448  -3.243   4.494
   48    HE2  PHE   6           2HE      PHE   6  -8.464  -4.761   4.381
   49    HZ   PHE   6           HZ       PHE   6  -6.170  -4.828   5.319
   50    H    ARG   7           H        ARG   7  -8.237   0.980  -0.192
   51    HA   ARG   7           HA       ARG   7  -6.112   1.362  -1.921
   52    HB2  ARG   7           2HB      ARG   7  -7.823   1.875  -3.287
   53    HB3  ARG   7           1HB      ARG   7  -8.899   1.940  -1.895
   54    HG2  ARG   7           2HG      ARG   7  -8.319   4.310  -1.545
   55    HG3  ARG   7           1HG      ARG   7  -7.222   4.252  -2.926
   56    HD2  ARG   7           2HD      ARG   7  -9.941   4.903  -3.008
   57    HD3  ARG   7           1HD      ARG   7  -8.921   4.518  -4.392
   58    HE   ARG   7           HE       ARG   7  -9.704   2.068  -3.491
   59   HH11  ARG   7          1HH2      ARG   7 -11.324   5.012  -4.321
   60   HH12  ARG   7          2HH2      ARG   7 -12.768   4.224  -4.865
   61   HH21  ARG   7          1HH1      ARG   7 -11.594   1.030  -4.202
   62   HH22  ARG   7          2HH1      ARG   7 -12.920   1.970  -4.798
   63    H    LYS   8           H        LYS   8  -7.424   3.590   0.497
   64    HA   LYS   8           HA       LYS   8  -5.720   5.774  -0.234
   65    HB2  LYS   8           2HB      LYS   8  -7.476   5.146   2.126
   66    HB3  LYS   8           1HB      LYS   8  -6.369   6.518   2.185
   67    HG2  LYS   8           2HG      LYS   8  -7.401   7.550   0.288
   68    HG3  LYS   8           1HG      LYS   8  -8.320   6.094  -0.087
   69    HD2  LYS   8           2HD      LYS   8  -9.714   7.823   1.038
   70    HD3  LYS   8           1HD      LYS   8  -9.610   6.334   1.976
   71    HE2  LYS   8           2HE      LYS   8  -7.639   8.556   2.461
   72    HE3  LYS   8           1HE      LYS   8  -9.242   8.622   3.192
   73    HZ1  LYS   8           3HZ      LYS   8  -8.489   7.266   4.752
   74    HZ2  LYS   8           1HZ      LYS   8  -7.007   7.067   3.952
   75    HZ3  LYS   8           2HZ      LYS   8  -8.314   6.048   3.581
   76    H    SER   9           H        SER   9  -5.599   3.234   2.243
   77    HA   SER   9           HA       SER   9  -3.136   4.154   3.385
   78    HB2  SER   9           2HB      SER   9  -4.513   1.465   3.570
   79    HB3  SER   9           1HB      SER   9  -3.152   1.980   4.563
   80    HG   SER   9           HG       SER   9  -4.871   2.539   5.754
   81    H    LYS  10           H        LYS  10  -3.980   1.415   1.250
   82    HA   LYS  10           HA       LYS  10  -1.449   0.356   0.874
   83    HB2  LYS  10           2HB      LYS  10  -3.881   0.517  -0.884
   84    HB3  LYS  10           1HB      LYS  10  -2.389  -0.190  -1.506
   85    HG2  LYS  10           2HG      LYS  10  -2.377  -1.891   0.156
   86    HG3  LYS  10           1HG      LYS  10  -3.578  -1.051   1.131
   87    HD2  LYS  10           2HD      LYS  10  -4.861  -2.716   0.094
   88    HD3  LYS  10           1HD      LYS  10  -5.122  -1.332  -0.964
   89    HE2  LYS  10           2HE      LYS  10  -2.833  -2.445  -2.033
   90    HE3  LYS  10           1HE      LYS  10  -3.735  -3.869  -1.514
   91    HZ1  LYS  10           3HZ      LYS  10  -5.415  -3.447  -2.956
   92    HZ2  LYS  10           1HZ      LYS  10  -4.156  -2.727  -3.834
   93    HZ3  LYS  10           2HZ      LYS  10  -5.205  -1.762  -2.908
   94    H    GLU  11           H        GLU  11  -2.937   3.190  -0.608
   95    HA   GLU  11           HA       GLU  11  -0.892   3.650  -2.539
   96    HB2  GLU  11           2HB      GLU  11  -3.055   5.336  -1.301
   97    HB3  GLU  11           1HB      GLU  11  -1.824   6.087  -2.316
   98    HG2  GLU  11           2HG      GLU  11  -2.417   4.740  -4.200
   99    HG3  GLU  11           1HG      GLU  11  -3.419   3.678  -3.211
  100    H    LYS  12           H        LYS  12  -1.468   4.804   0.765
  101    HA   LYS  12           HA       LYS  12   0.776   6.520   0.926
  102    HB2  LYS  12           2HB      LYS  12  -0.857   5.071   3.011
  103    HB3  LYS  12           1HB      LYS  12   0.500   6.115   3.440
  104    HG2  LYS  12           2HG      LYS  12  -0.563   7.984   2.211
  105    HG3  LYS  12           1HG      LYS  12  -1.932   6.940   1.828
  106    HD2  LYS  12           2HD      LYS  12  -2.610   6.801   4.090
  107    HD3  LYS  12           1HD      LYS  12  -1.056   7.391   4.680
  108    HE2  LYS  12           2HE      LYS  12  -1.496   9.609   3.878
  109    HE3  LYS  12           1HE      LYS  12  -2.910   9.068   2.974
  110    HZ1  LYS  12           3HZ      LYS  12  -3.832   9.943   4.877
  111    HZ2  LYS  12           1HZ      LYS  12  -2.579   9.395   5.881
  112    HZ3  LYS  12           2HZ      LYS  12  -3.726   8.295   5.279
  113    H    ILE  13           H        ILE  13   0.320   3.089   1.777
  114    HA   ILE  13           HA       ILE  13   2.933   2.671   2.766
  115    HB   ILE  13           HB       ILE  13   0.711   0.915   1.751
  116   HG12  ILE  13          2HG1      ILE  13   1.123  -0.006   4.159
  117   HG13  ILE  13          1HG1      ILE  13   2.036   1.482   4.403
  118   HG21  ILE  13          1HG2      ILE  13   3.530   0.109   2.433
  119   HG22  ILE  13          2HG2      ILE  13   2.620  -0.262   0.968
  120   HG23  ILE  13          3HG2      ILE  13   2.179  -1.020   2.498
  121   HD11  ILE  13          3HD1      ILE  13   0.065   2.807   3.770
  122   HD12  ILE  13          1HD1      ILE  13  -0.323   1.730   5.111
  123   HD13  ILE  13          2HD1      ILE  13  -0.847   1.324   3.478
  124    H    GLY  14           H        GLY  14   1.426   2.413  -0.424
  125    HA2  GLY  14           2HA      GLY  14   3.381   1.093  -1.856
  126    HA3  GLY  14           1HA      GLY  14   2.370   2.371  -2.530
  127    H    LYS  15           H        LYS  15   3.171   4.600  -1.228
  128    HA   LYS  15           HA       LYS  15   5.602   5.260  -2.517
  129    HB2  LYS  15           2HB      LYS  15   3.795   6.596  -0.547
  130    HB3  LYS  15           1HB      LYS  15   5.424   7.244  -0.730
  131    HG2  LYS  15           2HG      LYS  15   3.869   8.372  -2.268
  132    HG3  LYS  15           1HG      LYS  15   5.065   7.442  -3.170
  133    HD2  LYS  15           2HD      LYS  15   3.496   5.655  -3.557
  134    HD3  LYS  15           1HD      LYS  15   2.324   6.374  -2.452
  135    HE2  LYS  15           2HE      LYS  15   1.660   6.884  -4.739
  136    HE3  LYS  15           1HE      LYS  15   2.200   8.369  -3.956
  137    HZ1  LYS  15           3HZ      LYS  15   4.485   7.379  -4.990
  138    HZ2  LYS  15           1HZ      LYS  15   3.523   8.566  -5.725
  139    HZ3  LYS  15           2HZ      LYS  15   3.349   6.936  -6.174
  140    H    GLU  16           H        GLU  16   4.895   4.900   0.970
  141    HA   GLU  16           HA       GLU  16   7.552   5.059   1.860
  142    HB2  GLU  16           2HB      GLU  16   5.145   3.616   2.984
  143    HB3  GLU  16           1HB      GLU  16   6.693   3.705   3.825
  144    HG2  GLU  16           2HG      GLU  16   6.589   6.171   3.752
  145    HG3  GLU  16           1HG      GLU  16   5.032   6.078   2.932
  146    H    PHE  17           H        PHE  17   5.561   2.226   1.079
  147    HA   PHE  17           HA       PHE  17   7.322   0.170   1.521
  148    HB2  PHE  17           2HB      PHE  17   4.990  -0.058   0.749
  149    HB3  PHE  17           1HB      PHE  17   5.497   0.472  -0.843
  150    HD1  PHE  17           1HD      PHE  17   6.007  -2.137   1.747
  151    HD2  PHE  17           2HD      PHE  17   6.439  -1.076  -2.390
  152    HE1  PHE  17           1HE      PHE  17   6.590  -4.484   1.212
  153    HE2  PHE  17           2HE      PHE  17   7.027  -3.422  -2.929
  154    HZ   PHE  17           HZ       PHE  17   7.103  -5.130  -1.129
  155    H    LYS  18           H        LYS  18   7.045   2.149  -1.435
  156    HA   LYS  18           HA       LYS  18   9.171   0.876  -2.806
  157    HB2  LYS  18           2HB      LYS  18   7.298   2.764  -3.465
  158    HB3  LYS  18           1HB      LYS  18   8.756   3.749  -3.375
  159    HG2  LYS  18           2HG      LYS  18   8.822   3.023  -5.592
  160    HG3  LYS  18           1HG      LYS  18   9.821   1.807  -4.799
  161    HD2  LYS  18           2HD      LYS  18   7.695   0.416  -4.541
  162    HD3  LYS  18           1HD      LYS  18   6.923   1.563  -5.636
  163    HE2  LYS  18           2HE      LYS  18   8.582   1.077  -7.367
  164    HE3  LYS  18           1HE      LYS  18   9.438  -0.007  -6.271
  165    HZ1  LYS  18           3HZ      LYS  18   8.121  -1.438  -7.483
  166    HZ2  LYS  18           1HZ      LYS  18   6.811  -0.363  -7.553
  167    HZ3  LYS  18           2HZ      LYS  18   7.167  -1.175  -6.103
  168    H    ARG  19           H        ARG  19   9.090   3.143  -0.220
  169    HA   ARG  19           HA       ARG  19  11.877   3.952  -0.639
  170    HB2  ARG  19           2HB      ARG  19  11.023   5.890   0.122
  171    HB3  ARG  19           1HB      ARG  19   9.539   5.105   0.649
  172    HG2  ARG  19           2HG      ARG  19  10.572   4.443   2.744
  173    HG3  ARG  19           1HG      ARG  19  12.137   5.062   2.214
  174    HD2  ARG  19           2HD      ARG  19  11.047   7.332   1.981
  175    HD3  ARG  19           1HD      ARG  19   9.624   6.655   2.769
  176    HE   ARG  19           HE       ARG  19  11.666   6.050   4.484
  177   HH11  ARG  19          1HH2      ARG  19  10.503   8.918   2.936
  178   HH12  ARG  19          2HH2      ARG  19  10.998   9.976   4.216
  179   HH21  ARG  19          1HH1      ARG  19  12.316   7.430   6.166
  180   HH22  ARG  19          2HH1      ARG  19  12.025   9.134   6.045
  181    H    ILE  20           H        ILE  20   9.883   1.974   1.503
  182    HA   ILE  20           HA       ILE  20  11.998   1.606   3.430
  183    HB   ILE  20           HB       ILE  20  10.465   0.482   4.710
  184   HG12  ILE  20          2HG1      ILE  20   9.310  -0.639   2.139
  185   HG13  ILE  20          1HG1      ILE  20  10.265  -1.505   3.340
  186   HG21  ILE  20          1HG2      ILE  20   9.395   2.627   3.434
  187   HG22  ILE  20          2HG2      ILE  20   8.531   1.704   4.658
  188   HG23  ILE  20          3HG2      ILE  20   8.249   1.380   2.958
  189   HD11  ILE  20          3HD1      ILE  20   8.456  -0.950   5.026
  190   HD12  ILE  20          1HD1      ILE  20   7.964  -2.064   3.752
  191   HD13  ILE  20          2HD1      ILE  20   7.478  -0.372   3.680
  192    H    VAL  21           H        VAL  21  10.517  -0.397   0.895
  193    HA   VAL  21           HA       VAL  21  12.759  -2.302   1.150
  194    HB   VAL  21           HB       VAL  21  10.547  -3.299   1.367
  195   HG11  VAL  21          1HG1      VAL  21   8.963  -2.033   0.276
  196   HG12  VAL  21          2HG1      VAL  21   9.234  -3.244  -0.973
  197   HG13  VAL  21          3HG1      VAL  21  10.023  -1.676  -1.087
  198   HG21  VAL  21          3HG2      VAL  21  11.028  -5.118   0.048
  199   HG22  VAL  21          1HG2      VAL  21  12.543  -4.248  -0.191
  200   HG23  VAL  21          2HG2      VAL  21  11.265  -4.145  -1.401
  201    H    GLN  22           H        GLN  22  13.674  -0.125   0.002
  202    HA   GLN  22           HA       GLN  22  13.248   0.189  -2.770
  203    HB2  GLN  22           2HB      GLN  22  15.887   0.760  -1.447
  204    HB3  GLN  22           1HB      GLN  22  15.072   1.658  -2.729
  205    HG2  GLN  22           2HG      GLN  22  13.223   2.120  -1.014
  206    HG3  GLN  22           1HG      GLN  22  14.357   1.538   0.203
  207   HE21  GLN  22          1HE2      GLN  22  14.906   3.516   1.231
  208   HE22  GLN  22          2HE2      GLN  22  15.608   4.828   0.416
  209    H    ARG  23           H        ARG  23  13.231  -1.884  -3.707
  210    HA   ARG  23           HA       ARG  23  15.183  -3.856  -3.469
  211    HB2  ARG  23           2HB      ARG  23  14.442  -4.479  -5.842
  212    HB3  ARG  23           1HB      ARG  23  13.185  -4.431  -4.604
  213    HG2  ARG  23           2HG      ARG  23  12.423  -2.277  -5.336
  214    HG3  ARG  23           1HG      ARG  23  13.825  -2.070  -6.387
  215    HD2  ARG  23           2HD      ARG  23  13.084  -3.848  -7.843
  216    HD3  ARG  23           1HD      ARG  23  11.792  -4.288  -6.729
  217    HE   ARG  23           HE       ARG  23  11.259  -1.676  -7.333
  218   HH11  ARG  23          1HH2      ARG  23  11.874  -4.554  -9.152
  219   HH12  ARG  23          2HH2      ARG  23  10.874  -4.090 -10.489
  220   HH21  ARG  23          1HH1      ARG  23   9.944  -1.060  -9.080
  221   HH22  ARG  23          2HH1      ARG  23   9.782  -2.111 -10.447
  Start of MODEL   12
    1    H1   LEU   1           1HT      LEU   1 -17.254   0.357   2.657
    2    H2   LEU   1           2HT      LEU   1 -18.362  -0.753   2.004
    3    H3   LEU   1           3HT      LEU   1 -18.002   0.684   1.171
    4    HA   LEU   1           HA       LEU   1 -16.616  -1.826   1.180
    5    HB2  LEU   1           2HB      LEU   1 -16.785   0.656  -0.526
    6    HB3  LEU   1           1HB      LEU   1 -15.587  -0.593  -0.870
    7    HG   LEU   1           HG       LEU   1 -17.399  -2.281  -0.985
    8   HD11  LEU   1          2HD1      LEU   1 -19.766  -1.270  -1.183
    9   HD12  LEU   1          3HD1      LEU   1 -19.090   0.147  -0.380
   10   HD13  LEU   1          1HD1      LEU   1 -19.086  -1.416   0.437
   11   HD21  LEU   1          1HD2      LEU   1 -16.731  -1.279  -3.074
   12   HD22  LEU   1          2HD2      LEU   1 -17.678   0.172  -2.744
   13   HD23  LEU   1          3HD2      LEU   1 -18.493  -1.356  -3.078
   14    H    LEU   2           H        LEU   2 -15.203  -1.878   2.937
   15    HA   LEU   2           HA       LEU   2 -13.479   0.207   3.728
   16    HB2  LEU   2           2HB      LEU   2 -13.999  -1.828   5.071
   17    HB3  LEU   2           1HB      LEU   2 -12.943  -2.740   3.996
   18    HG   LEU   2           HG       LEU   2 -11.231  -0.837   4.476
   19   HD11  LEU   2          1HD1      LEU   2 -13.132  -0.617   6.829
   20   HD12  LEU   2          2HD1      LEU   2 -12.637   0.676   5.739
   21   HD13  LEU   2          3HD1      LEU   2 -11.474  -0.020   6.864
   22   HD21  LEU   2          3HD2      LEU   2 -11.973  -2.953   6.484
   23   HD22  LEU   2          1HD2      LEU   2 -10.457  -2.055   6.509
   24   HD23  LEU   2          2HD2      LEU   2 -10.838  -3.104   5.142
   25    H    GLY   3           H        GLY   3 -12.962  -2.555   1.632
   26    HA2  GLY   3           2HA      GLY   3 -10.367  -2.580   1.015
   27    HA3  GLY   3           1HA      GLY   3 -11.573  -2.698  -0.263
   28    H    ASP   4           H        ASP   4 -12.589   0.005   0.073
   29    HA   ASP   4           HA       ASP   4 -10.688   1.408  -1.563
   30    HB2  ASP   4           2HB      ASP   4 -13.284   2.240  -0.253
   31    HB3  ASP   4           1HB      ASP   4 -12.321   3.324  -1.254
   32    H    PHE   5           H        PHE   5 -11.782   1.596   1.788
   33    HA   PHE   5           HA       PHE   5 -10.456   3.888   2.650
   34    HB2  PHE   5           2HB      PHE   5 -11.797   3.070   4.321
   35    HB3  PHE   5           1HB      PHE   5 -11.474   1.399   3.912
   36    HD1  PHE   5           2HD      PHE   5  -9.345   0.298   4.693
   37    HD2  PHE   5           1HD      PHE   5 -10.497   4.242   5.944
   38    HE1  PHE   5           2HE      PHE   5  -7.718   0.186   6.557
   39    HE2  PHE   5           1HE      PHE   5  -8.869   4.129   7.809
   40    HZ   PHE   5           HZ       PHE   5  -7.478   2.099   8.116
   41    H    PHE   6           H        PHE   6  -9.327   0.530   2.575
   42    HA   PHE   6           HA       PHE   6  -6.731   1.070   3.563
   43    HB2  PHE   6           2HB      PHE   6  -8.140  -1.215   2.321
   44    HB3  PHE   6           1HB      PHE   6  -6.395  -1.209   2.092
   45    HD1  PHE   6           1HD      PHE   6  -5.159  -0.277   4.422
   46    HD2  PHE   6           2HD      PHE   6  -8.829  -2.492   4.136
   47    HE1  PHE   6           1HE      PHE   6  -4.849  -1.083   6.741
   48    HE2  PHE   6           2HE      PHE   6  -8.516  -3.300   6.458
   49    HZ   PHE   6           HZ       PHE   6  -6.536  -2.592   7.763
   50    H    ARG   7           H        ARG   7  -8.025   0.790   0.261
   51    HA   ARG   7           HA       ARG   7  -5.675   0.915  -1.185
   52    HB2  ARG   7           2HB      ARG   7  -8.370   1.045  -1.789
   53    HB3  ARG   7           1HB      ARG   7  -7.796   2.635  -2.288
   54    HG2  ARG   7           2HG      ARG   7  -6.033   1.585  -3.647
   55    HG3  ARG   7           1HG      ARG   7  -6.575  -0.011  -3.128
   56    HD2  ARG   7           2HD      ARG   7  -8.334   1.980  -4.584
   57    HD3  ARG   7           1HD      ARG   7  -7.459   0.674  -5.380
   58    HE   ARG   7           HE       ARG   7  -8.875  -0.606  -3.428
   59   HH11  ARG   7          1HH2      ARG   7  -9.632   1.636  -5.953
   60   HH12  ARG   7          2HH2      ARG   7 -11.234   1.027  -6.202
   61   HH21  ARG   7          1HH1      ARG   7 -10.974  -1.410  -3.747
   62   HH22  ARG   7          2HH1      ARG   7 -11.995  -0.699  -4.952
   63    H    LYS   8           H        LYS   8  -7.334   3.423   0.586
   64    HA   LYS   8           HA       LYS   8  -5.789   5.599  -0.490
   65    HB2  LYS   8           2HB      LYS   8  -8.105   5.741   0.602
   66    HB3  LYS   8           1HB      LYS   8  -7.264   5.586   2.144
   67    HG2  LYS   8           2HG      LYS   8  -5.930   7.574   1.660
   68    HG3  LYS   8           1HG      LYS   8  -6.662   7.704   0.060
   69    HD2  LYS   8           2HD      LYS   8  -8.891   7.978   1.132
   70    HD3  LYS   8           1HD      LYS   8  -8.110   7.940   2.713
   71    HE2  LYS   8           2HE      LYS   8  -8.545  10.265   1.858
   72    HE3  LYS   8           1HE      LYS   8  -6.847   9.943   2.207
   73    HZ1  LYS   8           3HZ      LYS   8  -6.347   9.725  -0.042
   74    HZ2  LYS   8           1HZ      LYS   8  -7.405  11.050   0.002
   75    HZ3  LYS   8           2HZ      LYS   8  -7.973   9.528  -0.494
   76    H    SER   9           H        SER   9  -5.783   3.743   2.547
   77    HA   SER   9           HA       SER   9  -3.480   5.048   3.619
   78    HB2  SER   9           2HB      SER   9  -4.484   2.295   4.349
   79    HB3  SER   9           1HB      SER   9  -3.571   3.415   5.356
   80    HG   SER   9           HG       SER   9  -5.365   4.398   5.834
   81    H    LYS  10           H        LYS  10  -3.967   1.830   2.125
   82    HA   LYS  10           HA       LYS  10  -1.341   0.945   2.193
   83    HB2  LYS  10           2HB      LYS  10  -3.745   0.296   0.650
   84    HB3  LYS  10           1HB      LYS  10  -2.266   0.035  -0.268
   85    HG2  LYS  10           2HG      LYS  10  -2.771  -2.007   0.924
   86    HG3  LYS  10           1HG      LYS  10  -1.366  -1.270   1.690
   87    HD2  LYS  10           2HD      LYS  10  -3.152  -0.123   3.239
   88    HD3  LYS  10           1HD      LYS  10  -4.197  -1.431   2.685
   89    HE2  LYS  10           2HE      LYS  10  -2.491  -3.080   3.414
   90    HE3  LYS  10           1HE      LYS  10  -1.497  -1.756   4.023
   91    HZ1  LYS  10           3HZ      LYS  10  -4.076  -2.752   5.025
   92    HZ2  LYS  10           1HZ      LYS  10  -3.641  -1.136   5.298
   93    HZ3  LYS  10           2HZ      LYS  10  -2.657  -2.390   5.885
   94    H    GLU  11           H        GLU  11  -2.936   3.111  -0.096
   95    HA   GLU  11           HA       GLU  11  -0.903   3.344  -2.000
   96    HB2  GLU  11           2HB      GLU  11  -3.186   5.016  -1.106
   97    HB3  GLU  11           1HB      GLU  11  -1.898   5.877  -1.947
   98    HG2  GLU  11           2HG      GLU  11  -2.062   4.366  -3.847
   99    HG3  GLU  11           1HG      GLU  11  -3.248   3.376  -2.999
  100    H    LYS  12           H        LYS  12  -1.480   5.306   0.930
  101    HA   LYS  12           HA       LYS  12   0.785   6.931   0.773
  102    HB2  LYS  12           2HB      LYS  12  -0.963   7.336   2.419
  103    HB3  LYS  12           1HB      LYS  12  -0.594   5.813   3.227
  104    HG2  LYS  12           2HG      LYS  12   1.573   6.597   3.901
  105    HG3  LYS  12           1HG      LYS  12   1.443   8.023   2.870
  106    HD2  LYS  12           2HD      LYS  12  -0.322   8.940   4.235
  107    HD3  LYS  12           1HD      LYS  12  -0.441   7.449   5.170
  108    HE2  LYS  12           2HE      LYS  12   0.884   9.387   6.231
  109    HE3  LYS  12           1HE      LYS  12   1.658   7.803   6.215
  110    HZ1  LYS  12           3HZ      LYS  12   3.163   8.448   4.676
  111    HZ2  LYS  12           1HZ      LYS  12   2.863   9.975   5.347
  112    HZ3  LYS  12           2HZ      LYS  12   2.099   9.521   3.900
  113    H    ILE  13           H        ILE  13   0.399   3.710   2.244
  114    HA   ILE  13           HA       ILE  13   3.069   3.468   3.158
  115    HB   ILE  13           HB       ILE  13   0.814   1.550   2.605
  116   HG12  ILE  13          2HG1      ILE  13   1.261   1.158   5.140
  117   HG13  ILE  13          1HG1      ILE  13   2.176   2.664   5.059
  118   HG21  ILE  13          1HG2      ILE  13   3.652   0.930   3.384
  119   HG22  ILE  13          2HG2      ILE  13   2.714   0.246   2.053
  120   HG23  ILE  13          3HG2      ILE  13   2.316  -0.170   3.720
  121   HD11  ILE  13          3HD1      ILE  13   0.186   3.827   4.192
  122   HD12  ILE  13          1HD1      ILE  13  -0.169   3.057   5.738
  123   HD13  ILE  13          2HD1      ILE  13  -0.721   2.315   4.237
  124    H    GLY  14           H        GLY  14   1.351   2.646   0.194
  125    HA2  GLY  14           2HA      GLY  14   3.160   1.012  -1.096
  126    HA3  GLY  14           1HA      GLY  14   2.126   2.174  -1.923
  127    H    LYS  15           H        LYS  15   3.093   4.569  -1.041
  128    HA   LYS  15           HA       LYS  15   5.400   4.918  -2.649
  129    HB2  LYS  15           2HB      LYS  15   3.881   6.655  -0.720
  130    HB3  LYS  15           1HB      LYS  15   5.418   7.210  -1.379
  131    HG2  LYS  15           2HG      LYS  15   3.747   8.053  -2.858
  132    HG3  LYS  15           1HG      LYS  15   4.457   6.672  -3.694
  133    HD2  LYS  15           2HD      LYS  15   2.610   5.245  -3.011
  134    HD3  LYS  15           1HD      LYS  15   1.934   6.537  -2.018
  135    HE2  LYS  15           2HE      LYS  15   1.811   7.925  -4.164
  136    HE3  LYS  15           1HE      LYS  15   2.141   6.426  -5.032
  137    HZ1  LYS  15           3HZ      LYS  15  -0.294   7.328  -3.943
  138    HZ2  LYS  15           1HZ      LYS  15   0.147   5.883  -3.170
  139    HZ3  LYS  15           2HZ      LYS  15   0.005   5.931  -4.863
  140    H    GLU  16           H        GLU  16   4.996   5.229   0.896
  141    HA   GLU  16           HA       GLU  16   7.743   5.475   1.472
  142    HB2  GLU  16           2HB      GLU  16   5.394   4.489   3.093
  143    HB3  GLU  16           1HB      GLU  16   7.025   4.555   3.760
  144    HG2  GLU  16           2HG      GLU  16   5.673   6.612   4.241
  145    HG3  GLU  16           1HG      GLU  16   7.158   6.942   3.351
  146    H    PHE  17           H        PHE  17   5.605   2.666   1.308
  147    HA   PHE  17           HA       PHE  17   7.374   0.658   2.092
  148    HB2  PHE  17           2HB      PHE  17   5.000   0.276   1.796
  149    HB3  PHE  17           1HB      PHE  17   5.130   0.588   0.073
  150    HD1  PHE  17           1HD      PHE  17   6.816  -1.514   2.666
  151    HD2  PHE  17           2HD      PHE  17   5.188  -1.278  -1.299
  152    HE1  PHE  17           1HE      PHE  17   7.324  -3.913   2.321
  153    HE2  PHE  17           2HE      PHE  17   5.697  -3.677  -1.651
  154    HZ   PHE  17           HZ       PHE  17   6.770  -4.999   0.156
  155    H    LYS  18           H        LYS  18   6.734   1.935  -1.181
  156    HA   LYS  18           HA       LYS  18   8.344   0.221  -2.636
  157    HB2  LYS  18           2HB      LYS  18   7.009   2.682  -3.062
  158    HB3  LYS  18           1HB      LYS  18   8.656   2.899  -3.653
  159    HG2  LYS  18           2HG      LYS  18   7.464   2.026  -5.511
  160    HG3  LYS  18           1HG      LYS  18   8.327   0.636  -4.855
  161    HD2  LYS  18           2HD      LYS  18   6.171   0.242  -3.449
  162    HD3  LYS  18           1HD      LYS  18   5.401   1.324  -4.608
  163    HE2  LYS  18           2HE      LYS  18   6.060  -0.128  -6.459
  164    HE3  LYS  18           1HE      LYS  18   6.941  -1.181  -5.352
  165    HZ1  LYS  18           3HZ      LYS  18   4.966  -2.275  -5.448
  166    HZ2  LYS  18           1HZ      LYS  18   4.057  -0.871  -5.730
  167    HZ3  LYS  18           2HZ      LYS  18   4.614  -1.221  -4.164
  168    H    ARG  19           H        ARG  19   9.298   3.381  -1.290
  169    HA   ARG  19           HA       ARG  19  12.048   3.129  -1.885
  170    HB2  ARG  19           2HB      ARG  19  10.883   4.688   0.427
  171    HB3  ARG  19           1HB      ARG  19  12.371   5.021  -0.460
  172    HG2  ARG  19           2HG      ARG  19  10.888   5.252  -2.543
  173    HG3  ARG  19           1HG      ARG  19   9.523   5.304  -1.426
  174    HD2  ARG  19           2HD      ARG  19  11.252   7.105  -0.277
  175    HD3  ARG  19           1HD      ARG  19  11.573   7.355  -1.988
  176    HE   ARG  19           HE       ARG  19   9.428   8.444  -0.678
  177   HH11  ARG  19          1HH2      ARG  19   9.812   6.188  -3.285
  178   HH12  ARG  19          2HH2      ARG  19   8.278   6.552  -3.998
  179   HH21  ARG  19          1HH1      ARG  19   7.429   8.918  -1.617
  180   HH22  ARG  19          2HH1      ARG  19   6.933   8.096  -3.058
  181    H    ILE  20           H        ILE  20  10.094   1.628   0.485
  182    HA   ILE  20           HA       ILE  20  12.335   1.050   2.269
  183    HB   ILE  20           HB       ILE  20   9.550   1.335   2.612
  184   HG12  ILE  20          2HG1      ILE  20  11.630   0.262   4.528
  185   HG13  ILE  20          1HG1      ILE  20  11.375   1.965   4.156
  186   HG21  ILE  20          1HG2      ILE  20  10.419  -1.481   3.327
  187   HG22  ILE  20          2HG2      ILE  20   9.330  -1.081   1.999
  188   HG23  ILE  20          3HG2      ILE  20   8.854  -0.746   3.661
  189   HD11  ILE  20          3HD1      ILE  20  10.173   1.477   6.197
  190   HD12  ILE  20          1HD1      ILE  20   9.403   0.072   5.460
  191   HD13  ILE  20          2HD1      ILE  20   8.985   1.695   4.912
  192    H    VAL  21           H        VAL  21  10.611  -0.354  -0.341
  193    HA   VAL  21           HA       VAL  21  12.152  -2.851   0.001
  194    HB   VAL  21           HB       VAL  21   9.852  -3.284   0.696
  195   HG11  VAL  21          1HG1      VAL  21   9.263  -1.609  -1.624
  196   HG12  VAL  21          2HG1      VAL  21   8.229  -2.044  -0.268
  197   HG13  VAL  21          3HG1      VAL  21   8.346  -3.114  -1.660
  198   HG21  VAL  21          3HG2      VAL  21   9.723  -5.285  -0.416
  199   HG22  VAL  21          1HG2      VAL  21  11.302  -4.795  -1.027
  200   HG23  VAL  21          2HG2      VAL  21   9.858  -4.537  -2.005
  201    H    GLN  22           H        GLN  22  12.602  -0.441  -1.654
  202    HA   GLN  22           HA       GLN  22  13.139  -1.830  -4.118
  203    HB2  GLN  22           2HB      GLN  22  11.715  -0.747  -5.558
  204    HB3  GLN  22           1HB      GLN  22  10.707  -0.754  -4.116
  205    HG2  GLN  22           2HG      GLN  22  10.542   1.486  -4.546
  206    HG3  GLN  22           1HG      GLN  22  12.087   1.560  -3.708
  207   HE21  GLN  22          1HE2      GLN  22  13.182   3.167  -4.902
  208   HE22  GLN  22          2HE2      GLN  22  13.445   3.085  -6.577
  209    H    ARG  23           H        ARG  23  14.280  -0.182  -1.824
  210    HA   ARG  23           HA       ARG  23  15.693   1.698  -1.546
  211    HB2  ARG  23           2HB      ARG  23  17.867   1.034  -2.832
  212    HB3  ARG  23           1HB      ARG  23  17.248  -0.036  -1.573
  213    HG2  ARG  23           2HG      ARG  23  16.230  -1.490  -3.192
  214    HG3  ARG  23           1HG      ARG  23  16.538  -0.347  -4.499
  215    HD2  ARG  23           2HD      ARG  23  18.863  -0.755  -4.469
  216    HD3  ARG  23           1HD      ARG  23  18.804  -1.480  -2.864
  217    HE   ARG  23           HE       ARG  23  17.257  -3.144  -4.386
  218   HH11  ARG  23          1HH2      ARG  23  20.450  -1.833  -4.617
  219   HH12  ARG  23          2HH2      ARG  23  21.101  -3.201  -5.456
  220   HH21  ARG  23          1HH1      ARG  23  18.100  -4.942  -5.488
  221   HH22  ARG  23          2HH1      ARG  23  19.769  -4.962  -5.952
  Start of MODEL   13
    1    H1   LEU   1           1HT      LEU   1 -16.415   1.566   3.483
    2    H2   LEU   1           2HT      LEU   1 -17.914   0.788   3.670
    3    H3   LEU   1           3HT      LEU   1 -17.304   1.102   2.116
    4    HA   LEU   1           HA       LEU   1 -16.756  -1.083   3.897
    5    HB2  LEU   1           2HB      LEU   1 -16.507  -0.463   0.953
    6    HB3  LEU   1           1HB      LEU   1 -15.878  -1.967   1.623
    7    HG   LEU   1           HG       LEU   1 -18.220  -2.162   0.734
    8   HD11  LEU   1          2HD1      LEU   1 -17.150  -3.387   2.878
    9   HD12  LEU   1          3HD1      LEU   1 -18.808  -3.680   2.359
   10   HD13  LEU   1          1HD1      LEU   1 -18.484  -2.561   3.681
   11   HD21  LEU   1          1HD2      LEU   1 -19.033  -0.526   3.141
   12   HD22  LEU   1          2HD2      LEU   1 -20.026  -1.025   1.772
   13   HD23  LEU   1          3HD2      LEU   1 -18.791   0.214   1.558
   14    H    LEU   2           H        LEU   2 -14.706  -2.059   4.185
   15    HA   LEU   2           HA       LEU   2 -12.591  -0.339   4.820
   16    HB2  LEU   2           2HB      LEU   2 -12.896  -2.661   5.683
   17    HB3  LEU   2           1HB      LEU   2 -12.321  -3.250   4.126
   18    HG   LEU   2           HG       LEU   2 -10.346  -1.602   4.496
   19   HD11  LEU   2          1HD1      LEU   2 -11.449  -1.937   7.299
   20   HD12  LEU   2          2HD1      LEU   2 -11.105  -0.428   6.457
   21   HD13  LEU   2          3HD1      LEU   2  -9.781  -1.466   6.979
   22   HD21  LEU   2          3HD2      LEU   2 -10.577  -4.091   6.181
   23   HD22  LEU   2          1HD2      LEU   2  -9.080  -3.327   5.648
   24   HD23  LEU   2          2HD2      LEU   2 -10.169  -4.052   4.465
   25    H    GLY   3           H        GLY   3 -13.036  -2.434   2.038
   26    HA2  GLY   3           2HA      GLY   3 -10.772  -2.327   0.634
   27    HA3  GLY   3           1HA      GLY   3 -12.316  -2.071  -0.176
   28    H    ASP   4           H        ASP   4 -12.902   0.450   1.143
   29    HA   ASP   4           HA       ASP   4 -11.502   2.224  -0.612
   30    HB2  ASP   4           2HB      ASP   4 -13.850   2.572   0.249
   31    HB3  ASP   4           1HB      ASP   4 -13.147   2.964   1.818
   32    H    PHE   5           H        PHE   5 -11.308   1.421   2.816
   33    HA   PHE   5           HA       PHE   5  -9.486   3.366   3.674
   34    HB2  PHE   5           2HB      PHE   5 -10.248   2.186   5.480
   35    HB3  PHE   5           1HB      PHE   5 -10.343   0.678   4.596
   36    HD1  PHE   5           1HD      PHE   5  -8.286  -0.701   4.226
   37    HD2  PHE   5           2HD      PHE   5  -8.276   2.816   6.691
   38    HE1  PHE   5           1HE      PHE   5  -6.131  -1.407   5.227
   39    HE2  PHE   5           2HE      PHE   5  -6.119   2.111   7.690
   40    HZ   PHE   5           HZ       PHE   5  -5.047  -0.001   6.958
   41    H    PHE   6           H        PHE   6  -8.935   0.142   2.311
   42    HA   PHE   6           HA       PHE   6  -6.133   0.172   2.486
   43    HB2  PHE   6           2HB      PHE   6  -8.155  -1.373   0.953
   44    HB3  PHE   6           1HB      PHE   6  -6.512  -1.389   0.313
   45    HD1  PHE   6           1HD      PHE   6  -4.657  -1.565   2.324
   46    HD2  PHE   6           2HD      PHE   6  -8.662  -3.111   2.412
   47    HE1  PHE   6           1HE      PHE   6  -3.982  -3.206   4.054
   48    HE2  PHE   6           2HE      PHE   6  -7.987  -4.754   4.144
   49    HZ   PHE   6           HZ       PHE   6  -5.650  -4.800   4.967
   50    H    ARG   7           H        ARG   7  -8.301   1.278  -0.108
   51    HA   ARG   7           HA       ARG   7  -6.420   1.835  -2.062
   52    HB2  ARG   7           2HB      ARG   7  -8.978   3.267  -1.336
   53    HB3  ARG   7           1HB      ARG   7  -8.010   3.711  -2.740
   54    HG2  ARG   7           2HG      ARG   7  -8.134   1.228  -3.405
   55    HG3  ARG   7           1HG      ARG   7  -9.412   1.092  -2.197
   56    HD2  ARG   7           2HD      ARG   7  -9.398   2.618  -4.777
   57    HD3  ARG   7           1HD      ARG   7 -10.656   1.589  -4.097
   58    HE   ARG   7           HE       ARG   7 -10.517   3.681  -2.345
   59   HH11  ARG   7          1HH2      ARG   7 -10.869   3.348  -5.770
   60   HH12  ARG   7          2HH2      ARG   7 -11.824   4.782  -5.952
   61   HH21  ARG   7          1HH1      ARG   7 -11.766   5.565  -2.574
   62   HH22  ARG   7          2HH1      ARG   7 -12.331   6.038  -4.141
   63    H    LYS   8           H        LYS   8  -7.498   3.995   0.578
   64    HA   LYS   8           HA       LYS   8  -5.661   6.061  -0.146
   65    HB2  LYS   8           2HB      LYS   8  -6.427   7.232   1.730
   66    HB3  LYS   8           1HB      LYS   8  -7.816   6.255   1.270
   67    HG2  LYS   8           2HG      LYS   8  -7.814   5.661   3.474
   68    HG3  LYS   8           1HG      LYS   8  -6.556   4.543   2.976
   69    HD2  LYS   8           2HD      LYS   8  -4.939   6.558   3.410
   70    HD3  LYS   8           1HD      LYS   8  -6.281   7.191   4.364
   71    HE2  LYS   8           2HE      LYS   8  -4.635   4.724   4.825
   72    HE3  LYS   8           1HE      LYS   8  -5.118   5.972   5.974
   73    HZ1  LYS   8           3HZ      LYS   8  -7.019   4.094   4.689
   74    HZ2  LYS   8           1HZ      LYS   8  -7.339   5.167   5.962
   75    HZ3  LYS   8           2HZ      LYS   8  -6.321   3.830   6.215
   76    H    SER   9           H        SER   9  -5.531   3.325   2.074
   77    HA   SER   9           HA       SER   9  -3.029   4.093   3.260
   78    HB2  SER   9           2HB      SER   9  -3.981   1.255   3.237
   79    HB3  SER   9           1HB      SER   9  -3.220   2.169   4.534
   80    HG   SER   9           HG       SER   9  -5.559   3.288   3.753
   81    H    LYS  10           H        LYS  10  -3.977   1.605   0.886
   82    HA   LYS  10           HA       LYS  10  -1.480   0.534   0.346
   83    HB2  LYS  10           2HB      LYS  10  -3.966   0.883  -1.303
   84    HB3  LYS  10           1HB      LYS  10  -2.511   0.221  -2.047
   85    HG2  LYS  10           2HG      LYS  10  -3.339  -0.910   0.591
   86    HG3  LYS  10           1HG      LYS  10  -4.320  -1.337  -0.809
   87    HD2  LYS  10           2HD      LYS  10  -1.357  -1.532  -1.140
   88    HD3  LYS  10           1HD      LYS  10  -2.121  -2.735  -0.103
   89    HE2  LYS  10           2HE      LYS  10  -3.436  -3.595  -1.839
   90    HE3  LYS  10           1HE      LYS  10  -3.302  -2.122  -2.802
   91    HZ1  LYS  10           3HZ      LYS  10  -0.760  -3.319  -2.262
   92    HZ2  LYS  10           1HZ      LYS  10  -1.437  -2.842  -3.742
   93    HZ3  LYS  10           2HZ      LYS  10  -1.798  -4.372  -3.098
   94    H    GLU  11           H        GLU  11  -2.926   3.522  -0.850
   95    HA   GLU  11           HA       GLU  11  -0.899   4.064  -2.785
   96    HB2  GLU  11           2HB      GLU  11  -3.176   5.528  -1.577
   97    HB3  GLU  11           1HB      GLU  11  -1.867   6.524  -2.216
   98    HG2  GLU  11           2HG      GLU  11  -3.334   6.194  -4.045
   99    HG3  GLU  11           1HG      GLU  11  -2.013   5.078  -4.334
  100    H    LYS  12           H        LYS  12  -1.524   5.344   0.485
  101    HA   LYS  12           HA       LYS  12   0.805   6.906   0.698
  102    HB2  LYS  12           2HB      LYS  12  -0.913   5.551   2.784
  103    HB3  LYS  12           1HB      LYS  12   0.441   6.604   3.196
  104    HG2  LYS  12           2HG      LYS  12  -0.622   8.395   1.773
  105    HG3  LYS  12           1HG      LYS  12  -2.030   7.347   1.607
  106    HD2  LYS  12           2HD      LYS  12  -2.262   7.297   4.078
  107    HD3  LYS  12           1HD      LYS  12  -0.893   8.401   4.213
  108    HE2  LYS  12           2HE      LYS  12  -3.597   8.939   2.972
  109    HE3  LYS  12           1HE      LYS  12  -2.835   9.781   4.322
  110    HZ1  LYS  12           3HZ      LYS  12  -2.283  11.219   2.695
  111    HZ2  LYS  12           1HZ      LYS  12  -2.379  10.057   1.463
  112    HZ3  LYS  12           2HZ      LYS  12  -0.998  10.135   2.448
  113    H    ILE  13           H        ILE  13   0.162   3.548   1.721
  114    HA   ILE  13           HA       ILE  13   2.747   3.043   2.727
  115    HB   ILE  13           HB       ILE  13   0.393   1.390   1.860
  116   HG12  ILE  13          2HG1      ILE  13   0.875   0.542   4.297
  117   HG13  ILE  13          1HG1      ILE  13   1.859   1.999   4.421
  118   HG21  ILE  13          1HG2      ILE  13   2.277   0.096   1.051
  119   HG22  ILE  13          2HG2      ILE  13   1.673  -0.645   2.531
  120   HG23  ILE  13          3HG2      ILE  13   3.135   0.338   2.574
  121   HD11  ILE  13          3HD1      ILE  13  -0.118   3.343   3.697
  122   HD12  ILE  13          1HD1      ILE  13  -0.393   2.484   5.213
  123   HD13  ILE  13          2HD1      ILE  13  -1.083   1.866   3.713
  124    H    GLY  14           H        GLY  14   1.245   2.707  -0.452
  125    HA2  GLY  14           2HA      GLY  14   3.077   1.149  -1.779
  126    HA3  GLY  14           1HA      GLY  14   2.204   2.478  -2.537
  127    H    LYS  15           H        LYS  15   3.226   4.692  -1.345
  128    HA   LYS  15           HA       LYS  15   5.820   4.851  -2.577
  129    HB2  LYS  15           2HB      LYS  15   5.077   6.962  -2.800
  130    HB3  LYS  15           1HB      LYS  15   3.788   6.684  -1.641
  131    HG2  LYS  15           2HG      LYS  15   6.580   7.137  -0.607
  132    HG3  LYS  15           1HG      LYS  15   5.653   8.513  -1.186
  133    HD2  LYS  15           2HD      LYS  15   3.759   7.739   0.331
  134    HD3  LYS  15           1HD      LYS  15   4.908   6.618   1.051
  135    HE2  LYS  15           2HE      LYS  15   5.366   8.356   2.454
  136    HE3  LYS  15           1HE      LYS  15   6.351   8.941   1.114
  137    HZ1  LYS  15           3HZ      LYS  15   4.883  10.547   0.620
  138    HZ2  LYS  15           1HZ      LYS  15   4.384  10.344   2.228
  139    HZ3  LYS  15           2HZ      LYS  15   3.527   9.586   0.973
  140    H    GLU  16           H        GLU  16   4.621   4.542   0.704
  141    HA   GLU  16           HA       GLU  16   7.162   5.083   1.937
  142    HB2  GLU  16           2HB      GLU  16   4.533   4.915   2.820
  143    HB3  GLU  16           1HB      GLU  16   5.288   3.488   3.527
  144    HG2  GLU  16           2HG      GLU  16   7.102   4.909   4.434
  145    HG3  GLU  16           1HG      GLU  16   6.317   6.331   3.748
  146    H    PHE  17           H        PHE  17   5.311   2.153   1.163
  147    HA   PHE  17           HA       PHE  17   7.242   0.377   2.289
  148    HB2  PHE  17           2HB      PHE  17   5.427  -0.932   2.146
  149    HB3  PHE  17           1HB      PHE  17   4.643   0.199   1.060
  150    HD1  PHE  17           2HD      PHE  17   5.086   0.079  -1.408
  151    HD2  PHE  17           1HD      PHE  17   6.408  -2.942   1.338
  152    HE1  PHE  17           2HE      PHE  17   5.358  -1.508  -3.287
  153    HE2  PHE  17           1HE      PHE  17   6.679  -4.532  -0.535
  154    HZ   PHE  17           HZ       PHE  17   6.159  -3.818  -2.857
  155    H    LYS  18           H        LYS  18   6.967   1.976  -0.789
  156    HA   LYS  18           HA       LYS  18   8.614   0.124  -2.245
  157    HB2  LYS  18           2HB      LYS  18   7.408   2.788  -2.734
  158    HB3  LYS  18           1HB      LYS  18   8.886   2.446  -3.631
  159    HG2  LYS  18           2HG      LYS  18   7.947   0.631  -4.762
  160    HG3  LYS  18           1HG      LYS  18   6.714   0.369  -3.530
  161    HD2  LYS  18           2HD      LYS  18   5.301   1.951  -4.405
  162    HD3  LYS  18           1HD      LYS  18   6.623   2.995  -4.933
  163    HE2  LYS  18           2HE      LYS  18   6.089   0.343  -6.274
  164    HE3  LYS  18           1HE      LYS  18   5.239   1.808  -6.766
  165    HZ1  LYS  18           3HZ      LYS  18   7.301   1.359  -8.037
  166    HZ2  LYS  18           1HZ      LYS  18   8.193   1.577  -6.612
  167    HZ3  LYS  18           2HZ      LYS  18   7.298   2.869  -7.258
  168    H    ARG  19           H        ARG  19   9.215   3.222  -0.601
  169    HA   ARG  19           HA       ARG  19  12.010   3.250  -1.230
  170    HB2  ARG  19           2HB      ARG  19  10.455   4.748   0.895
  171    HB3  ARG  19           1HB      ARG  19  12.118   5.088   0.416
  172    HG2  ARG  19           2HG      ARG  19  11.424   5.649  -1.835
  173    HG3  ARG  19           1HG      ARG  19   9.772   5.129  -1.501
  174    HD2  ARG  19           2HD      ARG  19  10.368   7.683  -1.382
  175    HD3  ARG  19           1HD      ARG  19   9.319   6.980  -0.153
  176    HE   ARG  19           HE       ARG  19  11.801   6.705   0.926
  177   HH11  ARG  19          1HH2      ARG  19  10.013   9.317  -0.471
  178   HH12  ARG  19          2HH2      ARG  19  10.762  10.535   0.507
  179   HH21  ARG  19          1HH1      ARG  19  12.792   8.299   2.209
  180   HH22  ARG  19          2HH1      ARG  19  12.334   9.958   2.022
  181    H    ILE  20           H        ILE  20  10.174   2.509   1.743
  182    HA   ILE  20           HA       ILE  20  12.320   1.902   3.392
  183    HB   ILE  20           HB       ILE  20   9.672   1.984   3.756
  184   HG12  ILE  20          2HG1      ILE  20  11.524   0.257   5.418
  185   HG13  ILE  20          1HG1      ILE  20  11.446   2.018   5.487
  186   HG21  ILE  20          1HG2      ILE  20   9.427  -0.203   2.489
  187   HG22  ILE  20          2HG2      ILE  20   8.692  -0.170   4.089
  188   HG23  ILE  20          3HG2      ILE  20  10.235  -0.986   3.846
  189   HD11  ILE  20          3HD1      ILE  20  10.050   1.245   7.264
  190   HD12  ILE  20          1HD1      ILE  20   9.282   0.042   6.228
  191   HD13  ILE  20          2HD1      ILE  20   8.955   1.757   5.980
  192    H    VAL  21           H        VAL  21  10.642  -0.142   1.035
  193    HA   VAL  21           HA       VAL  21  12.414  -2.396   1.642
  194    HB   VAL  21           HB       VAL  21  10.121  -2.131  -0.322
  195   HG11  VAL  21          1HG1      VAL  21  11.983  -4.406   0.376
  196   HG12  VAL  21          2HG1      VAL  21  11.569  -3.781  -1.220
  197   HG13  VAL  21          3HG1      VAL  21  10.379  -4.697  -0.298
  198   HG21  VAL  21          3HG2      VAL  21   9.324  -3.994   1.455
  199   HG22  VAL  21          1HG2      VAL  21   9.020  -2.277   1.707
  200   HG23  VAL  21          2HG2      VAL  21  10.380  -3.059   2.512
  201    H    GLN  22           H        GLN  22  14.376  -1.403   0.941
  202    HA   GLN  22           HA       GLN  22  14.651  -0.584  -1.826
  203    HB2  GLN  22           2HB      GLN  22  17.177  -0.622  -1.034
  204    HB3  GLN  22           1HB      GLN  22  16.086   0.656  -0.497
  205    HG2  GLN  22           2HG      GLN  22  15.769  -0.343   1.623
  206    HG3  GLN  22           1HG      GLN  22  16.409  -1.894   1.083
  207   HE21  GLN  22          1HE2      GLN  22  18.272   0.683  -0.160
  208   HE22  GLN  22          2HE2      GLN  22  19.522   0.640   0.988
  209    H    ARG  23           H        ARG  23  13.986  -2.566  -2.846
  210    HA   ARG  23           HA       ARG  23  14.834  -5.112  -2.564
  211    HB2  ARG  23           2HB      ARG  23  14.911  -5.202  -5.140
  212    HB3  ARG  23           1HB      ARG  23  13.402  -4.693  -4.385
  213    HG2  ARG  23           2HG      ARG  23  13.633  -2.500  -5.066
  214    HG3  ARG  23           1HG      ARG  23  15.394  -2.554  -5.007
  215    HD2  ARG  23           2HD      ARG  23  14.305  -2.438  -7.337
  216    HD3  ARG  23           1HD      ARG  23  15.544  -3.666  -7.090
  217    HE   ARG  23           HE       ARG  23  13.213  -4.959  -6.478
  218   HH11  ARG  23          1HH2      ARG  23  14.390  -3.103  -9.149
  219   HH12  ARG  23          2HH2      ARG  23  13.455  -3.954 -10.332
  220   HH21  ARG  23          1HH1      ARG  23  11.981  -6.081  -8.024
  221   HH22  ARG  23          2HH1      ARG  23  12.091  -5.640  -9.695
  Start of MODEL   14
    1    H1   LEU   1           1HT      LEU   1 -18.008   1.262   4.056
    2    H2   LEU   1           2HT      LEU   1 -16.815   2.031   3.123
    3    H3   LEU   1           3HT      LEU   1 -16.555   1.754   4.779
    4    HA   LEU   1           HA       LEU   1 -16.757  -0.690   4.283
    5    HB2  LEU   1           2HB      LEU   1 -16.162   0.240   1.468
    6    HB3  LEU   1           1HB      LEU   1 -16.526  -1.396   2.017
    7    HG   LEU   1           HG       LEU   1 -18.448   0.950   2.058
    8   HD11  LEU   1          2HD1      LEU   1 -18.055   0.103  -0.206
    9   HD12  LEU   1          3HD1      LEU   1 -19.657  -0.389   0.344
   10   HD13  LEU   1          1HD1      LEU   1 -18.330  -1.550   0.344
   11   HD21  LEU   1          1HD2      LEU   1 -18.629  -1.913   3.009
   12   HD22  LEU   1          2HD2      LEU   1 -20.073  -1.001   2.568
   13   HD23  LEU   1          3HD2      LEU   1 -19.044  -0.438   3.885
   14    H    LEU   2           H        LEU   2 -14.766  -1.777   4.290
   15    HA   LEU   2           HA       LEU   2 -12.496  -0.231   4.973
   16    HB2  LEU   2           2HB      LEU   2 -12.929  -2.565   5.730
   17    HB3  LEU   2           1HB      LEU   2 -12.515  -3.111   4.107
   18    HG   LEU   2           HG       LEU   2 -10.381  -1.676   4.408
   19   HD11  LEU   2          1HD1      LEU   2 -10.941  -0.529   6.471
   20   HD12  LEU   2          2HD1      LEU   2  -9.628  -1.648   6.821
   21   HD13  LEU   2          3HD1      LEU   2 -11.279  -2.059   7.279
   22   HD21  LEU   2          3HD2      LEU   2 -10.327  -4.083   4.251
   23   HD22  LEU   2          1HD2      LEU   2 -10.819  -4.234   5.939
   24   HD23  LEU   2          2HD2      LEU   2  -9.239  -3.560   5.539
   25    H    GLY   3           H        GLY   3 -13.284  -2.108   2.112
   26    HA2  GLY   3           2HA      GLY   3 -11.105  -2.078   0.567
   27    HA3  GLY   3           1HA      GLY   3 -12.675  -1.671  -0.120
   28    H    ASP   4           H        ASP   4 -12.991   0.806   1.366
   29    HA   ASP   4           HA       ASP   4 -11.581   2.575  -0.388
   30    HB2  ASP   4           2HB      ASP   4 -13.253   3.061   2.086
   31    HB3  ASP   4           1HB      ASP   4 -12.563   4.357   1.111
   32    H    PHE   5           H        PHE   5 -11.185   1.492   2.929
   33    HA   PHE   5           HA       PHE   5  -9.218   3.305   3.799
   34    HB2  PHE   5           2HB      PHE   5  -9.922   2.081   5.594
   35    HB3  PHE   5           1HB      PHE   5 -10.235   0.653   4.631
   36    HD1  PHE   5           2HD      PHE   5  -8.356  -0.905   4.032
   37    HD2  PHE   5           1HD      PHE   5  -7.826   2.424   6.694
   38    HE1  PHE   5           2HE      PHE   5  -6.229  -1.884   4.839
   39    HE2  PHE   5           1HE      PHE   5  -5.698   1.441   7.501
   40    HZ   PHE   5           HZ       PHE   5  -4.900  -0.714   6.573
   41    H    PHE   6           H        PHE   6  -8.897   0.072   2.367
   42    HA   PHE   6           HA       PHE   6  -6.117  -0.075   2.321
   43    HB2  PHE   6           2HB      PHE   6  -8.344  -1.396   0.881
   44    HB3  PHE   6           1HB      PHE   6  -6.768  -1.488   0.100
   45    HD1  PHE   6           1HD      PHE   6  -4.757  -1.945   1.855
   46    HD2  PHE   6           2HD      PHE   6  -8.860  -3.097   2.387
   47    HE1  PHE   6           1HE      PHE   6  -4.055  -3.695   3.468
   48    HE2  PHE   6           2HE      PHE   6  -8.158  -4.849   3.996
   49    HZ   PHE   6           HZ       PHE   6  -5.762  -5.143   4.541
   50    H    ARG   7           H        ARG   7  -8.308   1.141  -0.231
   51    HA   ARG   7           HA       ARG   7  -6.416   1.743  -2.160
   52    HB2  ARG   7           2HB      ARG   7  -8.957   3.195  -1.400
   53    HB3  ARG   7           1HB      ARG   7  -7.996   3.622  -2.815
   54    HG2  ARG   7           2HG      ARG   7  -8.190   1.228  -3.577
   55    HG3  ARG   7           1HG      ARG   7  -9.320   0.956  -2.250
   56    HD2  ARG   7           2HD      ARG   7  -9.662   2.641  -4.711
   57    HD3  ARG   7           1HD      ARG   7 -10.773   1.472  -4.002
   58    HE   ARG   7           HE       ARG   7 -10.594   3.442  -2.109
   59   HH11  ARG   7          1HH2      ARG   7 -11.307   3.306  -5.491
   60   HH12  ARG   7          2HH2      ARG   7 -12.368   4.676  -5.464
   61   HH21  ARG   7          1HH1      ARG   7 -11.984   5.239  -2.065
   62   HH22  ARG   7          2HH1      ARG   7 -12.750   5.769  -3.525
   63    H    LYS   8           H        LYS   8  -7.456   3.718   0.600
   64    HA   LYS   8           HA       LYS   8  -5.694   5.894   0.014
   65    HB2  LYS   8           2HB      LYS   8  -7.670   6.290   1.356
   66    HB3  LYS   8           1HB      LYS   8  -7.151   5.096   2.545
   67    HG2  LYS   8           2HG      LYS   8  -5.269   6.452   3.198
   68    HG3  LYS   8           1HG      LYS   8  -5.541   7.569   1.860
   69    HD2  LYS   8           2HD      LYS   8  -7.523   8.430   2.832
   70    HD3  LYS   8           1HD      LYS   8  -7.658   7.079   3.958
   71    HE2  LYS   8           2HE      LYS   8  -6.713   9.402   4.790
   72    HE3  LYS   8           1HE      LYS   8  -5.985   7.899   5.356
   73    HZ1  LYS   8           3HZ      LYS   8  -4.472   9.739   4.434
   74    HZ2  LYS   8           1HZ      LYS   8  -4.996   9.210   2.910
   75    HZ3  LYS   8           2HZ      LYS   8  -4.189   8.135   3.949
   76    H    SER   9           H        SER   9  -5.518   3.010   2.044
   77    HA   SER   9           HA       SER   9  -3.033   3.722   3.282
   78    HB2  SER   9           2HB      SER   9  -4.006   0.893   3.019
   79    HB3  SER   9           1HB      SER   9  -3.155   1.656   4.359
   80    HG   SER   9           HG       SER   9  -5.850   1.690   3.676
   81    H    LYS  10           H        LYS  10  -3.907   1.399   0.709
   82    HA   LYS  10           HA       LYS  10  -1.375   0.441   0.120
   83    HB2  LYS  10           2HB      LYS  10  -3.933   0.684  -1.345
   84    HB3  LYS  10           1HB      LYS  10  -2.506   0.544  -2.369
   85    HG2  LYS  10           2HG      LYS  10  -1.924  -1.556  -1.496
   86    HG3  LYS  10           1HG      LYS  10  -2.878  -1.321  -0.032
   87    HD2  LYS  10           2HD      LYS  10  -4.879  -1.847  -1.081
   88    HD3  LYS  10           1HD      LYS  10  -4.306  -1.344  -2.667
   89    HE2  LYS  10           2HE      LYS  10  -3.018  -3.326  -2.946
   90    HE3  LYS  10           1HE      LYS  10  -3.162  -3.749  -1.239
   91    HZ1  LYS  10           3HZ      LYS  10  -5.300  -3.772  -3.293
   92    HZ2  LYS  10           1HZ      LYS  10  -5.609  -3.914  -1.631
   93    HZ3  LYS  10           2HZ      LYS  10  -4.680  -5.095  -2.426
   94    H    GLU  11           H        GLU  11  -2.930   3.443  -0.939
   95    HA   GLU  11           HA       GLU  11  -0.913   4.236  -2.768
   96    HB2  GLU  11           2HB      GLU  11  -3.040   5.703  -1.223
   97    HB3  GLU  11           1HB      GLU  11  -1.857   6.590  -2.184
   98    HG2  GLU  11           2HG      GLU  11  -2.497   5.346  -4.186
   99    HG3  GLU  11           1HG      GLU  11  -3.619   4.363  -3.247
  100    H    LYS  12           H        LYS  12  -1.482   5.094   0.645
  101    HA   LYS  12           HA       LYS  12   0.836   6.680   0.961
  102    HB2  LYS  12           2HB      LYS  12  -0.965   5.206   2.873
  103    HB3  LYS  12           1HB      LYS  12   0.491   6.018   3.452
  104    HG2  LYS  12           2HG      LYS  12  -0.288   8.130   2.415
  105    HG3  LYS  12           1HG      LYS  12  -1.762   7.315   1.888
  106    HD2  LYS  12           2HD      LYS  12  -2.554   7.051   4.088
  107    HD3  LYS  12           1HD      LYS  12  -0.955   7.294   4.792
  108    HE2  LYS  12           2HE      LYS  12  -2.685   9.247   4.909
  109    HE3  LYS  12           1HE      LYS  12  -1.020   9.616   4.461
  110    HZ1  LYS  12           3HZ      LYS  12  -1.806   9.269   2.088
  111    HZ2  LYS  12           1HZ      LYS  12  -2.315  10.687   2.868
  112    HZ3  LYS  12           2HZ      LYS  12  -3.385   9.377   2.706
  113    H    ILE  13           H        ILE  13   0.220   3.237   1.690
  114    HA   ILE  13           HA       ILE  13   2.843   2.687   2.603
  115    HB   ILE  13           HB       ILE  13   0.499   1.046   1.673
  116   HG12  ILE  13          2HG1      ILE  13   0.955   0.118   4.077
  117   HG13  ILE  13          1HG1      ILE  13   1.924   1.576   4.279
  118   HG21  ILE  13          1HG2      ILE  13   3.278   0.076   2.329
  119   HG22  ILE  13          2HG2      ILE  13   2.363  -0.208   0.846
  120   HG23  ILE  13          3HG2      ILE  13   1.858  -0.966   2.354
  121   HD11  ILE  13          3HD1      ILE  13  -0.355   1.973   5.067
  122   HD12  ILE  13          1HD1      ILE  13  -1.004   1.458   3.512
  123   HD13  ILE  13          2HD1      ILE  13  -0.053   2.938   3.624
  124    H    GLY  14           H        GLY  14   1.230   2.527  -0.540
  125    HA2  GLY  14           2HA      GLY  14   3.047   1.079  -2.022
  126    HA3  GLY  14           1HA      GLY  14   2.114   2.427  -2.671
  127    H    LYS  15           H        LYS  15   3.141   4.577  -1.327
  128    HA   LYS  15           HA       LYS  15   5.617   4.989  -2.692
  129    HB2  LYS  15           2HB      LYS  15   3.833   6.572  -0.916
  130    HB3  LYS  15           1HB      LYS  15   5.525   7.067  -0.955
  131    HG2  LYS  15           2HG      LYS  15   4.270   8.277  -2.672
  132    HG3  LYS  15           1HG      LYS  15   5.411   7.174  -3.438
  133    HD2  LYS  15           2HD      LYS  15   3.623   5.526  -3.780
  134    HD3  LYS  15           1HD      LYS  15   2.473   6.588  -2.966
  135    HE2  LYS  15           2HE      LYS  15   2.685   8.260  -4.693
  136    HE3  LYS  15           1HE      LYS  15   4.026   7.391  -5.440
  137    HZ1  LYS  15           3HZ      LYS  15   2.072   5.527  -5.342
  138    HZ2  LYS  15           1HZ      LYS  15   2.457   6.466  -6.701
  139    HZ3  LYS  15           2HZ      LYS  15   1.195   6.945  -5.669
  140    H    GLU  16           H        GLU  16   4.826   4.911   0.790
  141    HA   GLU  16           HA       GLU  16   7.458   4.948   1.741
  142    HB2  GLU  16           2HB      GLU  16   4.931   3.748   2.889
  143    HB3  GLU  16           1HB      GLU  16   6.460   3.785   3.767
  144    HG2  GLU  16           2HG      GLU  16   6.538   6.239   3.543
  145    HG3  GLU  16           1HG      GLU  16   5.013   6.208   2.657
  146    H    PHE  17           H        PHE  17   5.356   2.227   0.843
  147    HA   PHE  17           HA       PHE  17   6.932   0.093   1.616
  148    HB2  PHE  17           2HB      PHE  17   4.686  -0.150   0.671
  149    HB3  PHE  17           1HB      PHE  17   5.292   0.330  -0.910
  150    HD1  PHE  17           2HD      PHE  17   5.851  -2.144   1.826
  151    HD2  PHE  17           1HD      PHE  17   6.117  -1.311  -2.377
  152    HE1  PHE  17           2HE      PHE  17   6.486  -4.499   1.406
  153    HE2  PHE  17           1HE      PHE  17   6.751  -3.669  -2.802
  154    HZ   PHE  17           HZ       PHE  17   6.940  -5.266  -0.912
  155    H    LYS  18           H        LYS  18   7.159   2.056  -1.332
  156    HA   LYS  18           HA       LYS  18   9.157   0.486  -2.579
  157    HB2  LYS  18           2HB      LYS  18   7.592   2.522  -3.397
  158    HB3  LYS  18           1HB      LYS  18   9.097   3.402  -3.137
  159    HG2  LYS  18           2HG      LYS  18   9.382   2.695  -5.335
  160    HG3  LYS  18           1HG      LYS  18  10.155   1.371  -4.464
  161    HD2  LYS  18           2HD      LYS  18   8.060   0.072  -4.574
  162    HD3  LYS  18           1HD      LYS  18   7.283   1.397  -5.441
  163    HE2  LYS  18           2HE      LYS  18   7.982  -0.129  -7.130
  164    HE3  LYS  18           1HE      LYS  18   9.170   1.174  -7.162
  165    HZ1  LYS  18           3HZ      LYS  18  10.242  -0.985  -7.196
  166    HZ2  LYS  18           1HZ      LYS  18   9.477  -1.419  -5.746
  167    HZ3  LYS  18           2HZ      LYS  18  10.618  -0.160  -5.760
  168    H    ARG  19           H        ARG  19   9.377   3.328  -0.454
  169    HA   ARG  19           HA       ARG  19  12.288   3.296  -0.629
  170    HB2  ARG  19           2HB      ARG  19  12.049   5.202   1.076
  171    HB3  ARG  19           1HB      ARG  19  11.431   5.489  -0.548
  172    HG2  ARG  19           2HG      ARG  19   9.158   4.913   0.220
  173    HG3  ARG  19           1HG      ARG  19   9.776   4.645   1.847
  174    HD2  ARG  19           2HD      ARG  19   8.891   6.866   1.820
  175    HD3  ARG  19           1HD      ARG  19  10.646   7.032   1.776
  176    HE   ARG  19           HE       ARG  19   9.955   7.028  -0.858
  177   HH11  ARG  19          1HH2      ARG  19   8.905   8.765   1.943
  178   HH12  ARG  19          2HH2      ARG  19   8.514  10.210   1.071
  179   HH21  ARG  19          1HH1      ARG  19   9.445   8.917  -2.009
  180   HH22  ARG  19          2HH1      ARG  19   8.819  10.296  -1.168
  181    H    ILE  20           H        ILE  20   9.826   2.865   1.920
  182    HA   ILE  20           HA       ILE  20  11.531   2.308   4.033
  183    HB   ILE  20           HB       ILE  20   8.900   2.554   3.843
  184   HG12  ILE  20          2HG1      ILE  20  10.274   0.781   5.880
  185   HG13  ILE  20          1HG1      ILE  20  10.217   2.543   5.910
  186   HG21  ILE  20          1HG2      ILE  20   8.847   0.295   2.597
  187   HG22  ILE  20          2HG2      ILE  20   7.683   0.531   3.896
  188   HG23  ILE  20          3HG2      ILE  20   9.131  -0.436   4.175
  189   HD11  ILE  20          3HD1      ILE  20   7.889   0.629   6.164
  190   HD12  ILE  20          1HD1      ILE  20   7.689   2.363   5.908
  191   HD13  ILE  20          2HD1      ILE  20   8.472   1.771   7.374
  192    H    VAL  21           H        VAL  21  10.367   0.182   1.469
  193    HA   VAL  21           HA       VAL  21  11.674  -2.131   2.670
  194    HB   VAL  21           HB       VAL  21   9.395  -2.035   1.335
  195   HG11  VAL  21          1HG1      VAL  21   9.506  -2.264  -0.979
  196   HG12  VAL  21          2HG1      VAL  21  11.174  -2.829  -0.951
  197   HG13  VAL  21          3HG1      VAL  21  10.819  -1.121  -0.697
  198   HG21  VAL  21          3HG2      VAL  21   9.785  -4.421   0.657
  199   HG22  VAL  21          1HG2      VAL  21  10.281  -4.070   2.313
  200   HG23  VAL  21          2HG2      VAL  21  11.494  -4.203   1.040
  201    H    GLN  22           H        GLN  22  13.097   0.279   1.610
  202    HA   GLN  22           HA       GLN  22  14.546   0.588  -0.413
  203    HB2  GLN  22           2HB      GLN  22  16.754   0.113   0.815
  204    HB3  GLN  22           1HB      GLN  22  15.633   1.249   1.567
  205    HG2  GLN  22           2HG      GLN  22  14.777  -0.506   3.032
  206    HG3  GLN  22           1HG      GLN  22  15.800  -1.702   2.239
  207   HE21  GLN  22          1HE2      GLN  22  17.989   0.495   2.056
  208   HE22  GLN  22          2HE2      GLN  22  18.667   0.502   3.612
  209    H    ARG  23           H        ARG  23  13.716  -1.192  -1.824
  210    HA   ARG  23           HA       ARG  23  14.638  -3.824  -1.754
  211    HB2  ARG  23           2HB      ARG  23  14.308  -3.716  -4.286
  212    HB3  ARG  23           1HB      ARG  23  12.909  -3.304  -3.294
  213    HG2  ARG  23           2HG      ARG  23  13.144  -0.994  -3.701
  214    HG3  ARG  23           1HG      ARG  23  14.819  -1.165  -4.229
  215    HD2  ARG  23           2HD      ARG  23  12.586  -2.502  -5.748
  216    HD3  ARG  23           1HD      ARG  23  12.987  -0.812  -6.041
  217    HE   ARG  23           HE       ARG  23  15.399  -2.080  -6.217
  218   HH11  ARG  23          1HH2      ARG  23  12.276  -2.513  -7.642
  219   HH12  ARG  23          2HH2      ARG  23  12.890  -3.156  -9.128
  220   HH21  ARG  23          1HH1      ARG  23  16.212  -2.922  -8.164
  221   HH22  ARG  23          2HH1      ARG  23  15.119  -3.387  -9.424
  Start of MODEL   15
    1    H1   LEU   1           1HT      LEU   1 -17.960   0.916   2.429
    2    H2   LEU   1           2HT      LEU   1 -16.996   0.342   3.705
    3    H3   LEU   1           3HT      LEU   1 -18.174  -0.664   3.004
    4    HA   LEU   1           HA       LEU   1 -16.624  -1.466   1.663
    5    HB2  LEU   1           2HB      LEU   1 -16.833   1.393   0.728
    6    HB3  LEU   1           1HB      LEU   1 -15.720   0.273  -0.059
    7    HG   LEU   1           HG       LEU   1 -17.546  -1.256  -0.569
    8   HD11  LEU   1          2HD1      LEU   1 -18.980  -1.027   1.323
    9   HD12  LEU   1          3HD1      LEU   1 -19.915  -0.434  -0.049
   10   HD13  LEU   1          1HD1      LEU   1 -19.163   0.709   1.065
   11   HD21  LEU   1          1HD2      LEU   1 -17.171   0.530  -2.187
   12   HD22  LEU   1          2HD2      LEU   1 -18.180   1.633  -1.251
   13   HD23  LEU   1          3HD2      LEU   1 -18.904   0.239  -2.052
   14    H    LEU   2           H        LEU   2 -15.271  -1.756   3.627
   15    HA   LEU   2           HA       LEU   2 -13.303  -0.034   4.540
   16    HB2  LEU   2           2HB      LEU   2 -13.817  -2.185   5.596
   17    HB3  LEU   2           1HB      LEU   2 -13.082  -3.030   4.238
   18    HG   LEU   2           HG       LEU   2 -11.288  -0.991   5.167
   19   HD11  LEU   2          1HD1      LEU   2 -12.206  -2.956   7.286
   20   HD12  LEU   2          2HD1      LEU   2 -12.414  -1.205   7.340
   21   HD13  LEU   2          3HD1      LEU   2 -10.797  -1.904   7.420
   22   HD21  LEU   2          3HD2      LEU   2  -9.727  -2.795   5.265
   23   HD22  LEU   2          1HD2      LEU   2 -10.797  -3.110   3.900
   24   HD23  LEU   2          2HD2      LEU   2 -11.021  -3.984   5.415
   25    H    GLY   3           H        GLY   3 -12.904  -2.574   2.134
   26    HA2  GLY   3           2HA      GLY   3 -10.355  -2.394   1.340
   27    HA3  GLY   3           1HA      GLY   3 -11.646  -2.538   0.149
   28    H    ASP   4           H        ASP   4 -12.828   0.051   0.703
   29    HA   ASP   4           HA       ASP   4 -11.363   1.681  -1.073
   30    HB2  ASP   4           2HB      ASP   4 -13.842   1.865  -0.363
   31    HB3  ASP   4           1HB      ASP   4 -13.239   2.767   1.025
   32    H    PHE   5           H        PHE   5 -11.544   1.541   2.451
   33    HA   PHE   5           HA       PHE   5  -9.904   3.730   3.083
   34    HB2  PHE   5           2HB      PHE   5 -10.636   2.999   5.089
   35    HB3  PHE   5           1HB      PHE   5 -11.014   1.413   4.456
   36    HD1  PHE   5           1HD      PHE   5  -9.237  -0.367   4.396
   37    HD2  PHE   5           2HD      PHE   5  -8.613   3.447   6.269
   38    HE1  PHE   5           1HE      PHE   5  -7.275  -1.276   5.607
   39    HE2  PHE   5           2HE      PHE   5  -6.648   2.536   7.476
   40    HZ   PHE   5           HZ       PHE   5  -5.980   0.171   7.144
   41    H    PHE   6           H        PHE   6  -9.132   0.302   2.632
   42    HA   PHE   6           HA       PHE   6  -6.384   0.439   3.055
   43    HB2  PHE   6           2HB      PHE   6  -8.240  -1.410   1.703
   44    HB3  PHE   6           1HB      PHE   6  -6.589  -1.479   1.098
   45    HD1  PHE   6           1HD      PHE   6  -4.860  -1.080   3.334
   46    HD2  PHE   6           2HD      PHE   6  -8.642  -3.109   3.228
   47    HE1  PHE   6           1HE      PHE   6  -4.185  -2.432   5.297
   48    HE2  PHE   6           2HE      PHE   6  -7.970  -4.462   5.196
   49    HZ   PHE   6           HZ       PHE   6  -5.743  -4.123   6.232
   50    H    ARG   7           H        ARG   7  -8.183   0.853   0.003
   51    HA   ARG   7           HA       ARG   7  -6.055   1.163  -1.739
   52    HB2  ARG   7           2HB      ARG   7  -8.801   2.394  -1.672
   53    HB3  ARG   7           1HB      ARG   7  -7.655   2.813  -2.946
   54    HG2  ARG   7           2HG      ARG   7  -7.508   0.548  -3.693
   55    HG3  ARG   7           1HG      ARG   7  -8.331  -0.053  -2.253
   56    HD2  ARG   7           2HD      ARG   7  -9.693   0.173  -4.461
   57    HD3  ARG   7           1HD      ARG   7 -10.421   0.736  -2.960
   58    HE   ARG   7           HE       ARG   7  -9.163   2.955  -3.935
   59   HH11  ARG   7          1HH2      ARG   7 -11.406   0.637  -5.186
   60   HH12  ARG   7          2HH2      ARG   7 -12.178   1.756  -6.258
   61   HH21  ARG   7          1HH1      ARG   7 -10.170   4.430  -5.342
   62   HH22  ARG   7          2HH1      ARG   7 -11.478   3.904  -6.347
   63    H    LYS   8           H        LYS   8  -7.501   3.551   0.440
   64    HA   LYS   8           HA       LYS   8  -5.887   5.737  -0.450
   65    HB2  LYS   8           2HB      LYS   8  -7.445   5.255   2.098
   66    HB3  LYS   8           1HB      LYS   8  -6.606   6.765   1.742
   67    HG2  LYS   8           2HG      LYS   8  -7.992   7.230  -0.123
   68    HG3  LYS   8           1HG      LYS   8  -8.588   5.572  -0.198
   69    HD2  LYS   8           2HD      LYS   8  -9.957   5.845   1.700
   70    HD3  LYS   8           1HD      LYS   8  -9.078   7.274   2.241
   71    HE2  LYS   8           2HE      LYS   8 -11.384   7.651   1.138
   72    HE3  LYS   8           1HE      LYS   8 -10.042   8.642   0.565
   73    HZ1  LYS   8           3HZ      LYS   8 -11.275   7.731  -1.284
   74    HZ2  LYS   8           1HZ      LYS   8 -11.044   6.153  -0.709
   75    HZ3  LYS   8           2HZ      LYS   8  -9.714   7.063  -1.246
   76    H    SER   9           H        SER   9  -5.675   3.438   2.245
   77    HA   SER   9           HA       SER   9  -3.280   4.525   3.343
   78    HB2  SER   9           2HB      SER   9  -3.643   1.691   3.888
   79    HB3  SER   9           1HB      SER   9  -3.714   3.059   4.995
   80    HG   SER   9           HG       SER   9  -5.788   2.313   3.204
   81    H    LYS  10           H        LYS  10  -3.904   1.664   1.292
   82    HA   LYS  10           HA       LYS  10  -1.314   0.733   1.038
   83    HB2  LYS  10           2HB      LYS  10  -3.793   0.515  -0.520
   84    HB3  LYS  10           1HB      LYS  10  -2.345   0.379  -1.513
   85    HG2  LYS  10           2HG      LYS  10  -2.942  -1.836  -0.742
   86    HG3  LYS  10           1HG      LYS  10  -1.477  -1.339   0.104
   87    HD2  LYS  10           2HD      LYS  10  -3.110  -0.463   1.936
   88    HD3  LYS  10           1HD      LYS  10  -4.294  -1.507   1.150
   89    HE2  LYS  10           2HE      LYS  10  -3.244  -2.780   2.920
   90    HE3  LYS  10           1HE      LYS  10  -2.662  -3.409   1.378
   91    HZ1  LYS  10           3HZ      LYS  10  -0.793  -1.679   1.721
   92    HZ2  LYS  10           1HZ      LYS  10  -0.726  -3.150   2.562
   93    HZ3  LYS  10           2HZ      LYS  10  -1.256  -1.744   3.354
   94    H    GLU  11           H        GLU  11  -2.906   3.388  -0.658
   95    HA   GLU  11           HA       GLU  11  -0.884   3.929  -2.544
   96    HB2  GLU  11           2HB      GLU  11  -3.057   5.573  -1.272
   97    HB3  GLU  11           1HB      GLU  11  -1.857   6.351  -2.306
   98    HG2  GLU  11           2HG      GLU  11  -2.430   4.922  -4.165
   99    HG3  GLU  11           1HG      GLU  11  -3.478   3.936  -3.149
  100    H    LYS  12           H        LYS  12  -1.487   5.401   0.659
  101    HA   LYS  12           HA       LYS  12   0.817   7.011   0.708
  102    HB2  LYS  12           2HB      LYS  12  -1.257   6.900   2.327
  103    HB3  LYS  12           1HB      LYS  12  -0.242   5.778   3.231
  104    HG2  LYS  12           2HG      LYS  12   1.555   7.465   3.322
  105    HG3  LYS  12           1HG      LYS  12   0.548   8.589   2.409
  106    HD2  LYS  12           2HD      LYS  12  -1.201   8.216   4.297
  107    HD3  LYS  12           1HD      LYS  12   0.157   7.573   5.220
  108    HE2  LYS  12           2HE      LYS  12   1.385   9.754   4.554
  109    HE3  LYS  12           1HE      LYS  12  -0.217  10.361   4.131
  110    HZ1  LYS  12           3HZ      LYS  12   0.916  10.325   6.630
  111    HZ2  LYS  12           1HZ      LYS  12  -0.226   9.071   6.666
  112    HZ3  LYS  12           2HZ      LYS  12  -0.711  10.647   6.258
  113    H    ILE  13           H        ILE  13   0.277   3.694   1.901
  114    HA   ILE  13           HA       ILE  13   2.901   3.302   2.881
  115    HB   ILE  13           HB       ILE  13   0.591   1.532   2.125
  116   HG12  ILE  13          2HG1      ILE  13   1.073   0.849   4.606
  117   HG13  ILE  13          1HG1      ILE  13   2.017   2.336   4.656
  118   HG21  ILE  13          1HG2      ILE  13   2.441   0.212   1.411
  119   HG22  ILE  13          2HG2      ILE  13   1.998  -0.379   3.011
  120   HG23  ILE  13          3HG2      ILE  13   3.394   0.679   2.820
  121   HD11  ILE  13          3HD1      ILE  13   0.019   3.594   3.878
  122   HD12  ILE  13          1HD1      ILE  13  -0.267   2.774   5.411
  123   HD13  ILE  13          2HD1      ILE  13  -0.912   2.097   3.917
  124    H    GLY  14           H        GLY  14   1.324   2.876  -0.235
  125    HA2  GLY  14           2HA      GLY  14   3.118   1.284  -1.599
  126    HA3  GLY  14           1HA      GLY  14   2.208   2.594  -2.346
  127    H    LYS  15           H        LYS  15   3.242   4.814  -1.161
  128    HA   LYS  15           HA       LYS  15   5.695   5.160  -2.555
  129    HB2  LYS  15           2HB      LYS  15   4.041   6.820  -0.688
  130    HB3  LYS  15           1HB      LYS  15   5.691   7.332  -1.043
  131    HG2  LYS  15           2HG      LYS  15   4.041   8.339  -2.610
  132    HG3  LYS  15           1HG      LYS  15   5.214   7.319  -3.443
  133    HD2  LYS  15           2HD      LYS  15   3.630   5.492  -3.575
  134    HD3  LYS  15           1HD      LYS  15   2.480   6.359  -2.556
  135    HE2  LYS  15           2HE      LYS  15   3.457   7.534  -5.157
  136    HE3  LYS  15           1HE      LYS  15   2.089   6.422  -5.110
  137    HZ1  LYS  15           3HZ      LYS  15   1.942   9.090  -4.720
  138    HZ2  LYS  15           1HZ      LYS  15   1.960   8.501  -3.129
  139    HZ3  LYS  15           2HZ      LYS  15   0.772   7.964  -4.218
  140    H    GLU  16           H        GLU  16   4.979   5.171   0.953
  141    HA   GLU  16           HA       GLU  16   7.670   5.234   1.797
  142    HB2  GLU  16           2HB      GLU  16   5.143   4.210   3.103
  143    HB3  GLU  16           1HB      GLU  16   6.707   4.166   3.919
  144    HG2  GLU  16           2HG      GLU  16   6.935   6.622   3.532
  145    HG3  GLU  16           1HG      GLU  16   5.315   6.633   2.838
  146    H    PHE  17           H        PHE  17   5.464   2.553   1.109
  147    HA   PHE  17           HA       PHE  17   7.065   0.407   1.895
  148    HB2  PHE  17           2HB      PHE  17   4.732   0.156   1.244
  149    HB3  PHE  17           1HB      PHE  17   5.116   0.620  -0.406
  150    HD1  PHE  17           2HD      PHE  17   6.406  -1.777   2.169
  151    HD2  PHE  17           1HD      PHE  17   5.269  -1.132  -1.921
  152    HE1  PHE  17           2HE      PHE  17   6.890  -4.152   1.665
  153    HE2  PHE  17           1HE      PHE  17   5.748  -3.509  -2.428
  154    HZ   PHE  17           HZ       PHE  17   6.564  -5.022  -0.638
  155    H    LYS  18           H        LYS  18   6.890   2.079  -1.240
  156    HA   LYS  18           HA       LYS  18   8.646   0.501  -2.690
  157    HB2  LYS  18           2HB      LYS  18   7.244   2.764  -3.197
  158    HB3  LYS  18           1HB      LYS  18   8.877   3.423  -3.131
  159    HG2  LYS  18           2HG      LYS  18   8.729   2.801  -5.375
  160    HG3  LYS  18           1HG      LYS  18   9.459   1.360  -4.672
  161    HD2  LYS  18           2HD      LYS  18   7.278   0.269  -4.546
  162    HD3  LYS  18           1HD      LYS  18   6.481   1.734  -5.118
  163    HE2  LYS  18           2HE      LYS  18   6.989  -0.148  -6.843
  164    HE3  LYS  18           1HE      LYS  18   7.357   1.519  -7.287
  165    HZ1  LYS  18           3HZ      LYS  18   9.643   1.165  -6.600
  166    HZ2  LYS  18           1HZ      LYS  18   9.200   0.044  -7.793
  167    HZ3  LYS  18           2HZ      LYS  18   9.289  -0.440  -6.167
  168    H    ARG  19           H        ARG  19   9.431   3.314  -0.632
  169    HA   ARG  19           HA       ARG  19  12.258   3.043  -1.097
  170    HB2  ARG  19           2HB      ARG  19  12.440   4.740   0.740
  171    HB3  ARG  19           1HB      ARG  19  11.399   5.237  -0.593
  172    HG2  ARG  19           2HG      ARG  19   9.422   4.575   0.662
  173    HG3  ARG  19           1HG      ARG  19  10.423   4.000   1.991
  174    HD2  ARG  19           2HD      ARG  19  10.118   6.840   1.009
  175    HD3  ARG  19           1HD      ARG  19   9.640   6.209   2.579
  176    HE   ARG  19           HE       ARG  19  12.140   7.301   1.941
  177   HH11  ARG  19          1HH2      ARG  19  10.895   4.412   3.400
  178   HH12  ARG  19          2HH2      ARG  19  12.367   4.047   4.234
  179   HH21  ARG  19          1HH1      ARG  19  14.049   6.829   3.044
  180   HH22  ARG  19          2HH1      ARG  19  14.146   5.414   4.038
  181    H    ILE  20           H        ILE  20   9.976   1.701   1.145
  182    HA   ILE  20           HA       ILE  20  11.967   0.937   3.096
  183    HB   ILE  20           HB       ILE  20   9.214   1.260   3.141
  184   HG12  ILE  20          2HG1      ILE  20  10.932  -0.263   5.113
  185   HG13  ILE  20          1HG1      ILE  20  10.828   1.493   4.995
  186   HG21  ILE  20          1HG2      ILE  20   8.219  -0.868   3.668
  187   HG22  ILE  20          2HG2      ILE  20   9.774  -1.688   3.550
  188   HG23  ILE  20          3HG2      ILE  20   9.009  -1.035   2.102
  189   HD11  ILE  20          3HD1      ILE  20   9.304   0.882   6.727
  190   HD12  ILE  20          1HD1      ILE  20   8.642  -0.443   5.772
  191   HD13  ILE  20          2HD1      ILE  20   8.305   1.227   5.315
  192    H    VAL  21           H        VAL  21  10.390  -0.469   0.326
  193    HA   VAL  21           HA       VAL  21  11.907  -2.982   0.746
  194    HB   VAL  21           HB       VAL  21   9.437  -3.235   0.808
  195   HG11  VAL  21          1HG1      VAL  21   8.888  -2.976  -2.000
  196   HG12  VAL  21          2HG1      VAL  21   9.579  -1.458  -1.435
  197   HG13  VAL  21          3HG1      VAL  21   8.143  -2.113  -0.658
  198   HG21  VAL  21          3HG2      VAL  21  10.487  -4.471  -1.741
  199   HG22  VAL  21          1HG2      VAL  21   9.404  -5.175  -0.541
  200   HG23  VAL  21          2HG2      VAL  21  11.113  -4.958  -0.166
  201    H    GLN  22           H        GLN  22  13.597  -1.426  -0.286
  202    HA   GLN  22           HA       GLN  22  13.346  -0.951  -3.113
  203    HB2  GLN  22           2HB      GLN  22  15.717  -0.804  -1.239
  204    HB3  GLN  22           1HB      GLN  22  15.762  -0.323  -2.936
  205    HG2  GLN  22           2HG      GLN  22  13.798   1.220  -2.416
  206    HG3  GLN  22           1HG      GLN  22  14.109   0.889  -0.713
  207   HE21  GLN  22          1HE2      GLN  22  16.508   1.308  -0.032
  208   HE22  GLN  22          2HE2      GLN  22  17.264   2.658  -0.730
  209    H    ARG  23           H        ARG  23  12.797  -3.138  -3.769
  210    HA   ARG  23           HA       ARG  23  13.301  -5.165  -4.719
  211    HB2  ARG  23           2HB      ARG  23  16.151  -4.155  -4.736
  212    HB3  ARG  23           1HB      ARG  23  15.442  -5.376  -5.793
  213    HG2  ARG  23           2HG      ARG  23  13.806  -3.573  -6.561
  214    HG3  ARG  23           1HG      ARG  23  14.837  -2.412  -5.725
  215    HD2  ARG  23           2HD      ARG  23  15.625  -2.418  -7.963
  216    HD3  ARG  23           1HD      ARG  23  16.778  -3.410  -7.075
  217    HE   ARG  23           HE       ARG  23  14.948  -5.220  -7.986
  218   HH11  ARG  23          1HH2      ARG  23  16.854  -2.706  -9.412
  219   HH12  ARG  23          2HH2      ARG  23  16.995  -3.495 -10.948
  220   HH21  ARG  23          1HH1      ARG  23  15.138  -6.265  -9.995
  221   HH22  ARG  23          2HH1      ARG  23  16.027  -5.510 -11.277
  Start of MODEL   16
    1    H1   LEU   1           1HT      LEU   1 -16.609   1.464   1.106
    2    H2   LEU   1           2HT      LEU   1 -17.915   0.830   1.988
    3    H3   LEU   1           3HT      LEU   1 -17.853   0.636   0.301
    4    HA   LEU   1           HA       LEU   1 -17.097  -1.243   2.023
    5    HB2  LEU   1           2HB      LEU   1 -15.682  -2.099   0.078
    6    HB3  LEU   1           1HB      LEU   1 -17.360  -1.716  -0.297
    7    HG   LEU   1           HG       LEU   1 -15.687   0.646  -0.597
    8   HD11  LEU   1          2HD1      LEU   1 -14.947  -1.787  -2.247
    9   HD12  LEU   1          3HD1      LEU   1 -13.901  -0.959  -1.093
   10   HD13  LEU   1          1HD1      LEU   1 -14.409  -0.139  -2.570
   11   HD21  LEU   1          1HD2      LEU   1 -16.779   0.739  -2.762
   12   HD22  LEU   1          2HD2      LEU   1 -17.970   0.216  -1.570
   13   HD23  LEU   1          3HD2      LEU   1 -17.231  -0.963  -2.654
   14    H    LEU   2           H        LEU   2 -15.593  -1.427   3.543
   15    HA   LEU   2           HA       LEU   2 -13.630   0.260   4.305
   16    HB2  LEU   2           2HB      LEU   2 -14.182  -1.792   5.514
   17    HB3  LEU   2           1HB      LEU   2 -13.378  -2.748   4.277
   18    HG   LEU   2           HG       LEU   2 -11.634  -0.632   5.115
   19   HD11  LEU   2          1HD1      LEU   2 -11.255  -1.496   7.469
   20   HD12  LEU   2          2HD1      LEU   2 -12.793  -2.346   7.325
   21   HD13  LEU   2          3HD1      LEU   2 -12.749  -0.584   7.250
   22   HD21  LEU   2          3HD2      LEU   2 -11.072  -2.840   4.060
   23   HD22  LEU   2          1HD2      LEU   2 -11.398  -3.596   5.620
   24   HD23  LEU   2          2HD2      LEU   2 -10.088  -2.426   5.464
   25    H    GLY   3           H        GLY   3 -13.104  -2.434   2.114
   26    HA2  GLY   3           2HA      GLY   3 -10.514  -2.360   1.473
   27    HA3  GLY   3           1HA      GLY   3 -11.728  -2.537   0.209
   28    H    ASP   4           H        ASP   4 -12.859   0.121   0.533
   29    HA   ASP   4           HA       ASP   4 -11.199   1.586  -1.222
   30    HB2  ASP   4           2HB      ASP   4 -12.768   3.321  -1.047
   31    HB3  ASP   4           1HB      ASP   4 -13.730   1.884  -0.715
   32    H    PHE   5           H        PHE   5 -11.715   1.751   2.275
   33    HA   PHE   5           HA       PHE   5 -10.068   3.909   2.909
   34    HB2  PHE   5           2HB      PHE   5 -10.959   3.277   4.889
   35    HB3  PHE   5           1HB      PHE   5 -11.263   1.648   4.323
   36    HD1  PHE   5           1HD      PHE   5  -9.499  -0.103   4.529
   37    HD2  PHE   5           2HD      PHE   5  -8.986   3.848   6.134
   38    HE1  PHE   5           1HE      PHE   5  -7.611  -0.905   5.916
   39    HE2  PHE   5           2HE      PHE   5  -7.092   3.042   7.517
   40    HZ   PHE   5           HZ       PHE   5  -6.404   0.662   7.408
   41    H    PHE   6           H        PHE   6  -9.290   0.452   2.711
   42    HA   PHE   6           HA       PHE   6  -6.559   0.636   3.270
   43    HB2  PHE   6           2HB      PHE   6  -8.331  -1.318   1.937
   44    HB3  PHE   6           1HB      PHE   6  -6.640  -1.419   1.462
   45    HD1  PHE   6           1HD      PHE   6  -5.065  -0.881   3.771
   46    HD2  PHE   6           2HD      PHE   6  -8.858  -2.884   3.555
   47    HE1  PHE   6           1HE      PHE   6  -4.540  -2.096   5.865
   48    HE2  PHE   6           2HE      PHE   6  -8.335  -4.097   5.654
   49    HZ   PHE   6           HZ       PHE   6  -6.177  -3.704   6.810
   50    H    ARG   7           H        ARG   7  -8.273   0.954   0.178
   51    HA   ARG   7           HA       ARG   7  -6.120   1.090  -1.560
   52    HB2  ARG   7           2HB      ARG   7  -8.901   1.770  -1.627
   53    HB3  ARG   7           1HB      ARG   7  -7.998   3.099  -2.352
   54    HG2  ARG   7           2HG      ARG   7  -6.834   1.497  -3.832
   55    HG3  ARG   7           1HG      ARG   7  -7.750   0.172  -3.114
   56    HD2  ARG   7           2HD      ARG   7  -8.752   0.941  -5.252
   57    HD3  ARG   7           1HD      ARG   7  -9.848   1.159  -3.890
   58    HE   ARG   7           HE       ARG   7  -8.554   3.557  -4.058
   59   HH11  ARG   7          1HH2      ARG   7 -10.273   1.523  -6.269
   60   HH12  ARG   7          2HH2      ARG   7 -10.849   2.834  -7.243
   61   HH21  ARG   7          1HH1      ARG   7  -9.305   5.281  -5.331
   62   HH22  ARG   7          2HH1      ARG   7 -10.301   4.962  -6.712
   63    H    LYS   8           H        LYS   8  -7.445   3.578   0.565
   64    HA   LYS   8           HA       LYS   8  -5.736   5.672  -0.389
   65    HB2  LYS   8           2HB      LYS   8  -7.681   5.302   1.826
   66    HB3  LYS   8           1HB      LYS   8  -6.427   6.512   2.094
   67    HG2  LYS   8           2HG      LYS   8  -7.071   7.766   0.188
   68    HG3  LYS   8           1HG      LYS   8  -8.030   6.438  -0.465
   69    HD2  LYS   8           2HD      LYS   8  -9.780   6.776   1.042
   70    HD3  LYS   8           1HD      LYS   8  -8.744   7.575   2.224
   71    HE2  LYS   8           2HE      LYS   8  -8.645   9.580   0.924
   72    HE3  LYS   8           1HE      LYS   8  -9.354   8.785  -0.481
   73    HZ1  LYS   8           3HZ      LYS   8 -10.642   9.720   1.975
   74    HZ2  LYS   8           1HZ      LYS   8 -11.279   8.339   1.223
   75    HZ3  LYS   8           2HZ      LYS   8 -11.184   9.803   0.366
   76    H    SER   9           H        SER   9  -5.646   3.414   2.349
   77    HA   SER   9           HA       SER   9  -3.227   4.452   3.460
   78    HB2  SER   9           2HB      SER   9  -4.467   1.714   3.804
   79    HB3  SER   9           1HB      SER   9  -3.235   2.433   4.835
   80    HG   SER   9           HG       SER   9  -5.814   3.519   4.344
   81    H    LYS  10           H        LYS  10  -3.945   1.556   1.496
   82    HA   LYS  10           HA       LYS  10  -1.386   0.524   1.277
   83    HB2  LYS  10           2HB      LYS  10  -3.865   0.382  -0.319
   84    HB3  LYS  10           1HB      LYS  10  -2.395   0.065  -1.238
   85    HG2  LYS  10           2HG      LYS  10  -3.234  -2.031  -0.319
   86    HG3  LYS  10           1HG      LYS  10  -1.724  -1.610   0.489
   87    HD2  LYS  10           2HD      LYS  10  -2.852  -0.871   2.445
   88    HD3  LYS  10           1HD      LYS  10  -4.409  -0.818   1.617
   89    HE2  LYS  10           2HE      LYS  10  -3.761  -2.869   3.193
   90    HE3  LYS  10           1HE      LYS  10  -4.702  -3.113   1.721
   91    HZ1  LYS  10           3HZ      LYS  10  -1.771  -3.163   1.564
   92    HZ2  LYS  10           1HZ      LYS  10  -2.915  -3.972   0.608
   93    HZ3  LYS  10           2HZ      LYS  10  -2.582  -4.524   2.180
   94    H    GLU  11           H        GLU  11  -2.902   3.143  -0.559
   95    HA   GLU  11           HA       GLU  11  -0.855   3.556  -2.440
   96    HB2  GLU  11           2HB      GLU  11  -3.153   5.084  -1.406
   97    HB3  GLU  11           1HB      GLU  11  -1.841   6.069  -2.057
   98    HG2  GLU  11           2HG      GLU  11  -3.383   5.507  -3.848
   99    HG3  GLU  11           1HG      GLU  11  -1.864   4.674  -4.123
  100    H    LYS  12           H        LYS  12  -1.444   5.179   0.689
  101    HA   LYS  12           HA       LYS  12   0.837   6.783   0.730
  102    HB2  LYS  12           2HB      LYS  12  -0.623   5.441   3.021
  103    HB3  LYS  12           1HB      LYS  12   0.618   6.676   3.229
  104    HG2  LYS  12           2HG      LYS  12  -0.877   8.055   1.550
  105    HG3  LYS  12           1HG      LYS  12  -2.142   6.943   2.068
  106    HD2  LYS  12           2HD      LYS  12  -0.457   8.684   3.892
  107    HD3  LYS  12           1HD      LYS  12  -2.147   8.962   3.472
  108    HE2  LYS  12           2HE      LYS  12  -2.680   6.698   4.443
  109    HE3  LYS  12           1HE      LYS  12  -1.013   6.614   5.015
  110    HZ1  LYS  12           3HZ      LYS  12  -1.383   8.668   6.246
  111    HZ2  LYS  12           1HZ      LYS  12  -2.466   7.458   6.735
  112    HZ3  LYS  12           2HZ      LYS  12  -2.997   8.711   5.717
  113    H    ILE  13           H        ILE  13   0.382   3.461   1.931
  114    HA   ILE  13           HA       ILE  13   3.010   3.053   2.830
  115    HB   ILE  13           HB       ILE  13   0.711   1.305   1.994
  116   HG12  ILE  13          2HG1      ILE  13   1.228   0.456   4.401
  117   HG13  ILE  13          1HG1      ILE  13   2.218   1.907   4.538
  118   HG21  ILE  13          1HG2      ILE  13   2.134  -0.667   2.678
  119   HG22  ILE  13          2HG2      ILE  13   3.532   0.401   2.574
  120   HG23  ILE  13          3HG2      ILE  13   2.570   0.061   1.133
  121   HD11  ILE  13          3HD1      ILE  13   0.227   3.267   3.868
  122   HD12  ILE  13          1HD1      ILE  13  -0.010   2.392   5.380
  123   HD13  ILE  13          2HD1      ILE  13  -0.739   1.791   3.890
  124    H    GLY  14           H        GLY  14   1.472   2.899  -0.305
  125    HA2  GLY  14           2HA      GLY  14   3.283   1.367  -1.746
  126    HA3  GLY  14           1HA      GLY  14   2.315   2.672  -2.425
  127    H    LYS  15           H        LYS  15   3.346   4.867  -1.068
  128    HA   LYS  15           HA       LYS  15   5.754   5.262  -2.556
  129    HB2  LYS  15           2HB      LYS  15   5.574   7.499  -1.935
  130    HB3  LYS  15           1HB      LYS  15   3.902   6.950  -1.893
  131    HG2  LYS  15           2HG      LYS  15   4.638   6.385   0.659
  132    HG3  LYS  15           1HG      LYS  15   5.690   7.758   0.348
  133    HD2  LYS  15           2HD      LYS  15   3.087   8.400  -0.668
  134    HD3  LYS  15           1HD      LYS  15   2.889   7.758   0.958
  135    HE2  LYS  15           2HE      LYS  15   4.850   9.949   0.225
  136    HE3  LYS  15           1HE      LYS  15   3.252  10.236   0.912
  137    HZ1  LYS  15           3HZ      LYS  15   5.550   8.846   2.153
  138    HZ2  LYS  15           1HZ      LYS  15   3.972   8.698   2.759
  139    HZ3  LYS  15           2HZ      LYS  15   4.725  10.221   2.715
  140    H    GLU  16           H        GLU  16   5.037   4.768   0.887
  141    HA   GLU  16           HA       GLU  16   7.781   5.049   1.706
  142    HB2  GLU  16           2HB      GLU  16   5.369   3.791   3.039
  143    HB3  GLU  16           1HB      GLU  16   6.952   3.919   3.804
  144    HG2  GLU  16           2HG      GLU  16   6.834   6.425   3.323
  145    HG3  GLU  16           1HG      GLU  16   5.137   6.169   2.918
  146    H    PHE  17           H        PHE  17   5.578   2.337   1.169
  147    HA   PHE  17           HA       PHE  17   7.177   0.167   1.654
  148    HB2  PHE  17           2HB      PHE  17   4.877  -0.051   0.999
  149    HB3  PHE  17           1HB      PHE  17   5.227   0.645  -0.570
  150    HD1  PHE  17           2HD      PHE  17   6.496  -2.091   1.623
  151    HD2  PHE  17           1HD      PHE  17   5.438  -0.848  -2.345
  152    HE1  PHE  17           2HE      PHE  17   6.978  -4.369   0.792
  153    HE2  PHE  17           1HE      PHE  17   5.914  -3.127  -3.184
  154    HZ   PHE  17           HZ       PHE  17   6.694  -4.895  -1.622
  155    H    LYS  18           H        LYS  18   6.980   2.064  -1.356
  156    HA   LYS  18           HA       LYS  18   8.994   0.558  -2.695
  157    HB2  LYS  18           2HB      LYS  18   7.553   3.128  -3.148
  158    HB3  LYS  18           1HB      LYS  18   9.034   2.848  -4.062
  159    HG2  LYS  18           2HG      LYS  18   6.816   0.796  -3.924
  160    HG3  LYS  18           1HG      LYS  18   6.823   2.071  -5.138
  161    HD2  LYS  18           2HD      LYS  18   9.038   0.035  -4.725
  162    HD3  LYS  18           1HD      LYS  18   7.836  -0.011  -6.009
  163    HE2  LYS  18           2HE      LYS  18   9.469   1.100  -7.174
  164    HE3  LYS  18           1HE      LYS  18   8.774   2.506  -6.368
  165    HZ1  LYS  18           3HZ      LYS  18  10.434   1.770  -4.494
  166    HZ2  LYS  18           1HZ      LYS  18  10.947   2.740  -5.789
  167    HZ3  LYS  18           2HZ      LYS  18  11.262   1.070  -5.803
  168    H    ARG  19           H        ARG  19   9.025   2.991  -0.296
  169    HA   ARG  19           HA       ARG  19  11.796   3.776  -0.824
  170    HB2  ARG  19           2HB      ARG  19   9.771   4.667   1.234
  171    HB3  ARG  19           1HB      ARG  19  11.424   5.253   1.191
  172    HG2  ARG  19           2HG      ARG  19   9.836   5.376  -1.347
  173    HG3  ARG  19           1HG      ARG  19   9.456   6.545  -0.083
  174    HD2  ARG  19           2HD      ARG  19  11.399   6.949  -1.930
  175    HD3  ARG  19           1HD      ARG  19  11.452   7.645  -0.311
  176    HE   ARG  19           HE       ARG  19  12.615   5.189  -0.010
  177   HH11  ARG  19          1HH2      ARG  19  13.080   7.915  -2.092
  178   HH12  ARG  19          2HH2      ARG  19  14.783   7.660  -2.278
  179   HH21  ARG  19          1HH1      ARG  19  14.851   4.849  -0.251
  180   HH22  ARG  19          2HH1      ARG  19  15.785   5.924  -1.235
  181    H    ILE  20           H        ILE  20   9.964   1.584   1.128
  182    HA   ILE  20           HA       ILE  20  12.212   1.173   2.975
  183    HB   ILE  20           HB       ILE  20  10.727   0.299   4.475
  184   HG12  ILE  20          2HG1      ILE  20   9.172  -0.798   2.114
  185   HG13  ILE  20          1HG1      ILE  20  10.152  -1.710   3.262
  186   HG21  ILE  20          1HG2      ILE  20   8.921   1.709   4.588
  187   HG22  ILE  20          2HG2      ILE  20   8.420   1.367   2.942
  188   HG23  ILE  20          3HG2      ILE  20   9.735   2.500   3.242
  189   HD11  ILE  20          3HD1      ILE  20   8.599  -0.851   5.086
  190   HD12  ILE  20          1HD1      ILE  20   7.877  -1.993   3.955
  191   HD13  ILE  20          2HD1      ILE  20   7.545  -0.270   3.799
  192    H    VAL  21           H        VAL  21  10.204  -0.606   0.662
  193    HA   VAL  21           HA       VAL  21  11.832  -2.992   0.869
  194    HB   VAL  21           HB       VAL  21   9.296  -2.841   0.380
  195   HG11  VAL  21          1HG1      VAL  21  10.026  -1.270  -1.705
  196   HG12  VAL  21          2HG1      VAL  21   8.556  -2.240  -1.708
  197   HG13  VAL  21          3HG1      VAL  21  10.005  -2.836  -2.513
  198   HG21  VAL  21          3HG2      VAL  21  10.328  -4.975   0.329
  199   HG22  VAL  21          1HG2      VAL  21  11.263  -4.582  -1.113
  200   HG23  VAL  21          2HG2      VAL  21   9.523  -4.840  -1.233
  201    H    GLN  22           H        GLN  22  13.251  -0.614   0.085
  202    HA   GLN  22           HA       GLN  22  13.737  -0.149  -2.553
  203    HB2  GLN  22           2HB      GLN  22  15.981  -0.574  -0.577
  204    HB3  GLN  22           1HB      GLN  22  15.947   0.521  -1.959
  205    HG2  GLN  22           2HG      GLN  22  13.999   1.700  -0.839
  206    HG3  GLN  22           1HG      GLN  22  14.337   0.732   0.594
  207   HE21  GLN  22          1HE2      GLN  22  17.346   0.949  -0.412
  208   HE22  GLN  22          2HE2      GLN  22  17.822   2.450   0.222
  209    H    ARG  23           H        ARG  23  13.327  -1.998  -3.810
  210    HA   ARG  23           HA       ARG  23  14.572  -4.496  -3.524
  211    HB2  ARG  23           2HB      ARG  23  13.933  -4.890  -5.848
  212    HB3  ARG  23           1HB      ARG  23  12.625  -4.076  -4.992
  213    HG2  ARG  23           2HG      ARG  23  12.663  -2.607  -6.734
  214    HG3  ARG  23           1HG      ARG  23  14.082  -1.935  -5.934
  215    HD2  ARG  23           2HD      ARG  23  15.414  -3.733  -7.248
  216    HD3  ARG  23           1HD      ARG  23  13.967  -3.869  -8.242
  217    HE   ARG  23           HE       ARG  23  14.463  -1.183  -8.191
  218   HH11  ARG  23          1HH2      ARG  23  16.299  -4.020  -8.935
  219   HH12  ARG  23          2HH2      ARG  23  17.306  -3.231 -10.102
  220   HH21  ARG  23          1HH1      ARG  23  15.780  -0.141  -9.722
  221   HH22  ARG  23          2HH1      ARG  23  17.011  -1.037 -10.549
  Start of MODEL   17
    1    H1   LEU   1           1HT      LEU   1 -16.776   1.363   5.695
    2    H2   LEU   1           2HT      LEU   1 -18.275   0.933   5.024
    3    H3   LEU   1           3HT      LEU   1 -17.738   2.544   4.949
    4    HA   LEU   1           HA       LEU   1 -17.121   0.313   3.238
    5    HB2  LEU   1           2HB      LEU   1 -17.079   3.329   3.110
    6    HB3  LEU   1           1HB      LEU   1 -16.419   2.355   1.799
    7    HG   LEU   1           HG       LEU   1 -18.827   3.012   1.471
    8   HD11  LEU   1          2HD1      LEU   1 -19.316   1.032   0.399
    9   HD12  LEU   1          3HD1      LEU   1 -18.844   0.038   1.775
   10   HD13  LEU   1          1HD1      LEU   1 -17.610   0.739   0.727
   11   HD21  LEU   1          1HD2      LEU   1 -20.533   2.127   2.868
   12   HD22  LEU   1          2HD2      LEU   1 -19.309   2.728   3.985
   13   HD23  LEU   1          3HD2      LEU   1 -19.422   1.000   3.647
   14    H    LEU   2           H        LEU   2 -15.350  -0.761   4.164
   15    HA   LEU   2           HA       LEU   2 -12.960   0.645   4.936
   16    HB2  LEU   2           2HB      LEU   2 -13.671  -1.543   5.906
   17    HB3  LEU   2           1HB      LEU   2 -13.258  -2.292   4.365
   18    HG   LEU   2           HG       LEU   2 -11.004  -1.030   4.626
   19   HD11  LEU   2          1HD1      LEU   2 -12.065  -1.045   7.464
   20   HD12  LEU   2          2HD1      LEU   2 -11.481   0.343   6.549
   21   HD13  LEU   2          3HD1      LEU   2 -10.351  -0.898   7.084
   22   HD21  LEU   2          3HD2      LEU   2 -10.086  -2.911   5.956
   23   HD22  LEU   2          1HD2      LEU   2 -11.166  -3.434   4.664
   24   HD23  LEU   2          2HD2      LEU   2 -11.739  -3.403   6.332
   25    H    GLY   3           H        GLY   3 -13.860  -1.443   2.258
   26    HA2  GLY   3           2HA      GLY   3 -11.648  -1.803   0.809
   27    HA3  GLY   3           1HA      GLY   3 -13.145  -1.316   0.019
   28    H    ASP   4           H        ASP   4 -13.243   1.325   1.222
   29    HA   ASP   4           HA       ASP   4 -11.594   2.737  -0.647
   30    HB2  ASP   4           2HB      ASP   4 -13.358   3.621   1.640
   31    HB3  ASP   4           1HB      ASP   4 -12.435   4.762   0.663
   32    H    PHE   5           H        PHE   5 -11.412   1.957   2.765
   33    HA   PHE   5           HA       PHE   5  -9.316   3.684   3.524
   34    HB2  PHE   5           2HB      PHE   5 -10.205   2.756   5.408
   35    HB3  PHE   5           1HB      PHE   5 -10.622   1.257   4.604
   36    HD1  PHE   5           1HD      PHE   5  -8.879  -0.526   4.279
   37    HD2  PHE   5           2HD      PHE   5  -8.132   3.033   6.564
   38    HE1  PHE   5           1HE      PHE   5  -6.887  -1.590   5.295
   39    HE2  PHE   5           2HE      PHE   5  -6.136   1.967   7.576
   40    HZ   PHE   5           HZ       PHE   5  -5.514  -0.347   6.940
   41    H    PHE   6           H        PHE   6  -9.274   0.303   2.440
   42    HA   PHE   6           HA       PHE   6  -6.514  -0.103   2.573
   43    HB2  PHE   6           2HB      PHE   6  -8.788  -1.390   1.174
   44    HB3  PHE   6           1HB      PHE   6  -7.192  -1.718   0.507
   45    HD1  PHE   6           2HD      PHE   6  -5.329  -2.086   2.485
   46    HD2  PHE   6           1HD      PHE   6  -9.535  -2.909   2.760
   47    HE1  PHE   6           2HE      PHE   6  -4.893  -3.703   4.317
   48    HE2  PHE   6           1HE      PHE   6  -9.101  -4.528   4.588
   49    HZ   PHE   6           HZ       PHE   6  -6.782  -4.924   5.368
   50    H    ARG   7           H        ARG   7  -8.452   0.853  -0.291
   51    HA   ARG   7           HA       ARG   7  -6.354   1.067  -2.088
   52    HB2  ARG   7           2HB      ARG   7  -7.901   1.957  -3.489
   53    HB3  ARG   7           1HB      ARG   7  -9.038   1.598  -2.194
   54    HG2  ARG   7           2HG      ARG   7  -8.607   3.902  -1.272
   55    HG3  ARG   7           1HG      ARG   7  -7.646   4.241  -2.712
   56    HD2  ARG   7           2HD      ARG   7  -9.694   3.542  -4.068
   57    HD3  ARG   7           1HD      ARG   7 -10.596   3.611  -2.558
   58    HE   ARG   7           HE       ARG   7  -9.331   6.036  -2.680
   59   HH11  ARG   7          1HH2      ARG   7 -11.375   4.192  -4.772
   60   HH12  ARG   7          2HH2      ARG   7 -12.085   5.578  -5.531
   61   HH21  ARG   7          1HH1      ARG   7 -10.254   7.860  -3.668
   62   HH22  ARG   7          2HH1      ARG   7 -11.451   7.656  -4.903
   63    H    LYS   8           H        LYS   8  -7.463   3.404   0.317
   64    HA   LYS   8           HA       LYS   8  -5.598   5.444  -0.462
   65    HB2  LYS   8           2HB      LYS   8  -7.799   5.767   0.811
   66    HB3  LYS   8           1HB      LYS   8  -6.934   5.186   2.233
   67    HG2  LYS   8           2HG      LYS   8  -5.160   6.984   1.632
   68    HG3  LYS   8           1HG      LYS   8  -6.421   7.678   0.612
   69    HD2  LYS   8           2HD      LYS   8  -7.942   7.697   2.612
   70    HD3  LYS   8           1HD      LYS   8  -6.575   7.180   3.598
   71    HE2  LYS   8           2HE      LYS   8  -6.297   9.439   3.876
   72    HE3  LYS   8           1HE      LYS   8  -5.448   9.300   2.337
   73    HZ1  LYS   8           3HZ      LYS   8  -7.909  10.610   2.935
   74    HZ2  LYS   8           1HZ      LYS   8  -8.090   9.506   1.660
   75    HZ3  LYS   8           2HZ      LYS   8  -6.924  10.738   1.555
   76    H    SER   9           H        SER   9  -5.702   2.898   1.992
   77    HA   SER   9           HA       SER   9  -3.231   3.661   3.234
   78    HB2  SER   9           2HB      SER   9  -5.097   2.299   4.299
   79    HB3  SER   9           1HB      SER   9  -4.532   0.938   3.335
   80    HG   SER   9           HG       SER   9  -3.634   1.561   5.629
   81    H    LYS  10           H        LYS  10  -4.154   0.991   1.040
   82    HA   LYS  10           HA       LYS  10  -1.672  -0.194   0.727
   83    HB2  LYS  10           2HB      LYS  10  -4.096   0.052  -1.009
   84    HB3  LYS  10           1HB      LYS  10  -2.617  -0.573  -1.737
   85    HG2  LYS  10           2HG      LYS  10  -2.511  -2.396  -0.217
   86    HG3  LYS  10           1HG      LYS  10  -3.686  -1.658   0.871
   87    HD2  LYS  10           2HD      LYS  10  -5.417  -1.876  -0.918
   88    HD3  LYS  10           1HD      LYS  10  -4.237  -2.722  -1.912
   89    HE2  LYS  10           2HE      LYS  10  -3.965  -4.304   0.125
   90    HE3  LYS  10           1HE      LYS  10  -5.492  -3.615   0.676
   91    HZ1  LYS  10           3HZ      LYS  10  -5.097  -4.798  -2.015
   92    HZ2  LYS  10           1HZ      LYS  10  -6.562  -4.324  -1.305
   93    HZ3  LYS  10           2HZ      LYS  10  -5.715  -5.662  -0.689
   94    H    GLU  11           H        GLU  11  -3.010   2.668  -0.874
   95    HA   GLU  11           HA       GLU  11  -0.821   3.049  -2.663
   96    HB2  GLU  11           2HB      GLU  11  -2.979   4.870  -1.594
   97    HB3  GLU  11           1HB      GLU  11  -1.722   5.455  -2.685
   98    HG2  GLU  11           2HG      GLU  11  -2.400   3.980  -4.426
   99    HG3  GLU  11           1HG      GLU  11  -3.404   3.030  -3.331
  100    H    LYS  12           H        LYS  12  -1.632   4.301   0.553
  101    HA   LYS  12           HA       LYS  12   0.503   6.067   0.899
  102    HB2  LYS  12           2HB      LYS  12  -1.592   5.363   2.434
  103    HB3  LYS  12           1HB      LYS  12  -0.341   4.417   3.237
  104    HG2  LYS  12           2HG      LYS  12  -0.159   6.434   4.381
  105    HG3  LYS  12           1HG      LYS  12   1.028   6.679   3.099
  106    HD2  LYS  12           2HD      LYS  12  -0.910   7.709   1.745
  107    HD3  LYS  12           1HD      LYS  12  -1.787   7.765   3.274
  108    HE2  LYS  12           2HE      LYS  12   0.065   9.073   4.275
  109    HE3  LYS  12           1HE      LYS  12   0.904   9.050   2.724
  110    HZ1  LYS  12           3HZ      LYS  12  -1.111  10.113   1.759
  111    HZ2  LYS  12           1HZ      LYS  12  -0.279  11.084   2.874
  112    HZ3  LYS  12           2HZ      LYS  12  -1.714  10.300   3.336
  113    H    ILE  13           H        ILE  13   0.287   2.573   1.550
  114    HA   ILE  13           HA       ILE  13   2.812   2.196   2.647
  115    HB   ILE  13           HB       ILE  13   0.845   0.508   1.167
  116   HG12  ILE  13          2HG1      ILE  13   1.149  -0.838   3.342
  117   HG13  ILE  13          1HG1      ILE  13   2.061   0.551   3.929
  118   HG21  ILE  13          1HG2      ILE  13   2.789  -0.426   0.249
  119   HG22  ILE  13          2HG2      ILE  13   2.469  -1.433   1.661
  120   HG23  ILE  13          3HG2      ILE  13   3.710  -0.182   1.733
  121   HD11  ILE  13          3HD1      ILE  13  -0.807   0.571   2.959
  122   HD12  ILE  13          1HD1      ILE  13   0.098   2.001   3.456
  123   HD13  ILE  13          2HD1      ILE  13  -0.271   0.739   4.629
  124    H    GLY  14           H        GLY  14   1.692   1.864  -0.719
  125    HA2  GLY  14           2HA      GLY  14   4.018   1.117  -1.950
  126    HA3  GLY  14           1HA      GLY  14   2.825   2.168  -2.710
  127    H    LYS  15           H        LYS  15   3.149   4.323  -0.767
  128    HA   LYS  15           HA       LYS  15   5.339   5.654  -2.022
  129    HB2  LYS  15           2HB      LYS  15   3.253   6.332  -0.056
  130    HB3  LYS  15           1HB      LYS  15   4.781   7.162   0.230
  131    HG2  LYS  15           2HG      LYS  15   3.408   8.519  -1.255
  132    HG3  LYS  15           1HG      LYS  15   4.781   7.891  -2.164
  133    HD2  LYS  15           2HD      LYS  15   3.446   6.235  -3.237
  134    HD3  LYS  15           1HD      LYS  15   2.113   6.471  -2.105
  135    HE2  LYS  15           2HE      LYS  15   3.097   8.493  -4.142
  136    HE3  LYS  15           1HE      LYS  15   1.603   7.562  -4.244
  137    HZ1  LYS  15           3HZ      LYS  15   2.310   9.688  -2.316
  138    HZ2  LYS  15           1HZ      LYS  15   1.053   8.592  -2.009
  139    HZ3  LYS  15           2HZ      LYS  15   0.976   9.614  -3.365
  140    H    GLU  16           H        GLU  16   4.857   4.639   1.385
  141    HA   GLU  16           HA       GLU  16   7.591   5.104   2.055
  142    HB2  GLU  16           2HB      GLU  16   7.115   4.114   4.143
  143    HB3  GLU  16           1HB      GLU  16   5.631   4.931   3.681
  144    HG2  GLU  16           2HG      GLU  16   4.838   2.724   2.753
  145    HG3  GLU  16           1HG      GLU  16   6.238   1.976   3.511
  146    H    PHE  17           H        PHE  17   5.733   2.170   1.359
  147    HA   PHE  17           HA       PHE  17   7.729   0.283   1.563
  148    HB2  PHE  17           2HB      PHE  17   5.802  -0.789   1.077
  149    HB3  PHE  17           1HB      PHE  17   5.222   0.522   0.068
  150    HD1  PHE  17           2HD      PHE  17   6.291   0.804  -2.269
  151    HD2  PHE  17           1HD      PHE  17   6.654  -2.746   0.117
  152    HE1  PHE  17           2HE      PHE  17   6.862  -0.497  -4.294
  153    HE2  PHE  17           1HE      PHE  17   7.222  -4.052  -1.906
  154    HZ   PHE  17           HZ       PHE  17   7.332  -2.930  -4.118
  155    H    LYS  18           H        LYS  18   7.273   2.704  -0.956
  156    HA   LYS  18           HA       LYS  18   9.174   1.530  -2.769
  157    HB2  LYS  18           2HB      LYS  18   7.398   3.139  -3.475
  158    HB3  LYS  18           1HB      LYS  18   8.248   4.408  -2.600
  159    HG2  LYS  18           2HG      LYS  18   9.107   4.699  -4.744
  160    HG3  LYS  18           1HG      LYS  18  10.308   3.608  -4.059
  161    HD2  LYS  18           2HD      LYS  18   9.152   1.680  -5.061
  162    HD3  LYS  18           1HD      LYS  18   7.918   2.755  -5.722
  163    HE2  LYS  18           2HE      LYS  18   9.623   3.915  -7.059
  164    HE3  LYS  18           1HE      LYS  18  10.878   2.883  -6.375
  165    HZ1  LYS  18           3HZ      LYS  18   8.729   2.190  -8.260
  166    HZ2  LYS  18           1HZ      LYS  18   9.371   0.992  -7.246
  167    HZ3  LYS  18           2HZ      LYS  18  10.384   1.816  -8.332
  168    H    ARG  19           H        ARG  19   9.319   3.766  -0.069
  169    HA   ARG  19           HA       ARG  19  12.101   4.457  -0.605
  170    HB2  ARG  19           2HB      ARG  19  10.356   5.209   1.748
  171    HB3  ARG  19           1HB      ARG  19  11.904   5.932   1.309
  172    HG2  ARG  19           2HG      ARG  19  10.814   6.471  -0.960
  173    HG3  ARG  19           1HG      ARG  19   9.282   6.091  -0.176
  174    HD2  ARG  19           2HD      ARG  19  10.514   7.776   1.652
  175    HD3  ARG  19           1HD      ARG  19  10.980   8.471   0.104
  176    HE   ARG  19           HE       ARG  19   8.538   8.883   1.279
  177   HH11  ARG  19          1HH2      ARG  19   9.611   7.404  -1.672
  178   HH12  ARG  19          2HH2      ARG  19   8.129   7.707  -2.513
  179   HH21  ARG  19          1HH1      ARG  19   6.611   9.283   0.171
  180   HH22  ARG  19          2HH1      ARG  19   6.436   8.770  -1.474
  181    H    ILE  20           H        ILE  20  10.321   2.199   1.383
  182    HA   ILE  20           HA       ILE  20  12.550   1.768   3.188
  183    HB   ILE  20           HB       ILE  20  11.139   0.477   4.451
  184   HG12  ILE  20          2HG1      ILE  20   9.813  -0.409   1.869
  185   HG13  ILE  20          1HG1      ILE  20  10.875  -1.370   2.897
  186   HG21  ILE  20          1HG2      ILE  20   8.759   1.462   3.016
  187   HG22  ILE  20          2HG2      ILE  20   9.941   2.712   3.386
  188   HG23  ILE  20          3HG2      ILE  20   9.256   1.732   4.679
  189   HD11  ILE  20          3HD1      ILE  20   8.135  -0.300   3.649
  190   HD12  ILE  20          1HD1      ILE  20   9.219  -1.145   4.751
  191   HD13  ILE  20          2HD1      ILE  20   8.559  -1.984   3.348
  192    H    VAL  21           H        VAL  21  10.971  -0.059   0.576
  193    HA   VAL  21           HA       VAL  21  13.060  -2.091   0.661
  194    HB   VAL  21           HB       VAL  21  10.575  -2.535   0.224
  195   HG11  VAL  21          1HG1      VAL  21  11.013  -2.143  -2.673
  196   HG12  VAL  21          2HG1      VAL  21  10.864  -0.644  -1.758
  197   HG13  VAL  21          3HG1      VAL  21   9.574  -1.842  -1.700
  198   HG21  VAL  21          3HG2      VAL  21  12.660  -3.569  -1.723
  199   HG22  VAL  21          1HG2      VAL  21  11.115  -4.347  -1.379
  200   HG23  VAL  21          2HG2      VAL  21  12.337  -4.215  -0.114
  201    H    GLN  22           H        GLN  22  14.312   0.224   0.146
  202    HA   GLN  22           HA       GLN  22  14.504   0.989  -2.566
  203    HB2  GLN  22           2HB      GLN  22  16.798   1.147  -0.620
  204    HB3  GLN  22           1HB      GLN  22  16.383   2.256  -1.928
  205    HG2  GLN  22           2HG      GLN  22  14.194   2.681  -0.647
  206    HG3  GLN  22           1HG      GLN  22  14.974   1.881   0.716
  207   HE21  GLN  22          1HE2      GLN  22  17.435   3.350  -1.002
  208   HE22  GLN  22          2HE2      GLN  22  17.505   4.824  -0.163
  209    H    ARG  23           H        ARG  23  14.410  -1.356  -3.340
  210    HA   ARG  23           HA       ARG  23  17.154  -2.194  -3.966
  211    HB2  ARG  23           2HB      ARG  23  15.118  -4.281  -3.231
  212    HB3  ARG  23           1HB      ARG  23  16.876  -4.416  -3.290
  213    HG2  ARG  23           2HG      ARG  23  16.968  -2.753  -1.383
  214    HG3  ARG  23           1HG      ARG  23  15.218  -2.919  -1.248
  215    HD2  ARG  23           2HD      ARG  23  15.659  -5.459  -1.108
  216    HD3  ARG  23           1HD      ARG  23  17.337  -5.018  -0.796
  217    HE   ARG  23           HE       ARG  23  15.933  -3.511   0.997
  218   HH11  ARG  23          1HH2      ARG  23  16.050  -6.865   0.149
  219   HH12  ARG  23          2HH2      ARG  23  15.653  -7.422   1.741
  220   HH21  ARG  23          1HH1      ARG  23  15.411  -4.234   3.081
  221   HH22  ARG  23          2HH1      ARG  23  15.292  -5.932   3.401
  Start of MODEL   18
    1    H1   LEU   1           1HT      LEU   1 -18.296   1.627   2.109
    2    H2   LEU   1           2HT      LEU   1 -17.631   1.481   0.553
    3    H3   LEU   1           3HT      LEU   1 -16.721   2.181   1.806
    4    HA   LEU   1           HA       LEU   1 -17.420  -0.279   2.781
    5    HB2  LEU   1           2HB      LEU   1 -16.828  -0.318  -0.176
    6    HB3  LEU   1           1HB      LEU   1 -16.400  -1.687   0.850
    7    HG   LEU   1           HG       LEU   1 -18.752  -1.836   1.614
    8   HD11  LEU   1          2HD1      LEU   1 -19.041   0.521  -0.251
    9   HD12  LEU   1          3HD1      LEU   1 -19.563   0.383   1.427
   10   HD13  LEU   1          1HD1      LEU   1 -20.418  -0.500   0.163
   11   HD21  LEU   1          1HD2      LEU   1 -18.121  -3.216  -0.272
   12   HD22  LEU   1          2HD2      LEU   1 -18.292  -1.857  -1.383
   13   HD23  LEU   1          3HD2      LEU   1 -19.718  -2.547  -0.609
   14    H    LEU   2           H        LEU   2 -15.651  -0.935   3.880
   15    HA   LEU   2           HA       LEU   2 -13.442   0.533   4.366
   16    HB2  LEU   2           2HB      LEU   2 -14.035  -1.605   5.491
   17    HB3  LEU   2           1HB      LEU   2 -13.325  -2.460   4.125
   18    HG   LEU   2           HG       LEU   2 -11.278  -0.911   4.527
   19   HD11  LEU   2          1HD1      LEU   2 -12.200   0.576   6.197
   20   HD12  LEU   2          2HD1      LEU   2 -10.998  -0.430   6.999
   21   HD13  LEU   2          3HD1      LEU   2 -12.714  -0.783   7.194
   22   HD21  LEU   2          3HD2      LEU   2 -12.026  -3.190   6.346
   23   HD22  LEU   2          1HD2      LEU   2 -10.400  -2.516   6.231
   24   HD23  LEU   2          2HD2      LEU   2 -11.141  -3.279   4.822
   25    H    GLY   3           H        GLY   3 -13.682  -1.897   1.849
   26    HA2  GLY   3           2HA      GLY   3 -11.249  -2.154   0.791
   27    HA3  GLY   3           1HA      GLY   3 -12.637  -1.902  -0.263
   28    H    ASP   4           H        ASP   4 -13.154   0.820   0.630
   29    HA   ASP   4           HA       ASP   4 -11.381   2.216  -1.127
   30    HB2  ASP   4           2HB      ASP   4 -12.650   4.162  -0.600
   31    HB3  ASP   4           1HB      ASP   4 -13.800   2.827  -0.610
   32    H    PHE   5           H        PHE   5 -11.724   1.957   2.375
   33    HA   PHE   5           HA       PHE   5  -9.869   3.857   3.220
   34    HB2  PHE   5           2HB      PHE   5 -10.947   3.001   5.042
   35    HB3  PHE   5           1HB      PHE   5 -11.086   1.399   4.343
   36    HD1  PHE   5           2HD      PHE   5  -9.175  -0.209   4.474
   37    HD2  PHE   5           1HD      PHE   5  -9.079   3.621   6.415
   38    HE1  PHE   5           2HE      PHE   5  -7.264  -0.956   5.861
   39    HE2  PHE   5           1HE      PHE   5  -7.166   2.872   7.802
   40    HZ   PHE   5           HZ       PHE   5  -6.258   0.581   7.525
   41    H    PHE   6           H        PHE   6  -9.363   0.407   2.527
   42    HA   PHE   6           HA       PHE   6  -6.616   0.323   3.036
   43    HB2  PHE   6           2HB      PHE   6  -8.552  -1.340   1.522
   44    HB3  PHE   6           1HB      PHE   6  -6.854  -1.551   1.099
   45    HD1  PHE   6           1HD      PHE   6  -5.235  -1.547   3.279
   46    HD2  PHE   6           2HD      PHE   6  -9.366  -2.721   3.209
   47    HE1  PHE   6           1HE      PHE   6  -4.884  -2.903   5.326
   48    HE2  PHE   6           2HE      PHE   6  -9.013  -4.080   5.254
   49    HZ   PHE   6           HZ       PHE   6  -6.779  -4.166   6.316
   50    H    ARG   7           H        ARG   7  -8.307   0.925  -0.053
   51    HA   ARG   7           HA       ARG   7  -6.102   1.131  -1.715
   52    HB2  ARG   7           2HB      ARG   7  -8.835   2.315  -1.706
   53    HB3  ARG   7           1HB      ARG   7  -7.652   3.058  -2.783
   54    HG2  ARG   7           2HG      ARG   7  -7.175   0.883  -3.804
   55    HG3  ARG   7           1HG      ARG   7  -8.300   0.096  -2.697
   56    HD2  ARG   7           2HD      ARG   7  -9.882   2.068  -3.759
   57    HD3  ARG   7           1HD      ARG   7  -8.852   1.683  -5.132
   58    HE   ARG   7           HE       ARG   7 -11.033   0.188  -4.413
   59   HH11  ARG   7          1HH2      ARG   7  -7.620  -0.405  -4.620
   60   HH12  ARG   7          2HH2      ARG   7  -7.800  -2.107  -4.866
   61   HH21  ARG   7          1HH1      ARG   7 -11.260  -2.035  -4.747
   62   HH22  ARG   7          2HH1      ARG   7  -9.854  -3.028  -4.942
   63    H    LYS   8           H        LYS   8  -7.442   3.522   0.513
   64    HA   LYS   8           HA       LYS   8  -5.678   5.634  -0.268
   65    HB2  LYS   8           2HB      LYS   8  -7.550   5.143   2.023
   66    HB3  LYS   8           1HB      LYS   8  -6.374   6.453   2.143
   67    HG2  LYS   8           2HG      LYS   8  -7.242   7.551   0.218
   68    HG3  LYS   8           1HG      LYS   8  -8.177   6.135  -0.261
   69    HD2  LYS   8           2HD      LYS   8  -9.781   6.459   1.414
   70    HD3  LYS   8           1HD      LYS   8  -8.695   7.436   2.402
   71    HE2  LYS   8           2HE      LYS   8  -9.624   8.360  -0.319
   72    HE3  LYS   8           1HE      LYS   8 -10.557   8.688   1.142
   73    HZ1  LYS   8           3HZ      LYS   8  -7.705   9.419   0.752
   74    HZ2  LYS   8           1HZ      LYS   8  -8.669   9.806   2.092
   75    HZ3  LYS   8           2HZ      LYS   8  -9.012  10.490   0.575
   76    H    SER   9           H        SER   9  -5.685   3.247   2.369
   77    HA   SER   9           HA       SER   9  -3.222   4.166   3.504
   78    HB2  SER   9           2HB      SER   9  -4.420   1.416   3.835
   79    HB3  SER   9           1HB      SER   9  -3.379   2.289   4.956
   80    HG   SER   9           HG       SER   9  -5.266   2.822   5.771
   81    H    LYS  10           H        LYS  10  -4.083   1.310   1.525
   82    HA   LYS  10           HA       LYS  10  -1.557   0.200   1.270
   83    HB2  LYS  10           2HB      LYS  10  -3.980   0.246  -0.499
   84    HB3  LYS  10           1HB      LYS  10  -2.480  -0.431  -1.130
   85    HG2  LYS  10           2HG      LYS  10  -2.475  -1.744   1.178
   86    HG3  LYS  10           1HG      LYS  10  -4.204  -1.407   1.128
   87    HD2  LYS  10           2HD      LYS  10  -2.635  -2.748  -1.096
   88    HD3  LYS  10           1HD      LYS  10  -3.637  -3.593   0.083
   89    HE2  LYS  10           2HE      LYS  10  -5.607  -2.298  -0.683
   90    HE3  LYS  10           1HE      LYS  10  -4.600  -1.501  -1.889
   91    HZ1  LYS  10           3HZ      LYS  10  -4.219  -4.269  -2.090
   92    HZ2  LYS  10           1HZ      LYS  10  -4.895  -3.214  -3.233
   93    HZ3  LYS  10           2HZ      LYS  10  -5.892  -3.968  -2.081
   94    H    GLU  11           H        GLU  11  -2.958   2.997  -0.313
   95    HA   GLU  11           HA       GLU  11  -0.918   3.327  -2.282
   96    HB2  GLU  11           2HB      GLU  11  -3.058   5.082  -1.113
   97    HB3  GLU  11           1HB      GLU  11  -1.800   5.802  -2.118
   98    HG2  GLU  11           2HG      GLU  11  -2.409   4.522  -4.007
   99    HG3  GLU  11           1HG      GLU  11  -3.323   3.367  -3.041
  100    H    LYS  12           H        LYS  12  -1.446   4.606   0.984
  101    HA   LYS  12           HA       LYS  12   0.805   6.305   1.086
  102    HB2  LYS  12           2HB      LYS  12  -0.748   4.858   3.238
  103    HB3  LYS  12           1HB      LYS  12   0.588   5.950   3.601
  104    HG2  LYS  12           2HG      LYS  12  -0.588   7.738   2.296
  105    HG3  LYS  12           1HG      LYS  12  -1.961   6.646   2.115
  106    HD2  LYS  12           2HD      LYS  12  -2.001   6.458   4.650
  107    HD3  LYS  12           1HD      LYS  12  -0.839   7.783   4.686
  108    HE2  LYS  12           2HE      LYS  12  -2.912   8.880   4.890
  109    HE3  LYS  12           1HE      LYS  12  -2.543   9.032   3.171
  110    HZ1  LYS  12           3HZ      LYS  12  -4.814   7.971   4.227
  111    HZ2  LYS  12           1HZ      LYS  12  -3.914   6.597   3.804
  112    HZ3  LYS  12           2HZ      LYS  12  -4.275   7.769   2.629
  113    H    ILE  13           H        ILE  13   0.376   2.869   1.873
  114    HA   ILE  13           HA       ILE  13   2.995   2.443   2.860
  115    HB   ILE  13           HB       ILE  13   0.789   0.688   1.802
  116   HG12  ILE  13          2HG1      ILE  13   1.120  -0.236   4.208
  117   HG13  ILE  13          1HG1      ILE  13   2.056   1.230   4.490
  118   HG21  ILE  13          1HG2      ILE  13   3.572  -0.132   2.621
  119   HG22  ILE  13          2HG2      ILE  13   2.784  -0.430   1.070
  120   HG23  ILE  13          3HG2      ILE  13   2.216  -1.251   2.522
  121   HD11  ILE  13          3HD1      ILE  13  -0.803   1.148   3.487
  122   HD12  ILE  13          1HD1      ILE  13   0.127   2.603   3.844
  123   HD13  ILE  13          2HD1      ILE  13  -0.320   1.502   5.145
  124    H    GLY  14           H        GLY  14   1.468   2.264  -0.319
  125    HA2  GLY  14           2HA      GLY  14   3.400   0.964  -1.802
  126    HA3  GLY  14           1HA      GLY  14   2.388   2.261  -2.433
  127    H    LYS  15           H        LYS  15   3.198   4.463  -1.140
  128    HA   LYS  15           HA       LYS  15   5.629   5.135  -2.424
  129    HB2  LYS  15           2HB      LYS  15   3.827   6.457  -0.434
  130    HB3  LYS  15           1HB      LYS  15   5.437   7.132  -0.682
  131    HG2  LYS  15           2HG      LYS  15   3.771   8.182  -2.184
  132    HG3  LYS  15           1HG      LYS  15   5.008   7.314  -3.096
  133    HD2  LYS  15           2HD      LYS  15   3.535   5.435  -3.442
  134    HD3  LYS  15           1HD      LYS  15   2.333   6.108  -2.341
  135    HE2  LYS  15           2HE      LYS  15   3.220   7.365  -4.955
  136    HE3  LYS  15           1HE      LYS  15   1.701   6.508  -4.695
  137    HZ1  LYS  15           3HZ      LYS  15   1.437   8.197  -2.771
  138    HZ2  LYS  15           1HZ      LYS  15   1.089   8.681  -4.359
  139    HZ3  LYS  15           2HZ      LYS  15   2.568   9.114  -3.644
  140    H    GLU  16           H        GLU  16   4.914   4.790   1.060
  141    HA   GLU  16           HA       GLU  16   7.577   4.990   1.941
  142    HB2  GLU  16           2HB      GLU  16   5.178   3.596   3.145
  143    HB3  GLU  16           1HB      GLU  16   6.720   3.771   3.980
  144    HG2  GLU  16           2HG      GLU  16   6.548   6.257   3.624
  145    HG3  GLU  16           1HG      GLU  16   4.923   6.001   2.990
  146    H    PHE  17           H        PHE  17   5.602   2.178   1.060
  147    HA   PHE  17           HA       PHE  17   7.420   0.156   1.714
  148    HB2  PHE  17           2HB      PHE  17   5.111  -0.302   1.101
  149    HB3  PHE  17           1HB      PHE  17   5.407   0.261  -0.540
  150    HD1  PHE  17           2HD      PHE  17   6.070  -2.378   1.928
  151    HD2  PHE  17           1HD      PHE  17   6.659  -1.091  -2.124
  152    HE1  PHE  17           2HE      PHE  17   6.813  -4.659   1.320
  153    HE2  PHE  17           1HE      PHE  17   7.400  -3.375  -2.739
  154    HZ   PHE  17           HZ       PHE  17   7.483  -5.162  -1.018
  155    H    LYS  18           H        LYS  18   7.226   2.245  -1.124
  156    HA   LYS  18           HA       LYS  18   9.116   0.752  -2.659
  157    HB2  LYS  18           2HB      LYS  18   7.333   2.675  -3.286
  158    HB3  LYS  18           1HB      LYS  18   8.795   3.655  -3.201
  159    HG2  LYS  18           2HG      LYS  18   8.863   2.955  -5.422
  160    HG3  LYS  18           1HG      LYS  18   9.826   1.696  -4.650
  161    HD2  LYS  18           2HD      LYS  18   7.799   0.268  -4.491
  162    HD3  LYS  18           1HD      LYS  18   6.872   1.519  -5.319
  163    HE2  LYS  18           2HE      LYS  18   8.157   1.276  -7.323
  164    HE3  LYS  18           1HE      LYS  18   9.363   0.281  -6.506
  165    HZ1  LYS  18           3HZ      LYS  18   7.531  -1.342  -6.083
  166    HZ2  LYS  18           1HZ      LYS  18   7.966  -1.171  -7.712
  167    HZ3  LYS  18           2HZ      LYS  18   6.554  -0.428  -7.130
  168    H    ARG  19           H        ARG  19   9.435   3.951  -1.057
  169    HA   ARG  19           HA       ARG  19  12.203   4.164  -1.447
  170    HB2  ARG  19           2HB      ARG  19  12.165   5.970   0.077
  171    HB3  ARG  19           1HB      ARG  19  10.570   5.977  -0.670
  172    HG2  ARG  19           2HG      ARG  19   9.782   4.571   1.304
  173    HG3  ARG  19           1HG      ARG  19  11.323   4.947   2.072
  174    HD2  ARG  19           2HD      ARG  19  10.740   7.418   1.548
  175    HD3  ARG  19           1HD      ARG  19   9.097   6.829   1.308
  176    HE   ARG  19           HE       ARG  19   9.803   5.800   3.739
  177   HH11  ARG  19          1HH2      ARG  19   9.820   8.940   2.286
  178   HH12  ARG  19          2HH2      ARG  19   9.551   9.782   3.774
  179   HH21  ARG  19          1HH1      ARG  19   9.448   6.900   5.697
  180   HH22  ARG  19          2HH1      ARG  19   9.340   8.628   5.705
  181    H    ILE  20           H        ILE  20  10.419   2.935   1.399
  182    HA   ILE  20           HA       ILE  20  12.659   2.304   2.940
  183    HB   ILE  20           HB       ILE  20  10.073   2.309   3.464
  184   HG12  ILE  20          2HG1      ILE  20  12.040   0.379   4.718
  185   HG13  ILE  20          1HG1      ILE  20  11.855   2.090   5.107
  186   HG21  ILE  20          1HG2      ILE  20   9.049   0.153   3.518
  187   HG22  ILE  20          2HG2      ILE  20  10.556  -0.647   3.076
  188   HG23  ILE  20          3HG2      ILE  20   9.707   0.350   1.896
  189   HD11  ILE  20          3HD1      ILE  20   9.868  -0.139   5.575
  190   HD12  ILE  20          1HD1      ILE  20   9.415   1.564   5.652
  191   HD13  ILE  20          2HD1      ILE  20  10.610   0.917   6.776
  192    H    VAL  21           H        VAL  21  10.914   0.399   0.498
  193    HA   VAL  21           HA       VAL  21  12.948  -1.729   0.715
  194    HB   VAL  21           HB       VAL  21  10.375  -1.716  -0.888
  195   HG11  VAL  21          1HG1      VAL  21  11.844  -3.288  -1.864
  196   HG12  VAL  21          2HG1      VAL  21  10.855  -4.246  -0.763
  197   HG13  VAL  21          3HG1      VAL  21  12.492  -3.782  -0.300
  198   HG21  VAL  21          3HG2      VAL  21  11.029  -2.565   1.921
  199   HG22  VAL  21          1HG2      VAL  21   9.844  -3.493   1.003
  200   HG23  VAL  21          2HG2      VAL  21   9.574  -1.780   1.305
  201    H    GLN  22           H        GLN  22  14.429  -0.024  -0.228
  202    HA   GLN  22           HA       GLN  22  14.361   1.185  -2.638
  203    HB2  GLN  22           2HB      GLN  22  16.876   0.339  -2.815
  204    HB3  GLN  22           1HB      GLN  22  16.384   1.499  -1.580
  205    HG2  GLN  22           2HG      GLN  22  16.285  -0.160   0.105
  206    HG3  GLN  22           1HG      GLN  22  16.294  -1.473  -1.071
  207   HE21  GLN  22          1HE2      GLN  22  18.212  -1.629   0.911
  208   HE22  GLN  22          2HE2      GLN  22  19.743  -1.242   0.289
  209    H    ARG  23           H        ARG  23  12.928  -0.012  -3.996
  210    HA   ARG  23           HA       ARG  23  12.319  -1.770  -5.427
  211    HB2  ARG  23           2HB      ARG  23  14.941  -0.672  -6.455
  212    HB3  ARG  23           1HB      ARG  23  13.870  -1.705  -7.404
  213    HG2  ARG  23           2HG      ARG  23  12.055  -0.088  -7.194
  214    HG3  ARG  23           1HG      ARG  23  13.042   0.924  -6.139
  215    HD2  ARG  23           2HD      ARG  23  13.270   1.945  -8.248
  216    HD3  ARG  23           1HD      ARG  23  14.731   0.970  -8.103
  217    HE   ARG  23           HE       ARG  23  12.969  -0.702  -9.351
  218   HH11  ARG  23          1HH2      ARG  23  14.098   2.528  -9.875
  219   HH12  ARG  23          2HH2      ARG  23  13.938   2.453 -11.598
  220   HH21  ARG  23          1HH1      ARG  23  12.758  -0.808 -11.612
  221   HH22  ARG  23          2HH1      ARG  23  13.181   0.564 -12.582
  Start of MODEL   19
    1    H1   LEU   1           1HT      LEU   1 -16.707   1.403   3.751
    2    H2   LEU   1           2HT      LEU   1 -18.103   0.437   3.804
    3    H3   LEU   1           3HT      LEU   1 -17.601   1.130   2.337
    4    HA   LEU   1           HA       LEU   1 -16.764  -1.307   3.589
    5    HB2  LEU   1           2HB      LEU   1 -16.181  -0.183   0.837
    6    HB3  LEU   1           1HB      LEU   1 -16.199  -1.879   1.318
    7    HG   LEU   1           HG       LEU   1 -18.609  -0.038   1.382
    8   HD11  LEU   1          2HD1      LEU   1 -17.896  -0.537  -0.919
    9   HD12  LEU   1          3HD1      LEU   1 -19.390  -1.393  -0.538
   10   HD13  LEU   1          1HD1      LEU   1 -17.854  -2.259  -0.542
   11   HD21  LEU   1          1HD2      LEU   1 -19.737  -2.375   1.574
   12   HD22  LEU   1          2HD2      LEU   1 -18.972  -1.707   3.014
   13   HD23  LEU   1          3HD2      LEU   1 -18.141  -2.941   2.067
   14    H    LEU   2           H        LEU   2 -14.792  -1.833   4.314
   15    HA   LEU   2           HA       LEU   2 -12.792   0.095   4.778
   16    HB2  LEU   2           2HB      LEU   2 -13.085  -2.030   6.052
   17    HB3  LEU   2           1HB      LEU   2 -12.393  -2.884   4.675
   18    HG   LEU   2           HG       LEU   2 -10.518  -1.055   4.861
   19   HD11  LEU   2          1HD1      LEU   2 -10.117  -0.197   7.048
   20   HD12  LEU   2          2HD1      LEU   2 -11.325  -1.260   7.769
   21   HD13  LEU   2          3HD1      LEU   2 -11.831   0.092   6.759
   22   HD21  LEU   2          3HD2      LEU   2 -10.745  -3.358   6.792
   23   HD22  LEU   2          1HD2      LEU   2  -9.248  -2.543   6.340
   24   HD23  LEU   2          2HD2      LEU   2 -10.162  -3.445   5.130
   25    H    GLY   3           H        GLY   3 -12.961  -2.515   2.433
   26    HA2  GLY   3           2HA      GLY   3 -10.607  -2.558   1.180
   27    HA3  GLY   3           1HA      GLY   3 -12.098  -2.545   0.240
   28    H    ASP   4           H        ASP   4 -12.876   0.145   1.012
   29    HA   ASP   4           HA       ASP   4 -11.447   1.631  -0.969
   30    HB2  ASP   4           2HB      ASP   4 -13.863   1.991  -0.264
   31    HB3  ASP   4           1HB      ASP   4 -13.235   2.763   1.191
   32    H    PHE   5           H        PHE   5 -11.466   1.563   2.567
   33    HA   PHE   5           HA       PHE   5  -9.774   3.704   3.131
   34    HB2  PHE   5           2HB      PHE   5 -10.554   2.855   5.099
   35    HB3  PHE   5           1HB      PHE   5 -10.606   1.213   4.495
   36    HD1  PHE   5           2HD      PHE   5  -8.516  -0.187   4.467
   37    HD2  PHE   5           1HD      PHE   5  -8.654   3.708   6.272
   38    HE1  PHE   5           2HE      PHE   5  -6.411  -0.669   5.681
   39    HE2  PHE   5           1HE      PHE   5  -6.547   3.223   7.485
   40    HZ   PHE   5           HZ       PHE   5  -5.426   1.032   7.189
   41    H    PHE   6           H        PHE   6  -8.961   0.304   2.530
   42    HA   PHE   6           HA       PHE   6  -6.190   0.507   2.786
   43    HB2  PHE   6           2HB      PHE   6  -8.071  -1.380   1.474
   44    HB3  PHE   6           1HB      PHE   6  -6.398  -1.438   0.920
   45    HD1  PHE   6           1HD      PHE   6  -4.637  -1.183   3.003
   46    HD2  PHE   6           2HD      PHE   6  -8.600  -2.832   3.211
   47    HE1  PHE   6           1HE      PHE   6  -3.999  -2.462   5.030
   48    HE2  PHE   6           2HE      PHE   6  -7.958  -4.112   5.238
   49    HZ   PHE   6           HZ       PHE   6  -5.662  -3.924   6.149
   50    H    ARG   7           H        ARG   7  -8.232   0.958  -0.102
   51    HA   ARG   7           HA       ARG   7  -6.237   1.254  -1.997
   52    HB2  ARG   7           2HB      ARG   7  -7.974   1.778  -3.339
   53    HB3  ARG   7           1HB      ARG   7  -8.997   1.631  -1.915
   54    HG2  ARG   7           2HG      ARG   7  -8.714   4.030  -1.443
   55    HG3  ARG   7           1HG      ARG   7  -7.650   4.192  -2.840
   56    HD2  ARG   7           2HD      ARG   7 -10.374   4.592  -2.891
   57    HD3  ARG   7           1HD      ARG   7  -9.384   4.230  -4.302
   58    HE   ARG   7           HE       ARG   7  -9.999   1.763  -3.322
   59   HH11  ARG   7          1HH2      ARG   7 -11.804   4.598  -4.145
   60   HH12  ARG   7          2HH2      ARG   7 -13.224   3.725  -4.618
   61   HH21  ARG   7          1HH1      ARG   7 -11.856   0.611  -3.940
   62   HH22  ARG   7          2HH1      ARG   7 -13.253   1.467  -4.503
   63    H    LYS   8           H        LYS   8  -7.569   3.730   0.184
   64    HA   LYS   8           HA       LYS   8  -5.822   5.796  -0.766
   65    HB2  LYS   8           2HB      LYS   8  -8.004   6.241   0.348
   66    HB3  LYS   8           1HB      LYS   8  -7.328   5.631   1.857
   67    HG2  LYS   8           2HG      LYS   8  -5.665   7.689   0.532
   68    HG3  LYS   8           1HG      LYS   8  -7.241   8.267   1.067
   69    HD2  LYS   8           2HD      LYS   8  -6.818   7.525   3.331
   70    HD3  LYS   8           1HD      LYS   8  -5.324   6.727   2.840
   71    HE2  LYS   8           2HE      LYS   8  -4.276   8.830   2.326
   72    HE3  LYS   8           1HE      LYS   8  -5.799   9.700   2.511
   73    HZ1  LYS   8           3HZ      LYS   8  -3.905   9.012   4.487
   74    HZ2  LYS   8           1HZ      LYS   8  -5.391   8.284   4.860
   75    HZ3  LYS   8           2HZ      LYS   8  -5.304   9.967   4.636
   76    H    SER   9           H        SER   9  -5.774   3.490   1.909
   77    HA   SER   9           HA       SER   9  -3.414   4.560   3.131
   78    HB2  SER   9           2HB      SER   9  -4.327   1.720   3.474
   79    HB3  SER   9           1HB      SER   9  -3.583   2.795   4.652
   80    HG   SER   9           HG       SER   9  -5.647   2.954   5.197
   81    H    LYS  10           H        LYS  10  -4.045   1.684   1.103
   82    HA   LYS  10           HA       LYS  10  -1.460   0.690   0.965
   83    HB2  LYS  10           2HB      LYS  10  -3.800   0.624  -0.912
   84    HB3  LYS  10           1HB      LYS  10  -2.241   0.027  -1.477
   85    HG2  LYS  10           2HG      LYS  10  -2.199  -1.363   0.705
   86    HG3  LYS  10           1HG      LYS  10  -3.917  -0.984   0.821
   87    HD2  LYS  10           2HD      LYS  10  -2.552  -2.355  -1.515
   88    HD3  LYS  10           1HD      LYS  10  -3.594  -3.132  -0.324
   89    HE2  LYS  10           2HE      LYS  10  -5.171  -2.732  -1.958
   90    HE3  LYS  10           1HE      LYS  10  -5.274  -1.189  -1.111
   91    HZ1  LYS  10           3HZ      LYS  10  -4.662  -1.556  -3.751
   92    HZ2  LYS  10           1HZ      LYS  10  -3.165  -1.213  -3.030
   93    HZ3  LYS  10           2HZ      LYS  10  -4.457  -0.124  -2.860
   94    H    GLU  11           H        GLU  11  -2.950   3.337  -0.850
   95    HA   GLU  11           HA       GLU  11  -0.830   3.777  -2.667
   96    HB2  GLU  11           2HB      GLU  11  -3.000   5.535  -1.539
   97    HB3  GLU  11           1HB      GLU  11  -1.769   6.194  -2.616
   98    HG2  GLU  11           2HG      GLU  11  -2.396   4.720  -4.390
   99    HG3  GLU  11           1HG      GLU  11  -3.395   3.742  -3.316
  100    H    LYS  12           H        LYS  12  -1.578   5.361   0.448
  101    HA   LYS  12           HA       LYS  12   0.708   6.968   0.606
  102    HB2  LYS  12           2HB      LYS  12  -1.050   5.709   2.711
  103    HB3  LYS  12           1HB      LYS  12   0.328   6.721   3.144
  104    HG2  LYS  12           2HG      LYS  12  -1.625   7.752   1.110
  105    HG3  LYS  12           1HG      LYS  12  -2.080   7.791   2.813
  106    HD2  LYS  12           2HD      LYS  12   0.026   9.016   3.323
  107    HD3  LYS  12           1HD      LYS  12   0.408   9.034   1.601
  108    HE2  LYS  12           2HE      LYS  12  -2.059  10.260   2.870
  109    HE3  LYS  12           1HE      LYS  12  -0.653  11.152   2.288
  110    HZ1  LYS  12           3HZ      LYS  12  -1.064  10.286   0.071
  111    HZ2  LYS  12           1HZ      LYS  12  -2.420  11.128   0.645
  112    HZ3  LYS  12           2HZ      LYS  12  -2.419   9.429   0.634
  113    H    ILE  13           H        ILE  13   0.152   3.671   1.843
  114    HA   ILE  13           HA       ILE  13   2.706   3.267   2.920
  115    HB   ILE  13           HB       ILE  13   0.448   1.529   1.993
  116   HG12  ILE  13          2HG1      ILE  13   0.855   0.713   4.443
  117   HG13  ILE  13          1HG1      ILE  13   1.833   2.171   4.593
  118   HG21  ILE  13          1HG2      ILE  13   3.220   0.593   2.720
  119   HG22  ILE  13          2HG2      ILE  13   2.322   0.247   1.240
  120   HG23  ILE  13          3HG2      ILE  13   1.801  -0.451   2.772
  121   HD11  ILE  13          3HD1      ILE  13  -0.435   2.666   5.317
  122   HD12  ILE  13          1HD1      ILE  13  -1.090   2.033   3.808
  123   HD13  ILE  13          2HD1      ILE  13  -0.125   3.509   3.800
  124    H    GLY  14           H        GLY  14   1.407   2.977  -0.333
  125    HA2  GLY  14           2HA      GLY  14   3.324   1.412  -1.573
  126    HA3  GLY  14           1HA      GLY  14   2.496   2.759  -2.359
  127    H    LYS  15           H        LYS  15   3.300   4.937  -1.216
  128    HA   LYS  15           HA       LYS  15   5.836   5.486  -2.203
  129    HB2  LYS  15           2HB      LYS  15   4.684   6.928   0.168
  130    HB3  LYS  15           1HB      LYS  15   5.571   7.592  -1.205
  131    HG2  LYS  15           2HG      LYS  15   2.762   6.454  -1.256
  132    HG3  LYS  15           1HG      LYS  15   3.207   8.147  -1.421
  133    HD2  LYS  15           2HD      LYS  15   3.083   7.665  -3.648
  134    HD3  LYS  15           1HD      LYS  15   4.735   7.126  -3.395
  135    HE2  LYS  15           2HE      LYS  15   4.169   4.900  -3.610
  136    HE3  LYS  15           1HE      LYS  15   2.566   5.127  -2.914
  137    HZ1  LYS  15           3HZ      LYS  15   2.261   4.705  -5.192
  138    HZ2  LYS  15           1HZ      LYS  15   3.469   5.805  -5.649
  139    HZ3  LYS  15           2HZ      LYS  15   2.007   6.373  -4.995
  140    H    GLU  16           H        GLU  16   4.890   4.972   1.189
  141    HA   GLU  16           HA       GLU  16   7.525   5.053   2.222
  142    HB2  GLU  16           2HB      GLU  16   4.933   3.912   3.247
  143    HB3  GLU  16           1HB      GLU  16   6.435   3.741   4.156
  144    HG2  GLU  16           2HG      GLU  16   5.090   5.757   4.814
  145    HG3  GLU  16           1HG      GLU  16   6.717   6.144   4.258
  146    H    PHE  17           H        PHE  17   5.440   2.239   1.461
  147    HA   PHE  17           HA       PHE  17   7.478   0.363   2.055
  148    HB2  PHE  17           2HB      PHE  17   5.660  -0.920   2.049
  149    HB3  PHE  17           1HB      PHE  17   4.752   0.313   1.203
  150    HD1  PHE  17           1HD      PHE  17   5.399   0.530  -1.405
  151    HD2  PHE  17           2HD      PHE  17   5.897  -2.977   1.014
  152    HE1  PHE  17           1HE      PHE  17   5.355  -0.872  -3.439
  153    HE2  PHE  17           2HE      PHE  17   5.861  -4.385  -1.020
  154    HZ   PHE  17           HZ       PHE  17   5.592  -3.336  -3.253
  155    H    LYS  18           H        LYS  18   6.933   2.355  -0.711
  156    HA   LYS  18           HA       LYS  18   8.329   0.667  -2.581
  157    HB2  LYS  18           2HB      LYS  18   6.726   2.442  -3.290
  158    HB3  LYS  18           1HB      LYS  18   7.855   3.660  -2.702
  159    HG2  LYS  18           2HG      LYS  18   8.459   3.572  -4.943
  160    HG3  LYS  18           1HG      LYS  18   9.556   2.364  -4.285
  161    HD2  LYS  18           2HD      LYS  18   7.722   0.643  -4.794
  162    HD3  LYS  18           1HD      LYS  18   6.951   1.912  -5.746
  163    HE2  LYS  18           2HE      LYS  18   9.207   2.172  -6.938
  164    HE3  LYS  18           1HE      LYS  18   9.662   0.648  -6.178
  165    HZ1  LYS  18           3HZ      LYS  18   7.899   1.133  -8.385
  166    HZ2  LYS  18           1HZ      LYS  18   7.197   0.146  -7.198
  167    HZ3  LYS  18           2HZ      LYS  18   8.673  -0.304  -7.910
  168    H    ARG  19           H        ARG  19   9.234   3.033  -0.174
  169    HA   ARG  19           HA       ARG  19  11.974   3.146  -1.205
  170    HB2  ARG  19           2HB      ARG  19  12.260   5.091  -0.018
  171    HB3  ARG  19           1HB      ARG  19  10.517   5.146  -0.261
  172    HG2  ARG  19           2HG      ARG  19  10.322   3.933   1.979
  173    HG3  ARG  19           1HG      ARG  19  12.024   4.315   2.222
  174    HD2  ARG  19           2HD      ARG  19  11.002   6.742   1.425
  175    HD3  ARG  19           1HD      ARG  19   9.657   6.079   2.345
  176    HE   ARG  19           HE       ARG  19  11.829   7.282   3.499
  177   HH11  ARG  19          1HH2      ARG  19  10.480   4.087   3.582
  178   HH12  ARG  19          2HH2      ARG  19  11.129   3.714   5.141
  179   HH21  ARG  19          1HH1      ARG  19  12.666   6.791   5.538
  180   HH22  ARG  19          2HH1      ARG  19  12.361   5.241   6.248
  181    H    ILE  20           H        ILE  20  10.177   1.409   1.176
  182    HA   ILE  20           HA       ILE  20  12.579   0.843   2.765
  183    HB   ILE  20           HB       ILE  20  11.220  -0.031   4.399
  184   HG12  ILE  20          2HG1      ILE  20   9.324  -0.880   2.191
  185   HG13  ILE  20          1HG1      ILE  20  10.326  -1.922   3.200
  186   HG21  ILE  20          1HG2      ILE  20   8.857   1.306   3.228
  187   HG22  ILE  20          2HG2      ILE  20  10.303   2.298   3.345
  188   HG23  ILE  20          3HG2      ILE  20   9.628   1.552   4.786
  189   HD11  ILE  20          3HD1      ILE  20   9.057  -1.075   5.204
  190   HD12  ILE  20          1HD1      ILE  20   8.073  -2.002   4.074
  191   HD13  ILE  20          2HD1      ILE  20   7.966  -0.243   4.100
  192    H    VAL  21           H        VAL  21  10.278  -0.814   0.667
  193    HA   VAL  21           HA       VAL  21  11.748  -3.305   0.728
  194    HB   VAL  21           HB       VAL  21   9.199  -2.956   0.405
  195   HG11  VAL  21          1HG1      VAL  21   8.391  -2.322  -1.664
  196   HG12  VAL  21          2HG1      VAL  21   9.807  -2.921  -2.524
  197   HG13  VAL  21          3HG1      VAL  21   9.885  -1.386  -1.661
  198   HG21  VAL  21          3HG2      VAL  21   9.205  -4.934  -1.291
  199   HG22  VAL  21          1HG2      VAL  21   9.995  -5.170   0.267
  200   HG23  VAL  21          2HG2      VAL  21  10.960  -4.835  -1.168
  201    H    GLN  22           H        GLN  22  13.107  -0.857  -0.226
  202    HA   GLN  22           HA       GLN  22  13.409  -0.654  -2.958
  203    HB2  GLN  22           2HB      GLN  22  15.459  -0.408  -0.754
  204    HB3  GLN  22           1HB      GLN  22  15.800   0.005  -2.435
  205    HG2  GLN  22           2HG      GLN  22  13.314   1.151  -1.246
  206    HG3  GLN  22           1HG      GLN  22  14.846   1.810  -0.675
  207   HE21  GLN  22          1HE2      GLN  22  12.515   2.200  -3.065
  208   HE22  GLN  22          2HE2      GLN  22  13.460   3.012  -4.218
  209    H    ARG  23           H        ARG  23  13.140  -2.709  -3.901
  210    HA   ARG  23           HA       ARG  23  14.457  -5.059  -3.413
  211    HB2  ARG  23           2HB      ARG  23  13.811  -3.838  -6.107
  212    HB3  ARG  23           1HB      ARG  23  14.240  -5.530  -5.850
  213    HG2  ARG  23           2HG      ARG  23  11.911  -4.139  -4.496
  214    HG3  ARG  23           1HG      ARG  23  11.762  -5.128  -5.947
  215    HD2  ARG  23           2HD      ARG  23  13.179  -6.797  -4.279
  216    HD3  ARG  23           1HD      ARG  23  12.139  -5.957  -3.136
  217    HE   ARG  23           HE       ARG  23  11.305  -8.063  -4.678
  218   HH11  ARG  23          1HH2      ARG  23  10.413  -4.721  -4.413
  219   HH12  ARG  23          2HH2      ARG  23   8.801  -4.973  -4.985
  220   HH21  ARG  23          1HH1      ARG  23   9.194  -8.385  -5.416
  221   HH22  ARG  23          2HH1      ARG  23   8.110  -7.042  -5.548
  Start of MODEL   20
    1    H1   LEU   1           1HT      LEU   1 -18.401  -1.741   3.994
    2    H2   LEU   1           2HT      LEU   1 -17.795  -0.463   4.937
    3    H3   LEU   1           3HT      LEU   1 -16.948  -1.932   4.847
    4    HA   LEU   1           HA       LEU   1 -16.683  -1.539   2.409
    5    HB2  LEU   1           2HB      LEU   1 -17.627   1.217   3.258
    6    HB3  LEU   1           1HB      LEU   1 -16.988   0.799   1.668
    7    HG   LEU   1           HG       LEU   1 -19.317  -0.744   2.790
    8   HD11  LEU   1          2HD1      LEU   1 -19.951   1.623   3.004
    9   HD12  LEU   1          3HD1      LEU   1 -20.847   0.861   1.690
   10   HD13  LEU   1          1HD1      LEU   1 -19.476   1.911   1.330
   11   HD21  LEU   1          1HD2      LEU   1 -18.398   0.022  -0.001
   12   HD22  LEU   1          2HD2      LEU   1 -19.844  -0.920   0.354
   13   HD23  LEU   1          3HD2      LEU   1 -18.253  -1.569   0.746
   14    H    LEU   2           H        LEU   2 -14.728  -2.191   3.501
   15    HA   LEU   2           HA       LEU   2 -13.088  -0.019   4.628
   16    HB2  LEU   2           2HB      LEU   2 -13.337  -2.164   5.878
   17    HB3  LEU   2           1HB      LEU   2 -12.489  -2.965   4.558
   18    HG   LEU   2           HG       LEU   2 -10.722  -1.090   4.863
   19   HD11  LEU   2          1HD1      LEU   2 -12.217  -1.001   7.499
   20   HD12  LEU   2          2HD1      LEU   2 -11.847   0.351   6.430
   21   HD13  LEU   2          3HD1      LEU   2 -10.554  -0.442   7.325
   22   HD21  LEU   2          3HD2      LEU   2  -9.629  -2.420   6.687
   23   HD22  LEU   2          1HD2      LEU   2 -10.196  -3.370   5.314
   24   HD23  LEU   2          2HD2      LEU   2 -11.126  -3.346   6.813
   25    H    GLY   3           H        GLY   3 -12.955  -2.607   2.267
   26    HA2  GLY   3           2HA      GLY   3 -10.522  -2.548   1.183
   27    HA3  GLY   3           1HA      GLY   3 -11.942  -2.585   0.141
   28    H    ASP   4           H        ASP   4 -12.868   0.081   0.849
   29    HA   ASP   4           HA       ASP   4 -11.338   1.611  -1.021
   30    HB2  ASP   4           2HB      ASP   4 -12.853   3.419  -0.511
   31    HB3  ASP   4           1HB      ASP   4 -13.791   1.927  -0.579
   32    H    PHE   5           H        PHE   5 -11.618   1.527   2.497
   33    HA   PHE   5           HA       PHE   5 -10.050   3.730   3.184
   34    HB2  PHE   5           2HB      PHE   5 -10.999   2.847   5.069
   35    HB3  PHE   5           1HB      PHE   5 -10.887   1.199   4.486
   36    HD1  PHE   5           1HD      PHE   5  -8.728  -0.066   4.682
   37    HD2  PHE   5           2HD      PHE   5  -9.276   3.830   6.403
   38    HE1  PHE   5           1HE      PHE   5  -6.727  -0.406   6.102
   39    HE2  PHE   5           2HE      PHE   5  -7.270   3.491   7.820
   40    HZ   PHE   5           HZ       PHE   5  -5.995   1.369   7.668
   41    H    PHE   6           H        PHE   6  -9.091   0.357   2.639
   42    HA   PHE   6           HA       PHE   6  -6.333   0.714   3.086
   43    HB2  PHE   6           2HB      PHE   6  -8.047  -1.358   1.828
   44    HB3  PHE   6           1HB      PHE   6  -6.349  -1.363   1.354
   45    HD1  PHE   6           1HD      PHE   6  -4.690  -0.902   3.461
   46    HD2  PHE   6           2HD      PHE   6  -8.598  -2.676   3.664
   47    HE1  PHE   6           1HE      PHE   6  -4.088  -1.986   5.611
   48    HE2  PHE   6           2HE      PHE   6  -7.991  -3.762   5.811
   49    HZ   PHE   6           HZ       PHE   6  -5.745  -3.410   6.787
   50    H    ARG   7           H        ARG   7  -8.286   1.009   0.134
   51    HA   ARG   7           HA       ARG   7  -6.270   1.194  -1.748
   52    HB2  ARG   7           2HB      ARG   7  -8.212   1.351  -2.902
   53    HB3  ARG   7           1HB      ARG   7  -9.065   2.046  -1.529
   54    HG2  ARG   7           2HG      ARG   7  -8.265   4.253  -2.047
   55    HG3  ARG   7           1HG      ARG   7  -7.150   3.624  -3.263
   56    HD2  ARG   7           2HD      ARG   7  -9.248   4.605  -4.235
   57    HD3  ARG   7           1HD      ARG   7  -8.982   2.920  -4.672
   58    HE   ARG   7           HE       ARG   7 -10.539   2.768  -2.430
   59   HH11  ARG   7          1HH2      ARG   7 -10.724   4.426  -5.463
   60   HH12  ARG   7          2HH2      ARG   7 -12.454   4.408  -5.524
   61   HH21  ARG   7          1HH1      ARG   7 -12.810   2.741  -2.505
   62   HH22  ARG   7          2HH1      ARG   7 -13.635   3.455  -3.850
   63    H    LYS   8           H        LYS   8  -7.604   3.771   0.317
   64    HA   LYS   8           HA       LYS   8  -5.858   5.801  -0.680
   65    HB2  LYS   8           2HB      LYS   8  -7.546   5.550   1.809
   66    HB3  LYS   8           1HB      LYS   8  -6.522   6.955   1.513
   67    HG2  LYS   8           2HG      LYS   8  -7.695   7.493  -0.509
   68    HG3  LYS   8           1HG      LYS   8  -8.563   5.958  -0.486
   69    HD2  LYS   8           2HD      LYS   8  -9.957   7.872   0.315
   70    HD3  LYS   8           1HD      LYS   8  -9.760   6.610   1.531
   71    HE2  LYS   8           2HE      LYS   8  -7.833   8.920   1.446
   72    HE3  LYS   8           1HE      LYS   8  -9.402   9.110   2.227
   73    HZ1  LYS   8           3HZ      LYS   8  -8.600   8.071   3.988
   74    HZ2  LYS   8           1HZ      LYS   8  -7.104   7.845   3.221
   75    HZ3  LYS   8           2HZ      LYS   8  -8.327   6.676   3.058
   76    H    SER   9           H        SER   9  -5.772   3.632   2.125
   77    HA   SER   9           HA       SER   9  -3.356   4.691   3.210
   78    HB2  SER   9           2HB      SER   9  -5.132   3.294   4.414
   79    HB3  SER   9           1HB      SER   9  -4.391   1.894   3.648
   80    HG   SER   9           HG       SER   9  -2.421   3.312   4.618
   81    H    LYS  10           H        LYS  10  -4.057   1.736   1.316
   82    HA   LYS  10           HA       LYS  10  -1.489   0.714   1.160
   83    HB2  LYS  10           2HB      LYS  10  -3.881   0.596  -0.633
   84    HB3  LYS  10           1HB      LYS  10  -2.343   0.020  -1.271
   85    HG2  LYS  10           2HG      LYS  10  -2.159  -1.363   0.900
   86    HG3  LYS  10           1HG      LYS  10  -3.868  -0.997   1.134
   87    HD2  LYS  10           2HD      LYS  10  -2.896  -2.135  -1.486
   88    HD3  LYS  10           1HD      LYS  10  -3.221  -3.194  -0.116
   89    HE2  LYS  10           2HE      LYS  10  -5.490  -2.855  -0.217
   90    HE3  LYS  10           1HE      LYS  10  -5.326  -1.185  -0.755
   91    HZ1  LYS  10           3HZ      LYS  10  -5.598  -3.578  -2.300
   92    HZ2  LYS  10           1HZ      LYS  10  -4.275  -2.641  -2.799
   93    HZ3  LYS  10           2HZ      LYS  10  -5.831  -1.959  -2.760
   94    H    GLU  11           H        GLU  11  -2.964   3.349  -0.668
   95    HA   GLU  11           HA       GLU  11  -0.900   3.694  -2.571
   96    HB2  GLU  11           2HB      GLU  11  -2.979   5.539  -1.402
   97    HB3  GLU  11           1HB      GLU  11  -1.777   6.129  -2.550
   98    HG2  GLU  11           2HG      GLU  11  -2.550   4.708  -4.273
   99    HG3  GLU  11           1HG      GLU  11  -3.427   3.676  -3.147
  100    H    LYS  12           H        LYS  12  -1.511   5.354   0.534
  101    HA   LYS  12           HA       LYS  12   0.786   6.928   0.608
  102    HB2  LYS  12           2HB      LYS  12  -1.236   6.856   2.220
  103    HB3  LYS  12           1HB      LYS  12  -0.339   5.595   3.064
  104    HG2  LYS  12           2HG      LYS  12   1.574   7.115   3.340
  105    HG3  LYS  12           1HG      LYS  12   0.710   8.375   2.458
  106    HD2  LYS  12           2HD      LYS  12   0.073   9.024   4.561
  107    HD3  LYS  12           1HD      LYS  12  -1.152   7.776   4.343
  108    HE2  LYS  12           2HE      LYS  12   1.531   7.434   5.716
  109    HE3  LYS  12           1HE      LYS  12  -0.048   7.458   6.499
  110    HZ1  LYS  12           3HZ      LYS  12  -0.541   5.544   4.839
  111    HZ2  LYS  12           1HZ      LYS  12   0.320   5.224   6.265
  112    HZ3  LYS  12           2HZ      LYS  12   1.151   5.388   4.793
  113    H    ILE  13           H        ILE  13   0.282   3.593   1.755
  114    HA   ILE  13           HA       ILE  13   2.889   3.180   2.737
  115    HB   ILE  13           HB       ILE  13   0.603   1.435   1.867
  116   HG12  ILE  13          2HG1      ILE  13   1.058   0.625   4.307
  117   HG13  ILE  13          1HG1      ILE  13   2.027   2.090   4.443
  118   HG21  ILE  13          1HG2      ILE  13   2.457   0.156   1.091
  119   HG22  ILE  13          2HG2      ILE  13   2.007  -0.520   2.656
  120   HG23  ILE  13          3HG2      ILE  13   3.404   0.546   2.529
  121   HD11  ILE  13          3HD1      ILE  13  -0.901   1.948   3.674
  122   HD12  ILE  13          1HD1      ILE  13   0.059   3.427   3.730
  123   HD13  ILE  13          2HD1      ILE  13  -0.255   2.524   5.210
  124    H    GLY  14           H        GLY  14   1.383   2.860  -0.432
  125    HA2  GLY  14           2HA      GLY  14   3.255   1.374  -1.817
  126    HA3  GLY  14           1HA      GLY  14   2.327   2.690  -2.532
  127    H    LYS  15           H        LYS  15   3.289   4.852  -1.098
  128    HA   LYS  15           HA       LYS  15   5.742   5.378  -2.453
  129    HB2  LYS  15           2HB      LYS  15   4.081   6.840  -0.420
  130    HB3  LYS  15           1HB      LYS  15   5.696   7.426  -0.814
  131    HG2  LYS  15           2HG      LYS  15   4.034   8.524  -2.246
  132    HG3  LYS  15           1HG      LYS  15   5.073   7.480  -3.218
  133    HD2  LYS  15           2HD      LYS  15   3.402   5.790  -3.377
  134    HD3  LYS  15           1HD      LYS  15   2.433   6.526  -2.099
  135    HE2  LYS  15           2HE      LYS  15   1.953   8.453  -3.516
  136    HE3  LYS  15           1HE      LYS  15   3.010   7.822  -4.779
  137    HZ1  LYS  15           3HZ      LYS  15   0.302   7.163  -4.199
  138    HZ2  LYS  15           1HZ      LYS  15   1.277   5.776  -4.197
  139    HZ3  LYS  15           2HZ      LYS  15   1.235   6.780  -5.567
  140    H    GLU  16           H        GLU  16   5.002   5.116   1.037
  141    HA   GLU  16           HA       GLU  16   7.685   5.139   1.903
  142    HB2  GLU  16           2HB      GLU  16   5.191   3.952   3.137
  143    HB3  GLU  16           1HB      GLU  16   6.750   4.001   3.961
  144    HG2  GLU  16           2HG      GLU  16   6.803   6.458   3.711
  145    HG3  GLU  16           1HG      GLU  16   5.236   6.407   2.903
  146    H    PHE  17           H        PHE  17   5.485   2.509   1.054
  147    HA   PHE  17           HA       PHE  17   7.024   0.294   1.699
  148    HB2  PHE  17           2HB      PHE  17   4.727   0.129   0.919
  149    HB3  PHE  17           1HB      PHE  17   5.193   0.726  -0.667
  150    HD1  PHE  17           2HD      PHE  17   6.250  -1.909   1.769
  151    HD2  PHE  17           1HD      PHE  17   5.505  -0.872  -2.329
  152    HE1  PHE  17           2HE      PHE  17   6.747  -4.239   1.097
  153    HE2  PHE  17           1HE      PHE  17   5.996  -3.203  -3.006
  154    HZ   PHE  17           HZ       PHE  17   6.624  -4.891  -1.297
  155    H    LYS  18           H        LYS  18   7.119   2.334  -1.193
  156    HA   LYS  18           HA       LYS  18   8.877   0.787  -2.720
  157    HB2  LYS  18           2HB      LYS  18   7.525   3.071  -3.150
  158    HB3  LYS  18           1HB      LYS  18   9.132   3.744  -2.885
  159    HG2  LYS  18           2HG      LYS  18   9.221   3.323  -5.170
  160    HG3  LYS  18           1HG      LYS  18   9.871   1.811  -4.540
  161    HD2  LYS  18           2HD      LYS  18   7.656   0.767  -4.702
  162    HD3  LYS  18           1HD      LYS  18   6.966   2.287  -5.273
  163    HE2  LYS  18           2HE      LYS  18   9.144   0.711  -6.678
  164    HE3  LYS  18           1HE      LYS  18   7.448   0.765  -7.160
  165    HZ1  LYS  18           3HZ      LYS  18   8.072   3.373  -6.970
  166    HZ2  LYS  18           1HZ      LYS  18   8.100   2.481  -8.411
  167    HZ3  LYS  18           2HZ      LYS  18   9.536   2.721  -7.535
  168    H    ARG  19           H        ARG  19   9.597   3.394  -0.389
  169    HA   ARG  19           HA       ARG  19  12.438   3.117  -0.745
  170    HB2  ARG  19           2HB      ARG  19  12.618   4.972   0.570
  171    HB3  ARG  19           1HB      ARG  19  10.904   5.130   0.200
  172    HG2  ARG  19           2HG      ARG  19  10.501   3.684   2.297
  173    HG3  ARG  19           1HG      ARG  19  12.175   4.024   2.708
  174    HD2  ARG  19           2HD      ARG  19   9.896   5.969   2.395
  175    HD3  ARG  19           1HD      ARG  19  10.894   5.701   3.816
  176    HE   ARG  19           HE       ARG  19  11.377   7.602   1.830
  177   HH11  ARG  19          1HH2      ARG  19  13.112   5.024   3.370
  178   HH12  ARG  19          2HH2      ARG  19  14.670   5.671   2.983
  179   HH21  ARG  19          1HH1      ARG  19  13.410   8.448   1.342
  180   HH22  ARG  19          2HH1      ARG  19  14.839   7.606   1.842
  181    H    ILE  20           H        ILE  20  10.027   1.659   1.274
  182    HA   ILE  20           HA       ILE  20  11.913   0.618   3.201
  183    HB   ILE  20           HB       ILE  20   9.178   1.082   3.189
  184   HG12  ILE  20          2HG1      ILE  20  10.772  -0.679   5.068
  185   HG13  ILE  20          1HG1      ILE  20  10.715   1.083   5.115
  186   HG21  ILE  20          1HG2      ILE  20   9.595  -1.918   3.333
  187   HG22  ILE  20          2HG2      ILE  20   8.875  -1.090   1.952
  188   HG23  ILE  20          3HG2      ILE  20   8.076  -1.045   3.520
  189   HD11  ILE  20          3HD1      ILE  20   8.464  -0.862   5.644
  190   HD12  ILE  20          1HD1      ILE  20   8.172   0.847   5.321
  191   HD13  ILE  20          2HD1      ILE  20   9.116   0.364   6.730
  192    H    VAL  21           H        VAL  21  10.234  -0.516   0.336
  193    HA   VAL  21           HA       VAL  21  11.412  -3.191   0.623
  194    HB   VAL  21           HB       VAL  21   8.973  -2.833   0.015
  195   HG11  VAL  21          1HG1      VAL  21   9.978  -1.043  -1.825
  196   HG12  VAL  21          2HG1      VAL  21   8.364  -1.746  -1.890
  197   HG13  VAL  21          3HG1      VAL  21   9.672  -2.459  -2.829
  198   HG21  VAL  21          3HG2      VAL  21  10.294  -4.940  -0.399
  199   HG22  VAL  21          1HG2      VAL  21  10.616  -4.354  -2.030
  200   HG23  VAL  21          2HG2      VAL  21   8.962  -4.698  -1.527
  201    H    GLN  22           H        GLN  22  13.433  -1.535   0.263
  202    HA   GLN  22           HA       GLN  22  14.052  -0.870  -2.435
  203    HB2  GLN  22           2HB      GLN  22  16.127  -1.402  -0.320
  204    HB3  GLN  22           1HB      GLN  22  16.161  -0.224  -1.633
  205    HG2  GLN  22           2HG      GLN  22  14.267   0.982  -0.544
  206    HG3  GLN  22           1HG      GLN  22  14.365  -0.148   0.806
  207   HE21  GLN  22          1HE2      GLN  22  17.498   0.206  -0.259
  208   HE22  GLN  22          2HE2      GLN  22  17.993   1.468   0.761
  209    H    ARG  23           H        ARG  23  13.102  -3.488  -2.428
  210    HA   ARG  23           HA       ARG  23  15.429  -5.248  -2.675
  211    HB2  ARG  23           2HB      ARG  23  12.518  -5.894  -3.179
  212    HB3  ARG  23           1HB      ARG  23  13.838  -7.034  -2.923
  213    HG2  ARG  23           2HG      ARG  23  14.157  -5.850  -0.640
  214    HG3  ARG  23           1HG      ARG  23  12.569  -5.154  -0.930
  215    HD2  ARG  23           2HD      ARG  23  11.608  -7.041  -0.181
  216    HD3  ARG  23           1HD      ARG  23  12.349  -7.941  -1.494
  217    HE   ARG  23           HE       ARG  23  12.962  -8.306   1.162
  218   HH11  ARG  23          1HH2      ARG  23  14.750  -7.302  -1.636
  219   HH12  ARG  23          2HH2      ARG  23  16.264  -7.884  -1.037
  220   HH21  ARG  23          1HH1      ARG  23  14.941  -9.064   1.938
  221   HH22  ARG  23          2HH1      ARG  23  16.374  -8.877   0.982