*HEADER    TOXIN                                   25-DEC-01   1KOZ              
*TITLE     SOLUTION STRUCTURE OF OMEGA-GRAMMOTOXIN SIA                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VOLTAGE-DEPENDENT CHANNEL INHIBITOR;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: OMEGA-GRAMMOTOXIN SIA;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED BY A SOLID-PHASE               
*SOURCE   4 METHODOLOGY                                                          
*KEYWDS    TOXIN, CYSTINE KNOT                                                   
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.TAKEUCHI, E.J.PARK, C.W.LEE, J.I.KIM, H.TAKAHASHI,                  
*AUTHOR   2 K.J.SWARTZ, I.SHIMADA                                                
*REVDAT   1   28-AUG-02 1KOZ    0  
! residue 1    Asp , NOEs forward in sequence
assi (resi 1    and name HA  ) (resi 2    and name HN  )  2.50  0.70  0.20
assi (resi 1    and name HA  ) (resi 2    and name HB# )  4.00  2.20  2.00
assi (resi 1    and name HB# ) (resi 2    and name HN  )  3.00  1.20  1.50
!add 000114
assi (resi 1    and name HB# ) (resi 3    and name HA  )  5.00  3.20  2.00


! residue 2    Cys , NOEs forward in sequence
assi (resi 2    and name HN  ) (resi 3    and name HN  )  4.00  2.20  1.00
assi (resi 2    and name HA  ) (resi 3    and name HN  )  2.50  0.70  0.20
assi (resi 2    and name HA  ) (resi 3    and name HB  )  4.00  2.20  1.00
assi (resi 2    and name HA  ) (resi 3    and name HG# )  3.00  1.20  2.00
assi (resi 2    and name HB# ) (resi 3    and name HN  )  3.00  1.20  1.50
assi (resi 2    and name HB# ) (resi 3    and name HG# )  4.00  2.20  3.50
assi (resi 2    and name HB# ) (resi 16   and name HN  )  3.00  1.20  1.50
assi (resi 2    and name HB# ) (resi 16   and name HB1 )  4.00  2.20  2.00
assi (resi 2    and name HB# ) (resi 16   and name HB2 )  4.00  2.20  2.00
! add 000107
assi (resi 2    and name HN  ) (resi 3    and name HA  )  5.00  3.20  1.00
assi (resi 2    and name HB# ) (resi 17   and name HD# )  4.00  2.20  3.00
assi (resi 2    and name HA  ) (resi 16   and name HB1 )  5.00  3.20  1.00
assi (resi 2    and name HA  ) (resi 16   and name HB2 )  4.00  2.20  1.00
assi (resi 2    and name HA  ) (resi 16   and name HN  )  4.00  2.20  1.00

! residue 3    Val , NOEs forward in sequence
assi (resi 3    and name HN  ) (resi 4    and name HN  )  4.00  2.20  1.00
assi (resi 3    and name HA  ) (resi 4    and name HN  )  2.50  0.70  0.20
assi (resi 3    and name HA  ) (resi 4    and name HB# )  4.00  2.20  2.00
assi (resi 3    and name HA  ) (resi 4    and name HG# )  4.00  2.20  2.00
assi (resi 3    and name HG# ) (resi 4    and name HA  )  4.00  2.20  2.50
assi (resi 3    and name HG# ) (resi 4    and name HB# )  4.00  2.20  3.50
assi (resi 3    and name HN  ) (resi 15   and name HA  )  4.00  2.20  1.00
assi (resi 3    and name HN  ) (resi 15   and name HB# )  4.00  2.20  2.00
assi (resi 3    and name HB  ) (resi 15   and name HA  )  2.50  0.70  0.20
assi (resi 3    and name HG# ) (resi 15   and name HA  )  3.00  1.20  2.00
assi (resi 3    and name HN  ) (resi 16   and name HN  )  3.00  1.20  0.50
assi (resi 3    and name HN  ) (resi 16   and name HB2 )  5.00  3.20  1.00
assi (resi 3    and name HB  ) (resi 16   and name HN  )  3.00  1.20  0.50
assi (resi 3    and name HG# ) (resi 16   and name HN  )  4.00  2.20  2.50

assi (resi 3    and name HG# ) (resi 4    and name HN  )  2.50  0.70  1.70
assi (resi 3    and name HG# ) (resi 14   and name HB# )  3.00  1.20  3.00
!add 000114
assi (resi 3    and name HG# ) (resi 14   and name HA  )  4.00  2.20  2.50
assi (resi 3    and name HN  ) (resi 19   and name HD2#)  5.00  3.20  2.50
assi (resi 3    and name HG# ) (resi 9    and name HA  )  4.00  2.20  2.50

! residue 4    Arg , NOEs forward in sequence
assi (resi 4    and name HA  ) (resi 5    and name HN  )  2.50  0.70  0.20
assi (resi 4    and name HA  ) (resi 5    and name HB# )  4.00  2.20  2.00
assi (resi 4    and name HA  ) (resi 5    and name HD# )  5.00  3.20  3.00
assi (resi 4    and name HB# ) (resi 5    and name HN  )  2.50  0.70  1.20
assi (resi 4    and name HB# ) (resi 5    and name HB# )  4.00  2.20  3.00
assi (resi 4    and name HB# ) (resi 5    and name HD# )  5.00  3.20  4.00
assi (resi 4    and name HG# ) (resi 5    and name HN  )  3.00  1.20  1.50
assi (resi 4    and name HD# ) (resi 5    and name HN  )  4.00  2.20  2.00
assi (resi 4    and name HN  ) (resi 7    and name HA# )  4.00  2.20  2.00
assi (resi 4    and name HA  ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 4    and name HA  ) (resi 16   and name HB2 )  4.00  2.20  1.00
assi (resi 4    and name HN  ) (resi 19   and name HD# )  4.00  2.20  2.50
assi (resi 4    and name HA  ) (resi 19   and name HD# )  2.50  0.70  1.50
assi (resi 4    and name HB# ) (resi 19   and name HD# )  4.00  2.20  3.50

!add 000114
assi (resi 4    and name HG# ) (resi 7    and name HA# )  4.00  2.20  3.00


! residue 5    Phe , NOEs forward in sequence
assi (resi 5    and name HN  ) (resi 6    and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 6    and name HN  )  2.50  0.70  0.20
assi (resi 5    and name HA  ) (resi 6    and name HA  )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 6    and name HD1 )  4.00  2.20  1.00
assi (resi 5    and name HZ  ) (resi 6    and name HE1 )  4.00  2.20  1.00
assi (resi 5    and name HB# ) (resi 6    and name HN  )  3.00  1.20  1.50
assi (resi 5    and name HB# ) (resi 6    and name HD1 )  4.00  2.20  2.00
assi (resi 5    and name HD# ) (resi 6    and name HN  )  3.00  1.20  2.50
assi (resi 5    and name HD# ) (resi 6    and name HA  )  4.00  2.20  3.00
assi (resi 5    and name HD# ) (resi 6    and name HB# )  4.00  2.20  3.00
assi (resi 5    and name HE# ) (resi 6    and name HE1 )  4.00  2.20  3.00
assi (resi 5    and name HA  ) (resi 7    and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HN  ) (resi 19   and name HD# )  3.00  1.20  2.00
assi (resi 5    and name HA  ) (resi 19   and name HD# )  3.00  1.20  2.00
assi (resi 5    and name HB# ) (resi 19   and name HD# )  4.00  2.20  3.50
assi (resi 5    and name HD# ) (resi 19   and name HG  )  4.00  2.20  3.00
assi (resi 5    and name HD# ) (resi 19   and name HD# )  3.00  1.20  4.00
assi (resi 5    and name HA  ) (resi 30   and name HB# )  4.00  2.20  2.00
assi (resi 5    and name HB# ) (resi 31   and name HA  )  4.00  2.20  2.00
assi (resi 5    and name HD# ) (resi 31   and name HA  )  2.50  0.70  2.20
assi (resi 5    and name HD# ) (resi 31   and name HB  )  4.00  2.20  3.00
assi (resi 5    and name HE# ) (resi 31   and name HA  )  2.50  0.70  2.20
assi (resi 5    and name HE# ) (resi 31   and name HB  )  3.00  1.20  2.50
assi (resi 5    and name HD# ) (resi 32   and name HN  )  4.00  2.20  3.00
assi (resi 5    and name HD# ) (resi 32   and name HA  )  4.00  2.20  3.00
assi (resi 5    and name HE# ) (resi 32   and name HB1 )  4.00  2.20  3.00
assi (resi 5    and name HE# ) (resi 32   and name HB2 )  4.00  2.20  3.00

assi (resi 5    and name HA  ) (resi 31   and name HA  )  4.00  2.20  1.00
assi (resi 5    and name HD# ) (resi 31   and name HG# )  3.00  2.20  4.00
assi (resi 5    and name HD# ) (resi 32   and name HE1 )  5.00  3.20  3.00
!add 000107
assi (resi 5    and name HA  ) (resi 19   and name HG  )  5.00  3.20  1.00
assi (resi 5    and name HE# ) (resi 32   and name HE1 )  4.00  2.20  3.00
! assi (resi 5    and name HB# ) (resi 32   and name HE1 )  5.00  3.20  2.00
!add 000114
assi (resi 5    and name HN  ) (resi 6    and name HD1 )  5.00  3.20  1.00
assi (resi 5    and name HE# ) (resi 6    and name HD1 )  5.00  3.20  3.00
assi (resi 5    and name HZ  ) (resi 6    and name HZ2 )  3.00  1.20  0.50
! assi (resi 5    and name HZ  ) (resi 6    and name HG# )  4.00  2.20  2.00
! assi (resi 5    and name HZ  ) (resi 19   and name HD# )  5.00  3.20  2.50
assi (resi 5    and name HZ  ) (resi 29   and name HD1#)  5.00  3.20  2.50
assi (resi 5    and name HD# ) (resi 7    and name HN  )  4.00  2.20  3.00
! assi (resi 5    and name HA  ) (resi 32   and name HE1 )  5.00  3.20  1.00
assi (resi 5    and name HZ  ) (resi 31   and name HA  )  4.00  2.20  1.00
assi (resi 5    and name HZ  ) (resi 32   and name HE1 )  4.00  2.20  1.00
assi (resi 5    and name HE# ) (resi 19   and name HD# )  4.00  2.20  4.50
assi (resi 5    and name HB# ) (resi 32   and name HN  )  4.00  3.20  2.00


! residue 6    Trp , NOEs forward in sequence
assi (resi 6    and name HN  ) (resi 7    and name HN  )  3.00  1.20  0.50
assi (resi 6    and name HA  ) (resi 7    and name HN  )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 19   and name HD# )  4.00  2.20  2.50
assi (resi 6    and name HN  ) (resi 29   and name HB  )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 29   and name HG2#)  5.00  3.20  2.50
assi (resi 6    and name HN  ) (resi 29   and name HD1#)  4.00  2.20  2.50
assi (resi 6    and name HA  ) (resi 29   and name HB  )  3.00  1.20  0.50
assi (resi 6    and name HA  ) (resi 29   and name HG2#)  3.00  1.20  2.00
assi (resi 6    and name HA  ) (resi 29   and name HD1#)  3.00  1.20  2.00
assi (resi 6    and name HD1 ) (resi 29   and name HD1#)  4.00  2.20  2.50
assi (resi 6    and name HE1 ) (resi 29   and name HD1#)  5.00  3.20  2.50
assi (resi 6    and name HE3 ) (resi 29   and name HB  )  4.00  2.20  1.00
assi (resi 6    and name HE3 ) (resi 29   and name HG2#)  4.00  2.20  2.50
assi (resi 6    and name HE3 ) (resi 29   and name HD1#)  3.00  1.20  2.00
assi (resi 6    and name HN  ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 30   and name HB# )  4.00  2.20  2.00
assi (resi 6    and name HA  ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 6    and name HE1 ) (resi 31   and name HG# )  4.00  2.20  2.50
assi (resi 6    and name HE3 ) (resi 31   and name HG# )  3.00  1.20  2.00

assi (resi 6    and name HA  ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 6    and name HB# ) (resi 29   and name HG2#)  4.00  2.20  3.50
assi (resi 6    and name HZ2 ) (resi 29   and name HD1#)  5.00  3.20  2.50
! add 000107
assi (resi 6    and name HN  ) (resi 31   and name HA  )  4.00  2.20  1.00
! assi (resi 6    and name HA  ) (resi 21   and name HA  )  5.00  3.20  1.00
!add 000114
assi (resi 6    and name HD1 ) (resi 31   and name HA  )  5.00  3.20  1.00
assi (resi 6    and name HA  ) (resi 31   and name HG# )  4.00  2.20  2.50
assi (resi 6    and name HB# ) (resi 29   and name HD1#)  5.00  3.20  3.50


! residue 7    Gly , NOEs forward in sequence
assi (resi 7    and name HN  ) (resi 8    and name HN  )  4.00  2.20  1.00
assi (resi 7    and name HA# ) (resi 8    and name HN  )  2.50  0.70  1.20
assi (resi 7    and name HA# ) (resi 8    and name HB# )  4.00  2.20  3.00
assi (resi 7    and name HN  ) (resi 19   and name HD# )  5.00  3.20  2.50
assi (resi 7    and name HN  ) (resi 29   and name HB  )  2.50  0.70  0.20
assi (resi 7    and name HA# ) (resi 29   and name HB  )  2.50  0.70  1.20
assi (resi 7    and name HN  ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 7    and name HN  ) (resi 30   and name HB# )  3.00  1.20  1.50
assi (resi 7    and name HA# ) (resi 30   and name HN  )  4.00  2.20  2.00

! add 000107
assi (resi 7    and name HA# ) (resi 8    and name HA  )  5.00  3.20  2.00
!add 000114
assi (resi 7    and name HA# ) (resi 29   and name HG2#)  5.00  3.20  2.50

! residue 8    Lys , NOEs forward in sequence
assi (resi 8    and name HA  ) (resi 9    and name HN  )  2.50  0.70  0.20
assi (resi 8    and name HN  ) (resi 29   and name HB  )  3.00  1.20  0.50
assi (resi 8    and name HN  ) (resi 29   and name HG2#)  3.00  1.20  2.00
assi (resi 8    and name HA  ) (resi 29   and name HB  )  4.00  2.20  1.00
assi (resi 8    and name HA  ) (resi 29   and name HG2#)  4.00  2.20  2.50
assi (resi 8    and name HA  ) (resi 30   and name HN  )  4.00  2.20  1.00
! assi (resi 8    and name HB# ) (resi 32   and name HN  )  4.00  2.20  2.00
! assi (resi 8    and name HG# ) (resi 32   and name HN  )  4.00  2.20  2.00
! assi (resi 8    and name HZ# ) (resi 36   and name HN  )  5.00  3.20  2.50
assi (resi 8    and name HA  ) (resi 29   and name HA  )  3.00  1.20  0.50

! residue 9    Cys , NOEs forward in sequence
assi (resi 9    and name HN  ) (resi 10   and name HN  )  4.00  2.20  1.00
assi (resi 9    and name HA  ) (resi 10   and name HN  )  2.50  0.70  0.20
assi (resi 9    and name HB# ) (resi 10   and name HN  )  3.00  1.20  1.50
assi (resi 9    and name HB# ) (resi 11   and name HN  )  5.00  3.20  2.00
assi (resi 9    and name HB# ) (resi 15   and name HB# )  3.00  1.20  2.50
assi (resi 9    and name HB# ) (resi 21   and name HA  )  4.00  2.20  2.00
assi (resi 9    and name HN  ) (resi 29   and name HA  )  3.00  1.20  0.50
assi (resi 9    and name HB# ) (resi 29   and name HB  )  3.00  1.20  1.50

! add 000107
assi (resi 9    and name HN  ) (resi 14   and name HB# )  4.00  2.20  2.00
assi (resi 9    and name HN  ) (resi 29   and name HG2#)  4.00  2.20  2.50
assi (resi 9    and name HN  ) (resi 29   and name HB  )  4.00  2.20  1.00
assi (resi 9    and name HA  ) (resi 30   and name HB# )  4.00  2.20  2.00
assi (resi 9    and name HA  ) (resi 14   and name HB# )  3.00  1.20  1.50

! residue 10   Ser , NOEs forward in sequence
! assi (resi 10   and name HB# ) (resi 16   and name HN  )  4.00  2.20  2.00
! assi (resi 10   and name HB# ) (resi 19   and name HD# )  5.00  3.20  3.50

assi (resi 10   and name HN  ) (resi 11   and name HN  )  4.00  2.20  1.00
! add 000107
assi (resi 10   and name HN  ) (resi 11   and name HB# )  4.00  2.20  2.00
assi (resi 10   and name HB# ) (resi 14   and name HB# )  4.00  2.20  3.00
! add 000114
assi (resi 10   and name HA  ) (resi 28   and name HD2#)  4.00  2.20  2.00
! assi (resi 10   and name HN  ) (resi 29   and name HN  )  5.00  3.20  1.00
assi (resi 10   and name HB# ) (resi 21   and name HB1 )  5.00  3.20  2.00
! assi (resi 10   and name HB# ) (resi 30   and name HN  )  4.00  2.20  2.00

! residue 11   Gln , NOEs forward in sequence
assi (resi 11   and name HB# ) (resi 12   and name HB  )  4.00  2.20  2.00

! assi (resi 11   and name HN  ) (resi 30   and name HB# )  4.00  2.20  2.00

! residue 12   Thr , NOEs forward in sequence
assi (resi 12   and name HA  ) (resi 13   and name HB# )  3.00  1.20  1.50


! residue 13   Ser , NOEs forward in sequence
assi (resi 13   and name HA  ) (resi 14   and name HN  )  5.00  3.20  1.00


! residue 14   Asp , NOEs forward in sequence


! residue 15   Cys , NOEs forward in sequence
assi (resi 15   and name HA  ) (resi 16   and name HN  )  2.50  0.70  0.20
assi (resi 15   and name HB# ) (resi 16   and name HN  )  3.00  1.20  1.50
assi (resi 15   and name HA  ) (resi 19   and name HB# )  4.00  2.20  2.00
assi (resi 15   and name HA  ) (resi 19   and name HD# )  4.00  2.20  2.50
assi (resi 15   and name HB# ) (resi 19   and name HN  )  4.00  2.20  2.00
assi (resi 15   and name HB# ) (resi 19   and name HB# )  2.50  0.70  2.20
assi (resi 15   and name HB# ) (resi 19   and name HD# )  2.50  0.70  2.70
assi (resi 15   and name HB# ) (resi 20   and name HN  )  4.00  2.20  2.00
assi (resi 15   and name HB# ) (resi 30   and name HB# )  2.50  0.70  2.20
! add 000114
assi (resi 15   and name HB# ) (resi 30   and name HA  )  4.00  2.20  2.00
assi (resi 15   and name HB# ) (resi 19   and name HA  )  5.00  3.20  2.00
assi (resi 15   and name HA  ) (resi 30   and name HB# )  3.00  1.20  1.50


! residue 16   Cys , NOEs forward in sequence
assi (resi 16   and name HA  ) (resi 17   and name HB1 )  5.00  3.20  1.00
assi (resi 16   and name HA  ) (resi 17   and name HB2 )  5.00  3.20  1.00
assi (resi 16   and name HA  ) (resi 17   and name HG# )  4.00  2.20  2.00
assi (resi 16   and name HA  ) (resi 17   and name HD# )  2.50  0.70  1.20
assi (resi 16   and name HB1 ) (resi 17   and name HG# )  4.00  2.20  2.00
assi (resi 16   and name HB1 ) (resi 17   and name HD# )  2.50  0.70  1.20
assi (resi 16   and name HB2 ) (resi 17   and name HD# )  3.00  1.20  1.50
assi (resi 16   and name HN  ) (resi 18   and name HB# )  5.00  3.20  2.00
assi (resi 16   and name HN  ) (resi 19   and name HG  )  5.00  3.20  1.00
assi (resi 16   and name HN  ) (resi 19   and name HB# )  4.00  2.20  2.00
assi (resi 16   and name HN  ) (resi 19   and name HD# )  3.00  1.20  2.00
assi (resi 16   and name HA  ) (resi 19   and name HD# )  4.00  2.20  2.50
assi (resi 16   and name HB1 ) (resi 19   and name HD# )  2.50  0.70  1.70
assi (resi 16   and name HB2 ) (resi 19   and name HD# )  2.50  0.70  1.70
assi (resi 16   and name HN  ) (resi 30   and name HB# )  4.00  2.20  2.00
! add 000107
assi (resi 16   and name HB1 ) (resi 18   and name HB2 )  2.50  0.70  0.20
assi (resi 16   and name HB2 ) (resi 18   and name HB2 )  4.00  2.20  1.00
! add 000114
assi (resi 16   and name HN  ) (resi 17   and name HD# )  4.00  2.20  2.00
assi (resi 16   and name HB1 ) (resi 18   and name HN  )  4.00  2.20  1.00


! residue 17   Pro , NOEs forward in sequence
assi (resi 17   and name HB1 ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 17   and name HB2 ) (resi 18   and name HN  )  3.00  1.20  0.50
assi (resi 17   and name HB1 ) (resi 18   and name HD2 )  4.00  2.20  2.00
assi (resi 17   and name HB2 ) (resi 18   and name HD2 )  3.00  1.20  0.50
assi (resi 17   and name HG# ) (resi 18   and name HN  )  4.00  2.20  2.00
assi (resi 17   and name HD# ) (resi 19   and name HN  )  4.00  2.20  2.00

!add 000113
assi (resi 17   and name HA  ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 17   and name HA  ) (resi 19   and name HN  )  4.00  2.20  1.00
assi (resi 17   and name HD# ) (resi 19   and name HD# )  4.00  3.20  3.50
assi (resi 17   and name HD# ) (resi 18   and name HN  )  4.00  2.20  2.00


! residue 18   His , NOEs forward in sequence
assi (resi 18   and name HN  ) (resi 19   and name HN  )  2.50  0.70  0.20
assi (resi 18   and name HA  ) (resi 19   and name HN  )  3.00  1.20  0.50
! assi (resi 18   and name HD2 ) (resi 32   and name HE1 )  3.00  1.20  0.50
assi (resi 18   and name HB1 ) (resi 32   and name HE3 )  3.00  1.20  0.50
assi (resi 18   and name HB2 ) (resi 32   and name HE3 )  4.00  2.20  1.00
assi (resi 18   and name HB1 ) (resi 32   and name HZ3 )  3.00  1.20  0.50
assi (resi 18   and name HB2 ) (resi 32   and name HZ3 )  4.00  2.20  1.00

assi (resi 18   and name HN  ) (resi 19   and name HG  )  4.00  2.20  1.00
assi (resi 18   and name HB2 ) (resi 19   and name HD# )  4.00  2.20  2.50
! add 000107
assi (resi 18   and name HB1 ) (resi 19   and name HG  )  4.00  2.20  1.00
! add 000114
assi (resi 18   and name HN  ) (resi 19   and name HB# )  4.00  2.20  2.00
assi (resi 18   and name HN  ) (resi 19   and name HD# )  4.00  2.20  3.50

! residue 19   Leu , NOEs forward in sequence
assi (resi 19   and name HN  ) (resi 20   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HA  ) (resi 20   and name HN  )  2.50  0.70  0.20
assi (resi 19   and name HB# ) (resi 20   and name HN  )  2.50  0.70  1.20
assi (resi 19   and name HD# ) (resi 20   and name HN  )  4.00  2.20  2.50
assi (resi 19   and name HB# ) (resi 30   and name HB# )  3.00  1.20  2.50
assi (resi 19   and name HD# ) (resi 30   and name HB# )  3.00  1.20  3.00
assi (resi 19   and name HA  ) (resi 31   and name HN  )  5.00  3.20  1.00
assi (resi 19   and name HB# ) (resi 31   and name HN  )  4.00  2.20  2.00
assi (resi 19   and name HD# ) (resi 31   and name HN  )  4.00  2.20  2.50
assi (resi 19   and name HD# ) (resi 31   and name HA  )  4.00  2.20  2.50
assi (resi 19   and name HD# ) (resi 31   and name HG# )  4.00  2.20  4.50
assi (resi 19   and name HA  ) (resi 32   and name HE3 )  4.00  2.20  1.00
assi (resi 19   and name HA  ) (resi 32   and name HB1 )  5.00  3.20  1.00
assi (resi 19   and name HA  ) (resi 32   and name HB2 )  5.00  3.20  1.00
assi (resi 19   and name HG  ) (resi 32   and name HE3 )  3.00  1.20  0.50
assi (resi 19   and name HG  ) (resi 32   and name HZ3 )  4.00  2.20  1.00
assi (resi 19   and name HD# ) (resi 32   and name HN  )  4.00  2.20  2.50
assi (resi 19   and name HD# ) (resi 32   and name HA  )  2.50  0.70  1.70
assi (resi 19   and name HD# ) (resi 32   and name HD1 )  5.00  3.20  2.50
assi (resi 19   and name HD# ) (resi 32   and name HE3 )  3.00  1.20  2.00
assi (resi 19   and name HD# ) (resi 32   and name HZ3 )  4.00  2.20  2.50
assi (resi 19   and name HD# ) (resi 32   and name HB1 )  4.00  2.20  2.50
assi (resi 19   and name HD# ) (resi 32   and name HB2 )  4.00  2.20  2.50
assi (resi 19   and name HA  ) (resi 33   and name HN  )  2.50  0.70  0.20
assi (resi 19   and name HD# ) (resi 33   and name HN  )  3.00  1.20  2.00

assi (resi 19   and name HG  ) (resi 33   and name HN  )  4.00  2.20  1.00
! add 000107
assi (resi 19   and name HG  ) (resi 20   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HA  ) (resi 20   and name HB# )  4.00  2.20  2.50
assi (resi 19   and name HG  ) (resi 30   and name HB# )  5.00  3.20  2.00
assi (resi 19   and name HA  ) (resi 33   and name HB# )  4.00  2.20  2.00
! add 000114
assi (resi 19   and name HB# ) (resi 32   and name HA  )  4.00  2.20  1.00
assi (resi 19   and name HB# ) (resi 30   and name HA  )  4.00  2.20  2.00
assi (resi 19   and name HB# ) (resi 33   and name HN  )  4.00  2.20  2.00
assi (resi 19   and name HG  ) (resi 32   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HA  ) (resi 32   and name HN  )  5.00  3.20  1.00

! residue 20   Ala , NOEs forward in sequence
assi (resi 20   and name HA  ) (resi 21   and name HN  )  2.50  0.70  0.20
assi (resi 20   and name HB# ) (resi 21   and name HN  )  3.00  1.20  2.00
assi (resi 20   and name HN  ) (resi 30   and name HA  )  4.00  2.20  1.00
assi (resi 20   and name HN  ) (resi 31   and name HN  )  3.00  1.20  0.50
assi (resi 20   and name HN  ) (resi 31   and name HB  )  5.00  3.20  1.00
assi (resi 20   and name HN  ) (resi 31   and name HG# )  3.00  2.20  2.00
assi (resi 20   and name HN  ) (resi 32   and name HA  )  4.00  2.20  1.00
assi (resi 20   and name HN  ) (resi 33   and name HN  )  4.00  2.20  1.00
assi (resi 20   and name HN  ) (resi 33   and name HA  )  4.00  2.20  1.00
assi (resi 20   and name HN  ) (resi 33   and name HB# )  4.00  2.20  2.00
assi (resi 20   and name HB# ) (resi 33   and name HA  )  4.00  2.20  2.50
assi (resi 20   and name HB# ) (resi 33   and name HB# )  3.00  2.20  3.00

assi (resi 20   and name HB# ) (resi 33   and name HN  )  4.00  2.20  2.50
! add 000107
assi (resi 20   and name HN  ) (resi 21   and name HB2 )  5.00  3.20  1.00
assi (resi 20   and name HA  ) (resi 33   and name HB# )  5.00  3.20  2.00
! add 000114
assi (resi 20   and name HB# ) (resi 22   and name HE# )  2.50  0.70  3.20


! residue 21   Cys , NOEs forward in sequence
assi (resi 21   and name HA  ) (resi 22   and name HN  )  3.00  1.20  0.50
assi (resi 21   and name HA  ) (resi 22   and name HB# )  4.00  2.20  2.00
! add 000107
assi (resi 21   and name HA  ) (resi 30   and name HB# )  4.00  2.20  2.00
! add 000114
assi (resi 21   and name HA  ) (resi 31   and name HN  )  3.00  1.20  0.50
assi (resi 21   and name HB2 ) (resi 30   and name HA  )  4.00  2.20  1.00
assi (resi 21   and name HA  ) (resi 23   and name HN  )  5.00  3.20  1.00

! residue 22   Lys , NOEs forward in sequence
assi (resi 22   and name HA  ) (resi 23   and name HN  )  2.50  0.70  0.20
assi (resi 22   and name HB# ) (resi 23   and name HN  )  3.00  1.20  1.50
assi (resi 22   and name HG# ) (resi 23   and name HN  )  4.00  2.20  2.00
assi (resi 22   and name HZ# ) (resi 31   and name HG# )  5.00  3.20  4.00

assi (resi 22   and name HG# ) (resi 31   and name HG# )  4.00  2.20  3.50
! add 000107
assi (resi 22   and name HG# ) (resi 31   and name HN  )  4.00  2.20  1.00
! add 000114
assi (resi 22   and name HB# ) (resi 23   and name HB# )  5.00  3.20  3.00
assi (resi 22   and name HB# ) (resi 31   and name HG# )  3.00  1.20  3.00
assi (resi 22   and name HN  ) (resi 29   and name HN  )  5.00  3.20  1.00

! residue 23   Ser , NOEs forward in sequence
assi (resi 23   and name HA  ) (resi 24   and name HN  )  2.50  0.70  0.20
assi (resi 23   and name HA  ) (resi 24   and name HB# )  4.00  2.20  2.00
assi (resi 23   and name HB# ) (resi 24   and name HN  )  4.00  2.20  2.00
! add 000107
assi (resi 23   and name HB# ) (resi 24   and name HG# )  4.00  2.20  1.00
! add 000114
assi (resi 23   and name HB# ) (resi 27   and name HG# )  4.00  2.20  3.00
assi (resi 23   and name HB# ) (resi 27   and name HB# )  5.00  3.20  3.00
assi (resi 23   and name HN  ) (resi 26   and name HG# )  4.00  2.20  2.00
assi (resi 23   and name HN  ) (resi 31   and name HG# )  4.00  2.20  2.50
assi (resi 23   and name HA  ) (resi 29   and name HN  )  4.00  3.20  1.00


! residue 24   Lys , NOEs forward in sequence
assi (resi 24   and name HA  ) (resi 25   and name HN  )  3.00  1.20  0.50
assi (resi 24   and name HA  ) (resi 25   and name HB1 )  4.00  2.20  1.00
assi (resi 24   and name HA  ) (resi 25   and name HB2 )  4.00  2.20  1.00
assi (resi 24   and name HB# ) (resi 25   and name HN  )  4.00  2.20  2.00
assi (resi 24   and name HG# ) (resi 25   and name HN  )  4.00  2.20  2.00
! add 000114
assi (resi 24   and name HA  ) (resi 27   and name HG# )  5.00  3.20  2.00


! residue 25   Trp , NOEs forward in sequence
assi (resi 25   and name HA  ) (resi 26   and name HA  )  4.00  2.20  1.00
! assi (resi 25   and name HD1 ) (resi 26   and name HA  )  4.00  2.20  1.00
assi (resi 25   and name HE1 ) (resi 26   and name HA  )  4.00  2.20  1.00
assi (resi 25   and name HE1 ) (resi 26   and name HB# )  5.00  3.20  2.00
assi (resi 25   and name HE3 ) (resi 26   and name HA  )  5.00  3.20  1.00
assi (resi 25   and name HA  ) (resi 27   and name HN  )  4.00  2.20  1.00
assi (resi 25   and name HE3 ) (resi 27   and name HD# )  4.00  2.20  2.00

assi (resi 25   and name HA  ) (resi 27   and name HB# )  4.00  2.20  2.00
! add 000114
assi (resi 25   and name HA  ) (resi 27   and name HG# )  4.00  2.20  2.00
assi (resi 25   and name HD1 ) (resi 26   and name HD# )  3.00  1.20  1.50
assi (resi 25   and name HD3 ) (resi 26   and name HD# )  4.00  2.20  2.00
assi (resi 25   and name HB1 ) (resi 26   and name HA  )  4.00  2.20  1.00

! residue 26   Pro , NOEs forward in sequence
assi (resi 26   and name HA  ) (resi 27   and name HN  )  3.00  1.20  0.50
assi (resi 26   and name HD# ) (resi 27   and name HN  )  4.00  2.20  2.00
assi (resi 26   and name HA  ) (resi 29   and name HG1#)  4.00  2.20  2.00

assi (resi 26   and name HG# ) (resi 27   and name HN  )  4.00  2.20  2.00
! add 000114
assi (resi 26   and name HB# ) (resi 29   and name HG1#)  3.00  1.20  2.50
assi (resi 26   and name HB# ) (resi 29   and name HG2#)  3.00  1.20  3.00
assi (resi 26   and name HG# ) (resi 29   and name HG1#)  3.00  1.20  2.50

! residue 27   Arg , NOEs forward in sequence
assi (resi 27   and name HA  ) (resi 28   and name HN  )  2.50  0.70  0.20
assi (resi 27   and name HE  ) (resi 29   and name HG2#)  5.00  3.20  2.50

! add 000114
assi (resi 27   and name HG# ) (resi 29   and name HG2#)  4.00  2.20  3.50
assi (resi 27   and name HG# ) (resi 28   and name HN  )  4.00  2.20  2.00

! residue 28   Asn , NOEs forward in sequence
assi (resi 28   and name HA  ) (resi 29   and name HN  )  3.00  1.20  0.50

! add 000114
! assi (resi 28   and name HD2#) (resi 29   and name HG1#)  5.00  3.20  3.00


! residue 29   Ile , NOEs forward in sequence
assi (resi 29   and name HA  ) (resi 30   and name HN  )  2.50  0.70  0.20
assi (resi 29   and name HB  ) (resi 30   and name HB# )  3.00  1.20  1.50
assi (resi 29   and name HG2#) (resi 30   and name HN  )  3.00  1.20  2.00
assi (resi 29   and name HD1#) (resi 30   and name HN  )  5.00  3.20  2.50
assi (resi 29   and name HG1#) (resi 30   and name HN  )  4.00  2.20  2.00

assi (resi 29   and name HB  ) (resi 30   and name HN  )  3.00  1.20  0.50
! add 000114
assi (resi 29   and name HA  ) (resi 30   and name HB# )  4.00  2.20  2.00

! residue 30   Cys , NOEs forward in sequence
assi (resi 30   and name HA  ) (resi 31   and name HN  )  2.50  0.70  0.20
assi (resi 30   and name HB# ) (resi 31   and name HN  )  4.00  2.20  2.00
! add 000114
assi (resi 30   and name HN  ) (resi 31   and name HN  )  5.00  3.20  1.00
assi (resi 30   and name HA  ) (resi 31   and name HG# )  3.00  1.20  2.00
assi (resi 30   and name HN  ) (resi 31   and name HA  )  5.00  3.20  1.00


! residue 31   Val , NOEs forward in sequence
assi (resi 31   and name HA  ) (resi 32   and name HN  )  3.00  1.20  0.50
assi (resi 31   and name HB  ) (resi 32   and name HN  )  3.00  1.20  0.50
assi (resi 31   and name HG# ) (resi 32   and name HN  )  4.00  2.20  2.50
assi (resi 31   and name HG# ) (resi 33   and name HN  )  5.00  3.20  2.50
! add 000114
assi (resi 31   and name HG# ) (resi 32   and name HA  )  5.00  3.20  2.50
assi (resi 31   and name HG# ) (resi 33   and name HA  )  4.00  3.20  2.50
! assi (resi 31   and name HN  ) (resi 33   and name HN  )  5.00  3.20  1.00
assi (resi 31   and name HG# ) (resi 32   and name HD1 )  5.00  3.20  2.50
assi (resi 31   and name HA  ) (resi 32   and name HB1 )  5.00  3.20  1.00
assi (resi 31   and name HA  ) (resi 32   and name HB2 )  5.00  3.20  1.00
assi (resi 31   and name HG# ) (resi 32   and name HB1 )  4.00  2.20  2.00


! residue 32   Trp , NOEs forward in sequence
assi (resi 32   and name HA  ) (resi 33   and name HN  )  2.50  0.70  0.20
assi (resi 32   and name HE3 ) (resi 33   and name HN  )  3.00  1.20  0.50
assi (resi 32   and name HB1 ) (resi 33   and name HN  )  4.00  2.20  1.00
assi (resi 32   and name HB2 ) (resi 33   and name HN  )  4.00  2.20  1.00

assi (resi 32   and name HD1 ) (resi 33   and name HN  )  4.00  2.20  1.00
! add 000114
assi (resi 32   and name HN  ) (resi 33   and name HN  )  4.00  3.20  1.00
assi (resi 32   and name HE1 ) (resi 35   and name HN  )  5.00  3.20  1.00
assi (resi 32   and name HA  ) (resi 33   and name HB# )  4.00  2.20  2.00

! residue 33   Asp , NOEs forward in sequence
assi (resi 33   and name HA  ) (resi 34   and name HN  )  3.00  1.20  0.50
assi (resi 33   and name HB# ) (resi 34   and name HN  )  4.00  2.20  2.00
assi (resi 33   and name HA  ) (resi 35   and name HN  )  4.00  2.20  1.00

assi (resi 33   and name HN  ) (resi 34   and name HN  )  4.00  2.20  1.00
! add 000114
assi (resi 33   and name HN  ) (resi 35   and name HN  )  5.00  3.20  1.00

! residue 34   Gly , NOEs forward in sequence
assi (resi 34   and name HA# ) (resi 35   and name HN  )  2.50  0.70  1.20
assi (resi 34   and name HA# ) (resi 36   and name HN  )  3.00  1.20  1.50

assi (resi 34   and name HN  ) (resi 35   and name HN  )  4.00  2.20  1.00
assi (resi 34   and name HA# ) (resi 35   and name HA  )  3.00  1.20  1.50

! residue 35   Ser , NOEs forward in sequence
assi (resi 35   and name HN  ) (resi 36   and name HN  )  4.00  2.20  1.00
assi (resi 35   and name HA  ) (resi 36   and name HN  )  2.50  0.70  0.20
assi (resi 35   and name HB# ) (resi 36   and name HN  )  4.00  2.20  2.00


! intra residue
assi (resi 1    and name HA  ) (resi 1    and name HB# )  3.00  1.20  1.50
assi (resi 2    and name HN  ) (resi 2    and name HA  )  3.00  1.20  0.50
assi (resi 2    and name HN  ) (resi 2    and name HB# )  2.50  0.70  1.20
assi (resi 2    and name HA  ) (resi 2    and name HB# )  2.50  0.70  1.20
assi (resi 3    and name HN  ) (resi 3    and name HA  )  3.00  1.20  0.50
assi (resi 3    and name HN  ) (resi 3    and name HB  )  2.50  0.70  0.20
assi (resi 3    and name HN  ) (resi 3    and name HG# )  2.50  0.70  1.70
assi (resi 3    and name HA  ) (resi 3    and name HB  )  3.00  1.20  0.50
assi (resi 3    and name HA  ) (resi 3    and name HG# )  2.50  0.70  1.70
assi (resi 4    and name HN  ) (resi 4    and name HA  )  3.00  1.20  0.50
assi (resi 4    and name HN  ) (resi 4    and name HB# )  2.50  0.70  1.20
assi (resi 4    and name HN  ) (resi 4    and name HG# )  2.50  0.70  1.20
assi (resi 4    and name HN  ) (resi 4    and name HD# )  4.00  2.20  2.00
assi (resi 4    and name HA  ) (resi 4    and name HB# )  2.50  0.70  1.20
assi (resi 4    and name HA  ) (resi 4    and name HG# )  3.00  1.20  1.50
assi (resi 4    and name HA  ) (resi 4    and name HE  )  5.00  3.20  1.00
assi (resi 4    and name HA  ) (resi 4    and name HD# )  4.00  2.20  2.00
assi (resi 4    and name HB# ) (resi 4    and name HD# )  2.50  0.70  2.20
assi (resi 4    and name HB# ) (resi 4    and name HG# )  2.50  0.70  2.20
assi (resi 4    and name HB# ) (resi 4    and name HE  )  4.00  2.20  2.00
assi (resi 4    and name HG# ) (resi 4    and name HE  )  4.00  2.20  2.00
assi (resi 4    and name HG# ) (resi 4    and name HD# )  2.50  0.70  2.20
assi (resi 4    and name HE  ) (resi 4    and name HD# )  3.00  1.20  1.50
assi (resi 5    and name HN  ) (resi 5    and name HA  )  2.50  0.70  0.20
assi (resi 5    and name HN  ) (resi 5    and name HB# )  2.50  0.70  1.20
assi (resi 5    and name HN  ) (resi 5    and name HD# )  3.00  1.20  2.50
assi (resi 5    and name HA  ) (resi 5    and name HB# )  2.50  0.70  1.20
assi (resi 5    and name HA  ) (resi 5    and name HD# )  2.50  0.70  2.20
assi (resi 5    and name HA  ) (resi 5    and name HE# )  4.00  2.20  3.00
assi (resi 5    and name HZ  ) (resi 5    and name HB# )  4.00  2.20  2.00
assi (resi 5    and name HB# ) (resi 5    and name HD# )  2.50  0.70  3.20
assi (resi 5    and name HB# ) (resi 5    and name HE# )  3.00  1.20  3.50
assi (resi 6    and name HN  ) (resi 6    and name HA  )  2.50  0.70  0.20
assi (resi 6    and name HN  ) (resi 6    and name HB# )  4.00  2.20  2.00
assi (resi 6    and name HN  ) (resi 6    and name HD1 )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 6    and name HE3 )  4.00  2.20  1.00
assi (resi 6    and name HA  ) (resi 6    and name HB# )  2.50  0.70  1.20
assi (resi 6    and name HA  ) (resi 6    and name HD1 )  4.00  2.20  1.00
assi (resi 6    and name HA  ) (resi 6    and name HE1 )  5.00  3.20  1.00
assi (resi 6    and name HA  ) (resi 6    and name HE3 )  3.00  1.20  0.50
assi (resi 6    and name HB# ) (resi 6    and name HD1 )  2.50  0.70  1.20
assi (resi 6    and name HB# ) (resi 6    and name HE3 )  3.00  1.20  1.50
assi (resi 6    and name HB# ) (resi 6    and name HE1 )  5.00  3.20  2.00
assi (resi 7    and name HN  ) (resi 7    and name HA# )  2.50  0.70  1.20
assi (resi 8    and name HN  ) (resi 8    and name HA  )  2.50  0.70  0.20
assi (resi 8    and name HN  ) (resi 8    and name HB# )  2.50  0.70  1.20
assi (resi 8    and name HN  ) (resi 8    and name HG# )  3.00  1.20  1.50
assi (resi 8    and name HA  ) (resi 8    and name HB# )  2.50  0.70  1.20
assi (resi 8    and name HA  ) (resi 8    and name HG# )  3.00  1.20  1.50
assi (resi 9    and name HN  ) (resi 9    and name HA  )  3.00  1.20  0.50
assi (resi 9    and name HN  ) (resi 9    and name HB# )  3.00  1.20  1.50
assi (resi 9    and name HA  ) (resi 9    and name HB# )  2.50  0.70  1.20
assi (resi 10   and name HN  ) (resi 10   and name HA  )  3.00  1.20  0.50
assi (resi 10   and name HN  ) (resi 10   and name HB# )  3.00  1.20  1.50
assi (resi 10   and name HA  ) (resi 10   and name HB# )  2.50  0.70  1.20
assi (resi 11   and name HN  ) (resi 11   and name HB# )  4.00  2.20  2.00
assi (resi 11   and name HA  ) (resi 11   and name HB# )  3.00  1.20  1.50
assi (resi 11   and name HA  ) (resi 11   and name HG# )  3.00  1.20  1.50
assi (resi 12   and name HA  ) (resi 12   and name HB  )  3.00  1.20  0.50
assi (resi 13   and name HA  ) (resi 13   and name HB# )  2.50  0.70  1.20
assi (resi 14   and name HN  ) (resi 14   and name HB# )  4.00  2.20  2.00
assi (resi 14   and name HA  ) (resi 14   and name HB# )  2.50  0.70  1.20
assi (resi 15   and name HA  ) (resi 15   and name HB# )  2.50  0.70  1.20
assi (resi 16   and name HN  ) (resi 16   and name HA  )  3.00  1.20  0.50
assi (resi 16   and name HN  ) (resi 16   and name HB1 )  3.00  1.20  0.50
assi (resi 16   and name HN  ) (resi 16   and name HB2 )  2.50  0.70  0.20
assi (resi 16   and name HA  ) (resi 16   and name HB1 )  2.50  0.70  0.20
assi (resi 16   and name HA  ) (resi 16   and name HB2 )  3.00  1.20  0.50
assi (resi 17   and name HA  ) (resi 17   and name HB1 )  2.50  0.20  0.00
assi (resi 17   and name HA  ) (resi 17   and name HB2 )  3.00  1.20  0.50
assi (resi 17   and name HA  ) (resi 17   and name HG# )  3.00  1.20  1.50
assi (resi 17   and name HB1 ) (resi 17   and name HG# )  3.00  1.20  1.50
assi (resi 17   and name HB2 ) (resi 17   and name HG# )  2.50  0.70  1.20
assi (resi 17   and name HB1 ) (resi 17   and name HD# )  3.00  1.20  2.50
assi (resi 17   and name HB2 ) (resi 17   and name HD# )  3.00  1.20  2.50
assi (resi 17   and name HG# ) (resi 17   and name HD# )  2.50  0.70  2.20
assi (resi 18   and name HN  ) (resi 18   and name HA  )  3.00  1.20  0.50
assi (resi 18   and name HN  ) (resi 18   and name HB1 )  4.00  2.20  1.00
assi (resi 18   and name HN  ) (resi 18   and name HB2 )  3.00  1.20  0.50
assi (resi 18   and name HN  ) (resi 18   and name HD2 )  4.00  2.20  1.00
assi (resi 18   and name HA  ) (resi 18   and name HB1 )  3.00  1.20  0.50
assi (resi 18   and name HA  ) (resi 18   and name HB2 )  2.50  0.70  0.20
assi (resi 18   and name HA  ) (resi 18   and name HD2 )  4.00  2.20  1.00
assi (resi 18   and name HB1 ) (resi 18   and name HD2 )  4.00  2.20  1.00
assi (resi 18   and name HB2 ) (resi 18   and name HD2 )  3.00  1.20  0.50
assi (resi 19   and name HN  ) (resi 19   and name HA  )  3.00  1.20  0.50
assi (resi 19   and name HN  ) (resi 19   and name HB# )  3.00  1.20  1.50
assi (resi 19   and name HN  ) (resi 19   and name HG  )  3.00  1.20  0.50
assi (resi 19   and name HN  ) (resi 19   and name HD#)  4.00  2.20   2.50
assi (resi 19   and name HA  ) (resi 19   and name HB# )  3.00  1.20  1.50
assi (resi 19   and name HA  ) (resi 19   and name HG  )  3.00  1.20  0.50
assi (resi 19   and name HA  ) (resi 19   and name HD#)  3.00  1.20   2.50
assi (resi 19   and name HB# ) (resi 19   and name HD#)  2.50  0.70  2.70
assi (resi 19   and name HB# ) (resi 19   and name HG  )  3.00  1.20  1.50
assi (resi 20   and name HN  ) (resi 20   and name HA  )  3.00  1.20  0.50
assi (resi 20   and name HN  ) (resi 20   and name HB# )  2.50  0.70  1.70
assi (resi 21   and name HN  ) (resi 21   and name HA  )  3.00  1.20  0.50
assi (resi 21   and name HN  ) (resi 21   and name HB1 )  3.00  1.20  0.50
assi (resi 21   and name HN  ) (resi 21   and name HB2 )  4.00  2.20  1.50
assi (resi 21   and name HA  ) (resi 21   and name HB1 )  3.00  1.20  0.50
assi (resi 21   and name HA  ) (resi 21   and name HB2 )  2.50  0.70  0.20
assi (resi 22   and name HN  ) (resi 22   and name HB# )  4.00  2.20  2.00
assi (resi 22   and name HA  ) (resi 22   and name HB# )  2.50  0.70  1.20
assi (resi 22   and name HA  ) (resi 22   and name HG# )  3.00  1.20  1.50
assi (resi 22   and name HG# ) (resi 22   and name HZ# )  4.00  2.20  3.50
assi (resi 22   and name HZ# ) (resi 22   and name HD# )  3.00  1.20  3.00
assi (resi 23   and name HN  ) (resi 23   and name HA  )  3.00  1.20  0.50
assi (resi 23   and name HN  ) (resi 23   and name HB# )  2.50  0.70  1.20
assi (resi 23   and name HA  ) (resi 23   and name HB# )  2.50  0.70  1.20
assi (resi 24   and name HN  ) (resi 24   and name HB# )  3.00  1.20  1.50
assi (resi 24   and name HN  ) (resi 24   and name HG# )  4.00  2.20  2.00
assi (resi 24   and name HA  ) (resi 24   and name HB# )  2.50  0.70  1.20
assi (resi 24   and name HA  ) (resi 24   and name HG# )  2.50  0.70  1.20
assi (resi 24   and name HB# ) (resi 24   and name HG# )  2.50  0.70  2.20
assi (resi 24   and name HZ# ) (resi 24   and name HD# )  4.00  2.20  3.50
assi (resi 25   and name HN  ) (resi 25   and name HA  )  3.00  1.20  0.50
assi (resi 25   and name HN  ) (resi 25   and name HB1 )  4.00  2.20  1.00
assi (resi 25   and name HN  ) (resi 25   and name HB2 )  4.00  2.20  1.00
assi (resi 25   and name HA  ) (resi 25   and name HB1 )  3.00  1.20  0.50
assi (resi 25   and name HA  ) (resi 25   and name HB2 )  2.50  0.70  0.20
assi (resi 25   and name HA  ) (resi 25   and name HD1 )  4.00  2.20  1.00
assi (resi 25   and name HA  ) (resi 25   and name HE1 )  5.00  3.20  1.00
assi (resi 25   and name HA  ) (resi 25   and name HE3 )  3.00  1.20  0.50
assi (resi 25   and name HB1 ) (resi 25   and name HD1 )  3.00  1.20  0.50
assi (resi 25   and name HB2 ) (resi 25   and name HD1 )  3.00  1.20  0.50
assi (resi 25   and name HB1 ) (resi 25   and name HE3 )  4.00  2.20  1.00
assi (resi 25   and name HB2 ) (resi 25   and name HE3 )  4.00  2.20  1.00
assi (resi 25   and name HB2 ) (resi 25   and name HE1 )  5.00  3.20  1.00
assi (resi 26   and name HA  ) (resi 26   and name HG# )  4.00  2.20  2.00
assi (resi 26   and name HA  ) (resi 26   and name HB# )  2.50  0.70  1.20
assi (resi 26   and name HG# ) (resi 26   and name HD# )  2.50  0.70  2.20
assi (resi 26   and name HD# ) (resi 26   and name HB# )  3.00  1.20  2.50
assi (resi 27   and name HN  ) (resi 27   and name HG# )  2.50  0.70  1.20
assi (resi 27   and name HN  ) (resi 27   and name HB# )  2.50  0.70  1.20
assi (resi 27   and name HN  ) (resi 27   and name HD# )  4.00  2.20  2.00
assi (resi 27   and name HG# ) (resi 27   and name HE  )  2.50  0.70  1.20
assi (resi 27   and name HE  ) (resi 27   and name HB# )  4.00  2.20  2.00
assi (resi 27   and name HE  ) (resi 27   and name HD# )  2.50  0.70  1.20
assi (resi 28   and name HN  ) (resi 28   and name HA  )  3.00  1.20  0.50
assi (resi 28   and name HN  ) (resi 28   and name HB# )  4.00  2.20  2.00
assi (resi 28   and name HA  ) (resi 28   and name HB# )  2.50  0.70  1.20
assi (resi 28   and name HB# ) (resi 28   and name HD2#)  3.00  1.20  2.50
assi (resi 29   and name HA  ) (resi 29   and name HB  )  2.50  0.70  0.20
assi (resi 29   and name HA  ) (resi 29   and name HG1#)  4.00  2.20  2.00
assi (resi 29   and name HA  ) (resi 29   and name HG2#)  2.50  0.70  1.70
assi (resi 29   and name HA  ) (resi 29   and name HD1#)  4.00  2.20  2.50
assi (resi 29   and name HB  ) (resi 29   and name HD1#)  2.50  0.70  1.70
assi (resi 29   and name HG1#) (resi 29   and name HG2#)  3.00  1.20  2.00
assi (resi 29   and name HN  ) (resi 29   and name HG1#)  4.00  2.20  2.00
assi (resi 29   and name HN  ) (resi 29   and name HG2#)  4.00  2.20  2.50
assi (resi 30   and name HN  ) (resi 30   and name HA  )  4.00  2.20  1.00
assi (resi 30   and name HN  ) (resi 30   and name HB# )  2.50  0.70  1.20
assi (resi 30   and name HA  ) (resi 30   and name HB# )  3.00  1.20  1.50
assi (resi 31   and name HN  ) (resi 31   and name HA  )  3.00  1.20  0.50
assi (resi 31   and name HN  ) (resi 31   and name HB  )  4.00  2.20  1.00
assi (resi 31   and name HN  ) (resi 31   and name HG# )  2.50  0.70  1.70
assi (resi 31   and name HA  ) (resi 31   and name HB  )  2.50  0.70  0.20
assi (resi 31   and name HA  ) (resi 31   and name HG# )  2.50  0.70  1.70
assi (resi 32   and name HN  ) (resi 32   and name HA  )  3.00  1.20  0.50
assi (resi 32   and name HN  ) (resi 32   and name HB1 )  3.00  1.20  0.50
assi (resi 32   and name HN  ) (resi 32   and name HB2 )  3.00  1.20  0.50
assi (resi 32   and name HA  ) (resi 32   and name HB1 )  3.00  1.20  0.50
assi (resi 32   and name HA  ) (resi 32   and name HB2 )  3.00  1.20  0.50
assi (resi 32   and name HA  ) (resi 32   and name HE3 )  3.00  1.20  0.50
assi (resi 32   and name HB1 ) (resi 32   and name HE3 )  4.00  2.20  1.00
assi (resi 32   and name HB2 ) (resi 32   and name HE3 )  3.00  1.20  0.50
assi (resi 32   and name HB1 ) (resi 32   and name HD1 )  3.00  1.20  0.50
assi (resi 32   and name HB2 ) (resi 32   and name HD1 )  4.00  2.20  1.00
assi (resi 33   and name HN  ) (resi 33   and name HA  )  3.00  1.20  0.50
assi (resi 33   and name HN  ) (resi 33   and name HB# )  2.50  0.70  1.20
assi (resi 33   and name HA  ) (resi 33   and name HB# )  2.50  0.70  1.20
assi (resi 34   and name HN  ) (resi 34   and name HA# )  3.00  1.20  1.50
assi (resi 35   and name HN  ) (resi 35   and name HA  )  3.00  1.20  0.50
assi (resi 35   and name HA  ) (resi 35   and name HB1 )  2.50  0.70  0.20
assi (resi 35   and name HA  ) (resi 35   and name HB2 )  2.50  0.70  0.20
assi (resi 36   and name HN  ) (resi 36   and name HA  )  3.00  1.20  0.50
assi (resi 36   and name HN  ) (resi 36   and name HB  )  3.00  1.20  0.50
assi (resi 36   and name HN  ) (resi 36   and name HG# )  3.00  1.20  2.00
assi (resi 36   and name HA  ) (resi 36   and name HB  )  3.00  1.20  0.50
assi (resi 36   and name HA  ) (resi 36   and name HG# )  3.00  1.20  2.00

!H-bonds
 assign (resid  7 and name   o  )   (resid   30 and name    n ) 2.70 0.40 0.60
 assign (resid  7 and name   o  )   (resid   30 and name   hn ) 2.00 0.20 0.30

assign (resid  28 and name   o  )   (resid  9 and name    n ) 2.70 0.40 0.60
assign (resid  28 and name   o  )   (resid  9 and name   hn ) 2.00 0.20 0.30
 assign (resid  20 and name   o  )   (resid  31 and name    n ) 2.70 0.40 0.60
 assign (resid  20 and name   o  )   (resid  31 and name   hn ) 2.00 0.20 0.30
assign (resid  31 and name   o  )   (resid   20 and name    n ) 2.70 0.40 0.60
 assign (resid  31 and name   o  )   (resid   20 and name   hn ) 2.00 0.20 0.30


!main chain dihed
assign (resid 1 and name c) (resid 2 and name n)
       (resid 2 and name ca) (resid 2 and name c)  1  -65.0 25.0 2
assign (resid 7 and name c) (resid 8 and name n)
       (resid 8 and name ca) (resid 8 and name c)  1  -65.0 25.0 2
assign (resid 34 and name c) (resid 35 and name n)
      (resid 35 and name ca) (resid 35 and name c)  1 -65.0 25.0 2

assign (resid  8 and name c) (resid  9 and name n)
       (resid  9 and name ca) (resid 9 and name c)  1 -120.0 40.0 2 
assign (resid  9 and name c) (resid 10 and name n)
       (resid  10 and name ca) (resid 10 and name c)  1 -120.0 40.0 2 
assign (resid  15 and name c) (resid 16 and name n)
       (resid  16 and name ca) (resid 16 and name c)  1 -120.0 40.0 2 
assign (resid  18 and name c) (resid 19 and name n)
       (resid  19 and name ca) (resid 19 and name c)  1 -120.0 40.0 2 
assign (resid  19 and name c) (resid 20 and name n)
       (resid  20 and name ca) (resid 20 and name c)  1 -120.0 40.0 2 
assign (resid  20 and name c) (resid 21 and name n)
       (resid  21 and name ca) (resid 21 and name c)  1 -120.0 40.0 2 
assign (resid  22 and name c) (resid 23 and name n)
       (resid  23 and name ca) (resid 23 and name c)  1 -120.0 40.0 2 
assign (resid  23 and name c) (resid 24 and name n)
       (resid  24 and name ca) (resid 24 and name c)  1 -120.0 40.0 2 
assign (resid  29 and name c) (resid 30 and name n)
       (resid  30 and name ca) (resid 30 and name c)  1 -120.0 40.0 2 
assign (resid  30 and name c) (resid 31 and name n)
       (resid  31 and name ca) (resid 31 and name c)  1 -120.0 40.0 2 

!side chain dihed

assign (resid 16 and name n) (resid 16 and name ca)
       (resid 16 and name cb) (resid 16 and name sg)  1  -60.0 60.0 2
assign (resid 17 and name n) (resid 17 and name ca)
       (resid 17 and name cb) (resid 17 and name cg)  1  -60.0 60.0 2
assign (resid 18 and name n) (resid 18 and name ca)
       (resid 18 and name cb) (resid 18 and name cg)  1  180.0 60.0 2
assign (resid 21 and name n) (resid 21 and name ca)
       (resid 21 and name cb) (resid 21 and name sg)  1   180.0 60.0 2
assign (resid 25 and name n) (resid 25 and name ca)
       (resid 25 and name cb) (resid 25 and name cg)  1   180.0 60.0 2
assign (resid 32 and name n) (resid 32 and name ca)
       (resid 32 and name cb) (resid 32 and name cg)  1   180.0 60.0 2
assign (resid 35 and name n) (resid 35 and name ca)
       (resid 35 and name cb) (resid 35 and name og)  1   60.0 60.0 2
                                              
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1          1HT       ASP   1 -10.767   5.915  -6.191
    2   2H    ASP   1          2HT       ASP   1 -11.519   7.315  -5.589
    3   3H    ASP   1          3HT       ASP   1 -12.456   6.066  -6.260
    4    HA   ASP   1           HA       ASP   1 -12.284   6.277  -3.687
    5   1HB   ASP   1          1HB       ASP   1 -13.094   4.437  -5.472
    6   2HB   ASP   1          2HB       ASP   1 -11.755   3.540  -4.755
    7    HD2  ASP   1           HD2      ASP   1 -13.495   3.062  -1.828
    8    H    CYS   2           H        CYS   2 -10.204   7.197  -2.993
    9    HA   CYS   2           HA       CYS   2  -7.640   6.125  -3.303
   10   1HB   CYS   2          1HB       CYS   2  -9.055   7.920  -1.555
   11   2HB   CYS   2          2HB       CYS   2  -7.955   6.938  -0.591
   12    H    VAL   3           H        VAL   3  -6.395   4.953  -1.469
   13    HA   VAL   3           HA       VAL   3  -8.076   2.816  -0.222
   14    HB   VAL   3           HB       VAL   3  -5.411   2.386  -1.588
   15   1HG1  VAL   3          1HG1      VAL   3  -6.247   0.027  -1.628
   16   2HG1  VAL   3          2HG1      VAL   3  -7.668   0.552  -0.726
   17   3HG1  VAL   3          3HG1      VAL   3  -6.068   0.660   0.008
   18   1HG2  VAL   3          1HG2      VAL   3  -8.219   2.329  -2.698
   19   2HG2  VAL   3          2HG2      VAL   3  -6.937   1.351  -3.411
   20   3HG2  VAL   3          3HG2      VAL   3  -6.790   3.108  -3.375
   21    H    ARG   4           H        ARG   4  -7.211   2.031   1.771
   22    HA   ARG   4           HA       ARG   4  -5.130   3.794   2.976
   23   1HB   ARG   4          1HB       ARG   4  -6.124   3.032   5.085
   24   2HB   ARG   4          2HB       ARG   4  -7.393   3.596   3.996
   25   1HG   ARG   4          1HG       ARG   4  -8.393   1.597   4.319
   26   2HG   ARG   4          2HG       ARG   4  -7.098   0.900   3.345
   27   1HD   ARG   4          1HD       ARG   4  -5.795   0.361   5.289
   28   2HD   ARG   4          2HD       ARG   4  -6.845   1.333   6.338
   29    HE   ARG   4           HE       ARG   4  -8.565  -0.485   5.099
   30   1HH1  ARG   4          1HH2      ARG   4  -5.556  -0.806   6.739
   31   2HH1  ARG   4          2HH2      ARG   4  -6.023  -2.231   7.603
   32   1HH2  ARG   4          1HH1      ARG   4  -9.253  -2.260   6.343
   33   2HH2  ARG   4          2HH1      ARG   4  -8.116  -3.055   7.379
   34    H    PHE   5           H        PHE   5  -4.215   2.260   5.006
   35    HA   PHE   5           HA       PHE   5  -2.068   0.810   4.115
   36   1HB   PHE   5          1HB       PHE   5  -3.270   1.394   6.500
   37   2HB   PHE   5          2HB       PHE   5  -3.464  -0.359   6.446
   38    HD1  PHE   5           1HD      PHE   5  -0.997  -1.022   4.822
   39    HD2  PHE   5           2HD      PHE   5  -1.581   1.598   8.173
   40    HE1  PHE   5           1HE      PHE   5   1.382  -1.301   5.452
   41    HE2  PHE   5           2HE      PHE   5   0.801   1.318   8.805
   42    HZ   PHE   5           HZ       PHE   5   2.283  -0.130   7.442
   43    H    TRP   6           H        TRP   6  -1.741  -1.151   3.126
   44    HA   TRP   6           HA       TRP   6  -2.201  -3.269   2.191
   45   1HB   TRP   6          1HB       TRP   6  -4.227  -3.355   4.446
   46   2HB   TRP   6          2HB       TRP   6  -3.414  -4.728   3.690
   47    HD1  TRP   6           HD       TRP   6  -3.165  -2.629   6.634
   48    HE1  TRP   6           1HE      TRP   6  -0.800  -2.710   7.662
   49    HE3  TRP   6           3HE      TRP   6  -0.605  -4.796   2.788
   50    HZ2  TRP   6           2HZ      TRP   6   1.830  -3.580   6.946
   51    HZ3  TRP   6           3HZ      TRP   6   1.825  -5.239   2.983
   52    HH2  TRP   6           HH       TRP   6   3.044  -4.636   5.055
   53    H    GLY   7           H        GLY   7  -3.137  -2.130   0.339
   54   1HA   GLY   7          1HA       GLY   7  -5.957  -2.904  -0.050
   55   2HA   GLY   7          2HA       GLY   7  -5.544  -1.209  -0.320
   56    H    LYS   8           H        LYS   8  -6.003  -3.984  -1.939
   57    HA   LYS   8           HA       LYS   8  -4.022  -4.644  -3.667
   58   1HB   LYS   8          1HB       LYS   8  -6.892  -4.469  -3.702
   59   2HB   LYS   8          2HB       LYS   8  -6.271  -4.067  -5.303
   60   1HG   LYS   8          1HG       LYS   8  -5.002  -6.395  -3.975
   61   2HG   LYS   8          2HG       LYS   8  -6.678  -6.614  -4.478
   62   1HD   LYS   8          1HD       LYS   8  -4.968  -5.276  -6.477
   63   2HD   LYS   8          2HD       LYS   8  -4.519  -6.946  -6.131
   64   1HE   LYS   8          1HE       LYS   8  -7.277  -7.107  -6.305
   65   2HE   LYS   8          2HE       LYS   8  -6.871  -5.918  -7.560
   66   1HZ   LYS   8          1HZ       LYS   8  -5.677  -8.614  -7.199
   67   2HZ   LYS   8          2HZ       LYS   8  -5.071  -7.445  -8.274
   68   3HZ   LYS   8          3HZ       LYS   8  -6.627  -8.087  -8.502
   69    H    CYS   9           H        CYS   9  -2.541  -3.438  -4.729
   70    HA   CYS   9           HA       CYS   9  -3.393  -0.951  -6.142
   71   1HB   CYS   9          1HB       CYS   9  -2.512  -0.145  -4.089
   72   2HB   CYS   9          2HB       CYS   9  -1.255  -1.381  -4.050
   73    H    SER  10           H        SER  10  -1.936  -0.431  -7.934
   74    HA   SER  10           HA       SER  10  -0.381  -2.803  -8.883
   75   1HB   SER  10          1HB       SER  10  -2.231  -0.878 -10.035
   76   2HB   SER  10          2HB       SER  10  -0.726  -0.932 -10.951
   77    HG   SER  10           HG       SER  10  -2.469  -2.522 -11.462
   78    H    GLN  11           H        GLN  11  -0.233   0.778  -9.131
   79    HA   GLN  11           HA       GLN  11   2.482   0.939  -8.165
   80   1HB   GLN  11          1HB       GLN  11   2.879  -0.265 -10.271
   81   2HB   GLN  11          2HB       GLN  11   2.003   0.980 -11.165
   82   1HG   GLN  11          1HG       GLN  11   3.816   2.320 -11.228
   83   2HG   GLN  11          2HG       GLN  11   4.086   2.140  -9.493
   84   1HE2  GLN  11          1HE2      GLN  11   5.251   1.211 -12.603
   85   2HE2  GLN  11          2HE2      GLN  11   6.376   0.051 -12.079
   86    H    THR  12           H        THR  12   0.041   2.368 -10.334
   87    HA   THR  12           HA       THR  12   0.495   4.999  -9.003
   88    HB   THR  12           HB       THR  12   0.109   4.939 -11.959
   89    HG1  THR  12           1HG      THR  12   1.895   3.928 -12.315
   90   1HG2  THR  12          1HG2      THR  12   1.148   6.712  -9.868
   91   2HG2  THR  12          2HG2      THR  12   0.483   7.110 -11.451
   92   3HG2  THR  12          3HG2      THR  12   2.177   6.646 -11.298
   93    H    SER  13           H        SER  13  -1.397   6.217  -8.819
   94    HA   SER  13           HA       SER  13  -3.704   6.724  -8.953
   95   1HB   SER  13          1HB       SER  13  -3.001   6.303 -11.421
   96   2HB   SER  13          2HB       SER  13  -3.807   4.748 -11.230
   97    HG   SER  13           HG       SER  13  -4.891   7.118 -11.714
   98    H    ASP  14           H        ASP  14  -3.157   4.981  -6.979
   99    HA   ASP  14           HA       ASP  14  -5.374   2.980  -7.169
  100   1HB   ASP  14          1HB       ASP  14  -2.480   2.612  -6.389
  101   2HB   ASP  14          2HB       ASP  14  -3.722   1.500  -5.809
  102    HD2  ASP  14           HD2      ASP  14  -2.963   1.516  -9.699
  103    H    CYS  15           H        CYS  15  -3.082   3.233  -4.520
  104    HA   CYS  15           HA       CYS  15  -5.248   3.891  -2.651
  105   1HB   CYS  15          1HB       CYS  15  -3.490   3.532  -0.991
  106   2HB   CYS  15          2HB       CYS  15  -3.364   2.278  -2.223
  107    H    CYS  16           H        CYS  16  -4.314   5.651  -0.865
  108    HA   CYS  16           HA       CYS  16  -4.319   8.183  -2.323
  109   1HB   CYS  16          1HB       CYS  16  -4.743   7.154   0.355
  110   2HB   CYS  16          2HB       CYS  16  -3.758   8.614   0.384
  111    HA   PRO  17           HA       PRO  17  -0.065   9.139  -2.678
  112   1HB   PRO  17          1HB       PRO  17  -0.299  11.728  -1.436
  113   2HB   PRO  17          2HB       PRO  17  -0.231  11.352  -3.166
  114   1HG   PRO  17          1HG       PRO  17  -2.501  12.220  -1.624
  115   2HG   PRO  17          2HG       PRO  17  -2.425  11.883  -3.355
  116   1HD   PRO  17          1HD       PRO  17  -3.746  10.332  -1.337
  117   2HD   PRO  17          2HD       PRO  17  -3.578   9.938  -3.066
  118    H    HIS  18           H        HIS  18  -1.626   9.121   0.384
  119    HA   HIS  18           HA       HIS  18   0.778   9.770   1.929
  120   1HB   HIS  18          1HB       HIS  18  -2.040   9.582   2.263
  121   2HB   HIS  18          2HB       HIS  18  -1.275   8.562   3.481
  122    HD1  HIS  18           1HD      HIS  18  -0.190  12.155   2.132
  123    HD2  HIS  18           2HD      HIS  18  -1.010   9.930   5.567
  124    HE1  HIS  18           1HE      HIS  18  -0.259  12.217   6.358
  125    HE2  HIS  18           2HE      HIS  18  -0.257  12.216   6.358
  126    H    LEU  19           H        LEU  19   0.267   7.225   0.081
  127    HA   LEU  19           HA       LEU  19   1.654   5.354   1.946
  128   1HB   LEU  19          1HB       LEU  19  -0.743   4.630   0.226
  129   2HB   LEU  19          2HB       LEU  19   0.072   3.589   1.392
  130    HG   LEU  19           HG       LEU  19  -0.512   5.634   3.026
  131   1HD1  LEU  19          1HD1      LEU  19  -1.812   7.141   1.941
  132   2HD1  LEU  19          2HD1      LEU  19  -2.140   6.026   0.615
  133   3HD1  LEU  19          3HD1      LEU  19  -3.096   5.941   2.095
  134   1HD2  LEU  19          1HD2      LEU  19  -1.963   4.145   3.982
  135   2HD2  LEU  19          2HD2      LEU  19  -1.335   3.055   2.745
  136   3HD2  LEU  19          3HD2      LEU  19  -2.858   3.903   2.481
  137    H    ALA  20           H        ALA  20   2.196   3.273   0.485
  138    HA   ALA  20           HA       ALA  20   3.051   4.195  -2.236
  139   1HB   ALA  20          1HB       ALA  20   4.999   4.334  -0.872
  140   2HB   ALA  20          2HB       ALA  20   4.589   2.856  -0.001
  141   3HB   ALA  20          3HB       ALA  20   5.139   2.769  -1.674
  142    H    CYS  21           H        CYS  21   3.673   2.166  -3.593
  143    HA   CYS  21           HA       CYS  21   1.603   0.084  -3.081
  144   1HB   CYS  21          1HB       CYS  21   1.992   1.551  -5.239
  145   2HB   CYS  21          2HB       CYS  21   3.242   0.358  -5.584
  146    H    LYS  22           H        LYS  22   3.486  -0.507  -1.344
  147    HA   LYS  22           HA       LYS  22   4.940  -2.796  -2.580
  148   1HB   LYS  22          1HB       LYS  22   7.022  -2.114  -1.587
  149   2HB   LYS  22          2HB       LYS  22   6.373  -0.691  -2.399
  150   1HG   LYS  22          1HG       LYS  22   5.351  -0.025  -0.166
  151   2HG   LYS  22          2HG       LYS  22   6.318  -1.309   0.562
  152   1HD   LYS  22          1HD       LYS  22   8.071   0.094   0.636
  153   2HD   LYS  22          2HD       LYS  22   8.061   0.151  -1.126
  154   1HE   LYS  22          1HE       LYS  22   6.818   2.132  -1.189
  155   2HE   LYS  22          2HE       LYS  22   6.127   1.864   0.424
  156   1HZ   LYS  22          1HZ       LYS  22   8.933   2.564  -0.248
  157   2HZ   LYS  22          2HZ       LYS  22   8.455   2.016   1.288
  158   3HZ   LYS  22          3HZ       LYS  22   7.835   3.474   0.673
  159    H    SER  23           H        SER  23   3.999  -4.479  -1.476
  160    HA   SER  23           HA       SER  23   3.314  -4.114   1.400
  161   1HB   SER  23          1HB       SER  23   2.495  -6.638   0.407
  162   2HB   SER  23          2HB       SER  23   1.485  -5.228   0.703
  163    HG   SER  23           HG       SER  23   2.029  -4.520  -1.414
  164    H    LYS  24           H        LYS  24   3.717  -6.108   2.798
  165    HA   LYS  24           HA       LYS  24   6.411  -7.281   2.179
  166   1HB   LYS  24          1HB       LYS  24   6.743  -7.259   4.586
  167   2HB   LYS  24          2HB       LYS  24   6.155  -5.666   4.110
  168   1HG   LYS  24          1HG       LYS  24   4.361  -5.895   5.446
  169   2HG   LYS  24          2HG       LYS  24   3.903  -7.379   4.610
  170   1HD   LYS  24          1HD       LYS  24   6.033  -8.217   6.141
  171   2HD   LYS  24          2HD       LYS  24   5.261  -7.030   7.195
  172   1HE   LYS  24          1HE       LYS  24   3.466  -8.970   5.796
  173   2HE   LYS  24          2HE       LYS  24   4.434  -9.578   7.154
  174   1HZ   LYS  24          1HZ       LYS  24   2.410  -7.445   7.125
  175   2HZ   LYS  24          2HZ       LYS  24   3.688  -7.351   8.240
  176   3HZ   LYS  24          3HZ       LYS  24   2.641  -8.689   8.255
  177    H    TRP  25           H        TRP  25   3.651  -8.281   1.462
  178    HA   TRP  25           HA       TRP  25   4.036 -11.058   2.041
  179   1HB   TRP  25          1HB       TRP  25   3.432 -10.754   4.257
  180   2HB   TRP  25          2HB       TRP  25   2.383  -9.393   3.901
  181    HD1  TRP  25           HD       TRP  25  -0.001 -10.046   4.499
  182    HE1  TRP  25           1HE      TRP  25  -1.494 -12.117   4.152
  183    HE3  TRP  25           3HE      TRP  25   3.358 -13.202   2.295
  184    HZ2  TRP  25           2HZ      TRP  25  -1.294 -14.761   3.085
  185    HZ3  TRP  25           3HZ      TRP  25   2.679 -15.489   1.626
  186    HH2  TRP  25           HH       TRP  25   0.360 -16.272   2.016
  187    HA   PRO  26           HA       PRO  26  -0.394 -10.405   0.104
  188   1HB   PRO  26          1HB       PRO  26  -0.623  -7.583  -0.422
  189   2HB   PRO  26          2HB       PRO  26  -1.647  -8.579   0.617
  190   1HG   PRO  26          1HG       PRO  26   0.349  -6.633   1.394
  191   2HG   PRO  26          2HG       PRO  26  -0.773  -7.529   2.422
  192   1HD   PRO  26          1HD       PRO  26   2.037  -7.906   2.255
  193   2HD   PRO  26          2HD       PRO  26   0.868  -8.951   3.094
  194    H    ARG  27           H        ARG  27   2.285  -8.217  -0.585
  195    HA   ARG  27           HA       ARG  27   3.445  -7.745  -2.590
  196   1HB   ARG  27          1HB       ARG  27   2.396 -10.506  -3.280
  197   2HB   ARG  27          2HB       ARG  27   3.879  -9.755  -3.870
  198   1HG   ARG  27          1HG       ARG  27   3.597  -9.911  -0.918
  199   2HG   ARG  27          2HG       ARG  27   3.822 -11.446  -1.757
  200   1HD   ARG  27          1HD       ARG  27   6.040 -10.680  -1.296
  201   2HD   ARG  27          2HD       ARG  27   5.772 -10.246  -2.996
  202    HE   ARG  27           HE       ARG  27   4.844  -8.161  -1.208
  203   1HH1  ARG  27          1HH2      ARG  27   7.854  -9.615  -1.754
  204   2HH1  ARG  27          2HH2      ARG  27   8.674  -8.143  -2.154
  205   1HH2  ARG  27          1HH1      ARG  27   5.785  -6.223  -2.140
  206   2HH2  ARG  27          2HH1      ARG  27   7.500  -6.221  -2.373
  207    H    ASN  28           H        ASN  28   1.038  -6.494  -2.652
  208    HA   ASN  28           HA       ASN  28   0.473  -6.009  -5.357
  209   1HB   ASN  28          1HB       ASN  28  -0.531  -8.534  -4.387
  210   2HB   ASN  28          2HB       ASN  28  -1.892  -7.491  -4.800
  211   1HD2  ASN  28          1HD2      ASN  28  -2.522  -7.897  -6.919
  212   2HD2  ASN  28          2HD2      ASN  28  -1.463  -8.173  -8.216
  213    H    ILE  29           H        ILE  29   0.512  -4.651  -2.768
  214    HA   ILE  29           HA       ILE  29  -2.175  -3.377  -2.922
  215    HB   ILE  29           HB       ILE  29  -2.576  -3.658  -0.598
  216   1HG1  ILE  29          1HG1      ILE  29  -0.747  -5.079   0.687
  217   2HG1  ILE  29          2HG1      ILE  29   0.331  -4.493  -0.577
  218   1HG2  ILE  29          1HG2      ILE  29  -2.570  -6.129  -0.383
  219   2HG2  ILE  29          2HG2      ILE  29  -1.394  -6.249  -1.691
  220   3HG2  ILE  29          3HG2      ILE  29  -3.022  -5.661  -2.024
  221   1HD1  ILE  29          1HD1      ILE  29  -0.175  -3.142   1.735
  222   2HD1  ILE  29          2HD1      ILE  29   0.338  -2.367   0.237
  223   3HD1  ILE  29          3HD1      ILE  29  -1.371  -2.419   0.663
  224    H    CYS  30           H        CYS  30  -2.083  -1.587  -1.022
  225    HA   CYS  30           HA       CYS  30   0.442  -0.050  -1.452
  226   1HB   CYS  30          1HB       CYS  30  -2.216   0.442  -2.160
  227   2HB   CYS  30          2HB       CYS  30  -1.960   1.439  -0.726
  228    H    VAL  31           H        VAL  31   1.569   0.160   0.461
  229    HA   VAL  31           HA       VAL  31   0.052  -0.092   3.029
  230    HB   VAL  31           HB       VAL  31   2.417  -0.482   3.906
  231   1HG1  VAL  31          1HG1      VAL  31   2.359  -2.761   3.306
  232   2HG1  VAL  31          2HG1      VAL  31   1.672  -2.417   1.719
  233   3HG1  VAL  31          3HG1      VAL  31   0.681  -2.244   3.166
  234   1HG2  VAL  31          1HG2      VAL  31   3.452   0.665   1.874
  235   2HG2  VAL  31          2HG2      VAL  31   3.063  -0.796   0.966
  236   3HG2  VAL  31          3HG2      VAL  31   4.175  -0.877   2.331
  237    H    TRP  32           H        TRP  32   0.021   1.566   4.471
  238    HA   TRP  32           HA       TRP  32   0.445   4.246   3.858
  239   1HB   TRP  32          1HB       TRP  32  -0.679   3.998   5.831
  240   2HB   TRP  32          2HB       TRP  32   0.158   2.497   6.207
  241    HD1  TRP  32           HD       TRP  32   2.114   2.589   7.877
  242    HE1  TRP  32           1HE      TRP  32   3.227   4.465   9.249
  243    HE3  TRP  32           3HE      TRP  32  -0.042   6.670   5.695
  244    HZ2  TRP  32           2HZ      TRP  32   3.205   7.325   9.402
  245    HZ3  TRP  32           3HZ      TRP  32   0.520   8.956   6.470
  246    HH2  TRP  32           HH       TRP  32   2.140   9.288   8.320
  247    H    ASP  33           H        ASP  33   2.228   5.673   4.055
  248    HA   ASP  33           HA       ASP  33   4.894   4.434   3.924
  249   1HB   ASP  33          1HB       ASP  33   3.644   7.135   3.514
  250   2HB   ASP  33          2HB       ASP  33   5.394   7.029   3.722
  251    HD2  ASP  33           HD2      ASP  33   5.148   4.706   0.820
  252    H    GLY  34           H        GLY  34   5.701   3.841   5.929
  253   1HA   GLY  34          1HA       GLY  34   5.579   5.904   8.095
  254   2HA   GLY  34          2HA       GLY  34   5.508   4.173   8.429
  255    H    SER  35           H        SER  35   7.622   6.399   6.585
  256    HA   SER  35           HA       SER  35   9.952   4.724   7.057
  257   1HB   SER  35          1HB       SER  35  11.089   6.607   5.898
  258   2HB   SER  35          2HB       SER  35   9.632   6.109   5.044
  259    HG   SER  35           HG       SER  35   8.606   7.892   5.731
  260    H    VAL  36           H        VAL  36   9.838   4.669   9.458
  261    HA   VAL  36           HA       VAL  36   9.892   6.853  11.213
  262    HB   VAL  36           HB       VAL  36  11.122   5.248  12.688
  263   1HG1  VAL  36          1HG1      VAL  36   8.744   4.970  12.575
  264   2HG1  VAL  36          2HG1      VAL  36   9.437   3.357  12.411
  265   3HG1  VAL  36          3HG1      VAL  36   8.845   4.210  10.986
  266   1HG2  VAL  36          1HG2      VAL  36  12.414   3.622  11.808
  267   2HG2  VAL  36          2HG2      VAL  36  12.108   4.325  10.217
  268   3HG2  VAL  36          3HG2      VAL  36  11.077   3.029  10.824
  Start of MODEL    2
    1   1H    ASP   1          1HT       ASP   1 -11.569   7.780  -5.230
    2   2H    ASP   1          2HT       ASP   1 -12.567   6.620  -5.969
    3   3H    ASP   1          3HT       ASP   1 -10.881   6.399  -5.936
    4    HA   ASP   1           HA       ASP   1 -12.363   6.640  -3.397
    5   1HB   ASP   1          1HB       ASP   1 -12.188   4.301  -5.312
    6   2HB   ASP   1          2HB       ASP   1 -12.564   4.093  -3.600
    7    HD2  ASP   1           HD2      ASP   1 -15.379   6.410  -4.582
    8    H    CYS   2           H        CYS   2 -10.205   7.490  -2.776
    9    HA   CYS   2           HA       CYS   2  -7.703   6.304  -3.152
   10   1HB   CYS   2          1HB       CYS   2  -9.028   8.110  -1.315
   11   2HB   CYS   2          2HB       CYS   2  -7.842   7.126  -0.458
   12    H    VAL   3           H        VAL   3  -6.446   4.985  -1.540
   13    HA   VAL   3           HA       VAL   3  -8.160   2.922  -0.200
   14    HB   VAL   3           HB       VAL   3  -5.482   2.426  -1.513
   15   1HG1  VAL   3          1HG1      VAL   3  -6.491   0.781   0.123
   16   2HG1  VAL   3          2HG1      VAL   3  -6.196   0.125  -1.486
   17   3HG1  VAL   3          3HG1      VAL   3  -7.830   0.582  -1.007
   18   1HG2  VAL   3          1HG2      VAL   3  -8.074   2.978  -2.764
   19   2HG2  VAL   3          2HG2      VAL   3  -7.435   1.397  -3.210
   20   3HG2  VAL   3          3HG2      VAL   3  -6.481   2.848  -3.507
   21    H    ARG   4           H        ARG   4  -7.232   2.042   1.749
   22    HA   ARG   4           HA       ARG   4  -5.202   3.833   3.009
   23   1HB   ARG   4          1HB       ARG   4  -6.206   3.064   5.086
   24   2HB   ARG   4          2HB       ARG   4  -7.502   3.517   3.977
   25   1HG   ARG   4          1HG       ARG   4  -6.855   0.787   3.476
   26   2HG   ARG   4          2HG       ARG   4  -7.046   0.979   5.218
   27   1HD   ARG   4          1HD       ARG   4  -9.275   1.697   5.028
   28   2HD   ARG   4          2HD       ARG   4  -9.068   2.193   3.336
   29    HE   ARG   4           HE       ARG   4  -8.885  -0.232   2.758
   30   1HH1  ARG   4          1HH2      ARG   4 -11.352   0.740   4.640
   31   2HH1  ARG   4          2HH2      ARG   4 -11.638  -0.768   5.439
   32   1HH2  ARG   4          1HH1      ARG   4  -8.700  -2.224   4.308
   33   2HH2  ARG   4          2HH1      ARG   4 -10.135  -2.447   5.250
   34    H    PHE   5           H        PHE   5  -4.320   2.229   5.029
   35    HA   PHE   5           HA       PHE   5  -2.128   0.846   4.089
   36   1HB   PHE   5          1HB       PHE   5  -3.308   1.392   6.492
   37   2HB   PHE   5          2HB       PHE   5  -3.468  -0.363   6.428
   38    HD1  PHE   5           1HD      PHE   5  -1.564   1.714   8.065
   39    HD2  PHE   5           2HD      PHE   5  -1.046  -1.071   4.839
   40    HE1  PHE   5           1HE      PHE   5   0.834   1.476   8.655
   41    HE2  PHE   5           2HE      PHE   5   1.349  -1.309   5.427
   42    HZ   PHE   5           HZ       PHE   5   2.289  -0.036   7.334
   43    H    TRP   6           H        TRP   6  -1.762  -1.122   3.131
   44    HA   TRP   6           HA       TRP   6  -2.204  -3.217   2.146
   45   1HB   TRP   6          1HB       TRP   6  -4.224  -3.407   4.401
   46   2HB   TRP   6          2HB       TRP   6  -3.343  -4.731   3.635
   47    HD1  TRP   6           HD       TRP   6  -3.181  -2.480   6.530
   48    HE1  TRP   6           1HE      TRP   6  -0.843  -2.543   7.618
   49    HE3  TRP   6           3HE      TRP   6  -0.566  -4.914   2.879
   50    HZ2  TRP   6           2HZ      TRP   6   1.781  -3.498   7.026
   51    HZ3  TRP   6           3HZ      TRP   6   1.848  -5.389   3.169
   52    HH2  TRP   6           HH       TRP   6   3.027  -4.685   5.235
   53    H    GLY   7           H        GLY   7  -3.132  -2.210   0.299
   54   1HA   GLY   7          1HA       GLY   7  -5.961  -2.922  -0.100
   55   2HA   GLY   7          2HA       GLY   7  -5.522  -1.234  -0.390
   56    H    LYS   8           H        LYS   8  -5.970  -4.056  -1.961
   57    HA   LYS   8           HA       LYS   8  -3.957  -4.754  -3.638
   58   1HB   LYS   8          1HB       LYS   8  -6.783  -4.724  -3.673
   59   2HB   LYS   8          2HB       LYS   8  -6.271  -4.124  -5.251
   60   1HG   LYS   8          1HG       LYS   8  -5.298  -6.113  -5.847
   61   2HG   LYS   8          2HG       LYS   8  -4.815  -6.493  -4.193
   62   1HD   LYS   8          1HD       LYS   8  -7.616  -6.486  -4.129
   63   2HD   LYS   8          2HD       LYS   8  -7.203  -7.305  -5.637
   64   1HE   LYS   8          1HE       LYS   8  -5.382  -8.408  -3.885
   65   2HE   LYS   8          2HE       LYS   8  -6.822  -8.214  -2.863
   66   1HZ   LYS   8          1HZ       LYS   8  -8.034  -9.073  -4.979
   67   2HZ   LYS   8          2HZ       LYS   8  -7.290 -10.184  -3.930
   68   3HZ   LYS   8          3HZ       LYS   8  -6.517  -9.724  -5.372
   69    H    CYS   9           H        CYS   9  -2.483  -3.623  -4.786
   70    HA   CYS   9           HA       CYS   9  -3.291  -1.252  -6.369
   71   1HB   CYS   9          1HB       CYS   9  -2.742  -0.229  -4.287
   72   2HB   CYS   9          2HB       CYS   9  -1.393  -1.330  -4.016
   73    H    SER  10           H        SER  10  -1.546  -0.664  -7.919
   74    HA   SER  10           HA       SER  10   0.449  -2.872  -8.328
   75   1HB   SER  10          1HB       SER  10  -1.059  -3.272 -10.042
   76   2HB   SER  10          2HB       SER  10  -1.587  -1.594 -10.104
   77    HG   SER  10           HG       SER  10   0.059  -2.729 -11.728
   78    H    GLN  11           H        GLN  11   0.014  -0.045 -10.368
   79    HA   GLN  11           HA       GLN  11   2.262   1.403  -9.101
   80   1HB   GLN  11          1HB       GLN  11   3.680   1.212 -11.051
   81   2HB   GLN  11          2HB       GLN  11   3.165  -0.420 -10.626
   82   1HG   GLN  11          1HG       GLN  11   1.464  -0.405 -12.344
   83   2HG   GLN  11          2HG       GLN  11   1.756   1.302 -12.682
   84   1HE2  GLN  11          1HE2      GLN  11   2.608   1.190 -14.803
   85   2HE2  GLN  11          2HE2      GLN  11   3.995   0.302 -15.217
   86    H    THR  12           H        THR  12  -0.592   1.953  -9.672
   87    HA   THR  12           HA       THR  12  -0.210   4.378 -11.386
   88    HB   THR  12           HB       THR  12  -1.260   2.476 -12.626
   89    HG1  THR  12           1HG      THR  12  -2.064   4.227 -13.482
   90   1HG2  THR  12          1HG2      THR  12  -2.926   1.236 -11.743
   91   2HG2  THR  12          2HG2      THR  12  -3.815   2.667 -11.224
   92   3HG2  THR  12          3HG2      THR  12  -2.533   2.008 -10.207
   93    H    SER  13           H        SER  13  -0.051   4.899  -8.812
   94    HA   SER  13           HA       SER  13  -1.048   6.189  -7.100
   95   1HB   SER  13          1HB       SER  13  -2.600   6.546  -9.521
   96   2HB   SER  13          2HB       SER  13  -3.645   6.635  -8.107
   97    HG   SER  13           HG       SER  13  -2.064   8.127  -7.238
   98    H    ASP  14           H        ASP  14  -4.121   4.838  -8.227
   99    HA   ASP  14           HA       ASP  14  -5.628   3.366  -7.164
  100   1HB   ASP  14          1HB       ASP  14  -2.866   2.371  -6.594
  101   2HB   ASP  14          2HB       ASP  14  -4.196   1.636  -5.696
  102    HD2  ASP  14           HD2      ASP  14  -3.686   0.458  -9.306
  103    H    CYS  15           H        CYS  15  -3.383   3.041  -4.496
  104    HA   CYS  15           HA       CYS  15  -5.303   3.910  -2.543
  105   1HB   CYS  15          1HB       CYS  15  -3.296   3.740  -1.048
  106   2HB   CYS  15          2HB       CYS  15  -3.505   2.328  -2.082
  107    H    CYS  16           H        CYS  16  -4.332   5.692  -0.856
  108    HA   CYS  16           HA       CYS  16  -4.365   8.212  -2.346
  109   1HB   CYS  16          1HB       CYS  16  -4.825   7.226   0.313
  110   2HB   CYS  16          2HB       CYS  16  -3.715   8.594   0.376
  111    HA   PRO  17           HA       PRO  17  -0.102   9.106  -2.779
  112   1HB   PRO  17          1HB       PRO  17  -0.286  11.729  -1.600
  113   2HB   PRO  17          2HB       PRO  17  -0.247  11.309  -3.319
  114   1HG   PRO  17          1HG       PRO  17  -2.484  12.249  -1.775
  115   2HG   PRO  17          2HG       PRO  17  -2.437  11.858  -3.496
  116   1HD   PRO  17          1HD       PRO  17  -3.740  10.384  -1.403
  117   2HD   PRO  17          2HD       PRO  17  -3.622   9.945  -3.126
  118    H    HIS  18           H        HIS  18  -1.637   9.166   0.293
  119    HA   HIS  18           HA       HIS  18   0.809   9.774   1.805
  120   1HB   HIS  18          1HB       HIS  18  -2.015   9.739   2.163
  121   2HB   HIS  18          2HB       HIS  18  -1.291   8.723   3.407
  122    HD1  HIS  18           1HD      HIS  18  -0.119  12.244   1.943
  123    HD2  HIS  18           2HD      HIS  18  -0.874  10.107   5.448
  124    HE1  HIS  18           1HE      HIS  18  -0.032  12.388   6.167
  125    HE2  HIS  18           2HE      HIS  18  -0.033  12.388   6.167
  126    H    LEU  19           H        LEU  19   0.241   7.235   0.020
  127    HA   LEU  19           HA       LEU  19   1.407   5.313   1.987
  128   1HB   LEU  19          1HB       LEU  19  -0.956   4.867   0.131
  129   2HB   LEU  19          2HB       LEU  19  -0.187   3.604   1.095
  130    HG   LEU  19           HG       LEU  19  -0.683   5.672   2.914
  131   1HD1  LEU  19          1HD1      LEU  19  -3.322   5.164   1.641
  132   2HD1  LEU  19          2HD1      LEU  19  -2.745   6.593   2.499
  133   3HD1  LEU  19          3HD1      LEU  19  -2.265   6.316   0.824
  134   1HD2  LEU  19          1HD2      LEU  19  -2.640   3.431   2.536
  135   2HD2  LEU  19          2HD2      LEU  19  -1.905   4.031   4.022
  136   3HD2  LEU  19          3HD2      LEU  19  -0.963   3.038   2.910
  137    H    ALA  20           H        ALA  20   2.103   3.250   0.646
  138    HA   ALA  20           HA       ALA  20   3.174   4.123  -2.019
  139   1HB   ALA  20          1HB       ALA  20   4.628   3.885   0.256
  140   2HB   ALA  20          2HB       ALA  20   4.714   2.222  -0.323
  141   3HB   ALA  20          3HB       ALA  20   5.297   3.539  -1.340
  142    H    CYS  21           H        CYS  21   3.492   2.315  -3.530
  143    HA   CYS  21           HA       CYS  21   1.597   0.081  -3.003
  144   1HB   CYS  21          1HB       CYS  21   1.720   1.674  -5.078
  145   2HB   CYS  21          2HB       CYS  21   3.056   0.637  -5.578
  146    H    LYS  22           H        LYS  22   3.187  -0.950  -1.495
  147    HA   LYS  22           HA       LYS  22   4.837  -2.921  -2.913
  148   1HB   LYS  22          1HB       LYS  22   6.874  -2.158  -1.527
  149   2HB   LYS  22          2HB       LYS  22   6.418  -1.128  -2.884
  150   1HG   LYS  22          1HG       LYS  22   5.684   0.569  -1.530
  151   2HG   LYS  22          2HG       LYS  22   5.111  -0.537  -0.280
  152   1HD   LYS  22          1HD       LYS  22   7.001   0.564   0.669
  153   2HD   LYS  22          2HD       LYS  22   7.573  -1.038   0.202
  154   1HE   LYS  22          1HE       LYS  22   9.242   0.461  -0.618
  155   2HE   LYS  22          2HE       LYS  22   8.253   0.086  -2.044
  156   1HZ   LYS  22          1HZ       LYS  22   7.600   2.338  -0.241
  157   2HZ   LYS  22          2HZ       LYS  22   7.050   2.061  -1.823
  158   3HZ   LYS  22          3HZ       LYS  22   8.658   2.533  -1.552
  159    H    SER  23           H        SER  23   3.601  -4.512  -1.807
  160    HA   SER  23           HA       SER  23   3.325  -4.337   1.127
  161   1HB   SER  23          1HB       SER  23   1.420  -5.403   0.588
  162   2HB   SER  23          2HB       SER  23   1.929  -5.430  -1.096
  163    HG   SER  23           HG       SER  23   2.669  -7.427  -0.856
  164    H    LYS  24           H        LYS  24   3.415  -6.839   1.990
  165    HA   LYS  24           HA       LYS  24   5.980  -8.125   1.200
  166   1HB   LYS  24          1HB       LYS  24   6.395  -8.143   3.804
  167   2HB   LYS  24          2HB       LYS  24   6.780  -6.687   2.889
  168   1HG   LYS  24          1HG       LYS  24   4.807  -5.581   3.593
  169   2HG   LYS  24          2HG       LYS  24   4.054  -7.085   4.127
  170   1HD   LYS  24          1HD       LYS  24   6.480  -6.871   5.564
  171   2HD   LYS  24          2HD       LYS  24   5.730  -5.276   5.626
  172   1HE   LYS  24          1HE       LYS  24   3.541  -6.789   6.103
  173   2HE   LYS  24          2HE       LYS  24   4.789  -7.847   6.795
  174   1HZ   LYS  24          1HZ       LYS  24   5.701  -5.790   7.881
  175   2HZ   LYS  24          2HZ       LYS  24   4.209  -6.325   8.490
  176   3HZ   LYS  24          3HZ       LYS  24   4.271  -4.997   7.436
  177    H    TRP  25           H        TRP  25   3.046  -8.735   1.101
  178    HA   TRP  25           HA       TRP  25   3.058 -11.479   1.777
  179   1HB   TRP  25          1HB       TRP  25   3.192 -11.025   4.059
  180   2HB   TRP  25          2HB       TRP  25   2.253  -9.544   3.928
  181    HD1  TRP  25           HD       TRP  25   0.384 -10.165   5.642
  182    HE1  TRP  25           1HE      TRP  25  -1.504 -11.920   5.650
  183    HE3  TRP  25           3HE      TRP  25   1.851 -13.056   1.696
  184    HZ2  TRP  25           2HZ      TRP  25  -2.291 -14.245   4.176
  185    HZ3  TRP  25           3HZ      TRP  25   0.515 -15.032   1.020
  186    HH2  TRP  25           HH       TRP  25  -1.552 -15.628   2.252
  187    HA   PRO  26           HA       PRO  26  -1.581  -9.979   1.202
  188   1HB   PRO  26          1HB       PRO  26  -1.374  -7.229   0.368
  189   2HB   PRO  26          2HB       PRO  26  -2.213  -7.877   1.783
  190   1HG   PRO  26          1HG       PRO  26   0.306  -6.434   1.677
  191   2HG   PRO  26          2HG       PRO  26  -0.635  -6.910   3.091
  192   1HD   PRO  26          1HD       PRO  26   1.837  -8.006   2.297
  193   2HD   PRO  26          2HD       PRO  26   0.728  -8.694   3.507
  194    H    ARG  27           H        ARG  27   1.281  -9.011  -0.484
  195    HA   ARG  27           HA       ARG  27   1.915  -9.216  -2.735
  196   1HB   ARG  27          1HB       ARG  27  -0.367 -11.075  -2.293
  197   2HB   ARG  27          2HB       ARG  27   0.089 -10.763  -3.968
  198   1HG   ARG  27          1HG       ARG  27   2.093 -11.531  -1.835
  199   2HG   ARG  27          2HG       ARG  27   1.289 -12.714  -2.866
  200   1HD   ARG  27          1HD       ARG  27   2.906 -10.366  -3.919
  201   2HD   ARG  27          2HD       ARG  27   3.518 -12.028  -3.779
  202    HE   ARG  27           HE       ARG  27   1.115 -11.324  -5.427
  203   1HH1  ARG  27          1HH2      ARG  27   2.307 -14.144  -4.521
  204   2HH1  ARG  27          2HH2      ARG  27   2.939 -14.658  -6.049
  205   1HH2  ARG  27          1HH1      ARG  27   2.657 -11.531  -7.520
  206   2HH2  ARG  27          2HH1      ARG  27   3.137 -13.180  -7.748
  207    H    ASN  28           H        ASN  28   1.718  -7.217  -3.668
  208    HA   ASN  28           HA       ASN  28   0.855  -5.633  -5.184
  209   1HB   ASN  28          1HB       ASN  28  -0.358  -8.089  -5.730
  210   2HB   ASN  28          2HB       ASN  28  -1.693  -6.940  -5.666
  211   1HD2  ASN  28          1HD2      ASN  28   1.184  -7.868  -7.463
  212   2HD2  ASN  28          2HD2      ASN  28   0.981  -6.757  -8.729
  213    H    ILE  29           H        ILE  29   0.579  -4.346  -3.088
  214    HA   ILE  29           HA       ILE  29  -2.164  -3.293  -3.000
  215    HB   ILE  29           HB       ILE  29  -2.535  -3.680  -0.675
  216   1HG1  ILE  29          1HG1      ILE  29  -0.695  -5.221   0.468
  217   2HG1  ILE  29          2HG1      ILE  29   0.350  -4.506  -0.758
  218   1HG2  ILE  29          1HG2      ILE  29  -1.447  -6.257  -1.866
  219   2HG2  ILE  29          2HG2      ILE  29  -3.034  -5.580  -2.231
  220   3HG2  ILE  29          3HG2      ILE  29  -2.662  -6.118  -0.595
  221   1HD1  ILE  29          1HD1      ILE  29  -0.249  -3.361   1.687
  222   2HD1  ILE  29          2HD1      ILE  29   0.390  -2.500   0.287
  223   3HD1  ILE  29          3HD1      ILE  29  -1.344  -2.533   0.588
  224    H    CYS  30           H        CYS  30  -2.070  -1.581  -0.991
  225    HA   CYS  30           HA       CYS  30   0.479  -0.070  -1.376
  226   1HB   CYS  30          1HB       CYS  30  -1.835   0.646  -2.369
  227   2HB   CYS  30          2HB       CYS  30  -2.191   1.140  -0.713
  228    H    VAL  31           H        VAL  31   1.627  -0.023   0.524
  229    HA   VAL  31           HA       VAL  31   0.132  -0.198   3.105
  230    HB   VAL  31           HB       VAL  31   2.393  -0.773   3.989
  231   1HG1  VAL  31          1HG1      VAL  31   1.796  -2.421   1.530
  232   2HG1  VAL  31          2HG1      VAL  31   0.763  -2.459   2.959
  233   3HG1  VAL  31          3HG1      VAL  31   2.448  -2.966   3.075
  234   1HG2  VAL  31          1HG2      VAL  31   4.226  -0.245   2.803
  235   2HG2  VAL  31          2HG2      VAL  31   3.195   0.428   1.542
  236   3HG2  VAL  31          3HG2      VAL  31   3.686  -1.264   1.471
  237    H    TRP  32           H        TRP  32   0.019   1.580   4.384
  238    HA   TRP  32           HA       TRP  32   0.582   4.190   3.728
  239   1HB   TRP  32          1HB       TRP  32  -0.543   4.036   5.712
  240   2HB   TRP  32          2HB       TRP  32   0.271   2.535   6.144
  241    HD1  TRP  32           HD       TRP  32   2.345   2.663   7.694
  242    HE1  TRP  32           1HE      TRP  32   3.492   4.571   8.987
  243    HE3  TRP  32           3HE      TRP  32   0.010   6.684   5.579
  244    HZ2  TRP  32           2HZ      TRP  32   3.429   7.431   9.110
  245    HZ3  TRP  32           3HZ      TRP  32   0.571   8.986   6.303
  246    HH2  TRP  32           HH       TRP  32   2.276   9.365   8.066
  247    H    ASP  33           H        ASP  33   2.408   5.564   3.835
  248    HA   ASP  33           HA       ASP  33   5.002   4.461   3.418
  249   1HB   ASP  33          1HB       ASP  33   4.044   6.750   2.816
  250   2HB   ASP  33          2HB       ASP  33   4.330   7.211   4.496
  251    HD2  ASP  33           HD2      ASP  33   7.623   6.304   2.486
  252    H    GLY  34           H        GLY  34   6.550   3.785   4.871
  253   1HA   GLY  34          1HA       GLY  34   6.187   4.554   7.739
  254   2HA   GLY  34          2HA       GLY  34   6.576   2.894   7.282
  255    H    SER  35           H        SER  35   7.868   5.979   6.033
  256    HA   SER  35           HA       SER  35  10.603   4.906   6.343
  257   1HB   SER  35          1HB       SER  35  11.162   6.959   5.060
  258   2HB   SER  35          2HB       SER  35   9.860   6.057   4.286
  259    HG   SER  35           HG       SER  35   8.512   7.623   4.739
  260    H    VAL  36           H        VAL  36  10.071   5.017   8.845
  261    HA   VAL  36           HA       VAL  36  10.667   7.765   9.884
  262    HB   VAL  36           HB       VAL  36   9.369   5.299  11.081
  263   1HG1  VAL  36          1HG1      VAL  36   8.975   7.465  12.800
  264   2HG1  VAL  36          2HG1      VAL  36  10.678   7.567  12.356
  265   3HG1  VAL  36          3HG1      VAL  36  10.044   6.092  13.083
  266   1HG2  VAL  36          1HG2      VAL  36   7.474   7.038  11.323
  267   2HG2  VAL  36          2HG2      VAL  36   7.806   6.432   9.702
  268   3HG2  VAL  36          3HG2      VAL  36   8.401   8.019  10.190
  Start of MODEL    3
    1   1H    ASP   1          1HT       ASP   1 -11.154   7.567  -6.962
    2   2H    ASP   1          2HT       ASP   1  -9.771   6.670  -7.369
    3   3H    ASP   1          3HT       ASP   1  -9.669   7.919  -6.224
    4    HA   ASP   1           HA       ASP   1 -11.297   6.607  -4.824
    5   1HB   ASP   1          1HB       ASP   1 -10.420   4.474  -6.795
    6   2HB   ASP   1          2HB       ASP   1 -11.590   4.294  -5.489
    7    HD2  ASP   1           HD2      ASP   1 -13.813   6.452  -7.348
    8    H    CYS   2           H        CYS   2  -9.552   7.228  -3.426
    9    HA   CYS   2           HA       CYS   2  -6.921   5.983  -3.623
   10   1HB   CYS   2          1HB       CYS   2  -6.545   7.886  -2.467
   11   2HB   CYS   2          2HB       CYS   2  -8.272   8.138  -2.273
   12    H    VAL   3           H        VAL   3  -6.089   4.901  -1.478
   13    HA   VAL   3           HA       VAL   3  -8.157   3.066  -0.342
   14    HB   VAL   3           HB       VAL   3  -5.439   2.246  -1.409
   15   1HG1  VAL   3          1HG1      VAL   3  -7.775   0.862  -0.153
   16   2HG1  VAL   3          2HG1      VAL   3  -6.050   0.549   0.042
   17   3HG1  VAL   3          3HG1      VAL   3  -6.887   0.005  -1.411
   18   1HG2  VAL   3          1HG2      VAL   3  -6.766   1.252  -3.300
   19   2HG2  VAL   3          2HG2      VAL   3  -6.790   3.014  -3.283
   20   3HG2  VAL   3          3HG2      VAL   3  -8.184   2.108  -2.697
   21    H    ARG   4           H        ARG   4  -7.088   1.799   1.554
   22    HA   ARG   4           HA       ARG   4  -5.278   3.674   3.034
   23   1HB   ARG   4          1HB       ARG   4  -6.389   2.400   5.030
   24   2HB   ARG   4          2HB       ARG   4  -7.334   3.611   4.169
   25   1HG   ARG   4          1HG       ARG   4  -8.586   1.479   4.554
   26   2HG   ARG   4          2HG       ARG   4  -8.431   1.887   2.846
   27   1HD   ARG   4          1HD       ARG   4  -6.617   0.298   2.564
   28   2HD   ARG   4          2HD       ARG   4  -6.568  -0.017   4.310
   29    HE   ARG   4           HE       ARG   4  -8.813  -0.790   2.499
   30   1HH1  ARG   4          1HH2      ARG   4  -7.008  -2.723   4.031
   31   2HH1  ARG   4          2HH2      ARG   4  -8.040  -3.164   5.350
   32   1HH2  ARG   4          1HH1      ARG   4 -10.241  -0.529   4.856
   33   2HH2  ARG   4          2HH1      ARG   4  -9.872  -1.922   5.816
   34    H    PHE   5           H        PHE   5  -4.239   2.286   4.968
   35    HA   PHE   5           HA       PHE   5  -2.103   0.819   4.120
   36   1HB   PHE   5          1HB       PHE   5  -3.250   1.472   6.494
   37   2HB   PHE   5          2HB       PHE   5  -3.482  -0.278   6.505
   38    HD1  PHE   5           1HD      PHE   5  -1.564   1.575   8.224
   39    HD2  PHE   5           2HD      PHE   5  -1.018  -0.933   4.781
   40    HE1  PHE   5           1HE      PHE   5   0.822   1.267   8.826
   41    HE2  PHE   5           2HE      PHE   5   1.367  -1.239   5.380
   42    HZ   PHE   5           HZ       PHE   5   2.287  -0.140   7.403
   43    H    TRP   6           H        TRP   6  -1.781  -1.098   3.093
   44    HA   TRP   6           HA       TRP   6  -2.178  -3.249   2.219
   45   1HB   TRP   6          1HB       TRP   6  -4.128  -3.380   4.539
   46   2HB   TRP   6          2HB       TRP   6  -3.307  -4.737   3.763
   47    HD1  TRP   6           HD       TRP   6  -2.970  -2.451   6.608
   48    HE1  TRP   6           1HE      TRP   6  -0.582  -2.525   7.578
   49    HE3  TRP   6           3HE      TRP   6  -0.560  -4.951   2.861
   50    HZ2  TRP   6           2HZ      TRP   6   2.001  -3.515   6.869
   51    HZ3  TRP   6           3HZ      TRP   6   1.861  -5.448   3.037
   52    HH2  TRP   6           HH       TRP   6   3.144  -4.733   5.035
   53    H    GLY   7           H        GLY   7  -3.205  -2.061   0.423
   54   1HA   GLY   7          1HA       GLY   7  -5.997  -2.974   0.066
   55   2HA   GLY   7          2HA       GLY   7  -5.649  -1.267  -0.216
   56    H    LYS   8           H        LYS   8  -6.089  -4.007  -1.875
   57    HA   LYS   8           HA       LYS   8  -4.077  -4.632  -3.592
   58   1HB   LYS   8          1HB       LYS   8  -5.805  -5.003  -5.266
   59   2HB   LYS   8          2HB       LYS   8  -6.479  -5.360  -3.677
   60   1HG   LYS   8          1HG       LYS   8  -7.429  -3.047  -3.609
   61   2HG   LYS   8          2HG       LYS   8  -6.849  -2.798  -5.256
   62   1HD   LYS   8          1HD       LYS   8  -8.176  -4.859  -5.920
   63   2HD   LYS   8          2HD       LYS   8  -8.911  -4.801  -4.317
   64   1HE   LYS   8          1HE       LYS   8 -10.264  -3.061  -4.891
   65   2HE   LYS   8          2HE       LYS   8  -8.938  -2.201  -5.697
   66   1HZ   LYS   8          1HZ       LYS   8 -10.156  -2.828  -7.509
   67   2HZ   LYS   8          2HZ       LYS   8 -10.751  -4.239  -6.773
   68   3HZ   LYS   8          3HZ       LYS   8  -9.158  -4.190  -7.365
   69    H    CYS   9           H        CYS   9  -2.626  -3.438  -4.730
   70    HA   CYS   9           HA       CYS   9  -3.522  -0.907  -6.037
   71   1HB   CYS   9          1HB       CYS   9  -2.617  -0.136  -3.988
   72   2HB   CYS   9          2HB       CYS   9  -1.347  -1.357  -3.988
   73    H    SER  10           H        SER  10  -3.035  -1.272  -8.169
   74    HA   SER  10           HA       SER  10  -0.284  -1.931  -8.938
   75   1HB   SER  10          1HB       SER  10  -0.651  -4.089  -9.690
   76   2HB   SER  10          2HB       SER  10  -1.783  -4.054  -8.343
   77    HG   SER  10           HG       SER  10  -2.669  -4.799 -10.382
   78    H    GLN  11           H        GLN  11  -2.255   0.236  -9.371
   79    HA   GLN  11           HA       GLN  11  -2.290   0.167 -12.365
   80   1HB   GLN  11          1HB       GLN  11  -4.580   1.293 -12.102
   81   2HB   GLN  11          2HB       GLN  11  -4.509  -0.418 -11.674
   82   1HG   GLN  11          1HG       GLN  11  -4.452   0.063  -9.340
   83   2HG   GLN  11          2HG       GLN  11  -4.114   1.770  -9.627
   84   1HE2  GLN  11          1HE2      GLN  11  -6.506  -0.012 -11.538
   85   2HE2  GLN  11          2HE2      GLN  11  -7.864   0.796 -10.916
   86    H    THR  12           H        THR  12  -0.259   1.505 -11.242
   87    HA   THR  12           HA       THR  12   0.735   3.639 -11.028
   88    HB   THR  12           HB       THR  12  -1.445   5.092 -12.298
   89    HG1  THR  12           1HG      THR  12  -1.997   3.732 -13.796
   90   1HG2  THR  12          1HG2      THR  12   1.115   4.230 -13.616
   91   2HG2  THR  12          2HG2      THR  12   1.154   5.391 -12.289
   92   3HG2  THR  12          3HG2      THR  12   0.251   5.762 -13.759
   93    H    SER  13           H        SER  13   0.369   3.730  -8.696
   94    HA   SER  13           HA       SER  13  -0.481   4.721  -6.727
   95   1HB   SER  13          1HB       SER  13   0.108   6.786  -7.673
   96   2HB   SER  13          2HB       SER  13  -1.060   6.628  -8.982
   97    HG   SER  13           HG       SER  13  -2.509   7.516  -7.749
   98    H    ASP  14           H        ASP  14  -2.064   3.072  -6.271
   99    HA   ASP  14           HA       ASP  14  -4.830   3.570  -7.288
  100   1HB   ASP  14          1HB       ASP  14  -3.830   1.343  -7.620
  101   2HB   ASP  14          2HB       ASP  14  -3.530   1.210  -5.887
  102    HD2  ASP  14           HD2      ASP  14  -7.066   1.005  -5.344
  103    H    CYS  15           H        CYS  15  -2.880   3.333  -4.350
  104    HA   CYS  15           HA       CYS  15  -5.215   3.679  -2.580
  105   1HB   CYS  15          1HB       CYS  15  -3.484   3.488  -0.836
  106   2HB   CYS  15          2HB       CYS  15  -3.295   2.209  -2.035
  107    H    CYS  16           H        CYS  16  -4.152   5.369  -0.652
  108    HA   CYS  16           HA       CYS  16  -4.628   7.995  -1.838
  109   1HB   CYS  16          1HB       CYS  16  -4.488   6.690   0.750
  110   2HB   CYS  16          2HB       CYS  16  -3.672   8.254   0.779
  111    HA   PRO  17           HA       PRO  17  -0.521   9.345  -2.675
  112   1HB   PRO  17          1HB       PRO  17  -0.849  11.865  -1.321
  113   2HB   PRO  17          2HB       PRO  17  -0.949  11.544  -3.059
  114   1HG   PRO  17          1HG       PRO  17  -3.093  12.170  -1.255
  115   2HG   PRO  17          2HG       PRO  17  -3.193  11.844  -2.987
  116   1HD   PRO  17          1HD       PRO  17  -4.080  10.160  -0.825
  117   2HD   PRO  17          2HD       PRO  17  -4.153   9.822  -2.572
  118    H    HIS  18           H        HIS  18  -1.762   9.094   0.512
  119    HA   HIS  18           HA       HIS  18   0.774   9.811   1.829
  120   1HB   HIS  18          1HB       HIS  18  -1.997   9.646   2.437
  121   2HB   HIS  18          2HB       HIS  18  -1.134   8.597   3.563
  122    HD1  HIS  18           1HD      HIS  18  -0.205  12.230   2.191
  123    HD2  HIS  18           2HD      HIS  18  -0.588   9.892   5.626
  124    HE1  HIS  18           1HE      HIS  18   0.250  12.158   6.393
  125    HE2  HIS  18           2HE      HIS  18   0.251  12.156   6.392
  126    H    LEU  19           H        LEU  19   0.182   7.305   0.011
  127    HA   LEU  19           HA       LEU  19   1.594   5.389   1.814
  128   1HB   LEU  19          1HB       LEU  19  -0.923   4.907   0.189
  129   2HB   LEU  19          2HB       LEU  19   0.001   3.631   0.976
  130    HG   LEU  19           HG       LEU  19  -0.371   5.555   2.973
  131   1HD1  LEU  19          1HD1      LEU  19  -2.197   6.283   1.148
  132   2HD1  LEU  19          2HD1      LEU  19  -3.107   4.992   1.930
  133   3HD1  LEU  19          3HD1      LEU  19  -2.528   6.359   2.879
  134   1HD2  LEU  19          1HD2      LEU  19  -2.381   3.437   2.971
  135   2HD2  LEU  19          2HD2      LEU  19  -1.019   3.682   4.063
  136   3HD2  LEU  19          3HD2      LEU  19  -0.783   2.826   2.539
  137    H    ALA  20           H        ALA  20   2.257   3.401   0.390
  138    HA   ALA  20           HA       ALA  20   2.999   4.293  -2.370
  139   1HB   ALA  20          1HB       ALA  20   5.084   4.479  -1.455
  140   2HB   ALA  20          2HB       ALA  20   4.626   3.559  -0.020
  141   3HB   ALA  20          3HB       ALA  20   5.091   2.715  -1.496
  142    H    CYS  21           H        CYS  21   3.387   2.422  -3.832
  143    HA   CYS  21           HA       CYS  21   1.628   0.148  -3.133
  144   1HB   CYS  21          1HB       CYS  21   1.862   1.633  -5.335
  145   2HB   CYS  21          2HB       CYS  21   3.099   0.440  -5.727
  146    H    LYS  22           H        LYS  22   2.862  -1.146  -1.726
  147    HA   LYS  22           HA       LYS  22   4.711  -3.006  -2.870
  148   1HB   LYS  22          1HB       LYS  22   6.749  -2.114  -1.625
  149   2HB   LYS  22          2HB       LYS  22   6.225  -1.134  -2.994
  150   1HG   LYS  22          1HG       LYS  22   4.846   0.218  -1.312
  151   2HG   LYS  22          2HG       LYS  22   5.757  -0.614  -0.052
  152   1HD   LYS  22          1HD       LYS  22   7.082   0.884  -2.325
  153   2HD   LYS  22          2HD       LYS  22   6.722   1.623  -0.763
  154   1HE   LYS  22          1HE       LYS  22   8.294  -0.957  -0.957
  155   2HE   LYS  22          2HE       LYS  22   9.085   0.631  -1.026
  156   1HZ   LYS  22          1HZ       LYS  22   7.747   1.192   1.015
  157   2HZ   LYS  22          2HZ       LYS  22   8.992   0.060   1.247
  158   3HZ   LYS  22          3HZ       LYS  22   7.378  -0.460   1.140
  159    H    SER  23           H        SER  23   3.856  -4.664  -1.619
  160    HA   SER  23           HA       SER  23   3.534  -4.194   1.313
  161   1HB   SER  23          1HB       SER  23   2.489  -6.697   0.465
  162   2HB   SER  23          2HB       SER  23   1.591  -5.257   0.931
  163    HG   SER  23           HG       SER  23   2.537  -5.999  -1.637
  164    H    LYS  24           H        LYS  24   4.035  -6.183   2.682
  165    HA   LYS  24           HA       LYS  24   6.572  -7.468   1.731
  166   1HB   LYS  24          1HB       LYS  24   5.636  -7.108   4.587
  167   2HB   LYS  24          2HB       LYS  24   7.282  -7.366   4.007
  168   1HG   LYS  24          1HG       LYS  24   6.425  -5.065   2.667
  169   2HG   LYS  24          2HG       LYS  24   5.811  -4.872   4.310
  170   1HD   LYS  24          1HD       LYS  24   8.682  -5.547   3.590
  171   2HD   LYS  24          2HD       LYS  24   8.106  -3.952   4.076
  172   1HE   LYS  24          1HE       LYS  24   7.127  -5.613   6.087
  173   2HE   LYS  24          2HE       LYS  24   8.744  -6.267   5.750
  174   1HZ   LYS  24          1HZ       LYS  24   8.036  -3.445   6.341
  175   2HZ   LYS  24          2HZ       LYS  24   9.558  -3.928   5.764
  176   3HZ   LYS  24          3HZ       LYS  24   9.007  -4.473   7.276
  177    H    TRP  25           H        TRP  25   3.722  -8.325   1.355
  178    HA   TRP  25           HA       TRP  25   4.056 -11.128   1.861
  179   1HB   TRP  25          1HB       TRP  25   3.653 -10.834   4.115
  180   2HB   TRP  25          2HB       TRP  25   2.646  -9.415   3.869
  181    HD1  TRP  25           HD       TRP  25   0.390 -10.085   4.892
  182    HE1  TRP  25           1HE      TRP  25  -1.263 -12.033   4.546
  183    HE3  TRP  25           3HE      TRP  25   3.159 -13.058   1.795
  184    HZ2  TRP  25           2HZ      TRP  25  -1.394 -14.523   3.144
  185    HZ3  TRP  25           3HZ      TRP  25   2.248 -15.209   0.971
  186    HH2  TRP  25           HH       TRP  25  -0.024 -15.944   1.640
  187    HA   PRO  26           HA       PRO  26  -0.421 -10.238   0.185
  188   1HB   PRO  26          1HB       PRO  26  -0.639  -7.390  -0.145
  189   2HB   PRO  26          2HB       PRO  26  -1.609  -8.434   0.900
  190   1HG   PRO  26          1HG       PRO  26   0.438  -6.545   1.663
  191   2HG   PRO  26          2HG       PRO  26  -0.601  -7.518   2.709
  192   1HD   PRO  26          1HD       PRO  26   2.200  -7.864   2.268
  193   2HD   PRO  26          2HD       PRO  26   1.108  -8.928   3.185
  194    H    ARG  27           H        ARG  27   2.525  -8.593  -0.468
  195    HA   ARG  27           HA       ARG  27   3.422  -7.623  -2.466
  196   1HB   ARG  27          1HB       ARG  27   3.721  -9.633  -4.042
  197   2HB   ARG  27          2HB       ARG  27   4.298  -9.825  -2.388
  198   1HG   ARG  27          1HG       ARG  27   2.663 -11.337  -1.853
  199   2HG   ARG  27          2HG       ARG  27   1.471 -10.587  -2.909
  200   1HD   ARG  27          1HD       ARG  27   3.257 -11.481  -4.761
  201   2HD   ARG  27          2HD       ARG  27   3.421 -12.730  -3.510
  202    HE   ARG  27           HE       ARG  27   0.649 -11.964  -4.137
  203   1HH1  ARG  27          1HH1      ARG  27   2.108 -13.198  -6.552
  204   2HH1  ARG  27          2HH1      ARG  27   1.668 -14.864  -6.371
  205   1HH2  ARG  27          1HH2      ARG  27   0.596 -14.499  -3.093
  206   2HH2  ARG  27          2HH2      ARG  27   0.812 -15.601  -4.412
  207    H    ASN  28           H        ASN  28   0.847  -6.668  -2.466
  208    HA   ASN  28           HA       ASN  28   0.329  -6.235  -5.246
  209   1HB   ASN  28          1HB       ASN  28  -0.337  -8.599  -5.148
  210   2HB   ASN  28          2HB       ASN  28  -1.451  -8.243  -3.826
  211   1HD2  ASN  28          1HD2      ASN  28  -0.878  -6.284  -6.779
  212   2HD2  ASN  28          2HD2      ASN  28  -2.469  -6.406  -7.355
  213    H    ILE  29           H        ILE  29   0.347  -4.846  -2.555
  214    HA   ILE  29           HA       ILE  29  -2.271  -3.454  -2.905
  215    HB   ILE  29           HB       ILE  29  -2.706  -3.569  -0.531
  216   1HG1  ILE  29          1HG1      ILE  29  -1.097  -5.125   0.816
  217   2HG1  ILE  29          2HG1      ILE  29   0.057  -4.805  -0.476
  218   1HG2  ILE  29          1HG2      ILE  29  -1.872  -6.292  -1.591
  219   2HG2  ILE  29          2HG2      ILE  29  -3.408  -5.494  -1.931
  220   3HG2  ILE  29          3HG2      ILE  29  -3.020  -5.997  -0.285
  221   1HD1  ILE  29          1HD1      ILE  29   0.335  -2.604   0.130
  222   2HD1  ILE  29          2HD1      ILE  29  -1.324  -2.443   0.703
  223   3HD1  ILE  29          3HD1      ILE  29  -0.118  -3.245   1.710
  224    H    CYS  30           H        CYS  30  -2.118  -1.621  -0.954
  225    HA   CYS  30           HA       CYS  30   0.446  -0.159  -1.462
  226   1HB   CYS  30          1HB       CYS  30  -2.146   0.438  -2.205
  227   2HB   CYS  30          2HB       CYS  30  -1.977   1.337  -0.700
  228    H    VAL  31           H        VAL  31   1.614   0.094   0.424
  229    HA   VAL  31           HA       VAL  31   0.150  -0.174   3.016
  230    HB   VAL  31           HB       VAL  31   2.414  -0.665   3.892
  231   1HG1  VAL  31          1HG1      VAL  31   1.067  -2.506   3.004
  232   2HG1  VAL  31          2HG1      VAL  31   2.767  -2.768   2.615
  233   3HG1  VAL  31          3HG1      VAL  31   1.661  -2.180   1.376
  234   1HG2  VAL  31          1HG2      VAL  31   4.341  -0.569   2.547
  235   2HG2  VAL  31          2HG2      VAL  31   3.451   0.872   2.055
  236   3HG2  VAL  31          3HG2      VAL  31   3.410  -0.576   1.049
  237    H    TRP  32           H        TRP  32   0.575   1.330   4.710
  238    HA   TRP  32           HA       TRP  32   0.832   4.086   3.904
  239   1HB   TRP  32          1HB       TRP  32  -0.429   3.934   5.804
  240   2HB   TRP  32          2HB       TRP  32   0.328   2.413   6.270
  241    HD1  TRP  32           HD       TRP  32   2.220   2.484   8.026
  242    HE1  TRP  32           1HE      TRP  32   3.302   4.357   9.424
  243    HE3  TRP  32           3HE      TRP  32   0.243   6.575   5.694
  244    HZ2  TRP  32           2HZ      TRP  32   3.323   7.220   9.541
  245    HZ3  TRP  32           3HZ      TRP  32   0.809   8.859   6.468
  246    HH2  TRP  32           HH       TRP  32   2.345   9.185   8.387
  247    H    ASP  33           H        ASP  33   2.636   5.463   4.106
  248    HA   ASP  33           HA       ASP  33   5.277   4.242   4.116
  249   1HB   ASP  33          1HB       ASP  33   5.987   6.580   3.819
  250   2HB   ASP  33          2HB       ASP  33   4.590   6.242   2.798
  251    HD2  ASP  33           HD2      ASP  33   2.536   8.277   4.758
  252    H    GLY  34           H        GLY  34   5.653   3.298   6.184
  253   1HA   GLY  34          1HA       GLY  34   6.397   5.191   8.291
  254   2HA   GLY  34          2HA       GLY  34   5.035   4.154   8.714
  255    H    SER  35           H        SER  35   5.818   1.776   7.447
  256    HA   SER  35           HA       SER  35   7.956   0.892   9.287
  257   1HB   SER  35          1HB       SER  35   7.056  -1.240   8.885
  258   2HB   SER  35          2HB       SER  35   5.647  -0.202   8.683
  259    HG   SER  35           HG       SER  35   6.340  -1.867   6.968
  260    H    VAL  36           H        VAL  36   9.214   2.529   7.552
  261    HA   VAL  36           HA       VAL  36  10.623   0.642   5.702
  262    HB   VAL  36           HB       VAL  36   9.884   3.518   5.093
  263   1HG1  VAL  36          1HG1      VAL  36  10.702   1.258   3.250
  264   2HG1  VAL  36          2HG1      VAL  36  11.834   2.445   3.894
  265   3HG1  VAL  36          3HG1      VAL  36  10.522   2.963   2.835
  266   1HG2  VAL  36          1HG2      VAL  36   8.509   0.957   4.220
  267   2HG2  VAL  36          2HG2      VAL  36   8.100   2.581   3.669
  268   3HG2  VAL  36          3HG2      VAL  36   7.848   2.133   5.357
  Start of MODEL    4
    1   1H    ASP   1          1HT       ASP   1 -11.166   6.923  -7.057
    2   2H    ASP   1          2HT       ASP   1  -9.532   6.469  -6.976
    3   3H    ASP   1          3HT       ASP   1 -10.099   7.775  -6.050
    4    HA   ASP   1           HA       ASP   1 -11.416   6.327  -4.676
    5   1HB   ASP   1          1HB       ASP   1 -10.847   4.610  -7.013
    6   2HB   ASP   1          2HB       ASP   1 -10.794   3.772  -5.463
    7    HD2  ASP   1           HD2      ASP   1 -14.222   3.616  -5.791
    8    H    CYS   2           H        CYS   2  -9.617   7.238  -3.401
    9    HA   CYS   2           HA       CYS   2  -6.982   6.102  -3.371
   10   1HB   CYS   2          1HB       CYS   2  -6.969   8.128  -2.320
   11   2HB   CYS   2          2HB       CYS   2  -8.661   7.995  -1.858
   12    H    VAL   3           H        VAL   3  -6.143   4.987  -1.299
   13    HA   VAL   3           HA       VAL   3  -8.124   3.068  -0.166
   14    HB   VAL   3           HB       VAL   3  -5.458   2.351  -1.422
   15   1HG1  VAL   3          1HG1      VAL   3  -5.860   0.590   0.013
   16   2HG1  VAL   3          2HG1      VAL   3  -6.845   0.056  -1.351
   17   3HG1  VAL   3          3HG1      VAL   3  -7.604   0.863   0.022
   18   1HG2  VAL   3          1HG2      VAL   3  -8.224   2.573  -2.515
   19   2HG2  VAL   3          2HG2      VAL   3  -7.275   1.175  -3.018
   20   3HG2  VAL   3          3HG2      VAL   3  -6.676   2.804  -3.325
   21    H    ARG   4           H        ARG   4  -7.127   1.879   1.732
   22    HA   ARG   4           HA       ARG   4  -5.238   3.688   3.187
   23   1HB   ARG   4          1HB       ARG   4  -6.297   2.749   5.182
   24   2HB   ARG   4          2HB       ARG   4  -7.544   3.298   4.064
   25   1HG   ARG   4          1HG       ARG   4  -6.692   0.512   3.625
   26   2HG   ARG   4          2HG       ARG   4  -7.458   0.793   5.191
   27   1HD   ARG   4          1HD       ARG   4  -9.508   1.159   4.252
   28   2HD   ARG   4          2HD       ARG   4  -8.823   2.096   2.909
   29    HE   ARG   4           HE       ARG   4  -8.010  -0.196   2.035
   30   1HH1  ARG   4          1HH2      ARG   4 -10.968   0.419   1.604
   31   2HH1  ARG   4          2HH2      ARG   4 -11.694  -1.070   2.107
   32   1HH2  ARG   4          1HH1      ARG   4  -8.857  -2.209   3.745
   33   2HH2  ARG   4          2HH1      ARG   4 -10.500  -2.558   3.320
   34    H    PHE   5           H        PHE   5  -4.347   2.035   5.147
   35    HA   PHE   5           HA       PHE   5  -2.112   0.728   4.188
   36   1HB   PHE   5          1HB       PHE   5  -3.329   1.171   6.599
   37   2HB   PHE   5          2HB       PHE   5  -3.446  -0.585   6.472
   38    HD1  PHE   5           1HD      PHE   5  -0.999  -1.177   4.880
   39    HD2  PHE   5           2HD      PHE   5  -1.602   1.486   8.193
   40    HE1  PHE   5           1HE      PHE   5   1.399  -1.375   5.471
   41    HE2  PHE   5           2HE      PHE   5   0.799   1.290   8.786
   42    HZ   PHE   5           HZ       PHE   5   2.299  -0.139   7.420
   43    H    TRP   6           H        TRP   6  -1.706  -1.202   3.167
   44    HA   TRP   6           HA       TRP   6  -2.121  -3.269   2.105
   45   1HB   TRP   6          1HB       TRP   6  -4.128  -3.575   4.357
   46   2HB   TRP   6          2HB       TRP   6  -3.213  -4.851   3.551
   47    HD1  TRP   6           HD       TRP   6  -3.124  -2.753   6.542
   48    HE1  TRP   6           1HE      TRP   6  -0.786  -2.783   7.630
   49    HE3  TRP   6           3HE      TRP   6  -0.417  -4.861   2.763
   50    HZ2  TRP   6           2HZ      TRP   6   1.879  -3.593   6.985
   51    HZ3  TRP   6           3HZ      TRP   6   2.017  -5.250   3.023
   52    HH2  TRP   6           HH       TRP   6   3.168  -4.620   5.128
   53    H    GLY   7           H        GLY   7  -3.098  -2.170   0.309
   54   1HA   GLY   7          1HA       GLY   7  -5.943  -2.900  -0.031
   55   2HA   GLY   7          2HA       GLY   7  -5.485  -1.223  -0.343
   56    H    LYS   8           H        LYS   8  -5.967  -4.102  -1.849
   57    HA   LYS   8           HA       LYS   8  -4.007  -4.768  -3.605
   58   1HB   LYS   8          1HB       LYS   8  -6.612  -5.255  -3.450
   59   2HB   LYS   8          2HB       LYS   8  -6.683  -4.081  -4.763
   60   1HG   LYS   8          1HG       LYS   8  -4.527  -5.977  -5.188
   61   2HG   LYS   8          2HG       LYS   8  -6.069  -6.808  -4.995
   62   1HD   LYS   8          1HD       LYS   8  -6.385  -6.318  -7.189
   63   2HD   LYS   8          2HD       LYS   8  -6.762  -4.694  -6.612
   64   1HE   LYS   8          1HE       LYS   8  -4.047  -4.541  -6.685
   65   2HE   LYS   8          2HE       LYS   8  -4.342  -5.669  -8.025
   66   1HZ   LYS   8          1HZ       LYS   8  -5.044  -2.879  -7.793
   67   2HZ   LYS   8          2HZ       LYS   8  -6.331  -3.859  -8.310
   68   3HZ   LYS   8          3HZ       LYS   8  -4.872  -3.838  -9.181
   69    H    CYS   9           H        CYS   9  -2.614  -3.570  -4.792
   70    HA   CYS   9           HA       CYS   9  -3.614  -1.233  -6.333
   71   1HB   CYS   9          1HB       CYS   9  -2.957  -0.131  -4.370
   72   2HB   CYS   9          2HB       CYS   9  -1.675  -1.291  -4.033
   73    H    SER  10           H        SER  10  -2.116  -0.651  -8.067
   74    HA   SER  10           HA       SER  10   0.314  -2.254  -8.475
   75   1HB   SER  10          1HB       SER  10  -0.895  -2.949 -10.775
   76   2HB   SER  10          2HB       SER  10  -1.020  -3.931  -9.320
   77    HG   SER  10           HG       SER  10  -2.967  -2.783 -10.662
   78    H    GLN  11           H        GLN  11   1.645  -0.627  -9.174
   79    HA   GLN  11           HA       GLN  11   2.474   1.090 -10.578
   80   1HB   GLN  11          1HB       GLN  11   0.566  -0.441 -12.050
   81   2HB   GLN  11          2HB       GLN  11   0.309   1.257 -12.453
   82   1HG   GLN  11          1HG       GLN  11   2.706   1.506 -12.965
   83   2HG   GLN  11          2HG       GLN  11   2.975  -0.190 -12.553
   84   1HE2  GLN  11          1HE2      GLN  11   3.172   1.334 -15.237
   85   2HE2  GLN  11          2HE2      GLN  11   2.230   0.405 -16.298
   86    H    THR  12           H        THR  12   1.876   3.362 -11.277
   87    HA   THR  12           HA       THR  12   1.002   5.463 -10.614
   88    HB   THR  12           HB       THR  12  -1.701   4.259 -10.419
   89    HG1  THR  12           1HG      THR  12  -1.640   3.244 -12.274
   90   1HG2  THR  12          1HG2      THR  12  -1.204   6.692 -10.759
   91   2HG2  THR  12          2HG2      THR  12  -2.216   6.000 -12.030
   92   3HG2  THR  12          3HG2      THR  12  -0.499   6.284 -12.326
   93    H    SER  13           H        SER  13  -1.487   5.742  -9.030
   94    HA   SER  13           HA       SER  13  -0.518   4.757  -6.365
   95   1HB   SER  13          1HB       SER  13   0.064   7.055  -6.481
   96   2HB   SER  13          2HB       SER  13  -1.428   7.477  -7.315
   97    HG   SER  13           HG       SER  13  -1.021   6.782  -4.609
   98    H    ASP  14           H        ASP  14  -2.213   3.039  -6.908
   99    HA   ASP  14           HA       ASP  14  -4.976   3.561  -7.243
  100   1HB   ASP  14          1HB       ASP  14  -3.193   1.388  -6.572
  101   2HB   ASP  14          2HB       ASP  14  -4.653   1.286  -5.586
  102    HD2  ASP  14           HD2      ASP  14  -5.971  -0.228  -8.405
  103    H    CYS  15           H        CYS  15  -3.020   3.403  -4.278
  104    HA   CYS  15           HA       CYS  15  -5.373   3.886  -2.561
  105   1HB   CYS  15          1HB       CYS  15  -3.723   3.607  -0.783
  106   2HB   CYS  15          2HB       CYS  15  -3.474   2.351  -1.995
  107    H    CYS  16           H        CYS  16  -4.232   5.560  -0.645
  108    HA   CYS  16           HA       CYS  16  -4.576   8.185  -1.871
  109   1HB   CYS  16          1HB       CYS  16  -4.326   6.942   0.783
  110   2HB   CYS  16          2HB       CYS  16  -3.605   8.547   0.688
  111    HA   PRO  17           HA       PRO  17  -0.405   9.256  -2.812
  112   1HB   PRO  17          1HB       PRO  17  -0.592  11.857  -1.584
  113   2HB   PRO  17          2HB       PRO  17  -0.723  11.455  -3.303
  114   1HG   PRO  17          1HG       PRO  17  -2.813  12.295  -1.536
  115   2HG   PRO  17          2HG       PRO  17  -2.952  11.848  -3.240
  116   1HD   PRO  17          1HD       PRO  17  -3.866  10.364  -0.933
  117   2HD   PRO  17          2HD       PRO  17  -4.030   9.930  -2.652
  118    H    HIS  18           H        HIS  18  -1.584   9.142   0.393
  119    HA   HIS  18           HA       HIS  18   0.979   9.892   1.642
  120   1HB   HIS  18          1HB       HIS  18  -1.781   9.765   2.295
  121   2HB   HIS  18          2HB       HIS  18  -0.910   8.755   3.447
  122    HD1  HIS  18           1HD      HIS  18   0.092  12.300   1.911
  123    HD2  HIS  18           2HD      HIS  18  -0.400  10.155   5.458
  124    HE1  HIS  18           1HE      HIS  18   0.478  12.439   6.118
  125    HE2  HIS  18           2HE      HIS  18   0.477  12.439   6.118
  126    H    LEU  19           H        LEU  19   0.041   7.204   0.049
  127    HA   LEU  19           HA       LEU  19   1.572   5.403   1.895
  128   1HB   LEU  19          1HB       LEU  19  -0.827   4.711   0.172
  129   2HB   LEU  19          2HB       LEU  19  -0.019   3.642   1.319
  130    HG   LEU  19           HG       LEU  19  -0.589   5.833   2.882
  131   1HD1  LEU  19          1HD1      LEU  19  -2.019   6.416   0.676
  132   2HD1  LEU  19          2HD1      LEU  19  -3.183   5.372   1.493
  133   3HD1  LEU  19          3HD1      LEU  19  -2.579   6.822   2.299
  134   1HD2  LEU  19          1HD2      LEU  19  -1.577   4.194   4.083
  135   2HD2  LEU  19          2HD2      LEU  19  -1.250   3.113   2.731
  136   3HD2  LEU  19          3HD2      LEU  19  -2.803   3.941   2.841
  137    H    ALA  20           H        ALA  20   2.114   3.296   0.487
  138    HA   ALA  20           HA       ALA  20   2.969   4.141  -2.255
  139   1HB   ALA  20          1HB       ALA  20   5.112   4.094  -1.544
  140   2HB   ALA  20          2HB       ALA  20   4.555   3.716   0.086
  141   3HB   ALA  20          3HB       ALA  20   4.910   2.413  -1.050
  142    H    CYS  21           H        CYS  21   3.164   2.349  -3.742
  143    HA   CYS  21           HA       CYS  21   1.460   0.047  -3.030
  144   1HB   CYS  21          1HB       CYS  21   1.606   1.547  -5.211
  145   2HB   CYS  21          2HB       CYS  21   2.892   0.423  -5.643
  146    H    LYS  22           H        LYS  22   2.635  -1.402  -1.769
  147    HA   LYS  22           HA       LYS  22   4.581  -3.108  -3.003
  148   1HB   LYS  22          1HB       LYS  22   6.520  -2.278  -1.531
  149   2HB   LYS  22          2HB       LYS  22   6.069  -1.238  -2.882
  150   1HG   LYS  22          1HG       LYS  22   5.331   0.421  -1.519
  151   2HG   LYS  22          2HG       LYS  22   4.559  -0.712  -0.410
  152   1HD   LYS  22          1HD       LYS  22   6.357   0.329   0.802
  153   2HD   LYS  22          2HD       LYS  22   6.876  -1.314   0.426
  154   1HE   LYS  22          1HE       LYS  22   8.743  -0.320  -0.437
  155   2HE   LYS  22          2HE       LYS  22   7.703   0.111  -1.807
  156   1HZ   LYS  22          1HZ       LYS  22   8.697   2.096  -0.870
  157   2HZ   LYS  22          2HZ       LYS  22   8.087   1.715   0.669
  158   3HZ   LYS  22          3HZ       LYS  22   7.023   2.108  -0.597
  159    H    SER  23           H        SER  23   4.173  -4.993  -1.901
  160    HA   SER  23           HA       SER  23   3.812  -4.827   1.066
  161   1HB   SER  23          1HB       SER  23   2.144  -6.854   0.288
  162   2HB   SER  23          2HB       SER  23   1.626  -5.191   0.548
  163    HG   SER  23           HG       SER  23   2.551  -6.286  -1.909
  164    H    LYS  24           H        LYS  24   3.928  -7.133   2.011
  165    HA   LYS  24           HA       LYS  24   5.851  -8.858   0.494
  166   1HB   LYS  24          1HB       LYS  24   6.036  -8.348   3.467
  167   2HB   LYS  24          2HB       LYS  24   7.293  -8.929   2.376
  168   1HG   LYS  24          1HG       LYS  24   7.014  -6.618   1.202
  169   2HG   LYS  24          2HG       LYS  24   6.230  -6.129   2.704
  170   1HD   LYS  24          1HD       LYS  24   8.368  -7.237   3.806
  171   2HD   LYS  24          2HD       LYS  24   9.081  -6.914   2.225
  172   1HE   LYS  24          1HE       LYS  24   7.931  -4.518   2.617
  173   2HE   LYS  24          2HE       LYS  24   8.173  -4.982   4.313
  174   1HZ   LYS  24          1HZ       LYS  24  10.377  -5.613   2.549
  175   2HZ   LYS  24          2HZ       LYS  24  10.393  -4.935   4.105
  176   3HZ   LYS  24          3HZ       LYS  24  10.102  -3.952   2.751
  177    H    TRP  25           H        TRP  25   3.019  -9.154   0.759
  178    HA   TRP  25           HA       TRP  25   2.723 -11.847   1.529
  179   1HB   TRP  25          1HB       TRP  25   3.176 -11.385   3.767
  180   2HB   TRP  25          2HB       TRP  25   2.443  -9.789   3.699
  181    HD1  TRP  25           HD       TRP  25   0.568  -9.950   5.453
  182    HE1  TRP  25           1HE      TRP  25  -1.468 -11.495   5.799
  183    HE3  TRP  25           3HE      TRP  25   1.518 -13.474   1.883
  184    HZ2  TRP  25           2HZ      TRP  25  -2.550 -13.906   4.705
  185    HZ3  TRP  25           3HZ      TRP  25  -0.029 -15.382   1.556
  186    HH2  TRP  25           HH       TRP  25  -2.060 -15.603   2.961
  187    HA   PRO  26           HA       PRO  26  -1.678  -9.710   1.320
  188   1HB   PRO  26          1HB       PRO  26  -1.180  -7.018   0.430
  189   2HB   PRO  26          2HB       PRO  26  -1.973  -7.542   1.919
  190   1HG   PRO  26          1HG       PRO  26   0.670  -6.416   1.595
  191   2HG   PRO  26          2HG       PRO  26  -0.171  -6.833   3.092
  192   1HD   PRO  26          1HD       PRO  26   2.063  -8.175   1.967
  193   2HD   PRO  26          2HD       PRO  26   1.080  -8.715   3.345
  194    H    ARG  27           H        ARG  27   1.119  -9.299  -0.643
  195    HA   ARG  27           HA       ARG  27   1.484  -9.689  -2.923
  196   1HB   ARG  27          1HB       ARG  27  -1.054 -10.956  -2.208
  197   2HB   ARG  27          2HB       ARG  27  -0.958 -10.530  -3.918
  198   1HG   ARG  27          1HG       ARG  27   1.032 -11.795  -4.227
  199   2HG   ARG  27          2HG       ARG  27   1.294 -11.945  -2.488
  200   1HD   ARG  27          1HD       ARG  27  -0.964 -13.221  -4.075
  201   2HD   ARG  27          2HD       ARG  27   0.399 -14.062  -3.306
  202    HE   ARG  27           HE       ARG  27  -0.605 -12.702  -1.192
  203   1HH1  ARG  27          1HH2      ARG  27  -1.234 -15.654  -1.889
  204   2HH1  ARG  27          2HH2      ARG  27  -2.957 -15.654  -1.702
  205   1HH2  ARG  27          1HH1      ARG  27  -3.222 -12.196  -1.714
  206   2HH2  ARG  27          2HH1      ARG  27  -4.083 -13.696  -1.602
  207    H    ASN  28           H        ASN  28   1.793  -7.518  -3.492
  208    HA   ASN  28           HA       ASN  28   1.373  -5.548  -4.697
  209   1HB   ASN  28          1HB       ASN  28  -0.755  -7.443  -5.710
  210   2HB   ASN  28          2HB       ASN  28  -0.412  -5.882  -6.460
  211   1HD2  ASN  28          1HD2      ASN  28   0.113  -7.665  -8.281
  212   2HD2  ASN  28          2HD2      ASN  28   1.740  -8.141  -8.358
  213    H    ILE  29           H        ILE  29   0.750  -4.228  -2.900
  214    HA   ILE  29           HA       ILE  29  -2.035  -3.294  -3.046
  215    HB   ILE  29           HB       ILE  29  -2.502  -3.619  -0.700
  216   1HG1  ILE  29          1HG1      ILE  29  -0.762  -5.132   0.557
  217   2HG1  ILE  29          2HG1      ILE  29   0.369  -4.562  -0.671
  218   1HG2  ILE  29          1HG2      ILE  29  -1.387  -6.205  -1.844
  219   2HG2  ILE  29          2HG2      ILE  29  -2.941  -5.508  -2.296
  220   3HG2  ILE  29          3HG2      ILE  29  -2.666  -6.047  -0.643
  221   1HD1  ILE  29          1HD1      ILE  29  -0.128  -3.241   1.666
  222   2HD1  ILE  29          2HD1      ILE  29   0.442  -2.455   0.192
  223   3HD1  ILE  29          3HD1      ILE  29  -1.275  -2.448   0.588
  224    H    CYS  30           H        CYS  30  -2.120  -1.535  -1.044
  225    HA   CYS  30           HA       CYS  30   0.358   0.106  -1.394
  226   1HB   CYS  30          1HB       CYS  30  -2.283   0.526  -2.127
  227   2HB   CYS  30          2HB       CYS  30  -2.120   1.459  -0.639
  228    H    VAL  31           H        VAL  31   1.501   0.043   0.517
  229    HA   VAL  31           HA       VAL  31   0.010  -0.157   3.093
  230    HB   VAL  31           HB       VAL  31   2.329  -0.597   3.965
  231   1HG1  VAL  31          1HG1      VAL  31   1.671  -2.337   1.582
  232   2HG1  VAL  31          2HG1      VAL  31   0.736  -2.376   3.077
  233   3HG1  VAL  31          3HG1      VAL  31   2.445  -2.815   3.091
  234   1HG2  VAL  31          1HG2      VAL  31   4.164  -0.266   2.678
  235   2HG2  VAL  31          2HG2      VAL  31   3.098   0.657   1.617
  236   3HG2  VAL  31          3HG2      VAL  31   3.422  -1.044   1.278
  237    H    TRP  32           H        TRP  32   0.067   1.476   4.603
  238    HA   TRP  32           HA       TRP  32   0.450   4.168   3.938
  239   1HB   TRP  32          1HB       TRP  32  -0.664   3.939   5.924
  240   2HB   TRP  32          2HB       TRP  32   0.177   2.442   6.308
  241    HD1  TRP  32           HD       TRP  32   2.183   2.550   7.918
  242    HE1  TRP  32           1HE      TRP  32   3.313   4.433   9.262
  243    HE3  TRP  32           3HE      TRP  32  -0.066   6.615   5.796
  244    HZ2  TRP  32           2HZ      TRP  32   3.267   7.291   9.421
  245    HZ3  TRP  32           3HZ      TRP  32   0.496   8.903   6.562
  246    HH2  TRP  32           HH       TRP  32   2.158   9.246   8.370
  247    H    ASP  33           H        ASP  33   2.260   5.540   3.941
  248    HA   ASP  33           HA       ASP  33   4.915   4.227   4.117
  249   1HB   ASP  33          1HB       ASP  33   3.641   6.455   2.727
  250   2HB   ASP  33          2HB       ASP  33   5.189   6.929   3.432
  251    HD2  ASP  33           HD2      ASP  33   5.935   5.424   0.247
  252    H    GLY  34           H        GLY  34   6.478   4.849   5.644
  253   1HA   GLY  34          1HA       GLY  34   7.220   6.666   7.245
  254   2HA   GLY  34          2HA       GLY  34   5.537   6.736   7.769
  255    H    SER  35           H        SER  35   6.734   3.603   7.005
  256    HA   SER  35           HA       SER  35   6.508   2.820   9.843
  257   1HB   SER  35          1HB       SER  35   6.996   0.536   8.604
  258   2HB   SER  35          2HB       SER  35   5.431   1.321   8.410
  259    HG   SER  35           HG       SER  35   6.180   0.861   6.380
  260    H    VAL  36           H        VAL  36   8.691   4.416   9.744
  261    HA   VAL  36           HA       VAL  36  10.986   2.486   9.786
  262    HB   VAL  36           HB       VAL  36  11.022   3.961   7.801
  263   1HG1  VAL  36          1HG1      VAL  36  10.418   5.975   9.884
  264   2HG1  VAL  36          2HG1      VAL  36   9.996   5.964   8.172
  265   3HG1  VAL  36          3HG1      VAL  36  11.604   6.477   8.678
  266   1HG2  VAL  36          1HG2      VAL  36  13.070   4.719   9.912
  267   2HG2  VAL  36          2HG2      VAL  36  13.269   4.934   8.171
  268   3HG2  VAL  36          3HG2      VAL  36  13.161   3.312   8.853
  Start of MODEL    5
    1   1H    ASP   1          1HT       ASP   1 -10.313   7.694  -6.868
    2   2H    ASP   1          2HT       ASP   1 -11.761   6.828  -7.067
    3   3H    ASP   1          3HT       ASP   1 -10.273   6.006  -7.048
    4    HA   ASP   1           HA       ASP   1 -11.236   7.568  -4.713
    5   1HB   ASP   1          1HB       ASP   1 -12.472   5.364  -5.913
    6   2HB   ASP   1          2HB       ASP   1 -11.515   4.662  -4.608
    7    HD2  ASP   1           HD2      ASP   1 -14.653   6.808  -3.674
    8    H    CYS   2           H        CYS   2  -9.804   7.329  -2.977
    9    HA   CYS   2           HA       CYS   2  -7.196   6.072  -3.578
   10   1HB   CYS   2          1HB       CYS   2  -6.507   7.851  -2.366
   11   2HB   CYS   2          2HB       CYS   2  -8.186   8.333  -2.181
   12    H    VAL   3           H        VAL   3  -6.186   4.937  -1.531
   13    HA   VAL   3           HA       VAL   3  -8.220   3.142  -0.264
   14    HB   VAL   3           HB       VAL   3  -5.576   2.316  -1.499
   15   1HG1  VAL   3          1HG1      VAL   3  -6.178   0.737   0.164
   16   2HG1  VAL   3          2HG1      VAL   3  -6.785   0.042  -1.339
   17   3HG1  VAL   3          3HG1      VAL   3  -7.892   0.852  -0.232
   18   1HG2  VAL   3          1HG2      VAL   3  -8.412   2.142  -2.562
   19   2HG2  VAL   3          2HG2      VAL   3  -7.036   1.303  -3.272
   20   3HG2  VAL   3          3HG2      VAL   3  -7.085   3.067  -3.260
   21    H    ARG   4           H        ARG   4  -7.149   1.889   1.603
   22    HA   ARG   4           HA       ARG   4  -5.281   3.732   3.043
   23   1HB   ARG   4          1HB       ARG   4  -6.330   2.808   5.059
   24   2HB   ARG   4          2HB       ARG   4  -7.572   3.376   3.946
   25   1HG   ARG   4          1HG       ARG   4  -7.862   1.059   3.105
   26   2HG   ARG   4          2HG       ARG   4  -6.655   0.502   4.264
   27   1HD   ARG   4          1HD       ARG   4  -8.144   0.548   5.986
   28   2HD   ARG   4          2HD       ARG   4  -8.788   2.125   5.488
   29    HE   ARG   4           HE       ARG   4  -9.506  -0.064   3.678
   30   1HH1  ARG   4          1HH1      ARG   4 -10.760   2.586   5.127
   31   2HH1  ARG   4          2HH1      ARG   4 -12.243   1.865   5.658
   32   1HH2  ARG   4          1HH2      ARG   4 -11.229  -1.376   4.956
   33   2HH2  ARG   4          2HH2      ARG   4 -12.506  -0.378   5.563
   34    H    PHE   5           H        PHE   5  -4.384   2.129   5.025
   35    HA   PHE   5           HA       PHE   5  -2.137   0.815   4.112
   36   1HB   PHE   5          1HB       PHE   5  -3.359   1.328   6.497
   37   2HB   PHE   5          2HB       PHE   5  -3.502  -0.428   6.425
   38    HD1  PHE   5           1HD      PHE   5  -1.707   1.500   8.227
   39    HD2  PHE   5           2HD      PHE   5  -0.981  -0.945   4.774
   40    HE1  PHE   5           1HE      PHE   5   0.674   1.280   8.884
   41    HE2  PHE   5           2HE      PHE   5   1.399  -1.166   5.428
   42    HZ   PHE   5           HZ       PHE   5   2.227  -0.053   7.480
   43    H    TRP   6           H        TRP   6  -1.716  -1.117   3.111
   44    HA   TRP   6           HA       TRP   6  -2.070  -3.245   2.160
   45   1HB   TRP   6          1HB       TRP   6  -4.126  -3.447   4.379
   46   2HB   TRP   6          2HB       TRP   6  -3.230  -4.770   3.628
   47    HD1  TRP   6           HD       TRP   6  -3.093  -2.444   6.480
   48    HE1  TRP   6           1HE      TRP   6  -0.776  -2.510   7.606
   49    HE3  TRP   6           3HE      TRP   6  -0.458  -5.019   2.943
   50    HZ2  TRP   6           2HZ      TRP   6   1.844  -3.519   7.083
   51    HZ3  TRP   6           3HZ      TRP   6   1.945  -5.520   3.283
   52    HH2  TRP   6           HH       TRP   6   3.099  -4.775   5.346
   53    H    GLY   7           H        GLY   7  -3.119  -1.724   0.469
   54   1HA   GLY   7          1HA       GLY   7  -5.916  -2.665   0.031
   55   2HA   GLY   7          2HA       GLY   7  -5.447  -1.002  -0.330
   56    H    LYS   8           H        LYS   8  -5.924  -3.934  -1.744
   57    HA   LYS   8           HA       LYS   8  -3.941  -4.645  -3.466
   58   1HB   LYS   8          1HB       LYS   8  -6.230  -5.543  -3.467
   59   2HB   LYS   8          2HB       LYS   8  -6.831  -4.037  -4.164
   60   1HG   LYS   8          1HG       LYS   8  -4.973  -4.571  -6.000
   61   2HG   LYS   8          2HG       LYS   8  -5.250  -6.224  -5.446
   62   1HD   LYS   8          1HD       LYS   8  -7.608  -6.073  -5.940
   63   2HD   LYS   8          2HD       LYS   8  -7.476  -4.346  -6.283
   64   1HE   LYS   8          1HE       LYS   8  -5.857  -4.946  -8.154
   65   2HE   LYS   8          2HE       LYS   8  -6.330  -6.639  -7.903
   66   1HZ   LYS   8          1HZ       LYS   8  -7.685  -5.096  -9.520
   67   2HZ   LYS   8          2HZ       LYS   8  -8.441  -4.613  -8.078
   68   3HZ   LYS   8          3HZ       LYS   8  -8.469  -6.245  -8.549
   69    H    CYS   9           H        CYS   9  -2.573  -3.484  -4.713
   70    HA   CYS   9           HA       CYS   9  -3.592  -1.156  -6.264
   71   1HB   CYS   9          1HB       CYS   9  -2.848  -0.045  -4.340
   72   2HB   CYS   9          2HB       CYS   9  -1.596  -1.240  -4.018
   73    H    SER  10           H        SER  10  -1.834  -0.439  -7.854
   74    HA   SER  10           HA       SER  10   0.225  -2.493  -8.446
   75   1HB   SER  10          1HB       SER  10  -2.000  -1.686 -10.341
   76   2HB   SER  10          2HB       SER  10  -0.671  -2.776 -10.730
   77    HG   SER  10           HG       SER  10  -2.689  -3.127  -8.760
   78    H    GLN  11           H        GLN  11   1.992  -1.149  -8.555
   79    HA   GLN  11           HA       GLN  11   3.377   0.631  -9.261
   80   1HB   GLN  11          1HB       GLN  11   1.346   0.402 -11.498
   81   2HB   GLN  11          2HB       GLN  11   2.824   1.360 -11.615
   82   1HG   GLN  11          1HG       GLN  11   3.078  -1.479 -10.715
   83   2HG   GLN  11          2HG       GLN  11   2.750  -1.186 -12.423
   84   1HE2  GLN  11          1HE2      GLN  11   4.752  -1.367 -13.464
   85   2HE2  GLN  11          2HE2      GLN  11   6.172  -0.587 -12.962
   86    H    THR  12           H        THR  12   1.427   1.417  -7.376
   87    HA   THR  12           HA       THR  12   0.477   3.413  -6.532
   88    HB   THR  12           HB       THR  12   1.617   4.789  -8.949
   89    HG1  THR  12           1HG      THR  12   3.573   4.272  -8.387
   90   1HG2  THR  12          1HG2      THR  12   2.367   6.292  -6.918
   91   2HG2  THR  12          2HG2      THR  12   1.090   5.422  -6.068
   92   3HG2  THR  12          3HG2      THR  12   0.706   6.368  -7.506
   93    H    SER  13           H        SER  13  -0.950   5.376  -7.398
   94    HA   SER  13           HA       SER  13  -2.860   6.077  -8.614
   95   1HB   SER  13          1HB       SER  13  -1.229   5.150 -10.454
   96   2HB   SER  13          2HB       SER  13  -2.351   3.795 -10.502
   97    HG   SER  13           HG       SER  13  -2.780   5.658 -11.946
   98    H    ASP  14           H        ASP  14  -2.816   3.831  -6.555
   99    HA   ASP  14           HA       ASP  14  -5.544   2.804  -7.167
  100   1HB   ASP  14          1HB       ASP  14  -3.143   1.109  -6.410
  101   2HB   ASP  14          2HB       ASP  14  -4.789   0.510  -6.615
  102    HD2  ASP  14           HD2      ASP  14  -4.579   0.805 -10.085
  103    H    CYS  15           H        CYS  15  -3.754   4.496  -5.099
  104    HA   CYS  15           HA       CYS  15  -5.428   3.774  -2.777
  105   1HB   CYS  15          1HB       CYS  15  -3.282   3.570  -1.386
  106   2HB   CYS  15          2HB       CYS  15  -3.635   2.226  -2.469
  107    H    CYS  16           H        CYS  16  -4.230   5.274  -0.831
  108    HA   CYS  16           HA       CYS  16  -4.658   8.004  -1.789
  109   1HB   CYS  16          1HB       CYS  16  -4.552   6.512   0.682
  110   2HB   CYS  16          2HB       CYS  16  -3.609   7.997   0.816
  111    HA   PRO  17           HA       PRO  17  -0.513   9.147  -2.750
  112   1HB   PRO  17          1HB       PRO  17  -0.776  11.720  -1.479
  113   2HB   PRO  17          2HB       PRO  17  -0.891  11.343  -3.205
  114   1HG   PRO  17          1HG       PRO  17  -3.010  12.081  -1.416
  115   2HG   PRO  17          2HG       PRO  17  -3.126  11.699  -3.136
  116   1HD   PRO  17          1HD       PRO  17  -4.041  10.113  -0.911
  117   2HD   PRO  17          2HD       PRO  17  -4.135   9.718  -2.644
  118    H    HIS  18           H        HIS  18  -1.736   9.002   0.445
  119    HA   HIS  18           HA       HIS  18   0.810   9.732   1.736
  120   1HB   HIS  18          1HB       HIS  18  -1.965   9.606   2.343
  121   2HB   HIS  18          2HB       HIS  18  -1.108   8.593   3.506
  122    HD1  HIS  18           1HD      HIS  18  -0.176  12.177   2.009
  123    HD2  HIS  18           2HD      HIS  18  -0.540   9.955   5.523
  124    HE1  HIS  18           1HE      HIS  18   0.295  12.248   6.207
  125    HE2  HIS  18           2HE      HIS  18   0.298  12.247   6.207
  126    H    LEU  19           H        LEU  19   0.170   7.163   0.003
  127    HA   LEU  19           HA       LEU  19   1.511   5.278   1.903
  128   1HB   LEU  19          1HB       LEU  19  -0.904   4.786   0.131
  129   2HB   LEU  19          2HB       LEU  19  -0.050   3.523   1.021
  130    HG   LEU  19           HG       LEU  19  -0.506   5.439   2.963
  131   1HD1  LEU  19          1HD1      LEU  19  -2.829   6.103   2.779
  132   2HD1  LEU  19          2HD1      LEU  19  -1.995   6.617   1.309
  133   3HD1  LEU  19          3HD1      LEU  19  -3.019   5.180   1.287
  134   1HD2  LEU  19          1HD2      LEU  19  -0.825   2.871   2.893
  135   2HD2  LEU  19          2HD2      LEU  19  -2.465   3.224   2.352
  136   3HD2  LEU  19          3HD2      LEU  19  -1.913   3.796   3.927
  137    H    ALA  20           H        ALA  20   2.057   3.189   0.446
  138    HA   ALA  20           HA       ALA  20   3.031   4.052  -2.245
  139   1HB   ALA  20          1HB       ALA  20   4.663   2.567  -0.160
  140   2HB   ALA  20          2HB       ALA  20   5.239   3.205  -1.701
  141   3HB   ALA  20          3HB       ALA  20   4.761   4.310  -0.412
  142    H    CYS  21           H        CYS  21   3.090   2.307  -3.750
  143    HA   CYS  21           HA       CYS  21   1.440  -0.005  -3.057
  144   1HB   CYS  21          1HB       CYS  21   1.754   1.466  -5.251
  145   2HB   CYS  21          2HB       CYS  21   3.006   0.274  -5.599
  146    H    LYS  22           H        LYS  22   2.553  -1.387  -1.662
  147    HA   LYS  22           HA       LYS  22   4.467  -3.220  -2.743
  148   1HB   LYS  22          1HB       LYS  22   6.462  -2.424  -1.485
  149   2HB   LYS  22          2HB       LYS  22   5.907  -1.219  -2.647
  150   1HG   LYS  22          1HG       LYS  22   4.495  -0.298  -0.656
  151   2HG   LYS  22          2HG       LYS  22   5.617  -1.218   0.347
  152   1HD   LYS  22          1HD       LYS  22   7.257   0.100  -1.492
  153   2HD   LYS  22          2HD       LYS  22   6.043   1.299  -1.051
  154   1HE   LYS  22          1HE       LYS  22   7.318   1.663   0.804
  155   2HE   LYS  22          2HE       LYS  22   6.691   0.107   1.387
  156   1HZ   LYS  22          1HZ       LYS  22   9.120   0.530  -0.273
  157   2HZ   LYS  22          2HZ       LYS  22   8.470  -0.994   0.104
  158   3HZ   LYS  22          3HZ       LYS  22   9.078   0.004   1.339
  159    H    SER  23           H        SER  23   3.952  -5.027  -1.533
  160    HA   SER  23           HA       SER  23   3.350  -4.613   1.375
  161   1HB   SER  23          1HB       SER  23   2.066  -6.933   0.569
  162   2HB   SER  23          2HB       SER  23   1.312  -5.353   0.747
  163    HG   SER  23           HG       SER  23   1.685  -6.772  -1.465
  164    H    LYS  24           H        LYS  24   3.930  -6.429   2.773
  165    HA   LYS  24           HA       LYS  24   6.158  -8.106   1.667
  166   1HB   LYS  24          1HB       LYS  24   6.881  -8.129   4.078
  167   2HB   LYS  24          2HB       LYS  24   6.824  -6.508   3.388
  168   1HG   LYS  24          1HG       LYS  24   4.951  -5.902   4.606
  169   2HG   LYS  24          2HG       LYS  24   4.355  -7.559   4.716
  170   1HD   LYS  24          1HD       LYS  24   6.918  -7.368   6.023
  171   2HD   LYS  24          2HD       LYS  24   5.835  -6.132   6.666
  172   1HE   LYS  24          1HE       LYS  24   4.074  -8.045   6.809
  173   2HE   LYS  24          2HE       LYS  24   5.471  -9.130   6.663
  174   1HZ   LYS  24          1HZ       LYS  24   5.168  -8.653   8.968
  175   2HZ   LYS  24          2HZ       LYS  24   5.074  -6.982   8.675
  176   3HZ   LYS  24          3HZ       LYS  24   6.543  -7.806   8.450
  177    H    TRP  25           H        TRP  25   3.264  -8.717   1.545
  178    HA   TRP  25           HA       TRP  25   3.264 -11.457   2.285
  179   1HB   TRP  25          1HB       TRP  25   3.276 -10.963   4.555
  180   2HB   TRP  25          2HB       TRP  25   2.390  -9.459   4.345
  181    HD1  TRP  25           HD       TRP  25   0.360  -9.897   5.885
  182    HE1  TRP  25           1HE      TRP  25  -1.550 -11.628   5.895
  183    HE3  TRP  25           3HE      TRP  25   2.081 -13.136   2.333
  184    HZ2  TRP  25           2HZ      TRP  25  -2.256 -14.066   4.575
  185    HZ3  TRP  25           3HZ      TRP  25   0.774 -15.153   1.729
  186    HH2  TRP  25           HH       TRP  25  -1.391 -15.622   2.845
  187    HA   PRO  26           HA       PRO  26  -1.324  -9.992   1.381
  188   1HB   PRO  26          1HB       PRO  26  -1.090  -7.232   0.595
  189   2HB   PRO  26          2HB       PRO  26  -2.012  -7.899   1.946
  190   1HG   PRO  26          1HG       PRO  26   0.484  -6.425   2.018
  191   2HG   PRO  26          2HG       PRO  26  -0.530  -6.942   3.368
  192   1HD   PRO  26          1HD       PRO  26   2.004  -7.987   2.684
  193   2HD   PRO  26          2HD       PRO  26   0.851  -8.692   3.840
  194    H    ARG  27           H        ARG  27   1.525  -8.583  -0.120
  195    HA   ARG  27           HA       ARG  27   2.335  -8.690  -2.323
  196   1HB   ARG  27          1HB       ARG  27   0.124 -10.742  -2.617
  197   2HB   ARG  27          2HB       ARG  27   1.590 -10.622  -3.589
  198   1HG   ARG  27          1HG       ARG  27   2.240 -10.718  -0.765
  199   2HG   ARG  27          2HG       ARG  27   1.264 -12.111  -1.230
  200   1HD   ARG  27          1HD       ARG  27   3.477 -12.820  -1.699
  201   2HD   ARG  27          2HD       ARG  27   2.902 -12.252  -3.278
  202    HE   ARG  27           HE       ARG  27   3.899  -9.951  -2.231
  203   1HH1  ARG  27          1HH1      ARG  27   5.385 -11.807  -4.215
  204   2HH1  ARG  27          2HH1      ARG  27   6.927 -11.920  -3.435
  205   1HH2  ARG  27          1HH2      ARG  27   5.785 -10.667  -0.411
  206   2HH2  ARG  27          2HH2      ARG  27   7.153 -11.275  -1.280
  207    H    ASN  28           H        ASN  28   1.918  -6.893  -3.489
  208    HA   ASN  28           HA       ASN  28   0.887  -5.580  -5.157
  209   1HB   ASN  28          1HB       ASN  28   0.005  -8.039  -5.641
  210   2HB   ASN  28          2HB       ASN  28  -1.527  -7.341  -5.108
  211   1HD2  ASN  28          1HD2      ASN  28   1.225  -6.404  -7.266
  212   2HD2  ASN  28          2HD2      ASN  28   0.237  -5.738  -8.475
  213    H    ILE  29           H        ILE  29   0.681  -4.266  -2.934
  214    HA   ILE  29           HA       ILE  29  -2.065  -3.196  -2.963
  215    HB   ILE  29           HB       ILE  29  -2.480  -3.510  -0.634
  216   1HG1  ILE  29          1HG1      ILE  29  -0.690  -4.978   0.625
  217   2HG1  ILE  29          2HG1      ILE  29   0.406  -4.381  -0.620
  218   1HG2  ILE  29          1HG2      ILE  29  -2.932  -5.455  -2.150
  219   2HG2  ILE  29          2HG2      ILE  29  -2.595  -5.947  -0.492
  220   3HG2  ILE  29          3HG2      ILE  29  -1.351  -6.113  -1.730
  221   1HD1  ILE  29          1HD1      ILE  29  -1.296  -2.314   0.625
  222   2HD1  ILE  29          2HD1      ILE  29  -0.124  -3.059   1.707
  223   3HD1  ILE  29          3HD1      ILE  29   0.418  -2.267   0.228
  224    H    CYS  30           H        CYS  30  -2.024  -1.429  -0.994
  225    HA   CYS  30           HA       CYS  30   0.496   0.137  -1.419
  226   1HB   CYS  30          1HB       CYS  30  -2.010   0.679  -2.276
  227   2HB   CYS  30          2HB       CYS  30  -2.074   1.437  -0.686
  228    H    VAL  31           H        VAL  31   1.637  -0.132   0.508
  229    HA   VAL  31           HA       VAL  31   0.163  -0.203   3.086
  230    HB   VAL  31           HB       VAL  31   2.463  -0.679   3.963
  231   1HG1  VAL  31          1HG1      VAL  31   0.922  -2.469   3.115
  232   2HG1  VAL  31          2HG1      VAL  31   2.632  -2.884   2.981
  233   3HG1  VAL  31          3HG1      VAL  31   1.737  -2.363   1.554
  234   1HG2  VAL  31          1HG2      VAL  31   4.332  -0.816   2.506
  235   2HG2  VAL  31          2HG2      VAL  31   3.535   0.697   2.075
  236   3HG2  VAL  31          3HG2      VAL  31   3.315  -0.731   1.067
  237    H    TRP  32           H        TRP  32   0.246   1.434   4.597
  238    HA   TRP  32           HA       TRP  32   0.595   4.122   3.932
  239   1HB   TRP  32          1HB       TRP  32  -0.432   3.882   5.961
  240   2HB   TRP  32          2HB       TRP  32   0.443   2.398   6.317
  241    HD1  TRP  32           HD       TRP  32   2.354   2.543   8.006
  242    HE1  TRP  32           1HE      TRP  32   3.567   4.458   9.229
  243    HE3  TRP  32           3HE      TRP  32   0.343   6.556   5.571
  244    HZ2  TRP  32           2HZ      TRP  32   3.671   7.319   9.181
  245    HZ3  TRP  32           3HZ      TRP  32   1.015   8.861   6.179
  246    HH2  TRP  32           HH       TRP  32   2.676   9.249   7.979
  247    H    ASP  33           H        ASP  33   2.371   5.588   4.099
  248    HA   ASP  33           HA       ASP  33   5.013   4.462   3.640
  249   1HB   ASP  33          1HB       ASP  33   3.613   6.858   3.198
  250   2HB   ASP  33          2HB       ASP  33   4.918   7.293   4.301
  251    HD2  ASP  33           HD2      ASP  33   6.059   5.710   0.844
  252    H    GLY  34           H        GLY  34   6.550   6.418   5.106
  253   1HA   GLY  34          1HA       GLY  34   5.958   6.195   7.940
  254   2HA   GLY  34          2HA       GLY  34   7.232   5.084   7.440
  255    H    SER  35           H        SER  35   6.503   8.404   6.357
  256    HA   SER  35           HA       SER  35   9.352   9.093   6.605
  257   1HB   SER  35          1HB       SER  35   8.192  11.372   5.841
  258   2HB   SER  35          2HB       SER  35   8.404  10.040   4.710
  259    HG   SER  35           HG       SER  35   6.103  10.918   6.063
  260    H    VAL  36           H        VAL  36   9.328   8.798   9.039
  261    HA   VAL  36           HA       VAL  36   8.413  11.325  10.368
  262    HB   VAL  36           HB       VAL  36   8.165   8.453  11.326
  263   1HG1  VAL  36          1HG1      VAL  36   8.331   9.401  13.383
  264   2HG1  VAL  36          2HG1      VAL  36   6.725  10.053  13.052
  265   3HG1  VAL  36          3HG1      VAL  36   8.156  11.034  12.737
  266   1HG2  VAL  36          1HG2      VAL  36   5.717   9.904  11.387
  267   2HG2  VAL  36          2HG2      VAL  36   6.137   8.542  10.346
  268   3HG2  VAL  36          3HG2      VAL  36   6.449  10.193   9.807
  Start of MODEL    6
    1   1H    ASP   1          1HT       ASP   1 -11.481   4.945  -5.874
    2   2H    ASP   1          2HT       ASP   1 -11.576   6.550  -6.424
    3   3H    ASP   1          3HT       ASP   1 -12.975   5.749  -5.888
    4    HA   ASP   1           HA       ASP   1 -11.880   7.415  -4.290
    5   1HB   ASP   1          1HB       ASP   1 -12.485   5.799  -2.436
    6   2HB   ASP   1          2HB       ASP   1 -13.701   5.931  -3.709
    7    HD2  ASP   1           HD2      ASP   1 -13.450   2.488  -3.813
    8    H    CYS   2           H        CYS   2 -10.419   7.132  -2.292
    9    HA   CYS   2           HA       CYS   2  -7.757   6.262  -3.186
   10   1HB   CYS   2          1HB       CYS   2  -8.982   8.029  -1.247
   11   2HB   CYS   2          2HB       CYS   2  -7.775   7.014  -0.458
   12    H    VAL   3           H        VAL   3  -6.426   4.852  -1.763
   13    HA   VAL   3           HA       VAL   3  -8.082   2.732  -0.442
   14    HB   VAL   3           HB       VAL   3  -5.354   2.347  -1.681
   15   1HG1  VAL   3          1HG1      VAL   3  -6.032   0.045  -1.790
   16   2HG1  VAL   3          2HG1      VAL   3  -7.700   0.457  -1.394
   17   3HG1  VAL   3          3HG1      VAL   3  -6.438   0.620  -0.174
   18   1HG2  VAL   3          1HG2      VAL   3  -7.784   3.063  -3.062
   19   2HG2  VAL   3          2HG2      VAL   3  -7.367   1.395  -3.448
   20   3HG2  VAL   3          3HG2      VAL   3  -6.204   2.686  -3.747
   21    H    ARG   4           H        ARG   4  -7.157   1.815   1.492
   22    HA   ARG   4           HA       ARG   4  -5.257   3.660   2.870
   23   1HB   ARG   4          1HB       ARG   4  -7.052   1.513   4.027
   24   2HB   ARG   4          2HB       ARG   4  -6.326   2.877   4.875
   25   1HG   ARG   4          1HG       ARG   4  -7.755   4.442   3.822
   26   2HG   ARG   4          2HG       ARG   4  -8.222   3.301   2.561
   27   1HD   ARG   4          1HD       ARG   4 -10.029   3.570   4.248
   28   2HD   ARG   4          2HD       ARG   4  -9.389   1.913   4.263
   29    HE   ARG   4           HE       ARG   4  -8.681   4.023   6.259
   30   1HH1  ARG   4          1HH2      ARG   4 -10.222   1.262   6.491
   31   2HH1  ARG   4          2HH2      ARG   4  -9.040   0.368   7.387
   32   1HH2  ARG   4          1HH1      ARG   4  -6.497   2.658   6.828
   33   2HH2  ARG   4          2HH1      ARG   4  -6.931   1.160   7.578
   34    H    PHE   5           H        PHE   5  -4.383   2.055   4.886
   35    HA   PHE   5           HA       PHE   5  -2.109   0.752   3.976
   36   1HB   PHE   5          1HB       PHE   5  -3.327   1.327   6.359
   37   2HB   PHE   5          2HB       PHE   5  -3.433  -0.432   6.338
   38    HD1  PHE   5           1HD      PHE   5  -1.646   1.655   8.019
   39    HD2  PHE   5           2HD      PHE   5  -0.940  -1.011   4.731
   40    HE1  PHE   5           1HE      PHE   5   0.748   1.507   8.653
   41    HE2  PHE   5           2HE      PHE   5   1.451  -1.161   5.364
   42    HZ   PHE   5           HZ       PHE   5   2.297   0.103   7.322
   43    H    TRP   6           H        TRP   6  -1.691  -1.245   3.060
   44    HA   TRP   6           HA       TRP   6  -2.079  -3.405   2.188
   45   1HB   TRP   6          1HB       TRP   6  -4.166  -3.518   4.382
   46   2HB   TRP   6          2HB       TRP   6  -3.228  -4.857   3.721
   47    HD1  TRP   6           HD       TRP   6  -3.204  -2.378   6.451
   48    HE1  TRP   6           1HE      TRP   6  -0.919  -2.352   7.647
   49    HE3  TRP   6           3HE      TRP   6  -0.446  -5.123   3.144
   50    HZ2  TRP   6           2HZ      TRP   6   1.728  -3.361   7.252
   51    HZ3  TRP   6           3HZ      TRP   6   1.953  -5.574   3.576
   52    HH2  TRP   6           HH       TRP   6   3.043  -4.698   5.626
   53    H    GLY   7           H        GLY   7  -3.222  -1.658   0.593
   54   1HA   GLY   7          1HA       GLY   7  -5.951  -2.759   0.076
   55   2HA   GLY   7          2HA       GLY   7  -5.556  -1.063  -0.217
   56    H    LYS   8           H        LYS   8  -6.021  -3.830  -1.831
   57    HA   LYS   8           HA       LYS   8  -4.016  -4.514  -3.535
   58   1HB   LYS   8          1HB       LYS   8  -6.908  -4.254  -3.650
   59   2HB   LYS   8          2HB       LYS   8  -6.193  -3.998  -5.243
   60   1HG   LYS   8          1HG       LYS   8  -4.940  -6.224  -3.835
   61   2HG   LYS   8          2HG       LYS   8  -6.675  -6.468  -4.044
   62   1HD   LYS   8          1HD       LYS   8  -4.979  -5.519  -6.344
   63   2HD   LYS   8          2HD       LYS   8  -5.086  -7.237  -5.957
   64   1HE   LYS   8          1HE       LYS   8  -7.413  -7.314  -6.398
   65   2HE   LYS   8          2HE       LYS   8  -7.576  -5.549  -6.290
   66   1HZ   LYS   8          1HZ       LYS   8  -6.049  -7.057  -8.347
   67   2HZ   LYS   8          2HZ       LYS   8  -6.069  -5.364  -8.204
   68   3HZ   LYS   8          3HZ       LYS   8  -7.493  -6.204  -8.597
   69    H    CYS   9           H        CYS   9  -2.667  -3.480  -4.929
   70    HA   CYS   9           HA       CYS   9  -3.465  -0.945  -6.235
   71   1HB   CYS   9          1HB       CYS   9  -2.668  -0.031  -4.226
   72   2HB   CYS   9          2HB       CYS   9  -1.485  -1.315  -3.999
   73    H    SER  10           H        SER  10  -1.599  -0.247  -7.774
   74    HA   SER  10           HA       SER  10   0.270  -2.444  -8.480
   75   1HB   SER  10          1HB       SER  10  -1.609  -1.333 -10.552
   76   2HB   SER  10          2HB       SER  10  -0.684  -2.830 -10.597
   77    HG   SER  10           HG       SER  10  -2.972  -2.189  -9.057
   78    H    GLN  11           H        GLN  11   0.665   0.337  -7.579
   79    HA   GLN  11           HA       GLN  11   2.191   2.064  -8.106
   80   1HB   GLN  11          1HB       GLN  11   2.809  -0.189  -9.743
   81   2HB   GLN  11          2HB       GLN  11   2.945   1.252 -10.752
   82   1HG   GLN  11          1HG       GLN  11   4.137   2.053  -8.391
   83   2HG   GLN  11          2HG       GLN  11   4.637   0.366  -8.525
   84   1HE2  GLN  11          1HE2      GLN  11   5.240  -0.168 -11.029
   85   2HE2  GLN  11          2HE2      GLN  11   6.289   0.961 -11.738
   86    H    THR  12           H        THR  12  -0.688   1.529  -9.568
   87    HA   THR  12           HA       THR  12  -0.433   3.672 -11.617
   88    HB   THR  12           HB       THR  12  -2.768   1.889 -10.856
   89    HG1  THR  12           1HG      THR  12  -1.408   0.451 -11.612
   90   1HG2  THR  12          1HG2      THR  12  -3.126   2.425 -13.447
   91   2HG2  THR  12          2HG2      THR  12  -2.206   3.867 -13.016
   92   3HG2  THR  12          3HG2      THR  12  -3.723   3.509 -12.189
   93    H    SER  13           H        SER  13  -0.132   4.668  -9.016
   94    HA   SER  13           HA       SER  13  -1.085   6.168  -7.445
   95   1HB   SER  13          1HB       SER  13  -1.033   7.349  -9.676
   96   2HB   SER  13          2HB       SER  13  -2.707   6.854  -9.916
   97    HG   SER  13           HG       SER  13  -1.599   8.660  -8.074
   98    H    ASP  14           H        ASP  14  -2.308   3.580  -7.356
   99    HA   ASP  14           HA       ASP  14  -5.206   3.809  -7.469
  100   1HB   ASP  14          1HB       ASP  14  -3.183   1.830  -7.139
  101   2HB   ASP  14          2HB       ASP  14  -4.263   1.707  -5.750
  102    HD2  ASP  14           HD2      ASP  14  -5.607  -0.030  -8.752
  103    H    CYS  15           H        CYS  15  -3.312   2.924  -4.577
  104    HA   CYS  15           HA       CYS  15  -5.237   3.870  -2.720
  105   1HB   CYS  15          1HB       CYS  15  -3.452   3.526  -1.103
  106   2HB   CYS  15          2HB       CYS  15  -3.347   2.265  -2.331
  107    H    CYS  16           H        CYS  16  -4.282   5.607  -0.956
  108    HA   CYS  16           HA       CYS  16  -4.328   8.159  -2.381
  109   1HB   CYS  16          1HB       CYS  16  -4.812   7.100   0.233
  110   2HB   CYS  16          2HB       CYS  16  -3.688   8.451   0.361
  111    HA   PRO  17           HA       PRO  17  -0.068   9.135  -2.750
  112   1HB   PRO  17          1HB       PRO  17  -0.335  11.738  -1.548
  113   2HB   PRO  17          2HB       PRO  17  -0.260  11.338  -3.269
  114   1HG   PRO  17          1HG       PRO  17  -2.539  12.216  -1.757
  115   2HG   PRO  17          2HG       PRO  17  -2.459  11.830  -3.478
  116   1HD   PRO  17          1HD       PRO  17  -3.747  10.318  -1.400
  117   2HD   PRO  17          2HD       PRO  17  -3.614   9.900  -3.126
  118    H    HIS  18           H        HIS  18  -1.650   9.112   0.295
  119    HA   HIS  18           HA       HIS  18   0.757   9.772   1.850
  120   1HB   HIS  18          1HB       HIS  18  -2.069   9.685   2.161
  121   2HB   HIS  18          2HB       HIS  18  -1.349   8.666   3.412
  122    HD1  HIS  18           1HD      HIS  18  -0.277  12.249   2.007
  123    HD2  HIS  18           2HD      HIS  18  -0.937  10.015   5.469
  124    HE1  HIS  18           1HE      HIS  18  -0.182  12.310   6.234
  125    HE2  HIS  18           2HE      HIS  18  -0.181  12.309   6.233
  126    H    LEU  19           H        LEU  19   0.291   7.231   0.048
  127    HA   LEU  19           HA       LEU  19   1.452   5.330   2.037
  128   1HB   LEU  19          1HB       LEU  19  -0.887   4.857   0.161
  129   2HB   LEU  19          2HB       LEU  19  -0.093   3.588   1.093
  130    HG   LEU  19           HG       LEU  19  -0.608   5.567   2.982
  131   1HD1  LEU  19          1HD1      LEU  19  -2.503   5.757   0.762
  132   2HD1  LEU  19          2HD1      LEU  19  -3.298   5.425   2.303
  133   3HD1  LEU  19          3HD1      LEU  19  -2.267   6.845   2.130
  134   1HD2  LEU  19          1HD2      LEU  19  -1.517   3.774   4.024
  135   2HD2  LEU  19          2HD2      LEU  19  -1.128   2.862   2.566
  136   3HD2  LEU  19          3HD2      LEU  19  -2.732   3.568   2.761
  137    H    ALA  20           H        ALA  20   1.844   3.160   0.464
  138    HA   ALA  20           HA       ALA  20   3.032   4.046  -2.116
  139   1HB   ALA  20          1HB       ALA  20   4.627   4.276  -0.111
  140   2HB   ALA  20          2HB       ALA  20   4.612   2.514  -0.041
  141   3HB   ALA  20          3HB       ALA  20   5.220   3.335  -1.478
  142    H    CYS  21           H        CYS  21   3.447   2.212  -3.547
  143    HA   CYS  21           HA       CYS  21   1.763  -0.141  -2.898
  144   1HB   CYS  21          1HB       CYS  21   1.925   1.431  -5.061
  145   2HB   CYS  21          2HB       CYS  21   3.161   0.257  -5.506
  146    H    LYS  22           H        LYS  22   2.895  -1.711  -1.804
  147    HA   LYS  22           HA       LYS  22   4.959  -3.234  -3.032
  148   1HB   LYS  22          1HB       LYS  22   6.831  -2.410  -1.463
  149   2HB   LYS  22          2HB       LYS  22   6.399  -1.350  -2.805
  150   1HG   LYS  22          1HG       LYS  22   5.173   0.116  -1.406
  151   2HG   LYS  22          2HG       LYS  22   5.091  -1.069  -0.101
  152   1HD   LYS  22          1HD       LYS  22   6.750   0.626   0.466
  153   2HD   LYS  22          2HD       LYS  22   7.568  -0.904   0.153
  154   1HE   LYS  22          1HE       LYS  22   8.825   0.765  -1.038
  155   2HE   LYS  22          2HE       LYS  22   7.856  -0.066  -2.271
  156   1HZ   LYS  22          1HZ       LYS  22   6.139   1.615  -2.007
  157   2HZ   LYS  22          2HZ       LYS  22   7.610   2.339  -2.453
  158   3HZ   LYS  22          3HZ       LYS  22   7.073   2.421  -0.843
  159    H    SER  23           H        SER  23   4.014  -5.061  -2.102
  160    HA   SER  23           HA       SER  23   4.054  -5.191   0.891
  161   1HB   SER  23          1HB       SER  23   1.912  -5.582  -1.091
  162   2HB   SER  23          2HB       SER  23   2.010  -6.847   0.131
  163    HG   SER  23           HG       SER  23   2.214  -4.920   1.622
  164    H    LYS  24           H        LYS  24   3.742  -7.675   1.507
  165    HA   LYS  24           HA       LYS  24   5.230  -9.441  -0.382
  166   1HB   LYS  24          1HB       LYS  24   5.950  -9.114   2.540
  167   2HB   LYS  24          2HB       LYS  24   6.885  -9.925   1.283
  168   1HG   LYS  24          1HG       LYS  24   6.991  -7.662   0.098
  169   2HG   LYS  24          2HG       LYS  24   6.376  -6.961   1.595
  170   1HD   LYS  24          1HD       LYS  24   8.809  -8.754   1.541
  171   2HD   LYS  24          2HD       LYS  24   8.927  -7.006   1.329
  172   1HE   LYS  24          1HE       LYS  24   8.890  -6.784   3.582
  173   2HE   LYS  24          2HE       LYS  24   7.247  -7.454   3.588
  174   1HZ   LYS  24          1HZ       LYS  24   8.219  -9.683   3.493
  175   2HZ   LYS  24          2HZ       LYS  24   8.707  -8.855   4.891
  176   3HZ   LYS  24          3HZ       LYS  24   9.776  -9.016   3.580
  177    H    TRP  25           H        TRP  25   2.503  -9.619   0.147
  178    HA   TRP  25           HA       TRP  25   2.013 -12.269   0.825
  179   1HB   TRP  25          1HB       TRP  25   2.882 -12.036   3.002
  180   2HB   TRP  25          2HB       TRP  25   2.211 -10.423   3.205
  181    HD1  TRP  25           HD       TRP  25   0.535 -10.640   5.117
  182    HE1  TRP  25           1HE      TRP  25  -1.452 -12.190   5.648
  183    HE3  TRP  25           3HE      TRP  25   0.993 -13.993   1.294
  184    HZ2  TRP  25           2HZ      TRP  25  -2.686 -14.546   4.589
  185    HZ3  TRP  25           3HZ      TRP  25  -0.600 -15.879   1.079
  186    HH2  TRP  25           HH       TRP  25  -2.439 -16.159   2.721
  187    HA   PRO  26           HA       PRO  26  -2.080  -9.703   1.434
  188   1HB   PRO  26          1HB       PRO  26  -1.453  -7.054   0.492
  189   2HB   PRO  26          2HB       PRO  26  -2.057  -7.527   2.084
  190   1HG   PRO  26          1HG       PRO  26   0.598  -6.653   1.370
  191   2HG   PRO  26          2HG       PRO  26  -0.030  -7.043   2.972
  192   1HD   PRO  26          1HD       PRO  26   1.847  -8.544   1.449
  193   2HD   PRO  26          2HD       PRO  26   1.089  -9.025   2.984
  194    H    ARG  27           H        ARG  27   0.445  -9.512  -0.885
  195    HA   ARG  27           HA       ARG  27   0.452 -10.071  -3.156
  196   1HB   ARG  27          1HB       ARG  27  -2.554 -10.174  -2.915
  197   2HB   ARG  27          2HB       ARG  27  -1.528 -11.023  -4.066
  198   1HG   ARG  27          1HG       ARG  27  -0.419 -12.050  -1.938
  199   2HG   ARG  27          2HG       ARG  27  -1.914 -11.562  -1.138
  200   1HD   ARG  27          1HD       ARG  27  -1.995 -13.123  -3.725
  201   2HD   ARG  27          2HD       ARG  27  -1.847 -13.949  -2.160
  202    HE   ARG  27           HE       ARG  27  -3.939 -12.712  -1.472
  203   1HH1  ARG  27          1HH2      ARG  27  -4.021 -14.589  -4.071
  204   2HH1  ARG  27          2HH2      ARG  27  -5.226 -13.726  -4.967
  205   1HH2  ARG  27          1HH1      ARG  27  -5.107 -10.920  -2.933
  206   2HH2  ARG  27          2HH1      ARG  27  -5.840 -11.646  -4.323
  207    H    ASN  28           H        ASN  28   1.177  -7.840  -3.406
  208    HA   ASN  28           HA       ASN  28   1.121  -5.772  -4.522
  209   1HB   ASN  28          1HB       ASN  28  -1.169  -7.285  -5.794
  210   2HB   ASN  28          2HB       ASN  28  -0.529  -5.770  -6.432
  211   1HD2  ASN  28          1HD2      ASN  28  -0.319  -8.006  -8.081
  212   2HD2  ASN  28          2HD2      ASN  28   1.294  -8.530  -8.150
  213    H    ILE  29           H        ILE  29   0.519  -4.466  -2.671
  214    HA   ILE  29           HA       ILE  29  -2.202  -3.299  -2.942
  215    HB   ILE  29           HB       ILE  29  -2.608  -3.458  -0.546
  216   1HG1  ILE  29          1HG1      ILE  29  -0.972  -5.094   0.694
  217   2HG1  ILE  29          2HG1      ILE  29   0.158  -4.672  -0.593
  218   1HG2  ILE  29          1HG2      ILE  29  -1.808  -6.258  -1.241
  219   2HG2  ILE  29          2HG2      ILE  29  -2.961  -5.444  -2.298
  220   3HG2  ILE  29          3HG2      ILE  29  -3.330  -5.653  -0.586
  221   1HD1  ILE  29          1HD1      ILE  29   0.404  -2.512   0.146
  222   2HD1  ILE  29          2HD1      ILE  29  -1.260  -2.412   0.725
  223   3HD1  ILE  29          3HD1      ILE  29  -0.041  -3.247   1.686
  224    H    CYS  30           H        CYS  30  -2.072  -1.549  -0.819
  225    HA   CYS  30           HA       CYS  30   0.442  -0.007  -1.361
  226   1HB   CYS  30          1HB       CYS  30  -2.228   0.534  -2.023
  227   2HB   CYS  30          2HB       CYS  30  -1.886   1.572  -0.638
  228    H    VAL  31           H        VAL  31   1.594  -0.160   0.553
  229    HA   VAL  31           HA       VAL  31   0.158  -0.149   3.148
  230    HB   VAL  31           HB       VAL  31   2.518  -0.547   3.976
  231   1HG1  VAL  31          1HG1      VAL  31   1.620  -2.416   1.769
  232   2HG1  VAL  31          2HG1      VAL  31   0.904  -2.376   3.381
  233   3HG1  VAL  31          3HG1      VAL  31   2.594  -2.832   3.178
  234   1HG2  VAL  31          1HG2      VAL  31   4.308  -0.442   2.574
  235   2HG2  VAL  31          2HG2      VAL  31   3.245   0.551   1.575
  236   3HG2  VAL  31          3HG2      VAL  31   3.422  -1.172   1.235
  237    H    TRP  32           H        TRP  32   0.100   1.622   4.466
  238    HA   TRP  32           HA       TRP  32   0.478   4.247   3.742
  239   1HB   TRP  32          1HB       TRP  32  -0.447   4.114   5.823
  240   2HB   TRP  32          2HB       TRP  32   0.414   2.623   6.188
  241    HD1  TRP  32           HD       TRP  32   2.562   2.773   7.612
  242    HE1  TRP  32           1HE      TRP  32   3.796   4.696   8.798
  243    HE3  TRP  32           3HE      TRP  32   0.123   6.766   5.573
  244    HZ2  TRP  32           2HZ      TRP  32   3.753   7.563   8.872
  245    HZ3  TRP  32           3HZ      TRP  32   0.735   9.079   6.214
  246    HH2  TRP  32           HH       TRP  32   2.546   9.482   7.863
  247    H    ASP  33           H        ASP  33   2.226   5.724   3.716
  248    HA   ASP  33           HA       ASP  33   4.936   4.479   3.670
  249   1HB   ASP  33          1HB       ASP  33   3.524   6.168   1.975
  250   2HB   ASP  33          2HB       ASP  33   4.632   7.262   2.805
  251    HD2  ASP  33           HD2      ASP  33   6.613   6.002   0.154
  252    H    GLY  34           H        GLY  34   5.256   4.503   6.011
  253   1HA   GLY  34          1HA       GLY  34   5.899   7.229   7.032
  254   2HA   GLY  34          2HA       GLY  34   4.965   6.121   8.035
  255    H    SER  35           H        SER  35   7.254   4.534   6.075
  256    HA   SER  35           HA       SER  35   8.854   3.852   8.457
  257   1HB   SER  35          1HB       SER  35   9.880   2.254   6.830
  258   2HB   SER  35          2HB       SER  35   8.123   2.134   6.872
  259    HG   SER  35           HG       SER  35   8.057   2.818   4.881
  260    H    VAL  36           H        VAL  36   9.491   6.357   8.357
  261    HA   VAL  36           HA       VAL  36  11.345   7.278   6.377
  262    HB   VAL  36           HB       VAL  36  10.129   8.727   7.941
  263   1HG1  VAL  36          1HG1      VAL  36  11.468   8.583  10.346
  264   2HG1  VAL  36          2HG1      VAL  36  11.358   6.886   9.879
  265   3HG1  VAL  36          3HG1      VAL  36   9.894   7.856  10.027
  266   1HG2  VAL  36          1HG2      VAL  36  12.956   8.814   7.448
  267   2HG2  VAL  36          2HG2      VAL  36  12.644   9.462   9.058
  268   3HG2  VAL  36          3HG2      VAL  36  11.842  10.165   7.652
  Start of MODEL    7
    1   1H    ASP   1          1HT       ASP   1 -10.788   8.277  -5.317
    2   2H    ASP   1          2HT       ASP   1 -12.120   7.583  -6.109
    3   3H    ASP   1          3HT       ASP   1 -10.558   6.974  -6.377
    4    HA   ASP   1           HA       ASP   1 -11.918   6.908  -3.731
    5   1HB   ASP   1          1HB       ASP   1 -12.137   4.432  -4.446
    6   2HB   ASP   1          2HB       ASP   1 -13.226   5.587  -5.213
    7    HD2  ASP   1           HD2      ASP   1 -11.567   5.287  -8.270
    8    H    CYS   2           H        CYS   2  -9.672   7.621  -3.051
    9    HA   CYS   2           HA       CYS   2  -7.337   6.057  -3.594
   10   1HB   CYS   2          1HB       CYS   2  -6.437   7.757  -2.404
   11   2HB   CYS   2          2HB       CYS   2  -8.063   8.404  -2.282
   12    H    VAL   3           H        VAL   3  -6.182   4.871  -1.674
   13    HA   VAL   3           HA       VAL   3  -8.174   3.162  -0.222
   14    HB   VAL   3           HB       VAL   3  -5.578   2.246  -1.491
   15   1HG1  VAL   3          1HG1      VAL   3  -6.900   0.038  -1.383
   16   2HG1  VAL   3          2HG1      VAL   3  -7.998   0.891  -0.294
   17   3HG1  VAL   3          3HG1      VAL   3  -6.302   0.685   0.143
   18   1HG2  VAL   3          1HG2      VAL   3  -8.369   1.936  -2.632
   19   2HG2  VAL   3          2HG2      VAL   3  -6.840   1.517  -3.403
   20   3HG2  VAL   3          3HG2      VAL   3  -7.260   3.209  -3.143
   21    H    ARG   4           H        ARG   4  -6.839   1.806   1.519
   22    HA   ARG   4           HA       ARG   4  -4.894   3.682   2.827
   23   1HB   ARG   4          1HB       ARG   4  -5.924   2.626   4.950
   24   2HB   ARG   4          2HB       ARG   4  -6.926   3.759   4.042
   25   1HG   ARG   4          1HG       ARG   4  -8.062   1.904   2.919
   26   2HG   ARG   4          2HG       ARG   4  -7.019   0.742   3.738
   27   1HD   ARG   4          1HD       ARG   4  -8.242   2.528   5.673
   28   2HD   ARG   4          2HD       ARG   4  -9.478   1.720   4.689
   29    HE   ARG   4           HE       ARG   4  -7.261   0.174   5.971
   30   1HH1  ARG   4          1HH1      ARG   4 -10.510   1.040   6.222
   31   2HH1  ARG   4          2HH1      ARG   4 -11.097  -0.575   6.438
   32   1HH2  ARG   4          1HH2      ARG   4  -8.030  -2.060   5.804
   33   2HH2  ARG   4          2HH2      ARG   4  -9.694  -2.330   6.202
   34    H    PHE   5           H        PHE   5  -4.048   2.137   4.881
   35    HA   PHE   5           HA       PHE   5  -1.930   0.621   4.034
   36   1HB   PHE   5          1HB       PHE   5  -3.189   1.218   6.400
   37   2HB   PHE   5          2HB       PHE   5  -3.365  -0.535   6.336
   38    HD1  PHE   5           1HD      PHE   5  -1.528   1.443   8.097
   39    HD2  PHE   5           2HD      PHE   5  -0.864  -1.181   4.765
   40    HE1  PHE   5           1HE      PHE   5   0.849   1.188   8.767
   41    HE2  PHE   5           2HE      PHE   5   1.508  -1.437   5.434
   42    HZ   PHE   5           HZ       PHE   5   2.363  -0.249   7.431
   43    H    TRP   6           H        TRP   6  -1.609  -1.366   3.102
   44    HA   TRP   6           HA       TRP   6  -2.094  -3.468   2.149
   45   1HB   TRP   6          1HB       TRP   6  -4.175  -3.519   4.350
   46   2HB   TRP   6          2HB       TRP   6  -3.348  -4.901   3.628
   47    HD1  TRP   6           HD       TRP   6  -3.186  -2.853   6.590
   48    HE1  TRP   6           1HE      TRP   6  -0.847  -2.907   7.673
   49    HE3  TRP   6           3HE      TRP   6  -0.486  -4.885   2.763
   50    HZ2  TRP   6           2HZ      TRP   6   1.814  -3.703   7.007
   51    HZ3  TRP   6           3HZ      TRP   6   1.947  -5.280   3.014
   52    HH2  TRP   6           HH       TRP   6   3.101  -4.693   5.129
   53    H    GLY   7           H        GLY   7  -3.159  -1.602   0.605
   54   1HA   GLY   7          1HA       GLY   7  -5.950  -2.537   0.082
   55   2HA   GLY   7          2HA       GLY   7  -5.416  -0.887  -0.253
   56    H    LYS   8           H        LYS   8  -6.048  -3.729  -1.748
   57    HA   LYS   8           HA       LYS   8  -4.094  -4.523  -3.463
   58   1HB   LYS   8          1HB       LYS   8  -6.871  -4.558  -3.375
   59   2HB   LYS   8          2HB       LYS   8  -6.524  -3.793  -4.926
   60   1HG   LYS   8          1HG       LYS   8  -5.283  -5.655  -5.698
   61   2HG   LYS   8          2HG       LYS   8  -5.110  -6.318  -4.073
   62   1HD   LYS   8          1HD       LYS   8  -7.405  -6.964  -3.984
   63   2HD   LYS   8          2HD       LYS   8  -7.805  -6.003  -5.407
   64   1HE   LYS   8          1HE       LYS   8  -6.490  -7.484  -6.838
   65   2HE   LYS   8          2HE       LYS   8  -5.947  -8.411  -5.423
   66   1HZ   LYS   8          1HZ       LYS   8  -8.702  -8.138  -6.482
   67   2HZ   LYS   8          2HZ       LYS   8  -8.393  -8.678  -4.900
   68   3HZ   LYS   8          3HZ       LYS   8  -7.815  -9.562  -6.231
   69    H    CYS   9           H        CYS   9  -2.650  -3.454  -4.732
   70    HA   CYS   9           HA       CYS   9  -3.475  -1.017  -6.208
   71   1HB   CYS   9          1HB       CYS   9  -2.758  -0.032  -4.193
   72   2HB   CYS   9          2HB       CYS   9  -1.515  -1.251  -3.935
   73    H    SER  10           H        SER  10  -2.641  -1.231  -8.249
   74    HA   SER  10           HA       SER  10   0.110  -2.178  -8.669
   75   1HB   SER  10          1HB       SER  10  -0.545  -4.142  -9.946
   76   2HB   SER  10          2HB       SER  10  -1.323  -4.225  -8.367
   77    HG   SER  10           HG       SER  10  -3.220  -3.874  -9.274
   78    H    GLN  11           H        GLN  11  -1.722   0.171  -9.278
   79    HA   GLN  11           HA       GLN  11  -0.892   0.508 -12.088
   80   1HB   GLN  11          1HB       GLN  11  -3.550  -0.330 -11.261
   81   2HB   GLN  11          2HB       GLN  11  -3.616   1.213 -12.114
   82   1HG   GLN  11          1HG       GLN  11  -2.748   0.321 -14.080
   83   2HG   GLN  11          2HG       GLN  11  -1.924  -0.993 -13.239
   84   1HE2  GLN  11          1HE2      GLN  11  -5.351  -0.053 -12.812
   85   2HE2  GLN  11          2HE2      GLN  11  -5.989  -1.516 -13.390
   86    H    THR  12           H        THR  12   0.107   2.482 -11.793
   87    HA   THR  12           HA       THR  12   0.436   4.711 -11.043
   88    HB   THR  12           HB       THR  12  -1.516   6.092 -11.705
   89    HG1  THR  12           1HG      THR  12  -3.423   5.252 -11.632
   90   1HG2  THR  12          1HG2      THR  12  -0.021   5.157 -13.442
   91   2HG2  THR  12          2HG2      THR  12  -1.680   5.300 -14.023
   92   3HG2  THR  12          3HG2      THR  12  -1.050   3.726 -13.542
   93    H    SER  13           H        SER  13   0.212   3.154  -8.794
   94    HA   SER  13           HA       SER  13  -0.505   3.142  -6.535
   95   1HB   SER  13          1HB       SER  13   0.715   5.092  -6.278
   96   2HB   SER  13          2HB       SER  13  -0.196   5.943  -7.522
   97    HG   SER  13           HG       SER  13  -1.645   6.515  -6.079
   98    H    ASP  14           H        ASP  14  -2.551   2.056  -6.727
   99    HA   ASP  14           HA       ASP  14  -4.978   3.584  -7.378
  100   1HB   ASP  14          1HB       ASP  14  -4.188   0.992  -7.624
  101   2HB   ASP  14          2HB       ASP  14  -5.105   0.895  -6.120
  102    HD2  ASP  14           HD2      ASP  14  -7.068   1.739  -9.447
  103    H    CYS  15           H        CYS  15  -3.073   3.635  -4.735
  104    HA   CYS  15           HA       CYS  15  -5.319   3.613  -2.757
  105   1HB   CYS  15          1HB       CYS  15  -3.442   3.422  -1.128
  106   2HB   CYS  15          2HB       CYS  15  -3.412   2.128  -2.329
  107    H    CYS  16           H        CYS  16  -4.160   5.224  -0.827
  108    HA   CYS  16           HA       CYS  16  -4.657   7.903  -1.887
  109   1HB   CYS  16          1HB       CYS  16  -4.603   6.499   0.607
  110   2HB   CYS  16          2HB       CYS  16  -3.573   7.923   0.733
  111    HA   PRO  17           HA       PRO  17  -0.526   9.117  -2.835
  112   1HB   PRO  17          1HB       PRO  17  -0.844  11.713  -1.631
  113   2HB   PRO  17          2HB       PRO  17  -0.947  11.292  -3.347
  114   1HG   PRO  17          1HG       PRO  17  -3.085  12.044  -1.593
  115   2HG   PRO  17          2HG       PRO  17  -3.191  11.599  -3.298
  116   1HD   PRO  17          1HD       PRO  17  -4.066  10.071  -1.009
  117   2HD   PRO  17          2HD       PRO  17  -4.179   9.626  -2.730
  118    H    HIS  18           H        HIS  18  -1.752   8.971   0.353
  119    HA   HIS  18           HA       HIS  18   0.758   9.825   1.644
  120   1HB   HIS  18          1HB       HIS  18  -2.015   9.603   2.245
  121   2HB   HIS  18          2HB       HIS  18  -1.121   8.650   3.428
  122    HD1  HIS  18           1HD      HIS  18  -0.153  12.180   1.850
  123    HD2  HIS  18           2HD      HIS  18  -0.801  10.135   5.429
  124    HE1  HIS  18           1HE      HIS  18  -0.018  12.459   6.066
  125    HE2  HIS  18           2HE      HIS  18  -0.020  12.459   6.065
  126    H    LEU  19           H        LEU  19  -0.049   7.103   0.051
  127    HA   LEU  19           HA       LEU  19   1.497   5.362   1.941
  128   1HB   LEU  19          1HB       LEU  19  -0.888   4.621   0.212
  129   2HB   LEU  19          2HB       LEU  19  -0.041   3.547   1.329
  130    HG   LEU  19           HG       LEU  19  -0.604   5.604   2.999
  131   1HD1  LEU  19          1HD1      LEU  19  -2.213   6.046   0.661
  132   2HD1  LEU  19          2HD1      LEU  19  -3.268   5.618   2.008
  133   3HD1  LEU  19          3HD1      LEU  19  -2.163   6.985   2.151
  134   1HD2  LEU  19          1HD2      LEU  19  -1.712   2.980   2.386
  135   2HD2  LEU  19          2HD2      LEU  19  -2.933   4.050   3.078
  136   3HD2  LEU  19          3HD2      LEU  19  -1.436   3.734   3.956
  137    H    ALA  20           H        ALA  20   2.123   3.251   0.547
  138    HA   ALA  20           HA       ALA  20   2.965   4.121  -2.191
  139   1HB   ALA  20          1HB       ALA  20   4.585   3.134   0.149
  140   2HB   ALA  20          2HB       ALA  20   5.157   2.855  -1.496
  141   3HB   ALA  20          3HB       ALA  20   4.905   4.503  -0.917
  142    H    CYS  21           H        CYS  21   3.179   2.347  -3.679
  143    HA   CYS  21           HA       CYS  21   1.590  -0.013  -2.973
  144   1HB   CYS  21          1HB       CYS  21   1.878   1.495  -5.179
  145   2HB   CYS  21          2HB       CYS  21   3.103   0.279  -5.533
  146    H    LYS  22           H        LYS  22   3.081  -0.937  -1.360
  147    HA   LYS  22           HA       LYS  22   5.083  -2.720  -2.596
  148   1HB   LYS  22          1HB       LYS  22   6.870  -1.841  -1.075
  149   2HB   LYS  22          2HB       LYS  22   6.319  -0.634  -2.237
  150   1HG   LYS  22          1HG       LYS  22   4.635   0.056  -0.374
  151   2HG   LYS  22          2HG       LYS  22   5.717  -0.820   0.707
  152   1HD   LYS  22          1HD       LYS  22   7.229   0.888  -1.078
  153   2HD   LYS  22          2HD       LYS  22   6.025   1.821  -0.192
  154   1HE   LYS  22          1HE       LYS  22   7.844   1.823   1.304
  155   2HE   LYS  22          2HE       LYS  22   6.901   0.434   1.882
  156   1HZ   LYS  22          1HZ       LYS  22   8.208  -1.026   0.517
  157   2HZ   LYS  22          2HZ       LYS  22   9.260  -0.118   1.493
  158   3HZ   LYS  22          3HZ       LYS  22   9.065   0.277  -0.148
  159    H    SER  23           H        SER  23   3.615  -4.348  -1.721
  160    HA   SER  23           HA       SER  23   3.119  -4.399   1.179
  161   1HB   SER  23          1HB       SER  23   2.427  -6.844  -0.089
  162   2HB   SER  23          2HB       SER  23   1.348  -5.552   0.420
  163    HG   SER  23           HG       SER  23   2.392  -6.158  -2.083
  164    H    LYS  24           H        LYS  24   3.649  -6.391   2.415
  165    HA   LYS  24           HA       LYS  24   6.216  -7.670   1.531
  166   1HB   LYS  24          1HB       LYS  24   5.478  -7.010   4.389
  167   2HB   LYS  24          2HB       LYS  24   7.079  -7.323   3.718
  168   1HG   LYS  24          1HG       LYS  24   6.228  -5.168   2.220
  169   2HG   LYS  24          2HG       LYS  24   5.545  -4.818   3.809
  170   1HD   LYS  24          1HD       LYS  24   7.616  -3.960   4.238
  171   2HD   LYS  24          2HD       LYS  24   8.044  -5.650   4.510
  172   1HE   LYS  24          1HE       LYS  24   8.462  -5.686   1.911
  173   2HE   LYS  24          2HE       LYS  24   8.605  -3.928   2.109
  174   1HZ   LYS  24          1HZ       LYS  24  10.721  -4.547   2.650
  175   2HZ   LYS  24          2HZ       LYS  24  10.253  -6.066   3.254
  176   3HZ   LYS  24          3HZ       LYS  24  10.006  -4.666   4.184
  177    H    TRP  25           H        TRP  25   3.379  -8.514   1.333
  178    HA   TRP  25           HA       TRP  25   3.538 -11.236   2.026
  179   1HB   TRP  25          1HB       TRP  25   3.638 -10.794   4.311
  180   2HB   TRP  25          2HB       TRP  25   2.632  -9.359   4.186
  181    HD1  TRP  25           HD       TRP  25   0.683  -9.959   5.762
  182    HE1  TRP  25           1HE      TRP  25  -1.075 -11.842   5.827
  183    HE3  TRP  25           3HE      TRP  25   2.553 -13.039   2.141
  184    HZ2  TRP  25           2HZ      TRP  25  -1.616 -14.327   4.519
  185    HZ3  TRP  25           3HZ      TRP  25   1.395 -15.157   1.572
  186    HH2  TRP  25           HH       TRP  25  -0.685 -15.803   2.756
  187    HA   PRO  26           HA       PRO  26  -1.165  -9.997   1.388
  188   1HB   PRO  26          1HB       PRO  26  -1.121  -7.230   0.603
  189   2HB   PRO  26          2HB       PRO  26  -1.925  -7.943   2.005
  190   1HG   PRO  26          1HG       PRO  26   0.493  -6.340   1.923
  191   2HG   PRO  26          2HG       PRO  26  -0.414  -6.897   3.332
  192   1HD   PRO  26          1HD       PRO  26   2.127  -7.816   2.501
  193   2HD   PRO  26          2HD       PRO  26   1.086  -8.573   3.730
  194    H    ARG  27           H        ARG  27   1.549  -8.481  -0.231
  195    HA   ARG  27           HA       ARG  27   2.233  -8.474  -2.478
  196   1HB   ARG  27          1HB       ARG  27   0.400 -10.835  -2.188
  197   2HB   ARG  27          2HB       ARG  27   1.049 -10.431  -3.776
  198   1HG   ARG  27          1HG       ARG  27   2.639 -11.010  -1.263
  199   2HG   ARG  27          2HG       ARG  27   2.546 -12.015  -2.709
  200   1HD   ARG  27          1HD       ARG  27   3.904  -9.332  -2.376
  201   2HD   ARG  27          2HD       ARG  27   4.577 -10.843  -3.020
  202    HE   ARG  27           HE       ARG  27   2.592  -9.123  -4.447
  203   1HH1  ARG  27          1HH2      ARG  27   2.528 -12.090  -5.081
  204   2HH1  ARG  27          2HH2      ARG  27   3.587 -12.168  -6.451
  205   1HH2  ARG  27          1HH1      ARG  27   4.972  -9.037  -5.892
  206   2HH2  ARG  27          2HH1      ARG  27   4.972 -10.436  -6.910
  207    H    ASN  28           H        ASN  28   1.666  -6.908  -3.881
  208    HA   ASN  28           HA       ASN  28   0.384  -5.715  -5.465
  209   1HB   ASN  28          1HB       ASN  28  -0.522  -8.255  -5.552
  210   2HB   ASN  28          2HB       ASN  28  -1.989  -7.446  -5.003
  211   1HD2  ASN  28          1HD2      ASN  28  -3.257  -7.187  -6.860
  212   2HD2  ASN  28          2HD2      ASN  28  -2.702  -6.534  -8.325
  213    H    ILE  29           H        ILE  29   0.442  -4.435  -3.082
  214    HA   ILE  29           HA       ILE  29  -2.262  -3.263  -2.938
  215    HB   ILE  29           HB       ILE  29  -2.572  -3.640  -0.607
  216   1HG1  ILE  29          1HG1      ILE  29  -0.751  -5.201   0.515
  217   2HG1  ILE  29          2HG1      ILE  29   0.292  -4.564  -0.750
  218   1HG2  ILE  29          1HG2      ILE  29  -3.140  -5.532  -2.150
  219   2HG2  ILE  29          2HG2      ILE  29  -2.727  -6.083  -0.527
  220   3HG2  ILE  29          3HG2      ILE  29  -1.552  -6.231  -1.833
  221   1HD1  ILE  29          1HD1      ILE  29  -1.304  -2.524   0.669
  222   2HD1  ILE  29          2HD1      ILE  29  -0.102  -3.344   1.663
  223   3HD1  ILE  29          3HD1      ILE  29   0.395  -2.497   0.198
  224    H    CYS  30           H        CYS  30  -2.045  -1.600  -0.871
  225    HA   CYS  30           HA       CYS  30   0.511  -0.101  -1.326
  226   1HB   CYS  30          1HB       CYS  30  -1.730   0.633  -2.410
  227   2HB   CYS  30          2HB       CYS  30  -2.199   1.103  -0.775
  228    H    VAL  31           H        VAL  31   1.615   0.003   0.593
  229    HA   VAL  31           HA       VAL  31   0.082  -0.175   3.147
  230    HB   VAL  31           HB       VAL  31   2.416  -0.577   4.047
  231   1HG1  VAL  31          1HG1      VAL  31   1.543  -2.380   1.776
  232   2HG1  VAL  31          2HG1      VAL  31   0.851  -2.403   3.397
  233   3HG1  VAL  31          3HG1      VAL  31   2.541  -2.842   3.154
  234   1HG2  VAL  31          1HG2      VAL  31   3.262   0.616   1.780
  235   2HG2  VAL  31          2HG2      VAL  31   3.344  -1.068   1.263
  236   3HG2  VAL  31          3HG2      VAL  31   4.257  -0.534   2.675
  237    H    TRP  32           H        TRP  32   0.012   1.525   4.550
  238    HA   TRP  32           HA       TRP  32   0.432   4.184   3.888
  239   1HB   TRP  32          1HB       TRP  32  -0.647   4.008   5.895
  240   2HB   TRP  32          2HB       TRP  32   0.151   2.486   6.268
  241    HD1  TRP  32           HD       TRP  32   2.035   2.534   7.993
  242    HE1  TRP  32           1HE      TRP  32   3.288   4.382   9.272
  243    HE3  TRP  32           3HE      TRP  32   0.210   6.649   5.587
  244    HZ2  TRP  32           2HZ      TRP  32   3.486   7.247   9.275
  245    HZ3  TRP  32           3HZ      TRP  32   0.944   8.923   6.242
  246    HH2  TRP  32           HH       TRP  32   2.580   9.228   8.082
  247    H    ASP  33           H        ASP  33   2.220   5.669   4.318
  248    HA   ASP  33           HA       ASP  33   4.852   4.500   3.842
  249   1HB   ASP  33          1HB       ASP  33   4.025   6.620   2.847
  250   2HB   ASP  33          2HB       ASP  33   3.955   7.337   4.457
  251    HD2  ASP  33           HD2      ASP  33   7.341   7.427   2.636
  252    H    GLY  34           H        GLY  34   4.885   7.172   6.036
  253   1HA   GLY  34          1HA       GLY  34   5.654   7.367   8.237
  254   2HA   GLY  34          2HA       GLY  34   4.871   5.816   8.539
  255    H    SER  35           H        SER  35   6.113   3.893   8.345
  256    HA   SER  35           HA       SER  35   8.997   4.285   8.773
  257   1HB   SER  35          1HB       SER  35   8.891   2.073   9.589
  258   2HB   SER  35          2HB       SER  35   7.290   2.705   9.956
  259    HG   SER  35           HG       SER  35   6.459   1.595   8.273
  260    H    VAL  36           H        VAL  36   9.023   5.130   6.353
  261    HA   VAL  36           HA       VAL  36   9.172   2.874   4.412
  262    HB   VAL  36           HB       VAL  36   7.858   4.944   3.933
  263   1HG1  VAL  36          1HG1      VAL  36  10.255   6.559   3.396
  264   2HG1  VAL  36          2HG1      VAL  36   9.996   6.234   5.111
  265   3HG1  VAL  36          3HG1      VAL  36   8.736   7.025   4.163
  266   1HG2  VAL  36          1HG2      VAL  36  10.063   3.881   2.291
  267   2HG2  VAL  36          2HG2      VAL  36   9.520   5.489   1.807
  268   3HG2  VAL  36          3HG2      VAL  36   8.373   4.150   1.865
  Start of MODEL    8
    1   1H    ASP   1          1HT       ASP   1 -12.378   8.309  -3.305
    2   2H    ASP   1          2HT       ASP   1 -13.016   7.592  -4.709
    3   3H    ASP   1          3HT       ASP   1 -11.335   7.752  -4.521
    4    HA   ASP   1           HA       ASP   1 -12.761   6.239  -2.461
    5   1HB   ASP   1          1HB       ASP   1 -12.586   4.254  -4.078
    6   2HB   ASP   1          2HB       ASP   1 -13.856   5.427  -4.432
    7    HD2  ASP   1           HD2      ASP   1 -10.765   5.219  -6.887
    8    H    CYS   2           H        CYS   2 -10.440   7.492  -1.982
    9    HA   CYS   2           HA       CYS   2  -8.002   6.362  -2.888
   10   1HB   CYS   2          1HB       CYS   2  -8.992   8.123  -0.846
   11   2HB   CYS   2          2HB       CYS   2  -7.823   7.025  -0.119
   12    H    VAL   3           H        VAL   3  -6.574   4.884  -1.677
   13    HA   VAL   3           HA       VAL   3  -8.119   2.727  -0.283
   14    HB   VAL   3           HB       VAL   3  -5.463   2.441  -1.703
   15   1HG1  VAL   3          1HG1      VAL   3  -7.700   0.439  -1.427
   16   2HG1  VAL   3          2HG1      VAL   3  -6.508   0.664  -0.148
   17   3HG1  VAL   3          3HG1      VAL   3  -5.994   0.139  -1.751
   18   1HG2  VAL   3          1HG2      VAL   3  -7.380   1.476  -3.452
   19   2HG2  VAL   3          2HG2      VAL   3  -6.546   3.020  -3.622
   20   3HG2  VAL   3          3HG2      VAL   3  -8.125   2.955  -2.844
   21    H    ARG   4           H        ARG   4  -7.348   2.078   1.731
   22    HA   ARG   4           HA       ARG   4  -5.215   3.765   2.928
   23   1HB   ARG   4          1HB       ARG   4  -6.200   2.808   5.039
   24   2HB   ARG   4          2HB       ARG   4  -7.370   3.669   4.039
   25   1HG   ARG   4          1HG       ARG   4  -8.537   1.776   3.543
   26   2HG   ARG   4          2HG       ARG   4  -7.079   0.790   3.424
   27   1HD   ARG   4          1HD       ARG   4  -7.958  -0.087   5.387
   28   2HD   ARG   4          2HD       ARG   4  -7.045   1.267   6.081
   29    HE   ARG   4           HE       ARG   4  -9.599   2.229   5.246
   30   1HH1  ARG   4          1HH1      ARG   4  -8.166   0.078   7.532
   31   2HH1  ARG   4          2HH1      ARG   4  -9.357   0.371   8.753
   32   1HH2  ARG   4          1HH2      ARG   4 -11.130   2.668   6.853
   33   2HH2  ARG   4          2HH2      ARG   4 -11.033   1.836   8.370
   34    H    PHE   5           H        PHE   5  -4.353   2.191   4.962
   35    HA   PHE   5           HA       PHE   5  -2.179   0.767   4.102
   36   1HB   PHE   5          1HB       PHE   5  -3.477   1.264   6.466
   37   2HB   PHE   5          2HB       PHE   5  -3.611  -0.490   6.351
   38    HD1  PHE   5           1HD      PHE   5  -1.168  -1.266   4.960
   39    HD2  PHE   5           2HD      PHE   5  -1.753   1.706   8.004
   40    HE1  PHE   5           1HE      PHE   5   1.204  -1.494   5.636
   41    HE2  PHE   5           2HE      PHE   5   0.623   1.477   8.679
   42    HZ   PHE   5           HZ       PHE   5   2.100  -0.121   7.494
   43    H    TRP   6           H        TRP   6  -1.766  -1.221   3.200
   44    HA   TRP   6           HA       TRP   6  -2.190  -3.271   2.117
   45   1HB   TRP   6          1HB       TRP   6  -4.271  -3.497   4.314
   46   2HB   TRP   6          2HB       TRP   6  -3.381  -4.812   3.541
   47    HD1  TRP   6           HD       TRP   6  -3.300  -2.766   6.540
   48    HE1  TRP   6           1HE      TRP   6  -0.976  -2.805   7.655
   49    HE3  TRP   6           3HE      TRP   6  -0.542  -4.798   2.754
   50    HZ2  TRP   6           2HZ      TRP   6   1.699  -3.590   7.025
   51    HZ3  TRP   6           3HZ      TRP   6   1.890  -5.180   3.036
   52    HH2  TRP   6           HH       TRP   6   3.013  -4.581   5.165
   53    H    GLY   7           H        GLY   7  -3.105  -1.999   0.337
   54   1HA   GLY   7          1HA       GLY   7  -5.937  -2.747  -0.145
   55   2HA   GLY   7          2HA       GLY   7  -5.419  -1.087  -0.462
   56    H    LYS   8           H        LYS   8  -5.920  -3.966  -1.950
   57    HA   LYS   8           HA       LYS   8  -3.909  -4.737  -3.599
   58   1HB   LYS   8          1HB       LYS   8  -6.746  -4.649  -3.650
   59   2HB   LYS   8          2HB       LYS   8  -6.194  -4.161  -5.252
   60   1HG   LYS   8          1HG       LYS   8  -6.013  -6.390  -5.645
   61   2HG   LYS   8          2HG       LYS   8  -4.523  -6.270  -4.708
   62   1HD   LYS   8          1HD       LYS   8  -5.558  -7.041  -2.734
   63   2HD   LYS   8          2HD       LYS   8  -7.176  -6.709  -3.348
   64   1HE   LYS   8          1HE       LYS   8  -5.452  -8.684  -4.821
   65   2HE   LYS   8          2HE       LYS   8  -6.287  -9.194  -3.341
   66   1HZ   LYS   8          1HZ       LYS   8  -7.398  -8.393  -5.906
   67   2HZ   LYS   8          2HZ       LYS   8  -8.204  -7.788  -4.537
   68   3HZ   LYS   8          3HZ       LYS   8  -8.018  -9.463  -4.746
   69    H    CYS   9           H        CYS   9  -2.473  -3.726  -4.896
   70    HA   CYS   9           HA       CYS   9  -3.250  -1.337  -6.467
   71   1HB   CYS   9          1HB       CYS   9  -2.576  -0.246  -4.489
   72   2HB   CYS   9          2HB       CYS   9  -1.371  -1.473  -4.118
   73    H    SER  10           H        SER  10  -2.500  -1.934  -8.492
   74    HA   SER  10           HA       SER  10   0.327  -2.637  -8.828
   75   1HB   SER  10          1HB       SER  10   0.036  -4.877  -9.442
   76   2HB   SER  10          2HB       SER  10  -1.114  -4.703  -8.120
   77    HG   SER  10           HG       SER  10  -2.528  -3.996 -10.067
   78    H    GLN  11           H        GLN  11  -1.350  -0.507  -9.832
   79    HA   GLN  11           HA       GLN  11  -0.972  -0.968 -12.742
   80   1HB   GLN  11          1HB       GLN  11  -3.350  -1.574 -11.783
   81   2HB   GLN  11          2HB       GLN  11  -3.574   0.174 -11.756
   82   1HG   GLN  11          1HG       GLN  11  -3.814   0.269 -13.998
   83   2HG   GLN  11          2HG       GLN  11  -2.381  -0.731 -14.259
   84   1HE2  GLN  11          1HE2      GLN  11  -2.965  -2.557 -15.440
   85   2HE2  GLN  11          2HE2      GLN  11  -4.384  -3.456 -15.207
   86    H    THR  12           H        THR  12  -2.682   1.471 -10.755
   87    HA   THR  12           HA       THR  12  -0.574   3.455 -11.035
   88    HB   THR  12           HB       THR  12  -1.297   3.445 -13.329
   89    HG1  THR  12           1HG      THR  12  -1.074   5.517 -12.744
   90   1HG2  THR  12          1HG2      THR  12  -3.478   2.264 -12.784
   91   2HG2  THR  12          2HG2      THR  12  -3.594   3.521 -14.015
   92   3HG2  THR  12          3HG2      THR  12  -4.137   3.847 -12.369
   93    H    SER  13           H        SER  13  -0.849   4.619  -9.184
   94    HA   SER  13           HA       SER  13  -1.916   5.614  -7.321
   95   1HB   SER  13          1HB       SER  13  -2.525   6.931  -9.487
   96   2HB   SER  13          2HB       SER  13  -4.119   6.205  -9.295
   97    HG   SER  13           HG       SER  13  -2.710   7.755  -7.371
   98    H    ASP  14           H        ASP  14  -2.328   3.075  -6.862
   99    HA   ASP  14           HA       ASP  14  -5.233   2.439  -6.874
  100   1HB   ASP  14          1HB       ASP  14  -2.650   1.027  -6.734
  101   2HB   ASP  14          2HB       ASP  14  -3.884   0.364  -5.661
  102    HD2  ASP  14           HD2      ASP  14  -4.177  -0.600  -9.329
  103    H    CYS  15           H        CYS  15  -3.828   4.513  -5.105
  104    HA   CYS  15           HA       CYS  15  -5.290   3.978  -2.667
  105   1HB   CYS  15          1HB       CYS  15  -3.156   3.778  -1.278
  106   2HB   CYS  15          2HB       CYS  15  -3.546   2.377  -2.275
  107    H    CYS  16           H        CYS  16  -4.264   5.647  -0.879
  108    HA   CYS  16           HA       CYS  16  -4.363   8.258  -2.191
  109   1HB   CYS  16          1HB       CYS  16  -4.643   7.093   0.429
  110   2HB   CYS  16          2HB       CYS  16  -3.574   8.494   0.501
  111    HA   PRO  17           HA       PRO  17  -0.121   9.138  -2.843
  112   1HB   PRO  17          1HB       PRO  17  -0.294  11.766  -1.677
  113   2HB   PRO  17          2HB       PRO  17  -0.318  11.335  -3.392
  114   1HG   PRO  17          1HG       PRO  17  -2.503  12.259  -1.769
  115   2HG   PRO  17          2HG       PRO  17  -2.522  11.848  -3.485
  116   1HD   PRO  17          1HD       PRO  17  -3.711  10.382  -1.319
  117   2HD   PRO  17          2HD       PRO  17  -3.671   9.930  -3.041
  118    H    HIS  18           H        HIS  18  -1.521   9.169   0.282
  119    HA   HIS  18           HA       HIS  18   0.977   9.828   1.688
  120   1HB   HIS  18          1HB       HIS  18  -1.830   9.798   2.155
  121   2HB   HIS  18          2HB       HIS  18  -1.062   8.790   3.382
  122    HD1  HIS  18           1HD      HIS  18   0.027  12.311   1.847
  123    HD2  HIS  18           2HD      HIS  18  -0.530  10.180   5.391
  124    HE1  HIS  18           1HE      HIS  18   0.343  12.464   6.059
  125    HE2  HIS  18           2HE      HIS  18   0.340  12.463   6.060
  126    H    LEU  19           H        LEU  19   0.429   7.286  -0.052
  127    HA   LEU  19           HA       LEU  19   1.624   5.385   1.919
  128   1HB   LEU  19          1HB       LEU  19  -0.720   4.834   0.068
  129   2HB   LEU  19          2HB       LEU  19   0.022   3.668   1.165
  130    HG   LEU  19           HG       LEU  19  -0.495   5.712   2.886
  131   1HD1  LEU  19          1HD1      LEU  19  -2.639   6.683   2.403
  132   2HD1  LEU  19          2HD1      LEU  19  -1.649   6.912   0.962
  133   3HD1  LEU  19          3HD1      LEU  19  -2.865   5.637   1.002
  134   1HD2  LEU  19          1HD2      LEU  19  -1.432   3.099   2.363
  135   2HD2  LEU  19          2HD2      LEU  19  -2.872   4.086   2.609
  136   3HD2  LEU  19          3HD2      LEU  19  -1.626   4.018   3.855
  137    H    ALA  20           H        ALA  20   2.052   3.223   0.454
  138    HA   ALA  20           HA       ALA  20   3.105   4.023  -2.220
  139   1HB   ALA  20          1HB       ALA  20   4.822   4.301  -0.377
  140   2HB   ALA  20          2HB       ALA  20   4.700   2.566  -0.089
  141   3HB   ALA  20          3HB       ALA  20   5.297   3.162  -1.637
  142    H    CYS  21           H        CYS  21   3.478   2.120  -3.603
  143    HA   CYS  21           HA       CYS  21   1.668  -0.113  -2.921
  144   1HB   CYS  21          1HB       CYS  21   2.033   1.267  -5.157
  145   2HB   CYS  21          2HB       CYS  21   3.316   0.088  -5.422
  146    H    LYS  22           H        LYS  22   3.427  -0.630  -1.121
  147    HA   LYS  22           HA       LYS  22   5.346  -2.614  -2.300
  148   1HB   LYS  22          1HB       LYS  22   5.861  -0.968   0.185
  149   2HB   LYS  22          2HB       LYS  22   7.030  -1.836  -0.811
  150   1HG   LYS  22          1HG       LYS  22   5.856  -0.100  -2.618
  151   2HG   LYS  22          2HG       LYS  22   5.943   0.864  -1.144
  152   1HD   LYS  22          1HD       LYS  22   8.362  -0.732  -1.777
  153   2HD   LYS  22          2HD       LYS  22   8.019   0.608  -2.875
  154   1HE   LYS  22          1HE       LYS  22   7.991   2.193  -1.034
  155   2HE   LYS  22          2HE       LYS  22   8.140   0.879   0.150
  156   1HZ   LYS  22          1HZ       LYS  22  10.199   0.210  -1.097
  157   2HZ   LYS  22          2HZ       LYS  22  10.323   1.665  -0.228
  158   3HZ   LYS  22          3HZ       LYS  22  10.109   1.694  -1.914
  159    H    SER  23           H        SER  23   4.266  -4.521  -1.728
  160    HA   SER  23           HA       SER  23   3.379  -4.783   1.117
  161   1HB   SER  23          1HB       SER  23   2.341  -6.823  -0.584
  162   2HB   SER  23          2HB       SER  23   1.468  -5.512   0.195
  163    HG   SER  23           HG       SER  23   2.481  -5.724  -2.394
  164    H    LYS  24           H        LYS  24   3.532  -7.081   1.933
  165    HA   LYS  24           HA       LYS  24   5.738  -8.687   0.733
  166   1HB   LYS  24          1HB       LYS  24   5.617  -7.949   3.671
  167   2HB   LYS  24          2HB       LYS  24   6.967  -8.670   2.792
  168   1HG   LYS  24          1HG       LYS  24   6.839  -6.493   1.341
  169   2HG   LYS  24          2HG       LYS  24   5.967  -5.836   2.726
  170   1HD   LYS  24          1HD       LYS  24   8.107  -5.313   3.393
  171   2HD   LYS  24          2HD       LYS  24   8.024  -6.951   4.041
  172   1HE   LYS  24          1HE       LYS  24   8.940  -7.708   1.736
  173   2HE   LYS  24          2HE       LYS  24   9.380  -6.004   1.512
  174   1HZ   LYS  24          1HZ       LYS  24  10.883  -6.069   3.181
  175   2HZ   LYS  24          2HZ       LYS  24  10.929  -7.726   2.812
  176   3HZ   LYS  24          3HZ       LYS  24   9.987  -7.167   4.111
  177    H    TRP  25           H        TRP  25   2.922  -9.128   0.760
  178    HA   TRP  25           HA       TRP  25   2.637 -11.792   1.536
  179   1HB   TRP  25          1HB       TRP  25   3.023 -11.341   3.801
  180   2HB   TRP  25          2HB       TRP  25   2.196  -9.792   3.743
  181    HD1  TRP  25           HD       TRP  25   0.185 -10.027   5.302
  182    HE1  TRP  25           1HE      TRP  25  -1.738 -11.724   5.572
  183    HE3  TRP  25           3HE      TRP  25   1.680 -13.594   1.965
  184    HZ2  TRP  25           2HZ      TRP  25  -2.533 -14.260   4.515
  185    HZ3  TRP  25           3HZ      TRP  25   0.323 -15.637   1.618
  186    HH2  TRP  25           HH       TRP  25  -1.780 -15.976   2.885
  187    HA   PRO  26           HA       PRO  26  -1.798  -9.713   1.262
  188   1HB   PRO  26          1HB       PRO  26  -1.316  -7.041   0.311
  189   2HB   PRO  26          2HB       PRO  26  -2.114  -7.532   1.809
  190   1HG   PRO  26          1HG       PRO  26   0.529  -6.405   1.461
  191   2HG   PRO  26          2HG       PRO  26  -0.325  -6.759   2.964
  192   1HD   PRO  26          1HD       PRO  26   1.922  -8.132   1.931
  193   2HD   PRO  26          2HD       PRO  26   0.913  -8.639   3.303
  194    H    ARG  27           H        ARG  27   1.024  -9.292  -0.655
  195    HA   ARG  27           HA       ARG  27   1.447  -9.663  -2.927
  196   1HB   ARG  27          1HB       ARG  27  -1.201 -10.949  -2.387
  197   2HB   ARG  27          2HB       ARG  27  -0.649 -10.832  -4.056
  198   1HG   ARG  27          1HG       ARG  27   1.486 -11.912  -3.408
  199   2HG   ARG  27          2HG       ARG  27   0.885 -12.078  -1.758
  200   1HD   ARG  27          1HD       ARG  27  -0.680 -13.185  -4.094
  201   2HD   ARG  27          2HD       ARG  27   0.597 -14.131  -3.305
  202    HE   ARG  27           HE       ARG  27  -0.961 -13.088  -1.222
  203   1HH1  ARG  27          1HH2      ARG  27  -3.143 -13.534  -3.308
  204   2HH1  ARG  27          2HH2      ARG  27  -3.661 -15.138  -2.910
  205   1HH2  ARG  27          1HH1      ARG  27  -0.866 -15.846  -0.983
  206   2HH2  ARG  27          2HH1      ARG  27  -2.370 -16.448  -1.594
  207    H    ASN  28           H        ASN  28   1.588  -7.481  -3.550
  208    HA   ASN  28           HA       ASN  28   1.036  -5.663  -4.936
  209   1HB   ASN  28          1HB       ASN  28  -0.535  -7.941  -5.744
  210   2HB   ASN  28          2HB       ASN  28  -1.459  -6.458  -5.989
  211   1HD2  ASN  28          1HD2      ASN  28   0.270  -8.392  -7.825
  212   2HD2  ASN  28          2HD2      ASN  28   1.159  -7.290  -8.762
  213    H    ILE  29           H        ILE  29   0.631  -4.278  -3.075
  214    HA   ILE  29           HA       ILE  29  -2.123  -3.260  -3.020
  215    HB   ILE  29           HB       ILE  29  -2.483  -3.574  -0.673
  216   1HG1  ILE  29          1HG1      ILE  29  -0.626  -5.111   0.477
  217   2HG1  ILE  29          2HG1      ILE  29   0.402  -4.381  -0.755
  218   1HG2  ILE  29          1HG2      ILE  29  -1.417  -6.190  -1.793
  219   2HG2  ILE  29          2HG2      ILE  29  -3.001  -5.511  -2.176
  220   3HG2  ILE  29          3HG2      ILE  29  -2.626  -6.003  -0.527
  221   1HD1  ILE  29          1HD1      ILE  29  -1.330  -2.440   0.605
  222   2HD1  ILE  29          2HD1      ILE  29  -0.189  -3.240   1.687
  223   3HD1  ILE  29          3HD1      ILE  29   0.399  -2.364   0.275
  224    H    CYS  30           H        CYS  30  -2.034  -1.530  -1.004
  225    HA   CYS  30           HA       CYS  30   0.497   0.020  -1.383
  226   1HB   CYS  30          1HB       CYS  30  -1.895   0.608  -2.428
  227   2HB   CYS  30          2HB       CYS  30  -2.134   1.316  -0.829
  228    H    VAL  31           H        VAL  31   1.550  -0.009   0.595
  229    HA   VAL  31           HA       VAL  31  -0.072  -0.096   3.089
  230    HB   VAL  31           HB       VAL  31   2.168  -0.562   4.101
  231   1HG1  VAL  31          1HG1      VAL  31   1.628  -2.274   1.660
  232   2HG1  VAL  31          2HG1      VAL  31   0.676  -2.358   3.141
  233   3HG1  VAL  31          3HG1      VAL  31   2.389  -2.778   3.171
  234   1HG2  VAL  31          1HG2      VAL  31   3.343   0.803   2.254
  235   2HG2  VAL  31          2HG2      VAL  31   3.204  -0.649   1.263
  236   3HG2  VAL  31          3HG2      VAL  31   4.126  -0.692   2.766
  237    H    TRP  32           H        TRP  32  -0.094   1.599   4.538
  238    HA   TRP  32           HA       TRP  32   0.269   4.258   3.835
  239   1HB   TRP  32          1HB       TRP  32  -0.738   4.133   5.878
  240   2HB   TRP  32          2HB       TRP  32   0.048   2.601   6.245
  241    HD1  TRP  32           HD       TRP  32   2.018   2.635   7.883
  242    HE1  TRP  32           1HE      TRP  32   3.316   4.476   9.130
  243    HE3  TRP  32           3HE      TRP  32   0.104   6.767   5.575
  244    HZ2  TRP  32           2HZ      TRP  32   3.516   7.335   9.143
  245    HZ3  TRP  32           3HZ      TRP  32   0.866   9.034   6.221
  246    HH2  TRP  32           HH       TRP  32   2.568   9.322   8.000
  247    H    ASP  33           H        ASP  33   2.027   5.798   4.354
  248    HA   ASP  33           HA       ASP  33   4.675   4.695   3.749
  249   1HB   ASP  33          1HB       ASP  33   3.696   6.837   2.852
  250   2HB   ASP  33          2HB       ASP  33   3.806   7.514   4.478
  251    HD2  ASP  33           HD2      ASP  33   7.092   8.279   3.939
  252    H    GLY  34           H        GLY  34   5.039   7.313   5.863
  253   1HA   GLY  34          1HA       GLY  34   5.346   7.380   8.249
  254   2HA   GLY  34          2HA       GLY  34   5.230   5.621   8.288
  255    H    SER  35           H        SER  35   7.276   7.459   6.066
  256    HA   SER  35           HA       SER  35   9.611   5.924   6.989
  257   1HB   SER  35          1HB       SER  35  10.629   7.392   5.089
  258   2HB   SER  35          2HB       SER  35   9.428   6.180   4.649
  259    HG   SER  35           HG       SER  35   9.338   8.802   4.276
  260    H    VAL  36           H        VAL  36   9.430   7.052   9.207
  261    HA   VAL  36           HA       VAL  36  10.817   9.715   9.128
  262    HB   VAL  36           HB       VAL  36   8.985   8.559  11.252
  263   1HG1  VAL  36          1HG1      VAL  36   9.408  11.477  10.918
  264   2HG1  VAL  36          2HG1      VAL  36  10.793  10.564  11.518
  265   3HG1  VAL  36          3HG1      VAL  36   9.263  10.521  12.393
  266   1HG2  VAL  36          1HG2      VAL  36   8.373   9.651   8.665
  267   2HG2  VAL  36          2HG2      VAL  36   7.819  10.778   9.904
  268   3HG2  VAL  36          3HG2      VAL  36   7.254   9.108   9.917
  Start of MODEL    9
    1   1H    ASP   1          1HT       ASP   1 -10.495   6.492  -6.816
    2   2H    ASP   1          2HT       ASP   1 -10.737   8.124  -6.409
    3   3H    ASP   1          3HT       ASP   1 -12.070   7.118  -6.717
    4    HA   ASP   1           HA       ASP   1 -11.464   7.641  -4.274
    5   1HB   ASP   1          1HB       ASP   1 -12.054   4.961  -5.548
    6   2HB   ASP   1          2HB       ASP   1 -12.173   5.218  -3.809
    7    HD2  ASP   1           HD2      ASP   1 -15.403   6.006  -5.214
    8    H    CYS   2           H        CYS   2  -9.808   7.457  -2.817
    9    HA   CYS   2           HA       CYS   2  -7.359   6.009  -3.621
   10   1HB   CYS   2          1HB       CYS   2  -6.375   7.662  -2.428
   11   2HB   CYS   2          2HB       CYS   2  -7.963   8.406  -2.368
   12    H    VAL   3           H        VAL   3  -6.233   4.774  -1.748
   13    HA   VAL   3           HA       VAL   3  -8.276   3.120  -0.295
   14    HB   VAL   3           HB       VAL   3  -5.587   2.213  -1.353
   15   1HG1  VAL   3          1HG1      VAL   3  -7.942   0.970  -0.043
   16   2HG1  VAL   3          2HG1      VAL   3  -6.243   0.496   0.007
   17   3HG1  VAL   3          3HG1      VAL   3  -7.238   0.063  -1.384
   18   1HG2  VAL   3          1HG2      VAL   3  -6.703   1.414  -3.346
   19   2HG2  VAL   3          2HG2      VAL   3  -7.094   3.125  -3.174
   20   3HG2  VAL   3          3HG2      VAL   3  -8.279   1.900  -2.718
   21    H    ARG   4           H        ARG   4  -7.158   1.920   1.614
   22    HA   ARG   4           HA       ARG   4  -5.346   3.861   3.005
   23   1HB   ARG   4          1HB       ARG   4  -6.419   3.086   5.034
   24   2HB   ARG   4          2HB       ARG   4  -7.685   3.442   3.861
   25   1HG   ARG   4          1HG       ARG   4  -8.428   1.327   4.027
   26   2HG   ARG   4          2HG       ARG   4  -6.865   0.740   3.454
   27   1HD   ARG   4          1HD       ARG   4  -6.772  -0.245   5.527
   28   2HD   ARG   4          2HD       ARG   4  -6.263   1.373   6.053
   29    HE   ARG   4           HE       ARG   4  -8.868   1.757   6.231
   30   1HH1  ARG   4          1HH1      ARG   4  -8.685  -1.428   5.821
   31   2HH1  ARG   4          2HH1      ARG   4  -9.139  -1.908   7.420
   32   1HH2  ARG   4          1HH2      ARG   4  -8.785   1.270   8.762
   33   2HH2  ARG   4          2HH2      ARG   4  -9.196  -0.382   9.087
   34    H    PHE   5           H        PHE   5  -4.404   2.348   5.036
   35    HA   PHE   5           HA       PHE   5  -2.169   1.009   4.137
   36   1HB   PHE   5          1HB       PHE   5  -3.327   1.584   6.526
   37   2HB   PHE   5          2HB       PHE   5  -3.523  -0.169   6.499
   38    HD1  PHE   5           1HD      PHE   5  -1.610   1.782   8.193
   39    HD2  PHE   5           2HD      PHE   5  -1.080  -0.834   4.829
   40    HE1  PHE   5           1HE      PHE   5   0.782   1.502   8.786
   41    HE2  PHE   5           2HE      PHE   5   1.311  -1.113   5.420
   42    HZ   PHE   5           HZ       PHE   5   2.242   0.055   7.397
   43    H    TRP   6           H        TRP   6  -1.777  -0.905   3.116
   44    HA   TRP   6           HA       TRP   6  -2.134  -3.048   2.189
   45   1HB   TRP   6          1HB       TRP   6  -4.115  -3.260   4.479
   46   2HB   TRP   6          2HB       TRP   6  -3.254  -4.582   3.693
   47    HD1  TRP   6           HD       TRP   6  -3.020  -2.305   6.569
   48    HE1  TRP   6           1HE      TRP   6  -0.667  -2.398   7.626
   49    HE3  TRP   6           3HE      TRP   6  -0.503  -4.808   2.898
   50    HZ2  TRP   6           2HZ      TRP   6   1.936  -3.401   6.994
   51    HZ3  TRP   6           3HZ      TRP   6   1.908  -5.318   3.150
   52    HH2  TRP   6           HH       TRP   6   3.131  -4.619   5.190
   53    H    GLY   7           H        GLY   7  -3.119  -2.119   0.332
   54   1HA   GLY   7          1HA       GLY   7  -5.918  -2.958  -0.010
   55   2HA   GLY   7          2HA       GLY   7  -5.578  -1.248  -0.307
   56    H    LYS   8           H        LYS   8  -5.892  -4.101  -1.874
   57    HA   LYS   8           HA       LYS   8  -3.863  -4.645  -3.598
   58   1HB   LYS   8          1HB       LYS   8  -6.125  -5.612  -3.700
   59   2HB   LYS   8          2HB       LYS   8  -6.756  -4.090  -4.331
   60   1HG   LYS   8          1HG       LYS   8  -6.411  -5.145  -6.341
   61   2HG   LYS   8          2HG       LYS   8  -4.783  -4.502  -6.117
   62   1HD   LYS   8          1HD       LYS   8  -4.556  -6.800  -4.711
   63   2HD   LYS   8          2HD       LYS   8  -5.756  -7.300  -5.904
   64   1HE   LYS   8          1HE       LYS   8  -3.172  -5.901  -6.669
   65   2HE   LYS   8          2HE       LYS   8  -3.347  -7.667  -6.632
   66   1HZ   LYS   8          1HZ       LYS   8  -4.772  -5.707  -8.317
   67   2HZ   LYS   8          2HZ       LYS   8  -5.479  -7.211  -7.968
   68   3HZ   LYS   8          3HZ       LYS   8  -3.989  -7.137  -8.782
   69    H    CYS   9           H        CYS   9  -2.517  -3.384  -4.786
   70    HA   CYS   9           HA       CYS   9  -3.598  -0.978  -6.167
   71   1HB   CYS   9          1HB       CYS   9  -2.847   0.016  -4.190
   72   2HB   CYS   9          2HB       CYS   9  -1.579  -1.181  -3.955
   73    H    SER  10           H        SER  10  -2.238  -0.307  -7.948
   74    HA   SER  10           HA       SER  10   0.186  -1.858  -8.583
   75   1HB   SER  10          1HB       SER  10  -1.047  -2.427 -10.850
   76   2HB   SER  10          2HB       SER  10  -1.301  -3.441  -9.435
   77    HG   SER  10           HG       SER  10  -3.273  -2.818 -10.406
   78    H    GLN  11           H        GLN  11   0.913   0.459  -8.442
   79    HA   GLN  11           HA       GLN  11   1.577   2.463  -9.504
   80   1HB   GLN  11          1HB       GLN  11   1.223   0.366 -11.482
   81   2HB   GLN  11          2HB       GLN  11   0.881   1.948 -12.183
   82   1HG   GLN  11          1HG       GLN  11   3.188   2.222 -10.535
   83   2HG   GLN  11          2HG       GLN  11   3.431   0.804 -11.554
   84   1HE2  GLN  11          1HE2      GLN  11   3.547   4.233 -11.522
   85   2HE2  GLN  11          2HE2      GLN  11   3.679   4.473 -13.197
   86    H    THR  12           H        THR  12   0.442   3.815 -11.686
   87    HA   THR  12           HA       THR  12  -1.328   5.325 -12.120
   88    HB   THR  12           HB       THR  12  -3.450   3.509 -11.335
   89    HG1  THR  12           1HG      THR  12  -2.597   1.672 -11.816
   90   1HG2  THR  12          1HG2      THR  12  -2.608   3.718 -14.163
   91   2HG2  THR  12          2HG2      THR  12  -2.949   5.250 -13.359
   92   3HG2  THR  12          3HG2      THR  12  -4.189   3.998 -13.432
   93    H    SER  13           H        SER  13  -0.336   4.831  -9.199
   94    HA   SER  13           HA       SER  13  -0.975   5.500  -7.014
   95   1HB   SER  13          1HB       SER  13  -1.552   7.480  -9.053
   96   2HB   SER  13          2HB       SER  13  -2.653   7.663  -7.689
   97    HG   SER  13           HG       SER  13   0.162   7.373  -7.446
   98    H    ASP  14           H        ASP  14  -2.420   3.392  -7.160
   99    HA   ASP  14           HA       ASP  14  -5.296   3.793  -7.454
  100   1HB   ASP  14          1HB       ASP  14  -3.495   1.690  -7.485
  101   2HB   ASP  14          2HB       ASP  14  -4.341   1.454  -5.955
  102    HD2  ASP  14           HD2      ASP  14  -7.163   0.402  -7.585
  103    H    CYS  15           H        CYS  15  -3.167   3.076  -4.658
  104    HA   CYS  15           HA       CYS  15  -5.270   3.498  -2.697
  105   1HB   CYS  15          1HB       CYS  15  -3.436   3.169  -1.136
  106   2HB   CYS  15          2HB       CYS  15  -3.210   2.056  -2.485
  107    H    CYS  16           H        CYS  16  -4.155   5.125  -0.792
  108    HA   CYS  16           HA       CYS  16  -4.631   7.800  -1.874
  109   1HB   CYS  16          1HB       CYS  16  -4.678   6.416   0.614
  110   2HB   CYS  16          2HB       CYS  16  -3.599   7.799   0.774
  111    HA   PRO  17           HA       PRO  17  -0.497   9.056  -2.726
  112   1HB   PRO  17          1HB       PRO  17  -0.861  11.635  -1.493
  113   2HB   PRO  17          2HB       PRO  17  -0.919  11.237  -3.217
  114   1HG   PRO  17          1HG       PRO  17  -3.104  11.949  -1.502
  115   2HG   PRO  17          2HG       PRO  17  -3.166  11.520  -3.214
  116   1HD   PRO  17          1HD       PRO  17  -4.077   9.959  -0.963
  117   2HD   PRO  17          2HD       PRO  17  -4.151   9.534  -2.690
  118    H    HIS  18           H        HIS  18  -1.798   8.893   0.432
  119    HA   HIS  18           HA       HIS  18   0.688   9.716   1.788
  120   1HB   HIS  18          1HB       HIS  18  -2.098   9.515   2.315
  121   2HB   HIS  18          2HB       HIS  18  -1.249   8.537   3.511
  122    HD1  HIS  18           1HD      HIS  18  -0.544  12.180   2.031
  123    HD2  HIS  18           2HD      HIS  18  -0.608   9.883   5.512
  124    HE1  HIS  18           1HE      HIS  18   0.104  12.213   6.206
  125    HE2  HIS  18           2HE      HIS  18   0.105  12.212   6.208
  126    H    LEU  19           H        LEU  19   0.193   7.116   0.056
  127    HA   LEU  19           HA       LEU  19   1.568   5.303   1.995
  128   1HB   LEU  19          1HB       LEU  19  -0.800   4.636   0.214
  129   2HB   LEU  19          2HB       LEU  19   0.053   3.490   1.250
  130    HG   LEU  19           HG       LEU  19  -0.539   5.579   2.975
  131   1HD1  LEU  19          1HD1      LEU  19  -2.685   6.379   2.571
  132   2HD1  LEU  19          2HD1      LEU  19  -2.069   6.264   0.923
  133   3HD1  LEU  19          3HD1      LEU  19  -3.120   5.000   1.560
  134   1HD2  LEU  19          1HD2      LEU  19  -1.253   2.811   2.543
  135   2HD2  LEU  19          2HD2      LEU  19  -2.644   3.699   3.165
  136   3HD2  LEU  19          3HD2      LEU  19  -1.127   3.695   4.066
  137    H    ALA  20           H        ALA  20   2.089   3.172   0.528
  138    HA   ALA  20           HA       ALA  20   3.106   4.068  -2.139
  139   1HB   ALA  20          1HB       ALA  20   4.738   4.108  -0.082
  140   2HB   ALA  20          2HB       ALA  20   4.733   2.354  -0.267
  141   3HB   ALA  20          3HB       ALA  20   5.291   3.377  -1.589
  142    H    CYS  21           H        CYS  21   3.193   2.336  -3.678
  143    HA   CYS  21           HA       CYS  21   1.463   0.053  -3.046
  144   1HB   CYS  21          1HB       CYS  21   1.805   1.583  -5.203
  145   2HB   CYS  21          2HB       CYS  21   3.013   0.362  -5.591
  146    H    LYS  22           H        LYS  22   3.160  -0.708  -1.362
  147    HA   LYS  22           HA       LYS  22   5.007  -2.639  -2.705
  148   1HB   LYS  22          1HB       LYS  22   5.768  -1.037  -0.260
  149   2HB   LYS  22          2HB       LYS  22   6.830  -1.927  -1.352
  150   1HG   LYS  22          1HG       LYS  22   6.048  -0.305  -3.180
  151   2HG   LYS  22          2HG       LYS  22   5.381   0.672  -1.872
  152   1HD   LYS  22          1HD       LYS  22   7.545   0.950  -0.860
  153   2HD   LYS  22          2HD       LYS  22   8.265  -0.248  -1.939
  154   1HE   LYS  22          1HE       LYS  22   8.279   1.205  -3.762
  155   2HE   LYS  22          2HE       LYS  22   6.921   2.163  -3.135
  156   1HZ   LYS  22          1HZ       LYS  22   9.289   3.109  -2.893
  157   2HZ   LYS  22          2HZ       LYS  22   9.454   1.980  -1.632
  158   3HZ   LYS  22          3HZ       LYS  22   8.250   3.176  -1.553
  159    H    SER  23           H        SER  23   4.541  -4.663  -1.889
  160    HA   SER  23           HA       SER  23   3.743  -4.862   0.977
  161   1HB   SER  23          1HB       SER  23   2.206  -6.745  -0.376
  162   2HB   SER  23          2HB       SER  23   1.646  -5.205   0.267
  163    HG   SER  23           HG       SER  23   2.215  -5.968  -2.334
  164    H    LYS  24           H        LYS  24   4.004  -7.039   1.845
  165    HA   LYS  24           HA       LYS  24   5.812  -8.824   0.256
  166   1HB   LYS  24          1HB       LYS  24   6.941  -9.155   2.567
  167   2HB   LYS  24          2HB       LYS  24   7.243  -7.624   1.741
  168   1HG   LYS  24          1HG       LYS  24   5.555  -6.503   3.074
  169   2HG   LYS  24          2HG       LYS  24   5.062  -8.030   3.807
  170   1HD   LYS  24          1HD       LYS  24   7.673  -8.114   4.426
  171   2HD   LYS  24          2HD       LYS  24   7.475  -6.363   4.340
  172   1HE   LYS  24          1HE       LYS  24   5.279  -7.661   5.788
  173   2HE   LYS  24          2HE       LYS  24   6.861  -7.924   6.552
  174   1HZ   LYS  24          1HZ       LYS  24   5.853  -5.803   7.230
  175   2HZ   LYS  24          2HZ       LYS  24   5.843  -5.294   5.610
  176   3HZ   LYS  24          3HZ       LYS  24   7.316  -5.575   6.406
  177    H    TRP  25           H        TRP  25   3.018  -9.136   0.532
  178    HA   TRP  25           HA       TRP  25   2.689 -11.796   1.357
  179   1HB   TRP  25          1HB       TRP  25   3.219 -11.310   3.581
  180   2HB   TRP  25          2HB       TRP  25   2.457  -9.727   3.528
  181    HD1  TRP  25           HD       TRP  25   0.495  -9.796   5.152
  182    HE1  TRP  25           1HE      TRP  25  -1.466 -11.410   5.607
  183    HE3  TRP  25           3HE      TRP  25   1.724 -13.602   1.970
  184    HZ2  TRP  25           2HZ      TRP  25  -2.388 -13.974   4.736
  185    HZ3  TRP  25           3HZ      TRP  25   0.289 -15.615   1.804
  186    HH2  TRP  25           HH       TRP  25  -1.763 -15.805   3.183
  187    HA   PRO  26           HA       PRO  26  -1.690  -9.579   1.302
  188   1HB   PRO  26          1HB       PRO  26  -1.177  -6.932   0.300
  189   2HB   PRO  26          2HB       PRO  26  -1.903  -7.388   1.843
  190   1HG   PRO  26          1HG       PRO  26   0.758  -6.359   1.336
  191   2HG   PRO  26          2HG       PRO  26  -0.028  -6.657   2.887
  192   1HD   PRO  26          1HD       PRO  26   2.112  -8.127   1.778
  193   2HD   PRO  26          2HD       PRO  26   1.135  -8.589   3.190
  194    H    ARG  27           H        ARG  27   1.021  -9.265  -0.799
  195    HA   ARG  27           HA       ARG  27   1.267  -9.715  -3.086
  196   1HB   ARG  27          1HB       ARG  27  -1.252 -10.940  -2.215
  197   2HB   ARG  27          2HB       ARG  27  -1.207 -10.586  -3.942
  198   1HG   ARG  27          1HG       ARG  27   0.737 -11.899  -4.273
  199   2HG   ARG  27          2HG       ARG  27   1.094 -11.947  -2.547
  200   1HD   ARG  27          1HD       ARG  27  -1.326 -13.247  -3.848
  201   2HD   ARG  27          2HD       ARG  27   0.131 -14.104  -3.305
  202    HE   ARG  27           HE       ARG  27  -0.611 -12.635  -1.085
  203   1HH1  ARG  27          1HH1      ARG  27  -3.010 -13.755  -3.102
  204   2HH1  ARG  27          2HH1      ARG  27  -3.741 -14.823  -1.951
  205   1HH2  ARG  27          1HH2      ARG  27  -1.193 -14.489   0.375
  206   2HH2  ARG  27          2HH2      ARG  27  -2.713 -15.239   0.017
  207    H    ASN  28           H        ASN  28   1.544  -7.542  -3.710
  208    HA   ASN  28           HA       ASN  28   1.060  -5.634  -4.995
  209   1HB   ASN  28          1HB       ASN  28  -0.811  -7.779  -5.783
  210   2HB   ASN  28          2HB       ASN  28  -1.287  -6.155  -6.276
  211   1HD2  ASN  28          1HD2      ASN  28   0.733  -4.842  -7.228
  212   2HD2  ASN  28          2HD2      ASN  28   1.702  -5.713  -8.314
  213    H    ILE  29           H        ILE  29   0.652  -4.356  -3.016
  214    HA   ILE  29           HA       ILE  29  -2.098  -3.262  -3.004
  215    HB   ILE  29           HB       ILE  29  -2.455  -3.610  -0.672
  216   1HG1  ILE  29          1HG1      ILE  29  -0.567  -5.152   0.445
  217   2HG1  ILE  29          2HG1      ILE  29   0.440  -4.370  -0.776
  218   1HG2  ILE  29          1HG2      ILE  29  -2.594  -6.041  -0.579
  219   2HG2  ILE  29          2HG2      ILE  29  -1.342  -6.202  -1.812
  220   3HG2  ILE  29          3HG2      ILE  29  -2.917  -5.534  -2.237
  221   1HD1  ILE  29          1HD1      ILE  29  -1.301  -2.471   0.598
  222   2HD1  ILE  29          2HD1      ILE  29  -0.214  -3.305   1.706
  223   3HD1  ILE  29          3HD1      ILE  29   0.441  -2.408   0.337
  224    H    CYS  30           H        CYS  30  -1.948  -1.554  -0.935
  225    HA   CYS  30           HA       CYS  30   0.593  -0.043  -1.403
  226   1HB   CYS  30          1HB       CYS  30  -1.744   0.639  -2.408
  227   2HB   CYS  30          2HB       CYS  30  -2.040   1.240  -0.775
  228    H    VAL  31           H        VAL  31   1.721  -0.164   0.507
  229    HA   VAL  31           HA       VAL  31   0.228  -0.199   3.084
  230    HB   VAL  31           HB       VAL  31   2.475  -0.768   3.989
  231   1HG1  VAL  31          1HG1      VAL  31   2.570  -2.963   3.054
  232   2HG1  VAL  31          2HG1      VAL  31   1.881  -2.417   1.526
  233   3HG1  VAL  31          3HG1      VAL  31   0.877  -2.473   2.975
  234   1HG2  VAL  31          1HG2      VAL  31   4.372  -1.015   2.521
  235   2HG2  VAL  31          2HG2      VAL  31   3.712   0.595   2.248
  236   3HG2  VAL  31          3HG2      VAL  31   3.382  -0.698   1.098
  237    H    TRP  32           H        TRP  32   0.215   1.545   4.445
  238    HA   TRP  32           HA       TRP  32   0.702   4.168   3.740
  239   1HB   TRP  32          1HB       TRP  32  -0.311   4.035   5.784
  240   2HB   TRP  32          2HB       TRP  32   0.519   2.535   6.184
  241    HD1  TRP  32           HD       TRP  32   2.462   2.672   7.835
  242    HE1  TRP  32           1HE      TRP  32   3.754   4.582   8.981
  243    HE3  TRP  32           3HE      TRP  32   0.541   6.671   5.307
  244    HZ2  TRP  32           2HZ      TRP  32   3.948   7.436   8.844
  245    HZ3  TRP  32           3HZ      TRP  32   1.295   8.972   5.833
  246    HH2  TRP  32           HH       TRP  32   2.997   9.359   7.597
  247    H    ASP  33           H        ASP  33   2.526   5.552   3.741
  248    HA   ASP  33           HA       ASP  33   5.175   4.237   4.263
  249   1HB   ASP  33          1HB       ASP  33   4.031   5.150   1.850
  250   2HB   ASP  33          2HB       ASP  33   5.243   6.357   2.287
  251    HD2  ASP  33           HD2      ASP  33   6.630   2.663   1.877
  252    H    GLY  34           H        GLY  34   6.569   6.726   3.610
  253   1HA   GLY  34          1HA       GLY  34   7.204   8.760   4.606
  254   2HA   GLY  34          2HA       GLY  34   5.578   8.869   5.283
  255    H    SER  35           H        SER  35   7.927   6.252   5.751
  256    HA   SER  35           HA       SER  35   7.597   6.532   8.674
  257   1HB   SER  35          1HB       SER  35   8.953   4.389   8.592
  258   2HB   SER  35          2HB       SER  35   7.444   4.330   7.688
  259    HG   SER  35           HG       SER  35   9.472   3.579   6.622
  260    H    VAL  36           H        VAL  36   8.877   8.776   8.018
  261    HA   VAL  36           HA       VAL  36  11.819   8.285   8.170
  262    HB   VAL  36           HB       VAL  36  10.120  10.738   7.611
  263   1HG1  VAL  36          1HG1      VAL  36  12.065  11.701   8.438
  264   2HG1  VAL  36          2HG1      VAL  36  12.521  11.480   6.750
  265   3HG1  VAL  36          3HG1      VAL  36  13.067  10.328   7.967
  266   1HG2  VAL  36          1HG2      VAL  36  11.455   8.649   5.949
  267   2HG2  VAL  36          2HG2      VAL  36  11.526  10.312   5.362
  268   3HG2  VAL  36          3HG2      VAL  36   9.964   9.542   5.646
  Start of MODEL   10
    1   1H    ASP   1          1HT       ASP   1 -12.811   6.237  -6.252
    2   2H    ASP   1          2HT       ASP   1 -11.202   5.713  -6.410
    3   3H    ASP   1          3HT       ASP   1 -11.541   7.358  -6.158
    4    HA   ASP   1           HA       ASP   1 -12.134   7.038  -3.930
    5   1HB   ASP   1          1HB       ASP   1 -12.576   4.696  -3.139
    6   2HB   ASP   1          2HB       ASP   1 -13.669   5.209  -4.424
    7    HD2  ASP   1           HD2      ASP   1 -11.096   2.330  -5.190
    8    H    CYS   2           H        CYS   2 -10.501   6.931  -2.359
    9    HA   CYS   2           HA       CYS   2  -7.819   6.143  -3.289
   10   1HB   CYS   2          1HB       CYS   2  -9.033   7.946  -1.421
   11   2HB   CYS   2          2HB       CYS   2  -7.900   6.921  -0.543
   12    H    VAL   3           H        VAL   3  -6.431   4.923  -1.600
   13    HA   VAL   3           HA       VAL   3  -8.022   2.749  -0.291
   14    HB   VAL   3           HB       VAL   3  -5.378   2.396  -1.716
   15   1HG1  VAL   3          1HG1      VAL   3  -7.581   0.380  -1.264
   16   2HG1  VAL   3          2HG1      VAL   3  -6.368   0.703  -0.027
   17   3HG1  VAL   3          3HG1      VAL   3  -5.875   0.082  -1.601
   18   1HG2  VAL   3          1HG2      VAL   3  -8.195   2.200  -2.822
   19   2HG2  VAL   3          2HG2      VAL   3  -6.789   1.487  -3.614
   20   3HG2  VAL   3          3HG2      VAL   3  -6.890   3.236  -3.403
   21    H    ARG   4           H        ARG   4  -6.955   1.847   1.609
   22    HA   ARG   4           HA       ARG   4  -4.860   3.668   2.737
   23   1HB   ARG   4          1HB       ARG   4  -5.900   3.344   4.827
   24   2HB   ARG   4          2HB       ARG   4  -7.260   3.397   3.708
   25   1HG   ARG   4          1HG       ARG   4  -6.682   0.743   3.629
   26   2HG   ARG   4          2HG       ARG   4  -6.195   1.121   5.282
   27   1HD   ARG   4          1HD       ARG   4  -8.362   1.812   5.899
   28   2HD   ARG   4          2HD       ARG   4  -8.855   2.076   4.214
   29    HE   ARG   4           HE       ARG   4  -8.261  -0.582   4.185
   30   1HH1  ARG   4          1HH1      ARG   4  -8.964   0.234   7.237
   31   2HH1  ARG   4          2HH1      ARG   4 -10.517  -0.526   7.333
   32   1HH2  ARG   4          1HH2      ARG   4 -10.752  -1.078   3.919
   33   2HH2  ARG   4          2HH2      ARG   4 -11.531  -1.269   5.455
   34    H    PHE   5           H        PHE   5  -4.032   2.132   4.840
   35    HA   PHE   5           HA       PHE   5  -1.927   0.595   3.984
   36   1HB   PHE   5          1HB       PHE   5  -3.192   1.235   6.350
   37   2HB   PHE   5          2HB       PHE   5  -3.318  -0.523   6.319
   38    HD1  PHE   5           1HD      PHE   5  -1.496   1.658   7.931
   39    HD2  PHE   5           2HD      PHE   5  -0.850  -1.245   4.835
   40    HE1  PHE   5           1HE      PHE   5   0.884   1.477   8.599
   41    HE2  PHE   5           2HE      PHE   5   1.532  -1.428   5.503
   42    HZ   PHE   5           HZ       PHE   5   2.399  -0.065   7.383
   43    H    TRP   6           H        TRP   6  -1.624  -1.443   3.151
   44    HA   TRP   6           HA       TRP   6  -2.152  -3.534   2.186
   45   1HB   TRP   6          1HB       TRP   6  -4.273  -3.677   4.335
   46   2HB   TRP   6          2HB       TRP   6  -3.252  -4.975   3.718
   47    HD1  TRP   6           HD       TRP   6  -3.428  -2.363   6.364
   48    HE1  TRP   6           1HE      TRP   6  -1.247  -2.329   7.733
   49    HE3  TRP   6           3HE      TRP   6  -0.500  -5.362   3.449
   50    HZ2  TRP   6           2HZ      TRP   6   1.386  -3.431   7.620
   51    HZ3  TRP   6           3HZ      TRP   6   1.838  -5.859   4.110
   52    HH2  TRP   6           HH       TRP   6   2.782  -4.896   6.187
   53    H    GLY   7           H        GLY   7  -3.150  -1.959   0.483
   54   1HA   GLY   7          1HA       GLY   7  -5.957  -2.842   0.031
   55   2HA   GLY   7          2HA       GLY   7  -5.513  -1.152  -0.217
   56    H    LYS   8           H        LYS   8  -6.034  -3.896  -1.884
   57    HA   LYS   8           HA       LYS   8  -4.055  -4.546  -3.632
   58   1HB   LYS   8          1HB       LYS   8  -6.931  -4.361  -3.657
   59   2HB   LYS   8          2HB       LYS   8  -6.307  -3.949  -5.255
   60   1HG   LYS   8          1HG       LYS   8  -6.516  -6.293  -5.347
   61   2HG   LYS   8          2HG       LYS   8  -4.811  -6.055  -4.972
   62   1HD   LYS   8          1HD       LYS   8  -5.023  -6.871  -2.845
   63   2HD   LYS   8          2HD       LYS   8  -6.642  -6.203  -2.642
   64   1HE   LYS   8          1HE       LYS   8  -6.589  -8.732  -2.754
   65   2HE   LYS   8          2HE       LYS   8  -7.602  -7.991  -4.010
   66   1HZ   LYS   8          1HZ       LYS   8  -6.091  -8.426  -5.629
   67   2HZ   LYS   8          2HZ       LYS   8  -5.695  -9.714  -4.596
   68   3HZ   LYS   8          3HZ       LYS   8  -4.757  -8.297  -4.590
   69    H    CYS   9           H        CYS   9  -2.593  -3.348  -4.749
   70    HA   CYS   9           HA       CYS   9  -3.480  -0.879  -6.159
   71   1HB   CYS   9          1HB       CYS   9  -2.750   0.062  -4.132
   72   2HB   CYS   9          2HB       CYS   9  -1.502  -1.158  -3.908
   73    H    SER  10           H        SER  10  -2.553  -0.844  -8.184
   74    HA   SER  10           HA       SER  10   0.151  -1.905  -8.640
   75   1HB   SER  10          1HB       SER  10  -0.661  -3.640 -10.220
   76   2HB   SER  10          2HB       SER  10  -1.264  -3.922  -8.591
   77    HG   SER  10           HG       SER  10  -3.231  -3.108  -9.193
   78    H    GLN  11           H        GLN  11  -2.899  -1.040 -10.322
   79    HA   GLN  11           HA       GLN  11  -1.728  -0.112 -12.737
   80   1HB   GLN  11          1HB       GLN  11  -4.267   0.311 -11.207
   81   2HB   GLN  11          2HB       GLN  11  -3.950   1.345 -12.601
   82   1HG   GLN  11          1HG       GLN  11  -3.806  -1.680 -12.690
   83   2HG   GLN  11          2HG       GLN  11  -5.233  -0.753 -13.155
   84   1HE2  GLN  11          1HE2      GLN  11  -4.193  -2.235 -15.193
   85   2HE2  GLN  11          2HE2      GLN  11  -3.322  -1.271 -16.283
   86    H    THR  12           H        THR  12  -2.376   2.472 -13.191
   87    HA   THR  12           HA       THR  12  -0.304   3.948 -11.765
   88    HB   THR  12           HB       THR  12  -1.110   5.758 -13.322
   89    HG1  THR  12           1HG      THR  12  -3.089   5.530 -13.943
   90   1HG2  THR  12          1HG2      THR  12  -0.978   3.636 -15.254
   91   2HG2  THR  12          2HG2      THR  12   0.117   3.271 -13.922
   92   3HG2  THR  12          3HG2      THR  12   0.275   4.792 -14.803
   93    H    SER  13           H        SER  13  -0.615   5.168  -9.943
   94    HA   SER  13           HA       SER  13  -1.734   6.309  -8.200
   95   1HB   SER  13          1HB       SER  13  -2.258   7.519 -10.486
   96   2HB   SER  13          2HB       SER  13  -3.886   6.904 -10.211
   97    HG   SER  13           HG       SER  13  -3.462   9.012  -9.300
   98    H    ASP  14           H        ASP  14  -2.344   4.397  -7.000
   99    HA   ASP  14           HA       ASP  14  -5.151   3.446  -7.470
  100   1HB   ASP  14          1HB       ASP  14  -2.605   2.170  -7.033
  101   2HB   ASP  14          2HB       ASP  14  -3.700   1.740  -5.719
  102    HD2  ASP  14           HD2      ASP  14  -4.638   0.555  -9.375
  103    H    CYS  15           H        CYS  15  -3.104   3.112  -4.591
  104    HA   CYS  15           HA       CYS  15  -5.243   3.896  -2.805
  105   1HB   CYS  15          1HB       CYS  15  -3.564   3.494  -1.112
  106   2HB   CYS  15          2HB       CYS  15  -3.291   2.310  -2.391
  107    H    CYS  16           H        CYS  16  -4.275   5.641  -0.986
  108    HA   CYS  16           HA       CYS  16  -4.310   8.192  -2.414
  109   1HB   CYS  16          1HB       CYS  16  -4.714   7.128   0.249
  110   2HB   CYS  16          2HB       CYS  16  -3.709   8.577   0.296
  111    HA   PRO  17           HA       PRO  17  -0.034   9.086  -2.787
  112   1HB   PRO  17          1HB       PRO  17  -0.260  11.718  -1.641
  113   2HB   PRO  17          2HB       PRO  17  -0.189  11.280  -3.355
  114   1HG   PRO  17          1HG       PRO  17  -2.453  12.231  -1.867
  115   2HG   PRO  17          2HG       PRO  17  -2.383  11.796  -3.577
  116   1HD   PRO  17          1HD       PRO  17  -3.685  10.362  -1.448
  117   2HD   PRO  17          2HD       PRO  17  -3.580   9.902  -3.166
  118    H    HIS  18           H        HIS  18  -1.606   9.097   0.252
  119    HA   HIS  18           HA       HIS  18   0.796   9.786   1.800
  120   1HB   HIS  18          1HB       HIS  18  -2.030   9.702   2.113
  121   2HB   HIS  18          2HB       HIS  18  -1.312   8.705   3.377
  122    HD1  HIS  18           1HD      HIS  18  -0.003  12.168   1.911
  123    HD2  HIS  18           2HD      HIS  18  -1.121  10.178   5.404
  124    HE1  HIS  18           1HE      HIS  18  -0.284  12.463   6.119
  125    HE2  HIS  18           2HE      HIS  18  -0.282  12.461   6.119
  126    H    LEU  19           H        LEU  19   0.356   7.218   0.034
  127    HA   LEU  19           HA       LEU  19   1.525   5.351   2.053
  128   1HB   LEU  19          1HB       LEU  19  -0.737   4.716   0.127
  129   2HB   LEU  19          2HB       LEU  19  -0.021   3.599   1.288
  130    HG   LEU  19           HG       LEU  19  -0.667   5.694   2.915
  131   1HD1  LEU  19          1HD1      LEU  19  -1.788   6.778   0.914
  132   2HD1  LEU  19          2HD1      LEU  19  -2.949   5.451   0.943
  133   3HD1  LEU  19          3HD1      LEU  19  -2.831   6.548   2.318
  134   1HD2  LEU  19          1HD2      LEU  19  -2.946   3.909   2.537
  135   2HD2  LEU  19          2HD2      LEU  19  -1.851   4.046   3.913
  136   3HD2  LEU  19          3HD2      LEU  19  -1.416   3.030   2.540
  137    H    ALA  20           H        ALA  20   2.030   3.190   0.611
  138    HA   ALA  20           HA       ALA  20   3.216   4.040  -2.001
  139   1HB   ALA  20          1HB       ALA  20   5.130   2.402  -1.061
  140   2HB   ALA  20          2HB       ALA  20   5.130   4.130  -0.705
  141   3HB   ALA  20          3HB       ALA  20   4.505   2.985   0.480
  142    H    CYS  21           H        CYS  21   3.375   2.262  -3.515
  143    HA   CYS  21           HA       CYS  21   1.489   0.072  -2.953
  144   1HB   CYS  21          1HB       CYS  21   1.935   1.574  -5.105
  145   2HB   CYS  21          2HB       CYS  21   3.130   0.325  -5.449
  146    H    LYS  22           H        LYS  22   3.843  -0.077  -1.339
  147    HA   LYS  22           HA       LYS  22   5.881  -1.780  -2.403
  148   1HB   LYS  22          1HB       LYS  22   4.748  -1.180   0.328
  149   2HB   LYS  22          2HB       LYS  22   6.049  -2.350   0.136
  150   1HG   LYS  22          1HG       LYS  22   6.325   0.326  -1.178
  151   2HG   LYS  22          2HG       LYS  22   6.588   0.209   0.561
  152   1HD   LYS  22          1HD       LYS  22   8.116  -1.809  -0.025
  153   2HD   LYS  22          2HD       LYS  22   8.101  -1.150  -1.662
  154   1HE   LYS  22          1HE       LYS  22   9.380   0.671  -1.081
  155   2HE   LYS  22          2HE       LYS  22   8.652   0.794   0.533
  156   1HZ   LYS  22          1HZ       LYS  22  11.049  -0.134   0.295
  157   2HZ   LYS  22          2HZ       LYS  22  10.266  -1.567  -0.171
  158   3HZ   LYS  22          3HZ       LYS  22   9.967  -0.892   1.357
  159    H    SER  23           H        SER  23   5.941  -4.021  -2.613
  160    HA   SER  23           HA       SER  23   3.614  -5.600  -1.612
  161   1HB   SER  23          1HB       SER  23   4.636  -6.205  -4.331
  162   2HB   SER  23          2HB       SER  23   2.983  -6.214  -3.726
  163    HG   SER  23           HG       SER  23   4.585  -4.003  -4.484
  164    H    LYS  24           H        LYS  24   4.933  -6.692  -0.099
  165    HA   LYS  24           HA       LYS  24   6.829  -8.673  -1.284
  166   1HB   LYS  24          1HB       LYS  24   7.394  -7.125   1.261
  167   2HB   LYS  24          2HB       LYS  24   8.519  -8.098   0.313
  168   1HG   LYS  24          1HG       LYS  24   8.524  -6.500  -1.481
  169   2HG   LYS  24          2HG       LYS  24   7.179  -5.607  -0.771
  170   1HD   LYS  24          1HD       LYS  24   8.769  -4.293   0.164
  171   2HD   LYS  24          2HD       LYS  24   9.025  -5.632   1.282
  172   1HE   LYS  24          1HE       LYS  24  10.813  -6.527  -0.093
  173   2HE   LYS  24          2HE       LYS  24  10.480  -5.340  -1.369
  174   1HZ   LYS  24          1HZ       LYS  24  11.155  -3.584  -0.033
  175   2HZ   LYS  24          2HZ       LYS  24  12.296  -4.788   0.341
  176   3HZ   LYS  24          3HZ       LYS  24  11.007  -4.473   1.403
  177    H    TRP  25           H        TRP  25   4.062  -8.789  -0.289
  178    HA   TRP  25           HA       TRP  25   3.987 -11.187   1.127
  179   1HB   TRP  25          1HB       TRP  25   5.145 -10.328   2.978
  180   2HB   TRP  25          2HB       TRP  25   4.406  -8.743   2.833
  181    HD1  TRP  25           HD       TRP  25   2.849  -8.331   4.787
  182    HE1  TRP  25           1HE      TRP  25   1.155  -9.731   6.137
  183    HE3  TRP  25           3HE      TRP  25   3.459 -12.863   2.523
  184    HZ2  TRP  25           2HZ      TRP  25   0.188 -12.424   6.239
  185    HZ3  TRP  25           3HZ      TRP  25   2.142 -14.828   3.264
  186    HH2  TRP  25           HH       TRP  25   0.510 -14.615   5.118
  187    HA   PRO  26           HA       PRO  26  -0.201  -8.737   1.890
  188   1HB   PRO  26          1HB       PRO  26   0.027  -6.403   0.238
  189   2HB   PRO  26          2HB       PRO  26  -0.230  -6.473   1.984
  190   1HG   PRO  26          1HG       PRO  26   2.173  -5.752   0.537
  191   2HG   PRO  26          2HG       PRO  26   1.874  -5.682   2.275
  192   1HD   PRO  26          1HD       PRO  26   3.583  -7.488   0.934
  193   2HD   PRO  26          2HD       PRO  26   3.066  -7.591   2.631
  194    H    ARG  27           H        ARG  27   1.775  -9.003  -0.914
  195    HA   ARG  27           HA       ARG  27   1.351  -9.892  -3.032
  196   1HB   ARG  27          1HB       ARG  27  -0.877 -10.730  -1.299
  197   2HB   ARG  27          2HB       ARG  27  -1.253 -10.753  -3.023
  198   1HG   ARG  27          1HG       ARG  27   0.416 -12.310  -3.501
  199   2HG   ARG  27          2HG       ARG  27   1.352 -11.892  -2.065
  200   1HD   ARG  27          1HD       ARG  27   0.075 -14.143  -2.002
  201   2HD   ARG  27          2HD       ARG  27  -0.167 -13.059  -0.618
  202    HE   ARG  27           HE       ARG  27  -2.067 -12.429  -2.676
  203   1HH1  ARG  27          1HH1      ARG  27  -1.386 -14.333   0.089
  204   2HH1  ARG  27          2HH1      ARG  27  -2.966 -15.040   0.167
  205   1HH2  ARG  27          1HH2      ARG  27  -4.073 -13.539  -2.755
  206   2HH2  ARG  27          2HH2      ARG  27  -4.487 -14.590  -1.443
  207    H    ASN  28           H        ASN  28   1.426  -7.365  -3.334
  208    HA   ASN  28           HA       ASN  28   0.760  -5.719  -4.891
  209   1HB   ASN  28          1HB       ASN  28  -0.272  -7.910  -5.887
  210   2HB   ASN  28          2HB       ASN  28  -1.798  -7.219  -5.336
  211   1HD2  ASN  28          1HD2      ASN  28   1.032  -6.537  -7.428
  212   2HD2  ASN  28          2HD2      ASN  28   0.228  -5.416  -8.416
  213    H    ILE  29           H        ILE  29   0.469  -4.318  -2.943
  214    HA   ILE  29           HA       ILE  29  -2.244  -3.207  -2.920
  215    HB   ILE  29           HB       ILE  29  -2.653  -3.448  -0.576
  216   1HG1  ILE  29          1HG1      ILE  29  -0.973  -4.974   0.722
  217   2HG1  ILE  29          2HG1      ILE  29   0.173  -4.520  -0.540
  218   1HG2  ILE  29          1HG2      ILE  29  -1.692  -6.124  -1.643
  219   2HG2  ILE  29          2HG2      ILE  29  -3.236  -5.376  -2.052
  220   3HG2  ILE  29          3HG2      ILE  29  -2.906  -5.865  -0.392
  221   1HD1  ILE  29          1HD1      ILE  29  -1.360  -2.289   0.663
  222   2HD1  ILE  29          2HD1      ILE  29  -0.224  -3.089   1.738
  223   3HD1  ILE  29          3HD1      ILE  29   0.347  -2.376   0.231
  224    H    CYS  30           H        CYS  30  -2.115  -1.438  -0.925
  225    HA   CYS  30           HA       CYS  30   0.448   0.043  -1.372
  226   1HB   CYS  30          1HB       CYS  30  -2.084   0.619  -2.255
  227   2HB   CYS  30          2HB       CYS  30  -2.022   1.526  -0.742
  228    H    VAL  31           H        VAL  31   1.526  -0.109   0.591
  229    HA   VAL  31           HA       VAL  31  -0.034  -0.072   3.122
  230    HB   VAL  31           HB       VAL  31   2.278  -0.529   4.067
  231   1HG1  VAL  31          1HG1      VAL  31   2.234  -2.816   3.442
  232   2HG1  VAL  31          2HG1      VAL  31   1.552  -2.453   1.857
  233   3HG1  VAL  31          3HG1      VAL  31   0.560  -2.279   3.306
  234   1HG2  VAL  31          1HG2      VAL  31   3.387  -1.342   1.521
  235   2HG2  VAL  31          2HG2      VAL  31   4.097  -0.310   2.761
  236   3HG2  VAL  31          3HG2      VAL  31   3.048   0.387   1.525
  237    H    TRP  32           H        TRP  32  -0.195   1.741   4.331
  238    HA   TRP  32           HA       TRP  32   0.389   4.332   3.654
  239   1HB   TRP  32          1HB       TRP  32  -0.753   4.256   5.628
  240   2HB   TRP  32          2HB       TRP  32  -0.006   2.726   6.081
  241    HD1  TRP  32           HD       TRP  32   2.080   2.781   7.632
  242    HE1  TRP  32           1HE      TRP  32   3.254   4.643   8.963
  243    HE3  TRP  32           3HE      TRP  32  -0.150   6.883   5.560
  244    HZ2  TRP  32           2HZ      TRP  32   3.254   7.505   9.128
  245    HZ3  TRP  32           3HZ      TRP  32   0.457   9.163   6.321
  246    HH2  TRP  32           HH       TRP  32   2.153   9.477   8.101
  247    H    ASP  33           H        ASP  33   2.201   5.754   3.911
  248    HA   ASP  33           HA       ASP  33   4.838   4.365   4.083
  249   1HB   ASP  33          1HB       ASP  33   3.930   5.902   2.155
  250   2HB   ASP  33          2HB       ASP  33   4.366   7.219   3.243
  251    HD2  ASP  33           HD2      ASP  33   7.371   6.623   1.454
  252    H    GLY  34           H        GLY  34   5.185   4.294   6.351
  253   1HA   GLY  34          1HA       GLY  34   5.275   6.959   7.713
  254   2HA   GLY  34          2HA       GLY  34   4.894   5.457   8.557
  255    H    SER  35           H        SER  35   7.008   4.082   6.834
  256    HA   SER  35           HA       SER  35   9.253   4.596   8.675
  257   1HB   SER  35          1HB       SER  35  10.189   2.627   7.391
  258   2HB   SER  35          2HB       SER  35   8.624   2.319   8.135
  259    HG   SER  35           HG       SER  35   9.266   2.081   5.606
  260    H    VAL  36           H        VAL  36   9.371   6.901   7.603
  261    HA   VAL  36           HA       VAL  36  11.644   6.897   5.769
  262    HB   VAL  36           HB       VAL  36   9.743   6.420   4.265
  263   1HG1  VAL  36          1HG1      VAL  36   8.320   8.034   5.998
  264   2HG1  VAL  36          2HG1      VAL  36   7.744   7.478   4.426
  265   3HG1  VAL  36          3HG1      VAL  36   8.503   9.063   4.577
  266   1HG2  VAL  36          1HG2      VAL  36   9.939   8.636   2.892
  267   2HG2  VAL  36          2HG2      VAL  36  11.391   7.673   3.157
  268   3HG2  VAL  36          3HG2      VAL  36  11.093   9.108   4.138
  Start of MODEL   11
    1   1H    ASP   1          1HT       ASP   1  -9.902   5.412  -7.336
    2   2H    ASP   1          2HT       ASP   1 -11.480   5.009  -6.850
    3   3H    ASP   1          3HT       ASP   1 -10.153   4.128  -6.258
    4    HA   ASP   1           HA       ASP   1 -10.256   7.026  -5.751
    5   1HB   ASP   1          1HB       ASP   1 -11.715   6.570  -3.816
    6   2HB   ASP   1          2HB       ASP   1 -12.517   6.100  -5.315
    7    HD2  ASP   1           HD2      ASP   1 -11.103   2.783  -4.002
    8    H    CYS   2           H        CYS   2  -9.200   7.386  -3.597
    9    HA   CYS   2           HA       CYS   2  -6.735   6.032  -3.319
   10   1HB   CYS   2          1HB       CYS   2  -6.629   8.000  -2.187
   11   2HB   CYS   2          2HB       CYS   2  -8.366   8.035  -1.933
   12    H    VAL   3           H        VAL   3  -6.077   4.830  -1.274
   13    HA   VAL   3           HA       VAL   3  -8.205   3.009  -0.244
   14    HB   VAL   3           HB       VAL   3  -5.519   2.162  -1.377
   15   1HG1  VAL   3          1HG1      VAL   3  -6.823  -0.085  -1.380
   16   2HG1  VAL   3          2HG1      VAL   3  -7.915   0.719  -0.253
   17   3HG1  VAL   3          3HG1      VAL   3  -6.214   0.517   0.161
   18   1HG2  VAL   3          1HG2      VAL   3  -6.738   1.374  -3.329
   19   2HG2  VAL   3          2HG2      VAL   3  -7.097   3.085  -3.106
   20   3HG2  VAL   3          3HG2      VAL   3  -8.274   1.866  -2.616
   21    H    ARG   4           H        ARG   4  -7.447   1.874   1.750
   22    HA   ARG   4           HA       ARG   4  -5.610   3.611   3.304
   23   1HB   ARG   4          1HB       ARG   4  -6.713   2.658   5.194
   24   2HB   ARG   4          2HB       ARG   4  -7.971   2.889   3.977
   25   1HG   ARG   4          1HG       ARG   4  -7.425   0.456   3.257
   26   2HG   ARG   4          2HG       ARG   4  -6.621   0.329   4.821
   27   1HD   ARG   4          1HD       ARG   4  -9.451   1.374   4.618
   28   2HD   ARG   4          2HD       ARG   4  -9.115  -0.365   4.734
   29    HE   ARG   4           HE       ARG   4  -8.691   1.603   6.863
   30   1HH1  ARG   4          1HH1      ARG   4  -7.594  -1.340   5.440
   31   2HH1  ARG   4          2HH1      ARG   4  -7.092  -2.034   6.944
   32   1HH2  ARG   4          1HH2      ARG   4  -8.134   0.670   8.849
   33   2HH2  ARG   4          2HH2      ARG   4  -7.396  -0.898   8.872
   34    H    PHE   5           H        PHE   5  -4.604   1.983   5.188
   35    HA   PHE   5           HA       PHE   5  -2.283   0.848   4.176
   36   1HB   PHE   5          1HB       PHE   5  -3.419   1.282   6.605
   37   2HB   PHE   5          2HB       PHE   5  -3.512  -0.476   6.525
   38    HD1  PHE   5           1HD      PHE   5  -1.051  -0.898   4.764
   39    HD2  PHE   5           2HD      PHE   5  -1.702   1.486   8.275
   40    HE1  PHE   5           1HE      PHE   5   1.360  -1.054   5.312
   41    HE2  PHE   5           2HE      PHE   5   0.712   1.328   8.826
   42    HZ   PHE   5           HZ       PHE   5   2.242   0.061   7.339
   43    H    TRP   6           H        TRP   6  -1.806  -1.032   3.101
   44    HA   TRP   6           HA       TRP   6  -2.068  -3.176   2.157
   45   1HB   TRP   6          1HB       TRP   6  -4.051  -3.511   4.426
   46   2HB   TRP   6          2HB       TRP   6  -3.111  -4.777   3.635
   47    HD1  TRP   6           HD       TRP   6  -3.006  -2.430   6.488
   48    HE1  TRP   6           1HE      TRP   6  -0.671  -2.436   7.579
   49    HE3  TRP   6           3HE      TRP   6  -0.372  -4.975   2.929
   50    HZ2  TRP   6           2HZ      TRP   6   1.964  -3.391   7.020
   51    HZ3  TRP   6           3HZ      TRP   6   2.049  -5.416   3.234
   52    HH2  TRP   6           HH       TRP   6   3.219  -4.630   5.274
   53    H    GLY   7           H        GLY   7  -3.177  -1.875   0.429
   54   1HA   GLY   7          1HA       GLY   7  -5.933  -2.923   0.057
   55   2HA   GLY   7          2HA       GLY   7  -5.620  -1.210  -0.226
   56    H    LYS   8           H        LYS   8  -6.015  -3.966  -1.857
   57    HA   LYS   8           HA       LYS   8  -4.036  -4.560  -3.622
   58   1HB   LYS   8          1HB       LYS   8  -6.448  -5.302  -3.636
   59   2HB   LYS   8          2HB       LYS   8  -6.851  -3.791  -4.453
   60   1HG   LYS   8          1HG       LYS   8  -6.415  -4.874  -6.387
   61   2HG   LYS   8          2HG       LYS   8  -4.714  -4.786  -5.931
   62   1HD   LYS   8          1HD       LYS   8  -4.680  -6.970  -5.113
   63   2HD   LYS   8          2HD       LYS   8  -6.420  -6.999  -4.831
   64   1HE   LYS   8          1HE       LYS   8  -6.838  -7.757  -6.933
   65   2HE   LYS   8          2HE       LYS   8  -5.727  -6.577  -7.658
   66   1HZ   LYS   8          1HZ       LYS   8  -4.896  -9.025  -6.191
   67   2HZ   LYS   8          2HZ       LYS   8  -3.862  -7.904  -6.940
   68   3HZ   LYS   8          3HZ       LYS   8  -4.901  -8.867  -7.878
   69    H    CYS   9           H        CYS   9  -2.631  -3.325  -4.770
   70    HA   CYS   9           HA       CYS   9  -3.604  -0.851  -6.109
   71   1HB   CYS   9          1HB       CYS   9  -2.808   0.047  -4.086
   72   2HB   CYS   9          2HB       CYS   9  -1.543  -1.169  -3.937
   73    H    SER  10           H        SER  10  -2.639  -0.605  -8.109
   74    HA   SER  10           HA       SER  10  -0.005  -1.763  -8.701
   75   1HB   SER  10          1HB       SER  10  -0.733  -3.657  -9.716
   76   2HB   SER  10          2HB       SER  10  -2.275  -3.356  -8.923
   77    HG   SER  10           HG       SER  10  -1.466  -2.866 -11.557
   78    H    GLN  11           H        GLN  11   0.751   0.127  -9.631
   79    HA   GLN  11           HA       GLN  11   0.933   1.891 -11.197
   80   1HB   GLN  11          1HB       GLN  11  -0.697  -0.262 -12.527
   81   2HB   GLN  11          2HB       GLN  11  -0.420   1.264 -13.367
   82   1HG   GLN  11          1HG       GLN  11   2.046   0.961 -12.954
   83   2HG   GLN  11          2HG       GLN  11   1.685  -0.651 -12.329
   84   1HE2  GLN  11          1HE2      GLN  11   2.016   1.253 -15.244
   85   2HE2  GLN  11          2HE2      GLN  11   1.695  -0.003 -16.339
   86    H    THR  12           H        THR  12  -0.339   3.693 -12.144
   87    HA   THR  12           HA       THR  12  -2.106   5.261 -12.086
   88    HB   THR  12           HB       THR  12  -4.068   3.175 -11.315
   89    HG1  THR  12           1HG      THR  12  -3.006   2.929 -13.869
   90   1HG2  THR  12          1HG2      THR  12  -3.865   5.541 -12.968
   91   2HG2  THR  12          2HG2      THR  12  -5.308   4.704 -12.400
   92   3HG2  THR  12          3HG2      THR  12  -4.525   4.195 -13.896
   93    H    SER  13           H        SER  13  -0.665   4.309  -9.553
   94    HA   SER  13           HA       SER  13  -0.786   4.773  -7.242
   95   1HB   SER  13          1HB       SER  13  -1.233   7.004  -7.879
   96   2HB   SER  13          2HB       SER  13  -2.818   6.595  -8.523
   97    HG   SER  13           HG       SER  13  -2.011   6.571  -5.799
   98    H    ASP  14           H        ASP  14  -4.224   5.328  -7.720
   99    HA   ASP  14           HA       ASP  14  -6.118   3.996  -7.190
  100   1HB   ASP  14          1HB       ASP  14  -4.214   1.878  -6.178
  101   2HB   ASP  14          2HB       ASP  14  -5.842   1.673  -6.816
  102    HD2  ASP  14           HD2      ASP  14  -4.523   2.388 -10.101
  103    H    CYS  15           H        CYS  15  -3.557   3.270  -4.756
  104    HA   CYS  15           HA       CYS  15  -5.418   3.655  -2.556
  105   1HB   CYS  15          1HB       CYS  15  -3.337   3.348  -1.218
  106   2HB   CYS  15          2HB       CYS  15  -3.532   2.106  -2.453
  107    H    CYS  16           H        CYS  16  -4.189   5.208  -0.695
  108    HA   CYS  16           HA       CYS  16  -4.633   7.911  -1.702
  109   1HB   CYS  16          1HB       CYS  16  -4.333   6.485   0.819
  110   2HB   CYS  16          2HB       CYS  16  -3.496   8.036   0.838
  111    HA   PRO  17           HA       PRO  17  -0.518   8.978  -2.888
  112   1HB   PRO  17          1HB       PRO  17  -0.764  11.627  -1.787
  113   2HB   PRO  17          2HB       PRO  17  -0.920  11.137  -3.479
  114   1HG   PRO  17          1HG       PRO  17  -2.998  11.989  -1.697
  115   2HG   PRO  17          2HG       PRO  17  -3.155  11.481  -3.380
  116   1HD   PRO  17          1HD       PRO  17  -3.998  10.053  -1.020
  117   2HD   PRO  17          2HD       PRO  17  -4.142   9.537  -2.716
  118    H    HIS  18           H        HIS  18  -1.669   9.073   0.338
  119    HA   HIS  18           HA       HIS  18   0.896   9.899   1.522
  120   1HB   HIS  18          1HB       HIS  18  -1.863   9.744   2.205
  121   2HB   HIS  18          2HB       HIS  18  -0.952   8.825   3.402
  122    HD1  HIS  18           1HD      HIS  18  -0.100  12.316   1.662
  123    HD2  HIS  18           2HD      HIS  18  -0.434  10.341   5.323
  124    HE1  HIS  18           1HE      HIS  18   0.370  12.686   5.847
  125    HE2  HIS  18           2HE      HIS  18   0.369  12.687   5.846
  126    H    LEU  19           H        LEU  19   0.138   7.201  -0.022
  127    HA   LEU  19           HA       LEU  19   1.596   5.437   1.917
  128   1HB   LEU  19          1HB       LEU  19  -0.778   4.789   0.140
  129   2HB   LEU  19          2HB       LEU  19   0.070   3.626   1.157
  130    HG   LEU  19           HG       LEU  19  -0.473   5.627   2.951
  131   1HD1  LEU  19          1HD1      LEU  19  -2.290   6.842   2.381
  132   2HD1  LEU  19          2HD1      LEU  19  -2.049   6.250   0.736
  133   3HD1  LEU  19          3HD1      LEU  19  -3.154   5.407   1.823
  134   1HD2  LEU  19          1HD2      LEU  19  -2.713   3.781   2.754
  135   2HD2  LEU  19          2HD2      LEU  19  -1.451   3.867   3.982
  136   3HD2  LEU  19          3HD2      LEU  19  -1.180   2.946   2.502
  137    H    ALA  20           H        ALA  20   2.085   3.272   0.454
  138    HA   ALA  20           HA       ALA  20   3.118   4.151  -2.212
  139   1HB   ALA  20          1HB       ALA  20   5.025   2.434  -1.001
  140   2HB   ALA  20          2HB       ALA  20   5.203   4.156  -1.345
  141   3HB   ALA  20          3HB       ALA  20   4.581   3.627   0.219
  142    H    CYS  21           H        CYS  21   3.244   2.418  -3.735
  143    HA   CYS  21           HA       CYS  21   1.588   0.073  -3.069
  144   1HB   CYS  21          1HB       CYS  21   1.785   1.664  -5.214
  145   2HB   CYS  21          2HB       CYS  21   2.993   0.470  -5.679
  146    H    LYS  22           H        LYS  22   2.732  -1.478  -1.928
  147    HA   LYS  22           HA       LYS  22   4.779  -3.030  -3.214
  148   1HB   LYS  22          1HB       LYS  22   6.604  -2.289  -1.548
  149   2HB   LYS  22          2HB       LYS  22   6.219  -1.159  -2.847
  150   1HG   LYS  22          1HG       LYS  22   5.272   0.360  -1.428
  151   2HG   LYS  22          2HG       LYS  22   4.584  -0.890  -0.390
  152   1HD   LYS  22          1HD       LYS  22   6.423  -0.971   0.958
  153   2HD   LYS  22          2HD       LYS  22   7.540  -0.726  -0.385
  154   1HE   LYS  22          1HE       LYS  22   7.370   1.603  -0.280
  155   2HE   LYS  22          2HE       LYS  22   5.769   1.546   0.485
  156   1HZ   LYS  22          1HZ       LYS  22   7.839   2.013   1.945
  157   2HZ   LYS  22          2HZ       LYS  22   8.087   0.336   1.838
  158   3HZ   LYS  22          3HZ       LYS  22   6.652   0.944   2.511
  159    H    SER  23           H        SER  23   4.229  -5.005  -2.332
  160    HA   SER  23           HA       SER  23   3.896  -5.158   0.633
  161   1HB   SER  23          1HB       SER  23   2.058  -6.947  -0.373
  162   2HB   SER  23          2HB       SER  23   1.684  -5.324   0.195
  163    HG   SER  23           HG       SER  23   1.689  -6.342  -2.332
  164    H    LYS  24           H        LYS  24   4.193  -7.350   1.471
  165    HA   LYS  24           HA       LYS  24   5.731  -9.157  -0.370
  166   1HB   LYS  24          1HB       LYS  24   7.031  -9.672   1.777
  167   2HB   LYS  24          2HB       LYS  24   7.268  -8.052   1.118
  168   1HG   LYS  24          1HG       LYS  24   6.138  -7.037   2.834
  169   2HG   LYS  24          2HG       LYS  24   5.010  -8.381   3.023
  170   1HD   LYS  24          1HD       LYS  24   7.856  -8.930   3.698
  171   2HD   LYS  24          2HD       LYS  24   6.971  -7.880   4.805
  172   1HE   LYS  24          1HE       LYS  24   5.370  -9.557   5.301
  173   2HE   LYS  24          2HE       LYS  24   5.810 -10.516   3.873
  174   1HZ   LYS  24          1HZ       LYS  24   6.798 -11.118   6.201
  175   2HZ   LYS  24          2HZ       LYS  24   7.884  -9.861   5.847
  176   3HZ   LYS  24          3HZ       LYS  24   7.767 -11.204   4.812
  177    H    TRP  25           H        TRP  25   2.918  -9.324   0.148
  178    HA   TRP  25           HA       TRP  25   2.550 -12.037   0.795
  179   1HB   TRP  25          1HB       TRP  25   3.278 -11.690   3.000
  180   2HB   TRP  25          2HB       TRP  25   2.500 -10.115   3.115
  181    HD1  TRP  25           HD       TRP  25   0.963 -10.648   5.165
  182    HE1  TRP  25           1HE      TRP  25  -1.067 -12.202   5.498
  183    HE3  TRP  25           3HE      TRP  25   1.272 -13.431   0.896
  184    HZ2  TRP  25           2HZ      TRP  25  -2.386 -14.345   4.135
  185    HZ3  TRP  25           3HZ      TRP  25  -0.382 -15.220   0.439
  186    HH2  TRP  25           HH       TRP  25  -2.209 -15.680   2.051
  187    HA   PRO  26           HA       PRO  26  -1.741  -9.692   1.212
  188   1HB   PRO  26          1HB       PRO  26  -1.206  -7.011   0.308
  189   2HB   PRO  26          2HB       PRO  26  -1.849  -7.527   1.868
  190   1HG   PRO  26          1HG       PRO  26   0.808  -6.557   1.244
  191   2HG   PRO  26          2HG       PRO  26   0.111  -6.915   2.824
  192   1HD   PRO  26          1HD       PRO  26   2.127  -8.392   1.509
  193   2HD   PRO  26          2HD       PRO  26   1.217  -8.904   2.948
  194    H    ARG  27           H        ARG  27   0.814  -9.375  -1.080
  195    HA   ARG  27           HA       ARG  27   0.861  -9.778  -3.387
  196   1HB   ARG  27          1HB       ARG  27  -1.626 -10.890  -2.366
  197   2HB   ARG  27          2HB       ARG  27  -1.793 -10.360  -4.041
  198   1HG   ARG  27          1HG       ARG  27   0.311 -11.610  -4.579
  199   2HG   ARG  27          2HG       ARG  27   0.312 -12.234  -2.929
  200   1HD   ARG  27          1HD       ARG  27  -0.743 -13.850  -4.503
  201   2HD   ARG  27          2HD       ARG  27  -1.928 -13.247  -3.327
  202    HE   ARG  27           HE       ARG  27  -1.815 -11.543  -5.665
  203   1HH1  ARG  27          1HH2      ARG  27  -2.169 -14.274  -6.851
  204   2HH1  ARG  27          2HH2      ARG  27  -3.892 -14.450  -6.846
  205   1HH2  ARG  27          1HH1      ARG  27  -4.413 -11.859  -4.602
  206   2HH2  ARG  27          2HH1      ARG  27  -5.163 -13.082  -5.573
  207    H    ASN  28           H        ASN  28   1.290  -7.601  -3.903
  208    HA   ASN  28           HA       ASN  28   0.908  -5.566  -5.006
  209   1HB   ASN  28          1HB       ASN  28  -1.361  -7.348  -5.878
  210   2HB   ASN  28          2HB       ASN  28  -1.135  -5.737  -6.558
  211   1HD2  ASN  28          1HD2      ASN  28   1.671  -5.590  -6.732
  212   2HD2  ASN  28          2HD2      ASN  28   2.234  -6.780  -7.805
  213    H    ILE  29           H        ILE  29   0.524  -4.321  -3.037
  214    HA   ILE  29           HA       ILE  29  -2.201  -3.190  -2.977
  215    HB   ILE  29           HB       ILE  29  -2.556  -3.573  -0.640
  216   1HG1  ILE  29          1HG1      ILE  29  -0.789  -5.148   0.508
  217   2HG1  ILE  29          2HG1      ILE  29   0.294  -4.565  -0.753
  218   1HG2  ILE  29          1HG2      ILE  29  -3.060  -5.435  -2.288
  219   2HG2  ILE  29          2HG2      ILE  29  -2.831  -5.970  -0.622
  220   3HG2  ILE  29          3HG2      ILE  29  -1.540  -6.186  -1.805
  221   1HD1  ILE  29          1HD1      ILE  29   0.444  -2.483   0.162
  222   2HD1  ILE  29          2HD1      ILE  29  -1.259  -2.454   0.616
  223   3HD1  ILE  29          3HD1      ILE  29  -0.090  -3.292   1.635
  224    H    CYS  30           H        CYS  30  -2.077  -1.479  -0.973
  225    HA   CYS  30           HA       CYS  30   0.480   0.028  -1.398
  226   1HB   CYS  30          1HB       CYS  30  -1.993   0.652  -2.255
  227   2HB   CYS  30          2HB       CYS  30  -2.074   1.354  -0.639
  228    H    VAL  31           H        VAL  31   1.649   0.009   0.490
  229    HA   VAL  31           HA       VAL  31   0.203  -0.207   3.088
  230    HB   VAL  31           HB       VAL  31   2.532  -0.644   3.919
  231   1HG1  VAL  31          1HG1      VAL  31   0.961  -2.429   3.017
  232   2HG1  VAL  31          2HG1      VAL  31   2.676  -2.843   2.984
  233   3HG1  VAL  31          3HG1      VAL  31   1.861  -2.336   1.503
  234   1HG2  VAL  31          1HG2      VAL  31   3.732  -1.108   1.344
  235   2HG2  VAL  31          2HG2      VAL  31   4.298  -0.070   2.653
  236   3HG2  VAL  31          3HG2      VAL  31   3.188   0.568   1.442
  237    H    TRP  32           H        TRP  32   0.115   1.492   4.491
  238    HA   TRP  32           HA       TRP  32   0.471   4.159   3.861
  239   1HB   TRP  32          1HB       TRP  32  -0.569   3.895   5.882
  240   2HB   TRP  32          2HB       TRP  32   0.352   2.440   6.252
  241    HD1  TRP  32           HD       TRP  32   2.366   2.661   7.834
  242    HE1  TRP  32           1HE      TRP  32   3.474   4.616   9.090
  243    HE3  TRP  32           3HE      TRP  32  -0.040   6.594   5.637
  244    HZ2  TRP  32           2HZ      TRP  32   3.359   7.476   9.155
  245    HZ3  TRP  32           3HZ      TRP  32   0.480   8.922   6.313
  246    HH2  TRP  32           HH       TRP  32   2.174   9.367   8.068
  247    H    ASP  33           H        ASP  33   2.206   5.653   4.005
  248    HA   ASP  33           HA       ASP  33   4.928   4.425   4.069
  249   1HB   ASP  33          1HB       ASP  33   4.243   5.632   2.045
  250   2HB   ASP  33          2HB       ASP  33   3.846   7.055   3.009
  251    HD2  ASP  33           HD2      ASP  33   7.089   8.025   2.382
  252    H    GLY  34           H        GLY  34   5.890   4.620   6.063
  253   1HA   GLY  34          1HA       GLY  34   6.616   7.023   7.267
  254   2HA   GLY  34          2HA       GLY  34   5.069   6.607   8.006
  255    H    SER  35           H        SER  35   5.588   3.697   7.763
  256    HA   SER  35           HA       SER  35   7.155   3.399  10.240
  257   1HB   SER  35          1HB       SER  35   6.402   0.958   9.781
  258   2HB   SER  35          2HB       SER  35   5.146   2.149  10.113
  259    HG   SER  35           HG       SER  35   5.738   0.770   7.805
  260    H    VAL  36           H        VAL  36   9.052   4.251   8.616
  261    HA   VAL  36           HA       VAL  36  10.759   1.910   8.165
  262    HB   VAL  36           HB       VAL  36   9.190   2.134   6.165
  263   1HG1  VAL  36          1HG1      VAL  36   9.278   4.662   6.200
  264   2HG1  VAL  36          2HG1      VAL  36   9.566   3.944   4.615
  265   3HG1  VAL  36          3HG1      VAL  36  10.922   4.549   5.568
  266   1HG2  VAL  36          1HG2      VAL  36  11.681   1.219   6.270
  267   2HG2  VAL  36          2HG2      VAL  36  12.000   2.618   5.242
  268   3HG2  VAL  36          3HG2      VAL  36  10.848   1.386   4.724
  Start of MODEL   12
    1   1H    ASP   1          1HT       ASP   1 -10.232   5.040  -6.795
    2   2H    ASP   1          2HT       ASP   1 -10.299   6.737  -6.834
    3   3H    ASP   1          3HT       ASP   1 -11.719   5.823  -7.015
    4    HA   ASP   1           HA       ASP   1 -11.329   6.875  -4.743
    5   1HB   ASP   1          1HB       ASP   1 -12.841   4.923  -5.578
    6   2HB   ASP   1          2HB       ASP   1 -11.667   3.878  -4.778
    7    HD2  ASP   1           HD2      ASP   1 -13.753   4.506  -2.057
    8    H    CYS   2           H        CYS   2  -9.514   7.317  -3.551
    9    HA   CYS   2           HA       CYS   2  -7.075   5.882  -3.584
   10   1HB   CYS   2          1HB       CYS   2  -6.604   7.802  -2.493
   11   2HB   CYS   2          2HB       CYS   2  -8.321   8.119  -2.283
   12    H    VAL   3           H        VAL   3  -6.178   4.825  -1.455
   13    HA   VAL   3           HA       VAL   3  -8.259   3.093  -0.187
   14    HB   VAL   3           HB       VAL   3  -5.596   2.140  -1.263
   15   1HG1  VAL   3          1HG1      VAL   3  -8.112   0.809  -0.240
   16   2HG1  VAL   3          2HG1      VAL   3  -6.468   0.634   0.372
   17   3HG1  VAL   3          3HG1      VAL   3  -6.910  -0.063  -1.187
   18   1HG2  VAL   3          1HG2      VAL   3  -8.318   1.902  -2.581
   19   2HG2  VAL   3          2HG2      VAL   3  -6.779   1.327  -3.224
   20   3HG2  VAL   3          3HG2      VAL   3  -7.081   3.057  -3.073
   21    H    ARG   4           H        ARG   4  -7.228   1.881   1.730
   22    HA   ARG   4           HA       ARG   4  -5.410   3.765   3.175
   23   1HB   ARG   4          1HB       ARG   4  -7.171   1.548   4.256
   24   2HB   ARG   4          2HB       ARG   4  -6.460   2.886   5.161
   25   1HG   ARG   4          1HG       ARG   4  -7.815   4.265   3.257
   26   2HG   ARG   4          2HG       ARG   4  -8.853   2.847   3.409
   27   1HD   ARG   4          1HD       ARG   4  -7.924   4.012   5.978
   28   2HD   ARG   4          2HD       ARG   4  -9.069   5.001   5.051
   29    HE   ARG   4           HE       ARG   4  -9.695   2.117   5.389
   30   1HH1  ARG   4          1HH2      ARG   4 -10.985   5.135   4.907
   31   2HH1  ARG   4          2HH2      ARG   4 -12.248   5.000   6.083
   32   1HH2  ARG   4          1HH1      ARG   4 -11.025   2.051   7.441
   33   2HH2  ARG   4          2HH1      ARG   4 -12.270   3.253   7.520
   34    H    PHE   5           H        PHE   5  -4.428   2.174   5.127
   35    HA   PHE   5           HA       PHE   5  -2.159   0.935   4.131
   36   1HB   PHE   5          1HB       PHE   5  -3.241   1.478   6.547
   37   2HB   PHE   5          2HB       PHE   5  -3.451  -0.272   6.521
   38    HD1  PHE   5           1HD      PHE   5  -1.022  -0.852   4.725
   39    HD2  PHE   5           2HD      PHE   5  -1.519   1.559   8.241
   40    HE1  PHE   5           1HE      PHE   5   1.375  -1.151   5.265
   41    HE2  PHE   5           2HE      PHE   5   0.884   1.264   8.781
   42    HZ   PHE   5           HZ       PHE   5   2.331  -0.091   7.290
   43    H    TRP   6           H        TRP   6  -1.768  -0.964   3.055
   44    HA   TRP   6           HA       TRP   6  -2.092  -3.133   2.175
   45   1HB   TRP   6          1HB       TRP   6  -4.202  -3.347   4.344
   46   2HB   TRP   6          2HB       TRP   6  -3.263  -4.656   3.627
   47    HD1  TRP   6           HD       TRP   6  -3.181  -2.092   6.347
   48    HE1  TRP   6           1HE      TRP   6  -0.947  -2.239   7.627
   49    HE3  TRP   6           3HE      TRP   6  -0.595  -5.224   3.260
   50    HZ2  TRP   6           2HZ      TRP   6   1.594  -3.519   7.380
   51    HZ3  TRP   6           3HZ      TRP   6   1.726  -5.897   3.807
   52    HH2  TRP   6           HH       TRP   6   2.824  -5.048   5.861
   53    H    GLY   7           H        GLY   7  -3.121  -1.587   0.476
   54   1HA   GLY   7          1HA       GLY   7  -5.930  -2.495   0.033
   55   2HA   GLY   7          2HA       GLY   7  -5.418  -0.852  -0.350
   56    H    LYS   8           H        LYS   8  -6.072  -3.687  -1.786
   57    HA   LYS   8           HA       LYS   8  -4.142  -4.562  -3.489
   58   1HB   LYS   8          1HB       LYS   8  -7.032  -4.073  -3.616
   59   2HB   LYS   8          2HB       LYS   8  -6.276  -4.115  -5.208
   60   1HG   LYS   8          1HG       LYS   8  -5.311  -6.296  -4.757
   61   2HG   LYS   8          2HG       LYS   8  -5.883  -6.246  -3.088
   62   1HD   LYS   8          1HD       LYS   8  -8.217  -6.188  -3.886
   63   2HD   LYS   8          2HD       LYS   8  -7.648  -6.243  -5.553
   64   1HE   LYS   8          1HE       LYS   8  -7.999  -8.512  -5.221
   65   2HE   LYS   8          2HE       LYS   8  -6.341  -8.403  -4.594
   66   1HZ   LYS   8          1HZ       LYS   8  -8.660  -7.812  -2.861
   67   2HZ   LYS   8          2HZ       LYS   8  -7.082  -8.258  -2.415
   68   3HZ   LYS   8          3HZ       LYS   8  -8.138  -9.412  -3.080
   69    H    CYS   9           H        CYS   9  -2.662  -3.535  -4.767
   70    HA   CYS   9           HA       CYS   9  -3.444  -1.127  -6.308
   71   1HB   CYS   9          1HB       CYS   9  -2.783  -0.112  -4.272
   72   2HB   CYS   9          2HB       CYS   9  -1.494  -1.283  -4.009
   73    H    SER  10           H        SER  10  -2.027  -0.767  -8.089
   74    HA   SER  10           HA       SER  10  -0.123  -3.004  -8.650
   75   1HB   SER  10          1HB       SER  10  -2.220  -2.236 -10.080
   76   2HB   SER  10          2HB       SER  10  -1.102  -1.010 -10.670
   77    HG   SER  10           HG       SER  10  -1.084  -3.780 -10.993
   78    H    GLN  11           H        GLN  11  -0.487   0.539  -8.845
   79    HA   GLN  11           HA       GLN  11   2.486   0.789  -8.633
   80   1HB   GLN  11          1HB       GLN  11   0.588   1.759 -10.732
   81   2HB   GLN  11          2HB       GLN  11   1.936   2.812 -10.299
   82   1HG   GLN  11          1HG       GLN  11   3.415   0.711 -10.581
   83   2HG   GLN  11          2HG       GLN  11   2.031   0.014 -11.425
   84   1HE2  GLN  11          1HE2      GLN  11   4.865   1.522 -12.097
   85   2HE2  GLN  11          2HE2      GLN  11   4.436   2.361 -13.509
   86    H    THR  12           H        THR  12   2.876   3.373  -8.333
   87    HA   THR  12           HA       THR  12   1.521   4.079  -5.864
   88    HB   THR  12           HB       THR  12   3.885   4.599  -6.396
   89    HG1  THR  12           1HG      THR  12   2.079   6.723  -5.961
   90   1HG2  THR  12          1HG2      THR  12   3.347   6.884  -8.111
   91   2HG2  THR  12          2HG2      THR  12   2.809   5.381  -8.857
   92   3HG2  THR  12          3HG2      THR  12   4.486   5.557  -8.344
   93    H    SER  13           H        SER  13  -0.716   4.329  -6.373
   94    HA   SER  13           HA       SER  13  -1.552   6.944  -7.198
   95   1HB   SER  13          1HB       SER  13  -0.749   6.179  -9.367
   96   2HB   SER  13          2HB       SER  13  -1.688   4.697  -9.229
   97    HG   SER  13           HG       SER  13  -3.459   6.488  -8.892
   98    H    ASP  14           H        ASP  14  -2.736   3.590  -7.701
   99    HA   ASP  14           HA       ASP  14  -5.437   3.867  -7.270
  100   1HB   ASP  14          1HB       ASP  14  -3.587   1.824  -7.345
  101   2HB   ASP  14          2HB       ASP  14  -4.240   1.673  -5.713
  102    HD2  ASP  14           HD2      ASP  14  -7.517   1.308  -7.195
  103    H    CYS  15           H        CYS  15  -3.434   2.833  -4.494
  104    HA   CYS  15           HA       CYS  15  -5.292   3.570  -2.494
  105   1HB   CYS  15          1HB       CYS  15  -3.343   3.341  -1.007
  106   2HB   CYS  15          2HB       CYS  15  -3.309   2.091  -2.249
  107    H    CYS  16           H        CYS  16  -4.212   5.273  -0.694
  108    HA   CYS  16           HA       CYS  16  -4.619   7.902  -1.898
  109   1HB   CYS  16          1HB       CYS  16  -4.546   6.615   0.700
  110   2HB   CYS  16          2HB       CYS  16  -3.661   8.140   0.724
  111    HA   PRO  17           HA       PRO  17  -0.451   9.063  -2.747
  112   1HB   PRO  17          1HB       PRO  17  -0.764  11.675  -1.575
  113   2HB   PRO  17          2HB       PRO  17  -0.821  11.241  -3.289
  114   1HG   PRO  17          1HG       PRO  17  -2.997  12.038  -1.606
  115   2HG   PRO  17          2HG       PRO  17  -3.059  11.573  -3.308
  116   1HD   PRO  17          1HD       PRO  17  -4.023  10.084  -1.030
  117   2HD   PRO  17          2HD       PRO  17  -4.088   9.619  -2.746
  118    H    HIS  18           H        HIS  18  -1.742   8.983   0.423
  119    HA   HIS  18           HA       HIS  18   0.750   9.825   1.746
  120   1HB   HIS  18          1HB       HIS  18  -2.026   9.615   2.306
  121   2HB   HIS  18          2HB       HIS  18  -1.157   8.660   3.507
  122    HD1  HIS  18           1HD      HIS  18  -0.298  12.226   1.936
  123    HD2  HIS  18           2HD      HIS  18  -0.707  10.099   5.501
  124    HE1  HIS  18           1HE      HIS  18   0.038  12.434   6.144
  125    HE2  HIS  18           2HE      HIS  18   0.037  12.434   6.144
  126    H    LEU  19           H        LEU  19   0.035   7.123   0.126
  127    HA   LEU  19           HA       LEU  19   1.558   5.378   2.029
  128   1HB   LEU  19          1HB       LEU  19  -0.862   4.677   0.328
  129   2HB   LEU  19          2HB       LEU  19   0.037   3.538   1.332
  130    HG   LEU  19           HG       LEU  19  -0.484   5.531   3.130
  131   1HD1  LEU  19          1HD1      LEU  19  -2.075   6.883   2.255
  132   2HD1  LEU  19          2HD1      LEU  19  -2.383   5.781   0.913
  133   3HD1  LEU  19          3HD1      LEU  19  -3.179   5.526   2.467
  134   1HD2  LEU  19          1HD2      LEU  19  -1.253   2.846   2.639
  135   2HD2  LEU  19          2HD2      LEU  19  -2.725   3.719   3.065
  136   3HD2  LEU  19          3HD2      LEU  19  -1.346   3.724   4.166
  137    H    ALA  20           H        ALA  20   2.015   3.205   0.498
  138    HA   ALA  20           HA       ALA  20   2.923   4.167  -2.183
  139   1HB   ALA  20          1HB       ALA  20   5.053   2.699  -1.381
  140   2HB   ALA  20          2HB       ALA  20   4.940   4.437  -1.111
  141   3HB   ALA  20          3HB       ALA  20   4.515   3.317   0.182
  142    H    CYS  21           H        CYS  21   3.189   2.415  -3.708
  143    HA   CYS  21           HA       CYS  21   1.588   0.028  -3.050
  144   1HB   CYS  21          1HB       CYS  21   1.761   1.583  -5.217
  145   2HB   CYS  21          2HB       CYS  21   3.044   0.448  -5.631
  146    H    LYS  22           H        LYS  22   3.660  -0.203  -1.417
  147    HA   LYS  22           HA       LYS  22   6.014  -1.447  -2.596
  148   1HB   LYS  22          1HB       LYS  22   5.030  -1.604   0.261
  149   2HB   LYS  22          2HB       LYS  22   6.696  -1.629  -0.311
  150   1HG   LYS  22          1HG       LYS  22   5.530   0.754  -1.316
  151   2HG   LYS  22          2HG       LYS  22   5.075   0.646   0.386
  152   1HD   LYS  22          1HD       LYS  22   7.184   1.067   1.073
  153   2HD   LYS  22          2HD       LYS  22   7.861  -0.109  -0.058
  154   1HE   LYS  22          1HE       LYS  22   7.457   1.637  -1.896
  155   2HE   LYS  22          2HE       LYS  22   7.189   2.798  -0.580
  156   1HZ   LYS  22          1HZ       LYS  22   9.320   2.581   0.180
  157   2HZ   LYS  22          2HZ       LYS  22   9.593   2.346  -1.482
  158   3HZ   LYS  22          3HZ       LYS  22   9.510   1.011  -0.432
  159    H    SER  23           H        SER  23   6.442  -3.631  -2.765
  160    HA   SER  23           HA       SER  23   4.285  -5.545  -1.945
  161   1HB   SER  23          1HB       SER  23   5.767  -5.142  -4.535
  162   2HB   SER  23          2HB       SER  23   5.109  -6.725  -4.139
  163    HG   SER  23           HG       SER  23   3.708  -5.196  -5.330
  164    H    LYS  24           H        LYS  24   6.361  -5.207  -0.206
  165    HA   LYS  24           HA       LYS  24   8.363  -7.342  -0.834
  166   1HB   LYS  24          1HB       LYS  24   8.336  -5.355   1.452
  167   2HB   LYS  24          2HB       LYS  24   9.721  -6.238   0.807
  168   1HG   LYS  24          1HG       LYS  24   9.437  -5.028  -1.358
  169   2HG   LYS  24          2HG       LYS  24   8.137  -4.086  -0.628
  170   1HD   LYS  24          1HD       LYS  24  10.299  -3.942   1.181
  171   2HD   LYS  24          2HD       LYS  24  10.992  -3.689  -0.423
  172   1HE   LYS  24          1HE       LYS  24   9.628  -1.802  -0.847
  173   2HE   LYS  24          2HE       LYS  24   8.487  -2.231   0.443
  174   1HZ   LYS  24          1HZ       LYS  24  10.294  -1.951   2.053
  175   2HZ   LYS  24          2HZ       LYS  24   9.980  -0.508   1.214
  176   3HZ   LYS  24          3HZ       LYS  24  11.333  -1.451   0.810
  177    H    TRP  25           H        TRP  25   5.466  -7.619   0.122
  178    HA   TRP  25           HA       TRP  25   5.703  -9.886   1.770
  179   1HB   TRP  25          1HB       TRP  25   6.599  -8.747   3.570
  180   2HB   TRP  25          2HB       TRP  25   5.810  -7.235   3.148
  181    HD1  TRP  25           HD       TRP  25   4.202  -6.626   5.020
  182    HE1  TRP  25           1HE      TRP  25   2.466  -7.886   6.446
  183    HE3  TRP  25           3HE      TRP  25   4.936 -11.382   3.310
  184    HZ2  TRP  25           2HZ      TRP  25   1.512 -10.557   6.817
  185    HZ3  TRP  25           3HZ      TRP  25   3.600 -13.264   4.217
  186    HH2  TRP  25           HH       TRP  25   1.892 -12.858   5.966
  187    HA   PRO  26           HA       PRO  26   1.155  -8.121   2.097
  188   1HB   PRO  26          1HB       PRO  26   1.126  -5.743   0.488
  189   2HB   PRO  26          2HB       PRO  26   0.780  -5.883   2.211
  190   1HG   PRO  26          1HG       PRO  26   3.109  -4.750   0.941
  191   2HG   PRO  26          2HG       PRO  26   2.722  -4.808   2.663
  192   1HD   PRO  26          1HD       PRO  26   4.742  -6.292   1.305
  193   2HD   PRO  26          2HD       PRO  26   4.229  -6.477   2.999
  194    H    ARG  27           H        ARG  27   2.998  -7.130  -0.767
  195    HA   ARG  27           HA       ARG  27   2.911  -7.840  -3.004
  196   1HB   ARG  27          1HB       ARG  27   1.196 -10.045  -1.831
  197   2HB   ARG  27          2HB       ARG  27   2.084 -10.099  -3.350
  198   1HG   ARG  27          1HG       ARG  27   4.189 -10.076  -2.247
  199   2HG   ARG  27          2HG       ARG  27   3.464  -9.600  -0.712
  200   1HD   ARG  27          1HD       ARG  27   3.123 -12.275  -2.117
  201   2HD   ARG  27          2HD       ARG  27   3.962 -11.979  -0.583
  202    HE   ARG  27           HE       ARG  27   1.516 -10.936  -0.036
  203   1HH1  ARG  27          1HH2      ARG  27   2.238 -13.624   1.045
  204   2HH1  ARG  27          2HH2      ARG  27   0.969 -14.628   0.420
  205   1HH2  ARG  27          1HH1      ARG  27  -0.027 -12.331  -1.979
  206   2HH2  ARG  27          2HH1      ARG  27  -0.312 -13.894  -1.290
  207    H    ASN  28           H        ASN  28   1.756  -6.726  -4.446
  208    HA   ASN  28           HA       ASN  28  -0.046  -5.936  -5.719
  209   1HB   ASN  28          1HB       ASN  28  -1.542  -8.099  -4.221
  210   2HB   ASN  28          2HB       ASN  28  -1.985  -7.392  -5.774
  211   1HD2  ASN  28          1HD2      ASN  28  -1.011  -8.264  -7.648
  212   2HD2  ASN  28          2HD2      ASN  28   0.198  -9.455  -7.618
  213    H    ILE  29           H        ILE  29   0.404  -4.512  -3.200
  214    HA   ILE  29           HA       ILE  29  -2.263  -3.282  -2.988
  215    HB   ILE  29           HB       ILE  29  -2.558  -3.610  -0.653
  216   1HG1  ILE  29          1HG1      ILE  29  -0.754  -5.222   0.452
  217   2HG1  ILE  29          2HG1      ILE  29   0.286  -4.571  -0.813
  218   1HG2  ILE  29          1HG2      ILE  29  -2.778  -6.042  -0.502
  219   2HG2  ILE  29          2HG2      ILE  29  -1.652  -6.258  -1.840
  220   3HG2  ILE  29          3HG2      ILE  29  -3.225  -5.512  -2.122
  221   1HD1  ILE  29          1HD1      ILE  29  -0.181  -3.376   1.629
  222   2HD1  ILE  29          2HD1      ILE  29   0.431  -2.547   0.198
  223   3HD1  ILE  29          3HD1      ILE  29  -1.294  -2.516   0.566
  224    H    CYS  30           H        CYS  30  -1.995  -1.603  -0.973
  225    HA   CYS  30           HA       CYS  30   0.588  -0.152  -1.445
  226   1HB   CYS  30          1HB       CYS  30  -1.677   0.597  -2.502
  227   2HB   CYS  30          2HB       CYS  30  -2.085   1.113  -0.868
  228    H    VAL  31           H        VAL  31   1.703  -0.058   0.472
  229    HA   VAL  31           HA       VAL  31   0.180  -0.195   3.035
  230    HB   VAL  31           HB       VAL  31   2.514  -0.682   3.910
  231   1HG1  VAL  31          1HG1      VAL  31   1.935  -2.582   1.671
  232   2HG1  VAL  31          2HG1      VAL  31   0.701  -2.346   2.907
  233   3HG1  VAL  31          3HG1      VAL  31   2.305  -2.925   3.361
  234   1HG2  VAL  31          1HG2      VAL  31   3.472  -1.315   1.207
  235   2HG2  VAL  31          2HG2      VAL  31   4.322  -0.552   2.550
  236   3HG2  VAL  31          3HG2      VAL  31   3.285   0.414   1.500
  237    H    TRP  32           H        TRP  32   0.202   1.493   4.456
  238    HA   TRP  32           HA       TRP  32   0.699   4.144   3.797
  239   1HB   TRP  32          1HB       TRP  32  -0.397   3.963   5.796
  240   2HB   TRP  32          2HB       TRP  32   0.414   2.449   6.193
  241    HD1  TRP  32           HD       TRP  32   2.390   2.538   7.828
  242    HE1  TRP  32           1HE      TRP  32   3.600   4.417   9.107
  243    HE3  TRP  32           3HE      TRP  32   0.332   6.620   5.550
  244    HZ2  TRP  32           2HZ      TRP  32   3.687   7.279   9.160
  245    HZ3  TRP  32           3HZ      TRP  32   0.997   8.908   6.232
  246    HH2  TRP  32           HH       TRP  32   2.670   9.244   8.032
  247    H    ASP  33           H        ASP  33   2.540   5.467   3.768
  248    HA   ASP  33           HA       ASP  33   5.117   4.385   3.342
  249   1HB   ASP  33          1HB       ASP  33   3.993   6.755   2.979
  250   2HB   ASP  33          2HB       ASP  33   4.705   7.102   4.557
  251    HD2  ASP  33           HD2      ASP  33   7.263   7.876   2.176
  252    H    GLY  34           H        GLY  34   7.009   4.406   4.750
  253   1HA   GLY  34          1HA       GLY  34   6.320   4.342   7.663
  254   2HA   GLY  34          2HA       GLY  34   7.457   3.209   6.931
  255    H    SER  35           H        SER  35   7.059   6.763   6.712
  256    HA   SER  35           HA       SER  35   9.992   7.063   6.923
  257   1HB   SER  35          1HB       SER  35   9.382   9.450   6.427
  258   2HB   SER  35          2HB       SER  35   8.752   8.314   5.237
  259    HG   SER  35           HG       SER  35   6.887   9.136   5.725
  260    H    VAL  36           H        VAL  36   9.385   6.096   9.311
  261    HA   VAL  36           HA       VAL  36   8.769   8.361  11.157
  262    HB   VAL  36           HB       VAL  36   9.111   5.416  11.769
  263   1HG1  VAL  36          1HG1      VAL  36   8.726   7.641  13.391
  264   2HG1  VAL  36          2HG1      VAL  36   8.402   5.967  13.842
  265   3HG1  VAL  36          3HG1      VAL  36   7.102   6.977  13.211
  266   1HG2  VAL  36          1HG2      VAL  36   7.431   5.386  10.107
  267   2HG2  VAL  36          2HG2      VAL  36   6.760   6.932  10.632
  268   3HG2  VAL  36          3HG2      VAL  36   6.518   5.484  11.612
  Start of MODEL   13
    1   1H    ASP   1          1HT       ASP   1 -12.851   7.228  -5.972
    2   2H    ASP   1          2HT       ASP   1 -11.729   6.042  -6.446
    3   3H    ASP   1          3HT       ASP   1 -11.189   7.566  -5.921
    4    HA   ASP   1           HA       ASP   1 -12.274   7.044  -3.707
    5   1HB   ASP   1          1HB       ASP   1 -13.027   4.838  -5.390
    6   2HB   ASP   1          2HB       ASP   1 -12.086   4.220  -4.031
    7    HD2  ASP   1           HD2      ASP   1 -15.347   6.246  -3.029
    8    H    CYS   2           H        CYS   2 -10.522   7.124  -2.355
    9    HA   CYS   2           HA       CYS   2  -7.878   6.263  -3.310
   10   1HB   CYS   2          1HB       CYS   2  -9.021   8.129  -1.480
   11   2HB   CYS   2          2HB       CYS   2  -7.948   7.074  -0.560
   12    H    VAL   3           H        VAL   3  -6.483   4.996  -1.710
   13    HA   VAL   3           HA       VAL   3  -8.099   2.858  -0.364
   14    HB   VAL   3           HB       VAL   3  -5.419   2.498  -1.723
   15   1HG1  VAL   3          1HG1      VAL   3  -6.243   0.142  -1.850
   16   2HG1  VAL   3          2HG1      VAL   3  -7.681   0.632  -0.951
   17   3HG1  VAL   3          3HG1      VAL   3  -6.091   0.725  -0.191
   18   1HG2  VAL   3          1HG2      VAL   3  -8.133   2.787  -2.891
   19   2HG2  VAL   3          2HG2      VAL   3  -7.204   1.402  -3.462
   20   3HG2  VAL   3          3HG2      VAL   3  -6.557   3.033  -3.640
   21    H    ARG   4           H        ARG   4  -7.232   2.122   1.642
   22    HA   ARG   4           HA       ARG   4  -5.161   3.925   2.810
   23   1HB   ARG   4          1HB       ARG   4  -6.155   3.084   4.952
   24   2HB   ARG   4          2HB       ARG   4  -7.336   3.859   3.898
   25   1HG   ARG   4          1HG       ARG   4  -8.527   1.957   3.700
   26   2HG   ARG   4          2HG       ARG   4  -7.084   1.024   3.296
   27   1HD   ARG   4          1HD       ARG   4  -6.540   0.714   5.635
   28   2HD   ARG   4          2HD       ARG   4  -7.828   1.832   6.129
   29    HE   ARG   4           HE       ARG   4  -9.325   0.108   4.774
   30   1HH1  ARG   4          1HH1      ARG   4  -7.333  -0.217   7.478
   31   2HH1  ARG   4          2HH1      ARG   4  -7.520  -1.934   7.618
   32   1HH2  ARG   4          1HH2      ARG   4  -9.254  -2.253   4.633
   33   2HH2  ARG   4          2HH2      ARG   4  -8.607  -3.087   6.006
   34    H    PHE   5           H        PHE   5  -4.221   2.491   4.868
   35    HA   PHE   5           HA       PHE   5  -2.084   0.999   4.042
   36   1HB   PHE   5          1HB       PHE   5  -3.268   1.685   6.395
   37   2HB   PHE   5          2HB       PHE   5  -3.502  -0.062   6.416
   38    HD1  PHE   5           1HD      PHE   5  -1.623   1.785   8.165
   39    HD2  PHE   5           2HD      PHE   5  -1.001  -0.715   4.730
   40    HE1  PHE   5           1HE      PHE   5   0.749   1.477   8.817
   41    HE2  PHE   5           2HE      PHE   5   1.370  -1.022   5.380
   42    HZ   PHE   5           HZ       PHE   5   2.246   0.074   7.426
   43    H    TRP   6           H        TRP   6  -1.781  -0.951   3.053
   44    HA   TRP   6           HA       TRP   6  -2.214  -3.119   2.217
   45   1HB   TRP   6          1HB       TRP   6  -4.328  -3.177   4.384
   46   2HB   TRP   6          2HB       TRP   6  -3.421  -4.539   3.729
   47    HD1  TRP   6           HD       TRP   6  -3.300  -1.895   6.354
   48    HE1  TRP   6           1HE      TRP   6  -1.074  -2.027   7.645
   49    HE3  TRP   6           3HE      TRP   6  -0.736  -5.152   3.377
   50    HZ2  TRP   6           2HZ      TRP   6   1.451  -3.340   7.452
   51    HZ3  TRP   6           3HZ      TRP   6   1.577  -5.830   3.955
   52    HH2  TRP   6           HH       TRP   6   2.674  -4.929   5.988
   53    H    GLY   7           H        GLY   7  -3.112  -1.923   0.340
   54   1HA   GLY   7          1HA       GLY   7  -5.951  -2.663  -0.082
   55   2HA   GLY   7          2HA       GLY   7  -5.417  -1.032  -0.498
   56    H    LYS   8           H        LYS   8  -5.945  -4.004  -1.800
   57    HA   LYS   8           HA       LYS   8  -3.945  -4.876  -3.414
   58   1HB   LYS   8          1HB       LYS   8  -6.650  -5.110  -3.337
   59   2HB   LYS   8          2HB       LYS   8  -6.457  -4.235  -4.857
   60   1HG   LYS   8          1HG       LYS   8  -6.370  -6.582  -5.380
   61   2HG   LYS   8          2HG       LYS   8  -4.726  -5.960  -5.517
   62   1HD   LYS   8          1HD       LYS   8  -4.038  -7.458  -3.988
   63   2HD   LYS   8          2HD       LYS   8  -5.126  -6.734  -2.802
   64   1HE   LYS   8          1HE       LYS   8  -6.728  -8.360  -3.085
   65   2HE   LYS   8          2HE       LYS   8  -6.380  -8.542  -4.818
   66   1HZ   LYS   8          1HZ       LYS   8  -5.589 -10.430  -3.417
   67   2HZ   LYS   8          2HZ       LYS   8  -4.504  -9.360  -2.667
   68   3HZ   LYS   8          3HZ       LYS   8  -4.370  -9.685  -4.328
   69    H    CYS   9           H        CYS   9  -2.473  -3.857  -4.672
   70    HA   CYS   9           HA       CYS   9  -3.316  -1.610  -6.425
   71   1HB   CYS   9          1HB       CYS   9  -2.628  -0.432  -4.486
   72   2HB   CYS   9          2HB       CYS   9  -1.322  -1.569  -4.159
   73    H    SER  10           H        SER  10  -1.574  -1.126  -8.045
   74    HA   SER  10           HA       SER  10   0.215  -3.494  -8.514
   75   1HB   SER  10          1HB       SER  10  -1.718  -1.980 -10.201
   76   2HB   SER  10          2HB       SER  10  -0.233  -2.507 -10.987
   77    HG   SER  10           HG       SER  10  -1.897  -4.195  -9.426
   78    H    GLN  11           H        GLN  11  -0.245  -0.021  -9.247
   79    HA   GLN  11           HA       GLN  11   2.720   0.331  -9.030
   80   1HB   GLN  11          1HB       GLN  11   1.017   0.493 -11.359
   81   2HB   GLN  11          2HB       GLN  11   1.722   2.077 -11.031
   82   1HG   GLN  11          1HG       GLN  11   3.955   0.779 -10.734
   83   2HG   GLN  11          2HG       GLN  11   3.130  -0.529 -11.585
   84   1HE2  GLN  11          1HE2      GLN  11   4.599  -0.214 -13.455
   85   2HE2  GLN  11          2HE2      GLN  11   4.375   1.099 -14.507
   86    H    THR  12           H        THR  12   2.926   3.011  -9.376
   87    HA   THR  12           HA       THR  12   1.635   4.099  -6.994
   88    HB   THR  12           HB       THR  12   3.329   5.383  -9.161
   89    HG1  THR  12           1HG      THR  12   4.060   3.489  -7.730
   90   1HG2  THR  12          1HG2      THR  12   2.312   7.124  -7.907
   91   2HG2  THR  12          2HG2      THR  12   3.911   6.918  -7.187
   92   3HG2  THR  12          3HG2      THR  12   2.490   6.240  -6.391
   93    H    SER  13           H        SER  13  -0.638   3.994  -7.615
   94    HA   SER  13           HA       SER  13  -1.747   6.389  -8.626
   95   1HB   SER  13          1HB       SER  13  -0.837   5.996 -10.750
   96   2HB   SER  13          2HB       SER  13  -1.048   4.252 -10.620
   97    HG   SER  13           HG       SER  13  -2.745   6.152 -11.569
   98    H    ASP  14           H        ASP  14  -2.291   4.308  -6.643
   99    HA   ASP  14           HA       ASP  14  -5.085   3.610  -7.471
  100   1HB   ASP  14          1HB       ASP  14  -2.837   1.891  -6.965
  101   2HB   ASP  14          2HB       ASP  14  -4.053   1.618  -5.717
  102    HD2  ASP  14           HD2      ASP  14  -6.295   0.300  -8.007
  103    H    CYS  15           H        CYS  15  -3.015   3.263  -4.554
  104    HA   CYS  15           HA       CYS  15  -5.220   4.015  -2.793
  105   1HB   CYS  15          1HB       CYS  15  -3.590   3.580  -1.063
  106   2HB   CYS  15          2HB       CYS  15  -3.340   2.379  -2.329
  107    H    CYS  16           H        CYS  16  -4.319   5.731  -0.956
  108    HA   CYS  16           HA       CYS  16  -4.241   8.289  -2.361
  109   1HB   CYS  16          1HB       CYS  16  -4.783   7.206   0.269
  110   2HB   CYS  16          2HB       CYS  16  -3.761   8.637   0.376
  111    HA   PRO  17           HA       PRO  17   0.041   9.253  -2.404
  112   1HB   PRO  17          1HB       PRO  17  -0.228  11.754  -0.997
  113   2HB   PRO  17          2HB       PRO  17  -0.086  11.499  -2.745
  114   1HG   PRO  17          1HG       PRO  17  -2.405  12.311  -1.269
  115   2HG   PRO  17          2HG       PRO  17  -2.268  12.037  -3.009
  116   1HD   PRO  17          1HD       PRO  17  -3.650  10.414  -1.066
  117   2HD   PRO  17          2HD       PRO  17  -3.501  10.132  -2.819
  118    H    HIS  18           H        HIS  18  -1.672   9.044   0.570
  119    HA   HIS  18           HA       HIS  18   0.636   9.580   2.285
  120   1HB   HIS  18          1HB       HIS  18  -2.193   9.345   2.450
  121   2HB   HIS  18          2HB       HIS  18  -1.485   8.237   3.627
  122    HD1  HIS  18           1HD      HIS  18  -0.348  11.921   2.617
  123    HD2  HIS  18           2HD      HIS  18  -1.359   9.445   5.819
  124    HE1  HIS  18           1HE      HIS  18  -0.675  11.666   6.825
  125    HE2  HIS  18           2HE      HIS  18  -0.676  11.667   6.825
  126    H    LEU  19           H        LEU  19   0.071   7.102   0.265
  127    HA   LEU  19           HA       LEU  19   1.518   5.163   2.014
  128   1HB   LEU  19          1HB       LEU  19  -0.928   4.552   0.318
  129   2HB   LEU  19          2HB       LEU  19  -0.066   3.413   1.355
  130    HG   LEU  19           HG       LEU  19  -0.582   5.412   3.132
  131   1HD1  LEU  19          1HD1      LEU  19  -2.415   6.645   2.619
  132   2HD1  LEU  19          2HD1      LEU  19  -2.083   6.175   0.951
  133   3HD1  LEU  19          3HD1      LEU  19  -3.250   5.265   1.909
  134   1HD2  LEU  19          1HD2      LEU  19  -1.802   2.824   2.403
  135   2HD2  LEU  19          2HD2      LEU  19  -2.831   3.869   3.383
  136   3HD2  LEU  19          3HD2      LEU  19  -1.237   3.399   3.970
  137    H    ALA  20           H        ALA  20   1.956   3.117   0.383
  138    HA   ALA  20           HA       ALA  20   2.648   4.127  -2.333
  139   1HB   ALA  20          1HB       ALA  20   4.949   2.841  -1.622
  140   2HB   ALA  20          2HB       ALA  20   4.714   4.582  -1.455
  141   3HB   ALA  20          3HB       ALA  20   4.463   3.521  -0.068
  142    H    CYS  21           H        CYS  21   3.048   2.360  -3.838
  143    HA   CYS  21           HA       CYS  21   1.608  -0.100  -3.129
  144   1HB   CYS  21          1HB       CYS  21   1.734   1.372  -5.338
  145   2HB   CYS  21          2HB       CYS  21   3.120   0.340  -5.681
  146    H    LYS  22           H        LYS  22   3.284  -0.698  -1.437
  147    HA   LYS  22           HA       LYS  22   5.872  -1.659  -2.502
  148   1HB   LYS  22          1HB       LYS  22   4.671  -1.811   0.283
  149   2HB   LYS  22          2HB       LYS  22   6.372  -1.996  -0.144
  150   1HG   LYS  22          1HG       LYS  22   6.269   0.356  -1.107
  151   2HG   LYS  22          2HG       LYS  22   4.685   0.508  -0.345
  152   1HD   LYS  22          1HD       LYS  22   5.561   0.602   1.772
  153   2HD   LYS  22          2HD       LYS  22   6.883  -0.496   1.385
  154   1HE   LYS  22          1HE       LYS  22   6.860   2.223   0.106
  155   2HE   LYS  22          2HE       LYS  22   7.399   2.067   1.789
  156   1HZ   LYS  22          1HZ       LYS  22   8.352   0.209  -0.303
  157   2HZ   LYS  22          2HZ       LYS  22   9.048   0.554   1.209
  158   3HZ   LYS  22          3HZ       LYS  22   9.126   1.696  -0.047
  159    H    SER  23           H        SER  23   6.387  -3.842  -2.666
  160    HA   SER  23           HA       SER  23   4.220  -5.821  -2.055
  161   1HB   SER  23          1HB       SER  23   5.666  -5.141  -4.560
  162   2HB   SER  23          2HB       SER  23   5.402  -6.855  -4.261
  163    HG   SER  23           HG       SER  23   3.653  -4.955  -5.034
  164    H    LYS  24           H        LYS  24   5.942  -5.787  -0.101
  165    HA   LYS  24           HA       LYS  24   7.969  -7.917  -0.712
  166   1HB   LYS  24          1HB       LYS  24   8.114  -5.581   1.228
  167   2HB   LYS  24          2HB       LYS  24   9.376  -6.793   0.998
  168   1HG   LYS  24          1HG       LYS  24   9.495  -6.129  -1.417
  169   2HG   LYS  24          2HG       LYS  24   8.353  -4.829  -1.075
  170   1HD   LYS  24          1HD       LYS  24  10.087  -3.541  -0.446
  171   2HD   LYS  24          2HD       LYS  24  10.365  -4.643   0.902
  172   1HE   LYS  24          1HE       LYS  24  12.262  -5.419  -0.062
  173   2HE   LYS  24          2HE       LYS  24  11.396  -5.776  -1.569
  174   1HZ   LYS  24          1HZ       LYS  24  11.877  -3.765  -2.443
  175   2HZ   LYS  24          2HZ       LYS  24  13.202  -3.839  -1.380
  176   3HZ   LYS  24          3HZ       LYS  24  11.810  -2.964  -0.950
  177    H    TRP  25           H        TRP  25   5.117  -7.943   0.315
  178    HA   TRP  25           HA       TRP  25   5.202 -10.042   2.159
  179   1HB   TRP  25          1HB       TRP  25   6.321  -8.810   3.792
  180   2HB   TRP  25          2HB       TRP  25   5.559  -7.300   3.325
  181    HD1  TRP  25           HD       TRP  25   3.887  -6.494   5.024
  182    HE1  TRP  25           1HE      TRP  25   2.293  -7.581   6.737
  183    HE3  TRP  25           3HE      TRP  25   4.871 -11.416   4.126
  184    HZ2  TRP  25           2HZ      TRP  25   1.541 -10.201   7.611
  185    HZ3  TRP  25           3HZ      TRP  25   3.707 -13.189   5.411
  186    HH2  TRP  25           HH       TRP  25   2.044 -12.588   7.150
  187    HA   PRO  26           HA       PRO  26   0.889  -7.719   2.570
  188   1HB   PRO  26          1HB       PRO  26   1.005  -5.666   0.570
  189   2HB   PRO  26          2HB       PRO  26   0.743  -5.474   2.301
  190   1HG   PRO  26          1HG       PRO  26   3.102  -4.853   0.758
  191   2HG   PRO  26          2HG       PRO  26   2.808  -4.564   2.474
  192   1HD   PRO  26          1HD       PRO  26   4.594  -6.459   1.363
  193   2HD   PRO  26          2HD       PRO  26   4.108  -6.330   3.069
  194    H    ARG  27           H        ARG  27   2.778  -8.023  -0.365
  195    HA   ARG  27           HA       ARG  27   2.369  -9.214  -2.342
  196   1HB   ARG  27          1HB       ARG  27   0.541 -10.277  -0.301
  197   2HB   ARG  27          2HB       ARG  27   0.006 -10.563  -1.956
  198   1HG   ARG  27          1HG       ARG  27   1.916 -11.798  -2.495
  199   2HG   ARG  27          2HG       ARG  27   2.868 -11.071  -1.201
  200   1HD   ARG  27          1HD       ARG  27   2.132 -13.484  -0.778
  201   2HD   ARG  27          2HD       ARG  27   1.663 -12.330   0.487
  202    HE   ARG  27           HE       ARG  27  -0.310 -12.599  -1.663
  203   1HH1  ARG  27          1HH2      ARG  27   0.747 -14.918   0.435
  204   2HH1  ARG  27          2HH2      ARG  27  -0.723 -15.057   1.340
  205   1HH2  ARG  27          1HH1      ARG  27  -2.183 -12.258  -0.088
  206   2HH2  ARG  27          2HH1      ARG  27  -2.382 -13.553   1.045
  207    H    ASN  28           H        ASN  28   1.975  -7.149  -3.419
  208    HA   ASN  28           HA       ASN  28   0.765  -5.910  -5.007
  209   1HB   ASN  28          1HB       ASN  28  -1.394  -7.963  -4.514
  210   2HB   ASN  28          2HB       ASN  28  -1.108  -7.035  -5.985
  211   1HD2  ASN  28          1HD2      ASN  28   0.656  -7.694  -7.376
  212   2HD2  ASN  28          2HD2      ASN  28   1.479  -9.160  -7.151
  213    H    ILE  29           H        ILE  29   0.627  -4.380  -2.917
  214    HA   ILE  29           HA       ILE  29  -2.110  -3.327  -2.926
  215    HB   ILE  29           HB       ILE  29  -2.528  -3.492  -0.578
  216   1HG1  ILE  29          1HG1      ILE  29  -0.726  -4.937   0.731
  217   2HG1  ILE  29          2HG1      ILE  29   0.350  -4.335  -0.531
  218   1HG2  ILE  29          1HG2      ILE  29  -2.670  -5.907  -0.251
  219   2HG2  ILE  29          2HG2      ILE  29  -1.456  -6.185  -1.495
  220   3HG2  ILE  29          3HG2      ILE  29  -3.034  -5.530  -1.930
  221   1HD1  ILE  29          1HD1      ILE  29  -0.302  -2.984   1.790
  222   2HD1  ILE  29          2HD1      ILE  29   0.378  -2.249   0.338
  223   3HD1  ILE  29          3HD1      ILE  29  -1.363  -2.248   0.598
  224    H    CYS  30           H        CYS  30  -2.054  -1.474  -1.055
  225    HA   CYS  30           HA       CYS  30   0.473   0.066  -1.517
  226   1HB   CYS  30          1HB       CYS  30  -2.156   0.559  -2.251
  227   2HB   CYS  30          2HB       CYS  30  -1.975   1.510  -0.776
  228    H    VAL  31           H        VAL  31   1.623  -0.068   0.412
  229    HA   VAL  31           HA       VAL  31   0.135  -0.101   2.988
  230    HB   VAL  31           HB       VAL  31   2.508  -0.563   3.845
  231   1HG1  VAL  31          1HG1      VAL  31   2.327  -2.854   3.333
  232   2HG1  VAL  31          2HG1      VAL  31   1.627  -2.536   1.748
  233   3HG1  VAL  31          3HG1      VAL  31   0.672  -2.261   3.206
  234   1HG2  VAL  31          1HG2      VAL  31   4.224  -1.042   2.283
  235   2HG2  VAL  31          2HG2      VAL  31   3.502   0.454   1.692
  236   3HG2  VAL  31          3HG2      VAL  31   3.093  -1.082   0.931
  237    H    TRP  32           H        TRP  32   0.177   1.579   4.403
  238    HA   TRP  32           HA       TRP  32   0.711   4.227   3.752
  239   1HB   TRP  32          1HB       TRP  32  -0.435   4.017   5.727
  240   2HB   TRP  32          2HB       TRP  32   0.408   2.530   6.155
  241    HD1  TRP  32           HD       TRP  32   2.475   2.699   7.710
  242    HE1  TRP  32           1HE      TRP  32   3.572   4.628   9.022
  243    HE3  TRP  32           3HE      TRP  32   0.065   6.677   5.602
  244    HZ2  TRP  32           2HZ      TRP  32   3.444   7.482   9.158
  245    HZ3  TRP  32           3HZ      TRP  32   0.572   8.988   6.340
  246    HH2  TRP  32           HH       TRP  32   2.256   9.396   8.114
  247    H    ASP  33           H        ASP  33   2.561   5.507   3.687
  248    HA   ASP  33           HA       ASP  33   5.173   4.144   3.798
  249   1HB   ASP  33          1HB       ASP  33   5.948   6.163   2.756
  250   2HB   ASP  33          2HB       ASP  33   4.357   5.840   2.068
  251    HD2  ASP  33           HD2      ASP  33   3.076   8.732   3.401
  252    H    GLY  34           H        GLY  34   6.775   6.290   4.713
  253   1HA   GLY  34          1HA       GLY  34   7.486   7.401   6.674
  254   2HA   GLY  34          2HA       GLY  34   5.862   7.187   7.331
  255    H    SER  35           H        SER  35   6.845   4.211   6.252
  256    HA   SER  35           HA       SER  35   7.370   3.298   9.004
  257   1HB   SER  35          1HB       SER  35   7.331   1.060   7.781
  258   2HB   SER  35          2HB       SER  35   5.861   2.021   7.626
  259    HG   SER  35           HG       SER  35   7.958   2.293   5.767
  260    H    VAL  36           H        VAL  36   9.506   4.635   8.916
  261    HA   VAL  36           HA       VAL  36  11.715   2.780   8.429
  262    HB   VAL  36           HB       VAL  36  11.126   3.731   6.173
  263   1HG1  VAL  36          1HG1      VAL  36  10.579   6.023   7.398
  264   2HG1  VAL  36          2HG1      VAL  36  11.178   6.009   5.738
  265   3HG1  VAL  36          3HG1      VAL  36  12.282   6.346   7.072
  266   1HG2  VAL  36          1HG2      VAL  36  13.705   4.991   6.459
  267   2HG2  VAL  36          2HG2      VAL  36  13.311   3.445   5.706
  268   3HG2  VAL  36          3HG2      VAL  36  13.656   3.521   7.434
  Start of MODEL   14
    1   1H    ASP   1          1HT       ASP   1 -11.004   4.734  -6.089
    2   2H    ASP   1          2HT       ASP   1 -10.571   6.150  -6.920
    3   3H    ASP   1          3HT       ASP   1 -12.196   5.860  -6.523
    4    HA   ASP   1           HA       ASP   1 -11.006   7.518  -5.056
    5   1HB   ASP   1          1HB       ASP   1 -12.896   5.438  -4.650
    6   2HB   ASP   1          2HB       ASP   1 -11.901   5.506  -3.195
    7    HD2  ASP   1           HD2      ASP   1 -13.365   9.068  -3.950
    8    H    CYS   2           H        CYS   2  -9.602   7.635  -3.147
    9    HA   CYS   2           HA       CYS   2  -7.130   6.238  -3.397
   10   1HB   CYS   2          1HB       CYS   2  -6.704   8.078  -2.153
   11   2HB   CYS   2          2HB       CYS   2  -8.409   8.277  -1.782
   12    H    VAL   3           H        VAL   3  -6.209   5.001  -1.413
   13    HA   VAL   3           HA       VAL   3  -8.222   3.087  -0.310
   14    HB   VAL   3           HB       VAL   3  -5.563   2.381  -1.600
   15   1HG1  VAL   3          1HG1      VAL   3  -6.188   0.737   0.034
   16   2HG1  VAL   3          2HG1      VAL   3  -6.615   0.072  -1.542
   17   3HG1  VAL   3          3HG1      VAL   3  -7.867   0.756  -0.505
   18   1HG2  VAL   3          1HG2      VAL   3  -6.815   2.928  -3.479
   19   2HG2  VAL   3          2HG2      VAL   3  -8.348   2.622  -2.669
   20   3HG2  VAL   3          3HG2      VAL   3  -7.367   1.272  -3.238
   21    H    ARG   4           H        ARG   4  -7.113   1.752   1.508
   22    HA   ARG   4           HA       ARG   4  -5.262   3.576   3.000
   23   1HB   ARG   4          1HB       ARG   4  -7.130   1.458   4.088
   24   2HB   ARG   4          2HB       ARG   4  -6.362   2.774   4.977
   25   1HG   ARG   4          1HG       ARG   4  -7.633   4.413   3.617
   26   2HG   ARG   4          2HG       ARG   4  -8.428   3.083   2.777
   27   1HD   ARG   4          1HD       ARG   4  -8.806   2.459   5.469
   28   2HD   ARG   4          2HD       ARG   4  -9.031   4.218   5.403
   29    HE   ARG   4           HE       ARG   4 -10.348   3.066   3.153
   30   1HH1  ARG   4          1HH2      ARG   4 -11.632   5.011   5.039
   31   2HH1  ARG   4          2HH2      ARG   4 -12.869   4.043   5.769
   32   1HH2  ARG   4          1HH1      ARG   4 -11.478   1.031   4.763
   33   2HH2  ARG   4          2HH1      ARG   4 -12.781   1.791   5.612
   34    H    PHE   5           H        PHE   5  -4.330   2.010   4.938
   35    HA   PHE   5           HA       PHE   5  -2.107   0.668   4.037
   36   1HB   PHE   5          1HB       PHE   5  -3.367   1.180   6.415
   37   2HB   PHE   5          2HB       PHE   5  -3.460  -0.580   6.343
   38    HD1  PHE   5           1HD      PHE   5  -0.915  -1.021   4.704
   39    HD2  PHE   5           2HD      PHE   5  -1.736   1.395   8.159
   40    HE1  PHE   5           1HE      PHE   5   1.465  -1.175   5.376
   41    HE2  PHE   5           2HE      PHE   5   0.645   1.240   8.832
   42    HZ   PHE   5           HZ       PHE   5   2.245  -0.045   7.438
   43    H    TRP   6           H        TRP   6  -1.690  -1.278   3.050
   44    HA   TRP   6           HA       TRP   6  -2.049  -3.424   2.136
   45   1HB   TRP   6          1HB       TRP   6  -4.175  -3.579   4.288
   46   2HB   TRP   6          2HB       TRP   6  -3.240  -4.911   3.606
   47    HD1  TRP   6           HD       TRP   6  -3.233  -2.523   6.412
   48    HE1  TRP   6           1HE      TRP   6  -0.953  -2.534   7.621
   49    HE3  TRP   6           3HE      TRP   6  -0.450  -5.143   3.028
   50    HZ2  TRP   6           2HZ      TRP   6   1.697  -3.522   7.207
   51    HZ3  TRP   6           3HZ      TRP   6   1.945  -5.606   3.457
   52    HH2  TRP   6           HH       TRP   6   3.022  -4.801   5.541
   53    H    GLY   7           H        GLY   7  -3.212  -1.535   0.626
   54   1HA   GLY   7          1HA       GLY   7  -5.952  -2.586   0.062
   55   2HA   GLY   7          2HA       GLY   7  -5.435  -0.941  -0.319
   56    H    LYS   8           H        LYS   8  -6.019  -3.833  -1.722
   57    HA   LYS   8           HA       LYS   8  -4.060  -4.677  -3.405
   58   1HB   LYS   8          1HB       LYS   8  -5.934  -4.828  -5.145
   59   2HB   LYS   8          2HB       LYS   8  -6.290  -5.534  -3.571
   60   1HG   LYS   8          1HG       LYS   8  -6.941  -2.685  -3.699
   61   2HG   LYS   8          2HG       LYS   8  -7.844  -3.644  -4.872
   62   1HD   LYS   8          1HD       LYS   8  -8.020  -5.243  -2.672
   63   2HD   LYS   8          2HD       LYS   8  -7.997  -3.650  -1.918
   64   1HE   LYS   8          1HE       LYS   8  -9.727  -3.441  -4.161
   65   2HE   LYS   8          2HE       LYS   8 -10.177  -4.924  -3.297
   66   1HZ   LYS   8          1HZ       LYS   8 -11.283  -3.281  -2.115
   67   2HZ   LYS   8          2HZ       LYS   8 -10.012  -2.164  -2.261
   68   3HZ   LYS   8          3HZ       LYS   8  -9.864  -3.491  -1.209
   69    H    CYS   9           H        CYS   9  -2.625  -3.679  -4.708
   70    HA   CYS   9           HA       CYS   9  -3.402  -1.402  -6.409
   71   1HB   CYS   9          1HB       CYS   9  -2.949  -0.187  -4.429
   72   2HB   CYS   9          2HB       CYS   9  -1.643  -1.268  -3.965
   73    H    SER  10           H        SER  10  -2.209  -1.586  -8.304
   74    HA   SER  10           HA       SER  10  -0.060  -3.607  -8.437
   75   1HB   SER  10          1HB       SER  10  -2.040  -2.481 -10.140
   76   2HB   SER  10          2HB       SER  10  -0.475  -2.096 -10.855
   77    HG   SER  10           HG       SER  10   0.020  -4.384 -10.487
   78    H    GLN  11           H        GLN  11  -0.378  -0.173  -9.432
   79    HA   GLN  11           HA       GLN  11   2.180   0.563  -8.269
   80   1HB   GLN  11          1HB       GLN  11   2.643  -0.905 -10.357
   81   2HB   GLN  11          2HB       GLN  11   2.082   0.485 -11.289
   82   1HG   GLN  11          1HG       GLN  11   3.776   1.825  -9.798
   83   2HG   GLN  11          2HG       GLN  11   4.508   0.243  -9.528
   84   1HE2  GLN  11          1HE2      GLN  11   6.158   1.914 -10.878
   85   2HE2  GLN  11          2HE2      GLN  11   6.186   1.573 -12.541
   86    H    THR  12           H        THR  12  -0.366   1.270 -10.644
   87    HA   THR  12           HA       THR  12   0.160   4.130 -10.741
   88    HB   THR  12           HB       THR  12  -2.150   2.332 -11.521
   89    HG1  THR  12           1HG      THR  12  -1.325   3.017 -13.622
   90   1HG2  THR  12          1HG2      THR  12  -2.362   4.748 -12.916
   91   2HG2  THR  12          2HG2      THR  12  -2.057   5.222 -11.246
   92   3HG2  THR  12          3HG2      THR  12  -3.429   4.183 -11.630
   93    H    SER  13           H        SER  13   0.225   4.533  -8.362
   94    HA   SER  13           HA       SER  13  -0.775   5.239  -6.340
   95   1HB   SER  13          1HB       SER  13  -1.708   6.871  -7.884
   96   2HB   SER  13          2HB       SER  13  -2.947   5.730  -8.400
   97    HG   SER  13           HG       SER  13  -2.830   7.341  -6.190
   98    H    ASP  14           H        ASP  14  -3.892   4.293  -7.655
   99    HA   ASP  14           HA       ASP  14  -5.411   2.610  -6.979
  100   1HB   ASP  14          1HB       ASP  14  -2.702   1.492  -6.980
  101   2HB   ASP  14          2HB       ASP  14  -3.778   0.657  -5.858
  102    HD2  ASP  14           HD2      ASP  14  -4.175  -0.466  -9.399
  103    H    CYS  15           H        CYS  15  -3.939   4.621  -5.013
  104    HA   CYS  15           HA       CYS  15  -5.487   3.879  -2.669
  105   1HB   CYS  15          1HB       CYS  15  -3.429   3.571  -1.236
  106   2HB   CYS  15          2HB       CYS  15  -3.692   2.285  -2.414
  107    H    CYS  16           H        CYS  16  -4.238   5.347  -0.726
  108    HA   CYS  16           HA       CYS  16  -4.635   8.084  -1.660
  109   1HB   CYS  16          1HB       CYS  16  -4.381   6.564   0.810
  110   2HB   CYS  16          2HB       CYS  16  -3.530   8.107   0.899
  111    HA   PRO  17           HA       PRO  17  -0.481   9.049  -2.819
  112   1HB   PRO  17          1HB       PRO  17  -0.658  11.689  -1.675
  113   2HB   PRO  17          2HB       PRO  17  -0.806  11.229  -3.380
  114   1HG   PRO  17          1HG       PRO  17  -2.887  12.098  -1.594
  115   2HG   PRO  17          2HG       PRO  17  -3.029  11.655  -3.298
  116   1HD   PRO  17          1HD       PRO  17  -3.979  10.179  -1.020
  117   2HD   PRO  17          2HD       PRO  17  -4.059   9.700  -2.734
  118    H    HIS  18           H        HIS  18  -1.663   9.157   0.404
  119    HA   HIS  18           HA       HIS  18   0.916   9.862   1.621
  120   1HB   HIS  18          1HB       HIS  18  -1.852   9.763   2.287
  121   2HB   HIS  18          2HB       HIS  18  -0.964   8.801   3.470
  122    HD1  HIS  18           1HD      HIS  18  -0.026  12.298   1.796
  123    HD2  HIS  18           2HD      HIS  18  -0.409  10.268   5.421
  124    HE1  HIS  18           1HE      HIS  18   0.451  12.584   5.986
  125    HE2  HIS  18           2HE      HIS  18   0.452  12.584   5.987
  126    H    LEU  19           H        LEU  19   0.193   7.254  -0.021
  127    HA   LEU  19           HA       LEU  19   1.553   5.393   1.889
  128   1HB   LEU  19          1HB       LEU  19  -0.863   4.874   0.120
  129   2HB   LEU  19          2HB       LEU  19  -0.041   3.646   1.084
  130    HG   LEU  19           HG       LEU  19  -0.551   5.783   2.852
  131   1HD1  LEU  19          1HD1      LEU  19  -3.250   5.120   1.998
  132   2HD1  LEU  19          2HD1      LEU  19  -2.537   6.704   2.308
  133   3HD1  LEU  19          3HD1      LEU  19  -2.367   5.955   0.720
  134   1HD2  LEU  19          1HD2      LEU  19  -2.424   3.469   2.751
  135   2HD2  LEU  19          2HD2      LEU  19  -1.480   4.091   4.104
  136   3HD2  LEU  19          3HD2      LEU  19  -0.707   3.086   2.879
  137    H    ALA  20           H        ALA  20   1.972   3.244   0.370
  138    HA   ALA  20           HA       ALA  20   2.941   4.120  -2.311
  139   1HB   ALA  20          1HB       ALA  20   4.539   2.973  -0.008
  140   2HB   ALA  20          2HB       ALA  20   5.116   2.895  -1.675
  141   3HB   ALA  20          3HB       ALA  20   4.845   4.460  -0.907
  142    H    CYS  21           H        CYS  21   3.209   2.310  -3.773
  143    HA   CYS  21           HA       CYS  21   1.555  -0.028  -3.038
  144   1HB   CYS  21          1HB       CYS  21   1.657   1.492  -5.220
  145   2HB   CYS  21          2HB       CYS  21   2.937   0.368  -5.671
  146    H    LYS  22           H        LYS  22   2.732  -1.522  -1.865
  147    HA   LYS  22           HA       LYS  22   4.702  -3.165  -3.095
  148   1HB   LYS  22          1HB       LYS  22   6.662  -2.289  -1.659
  149   2HB   LYS  22          2HB       LYS  22   6.190  -1.305  -3.044
  150   1HG   LYS  22          1HG       LYS  22   4.866   0.157  -1.603
  151   2HG   LYS  22          2HG       LYS  22   5.226  -0.856  -0.205
  152   1HD   LYS  22          1HD       LYS  22   7.724  -0.406  -0.838
  153   2HD   LYS  22          2HD       LYS  22   7.067   0.962  -1.740
  154   1HE   LYS  22          1HE       LYS  22   6.154   1.957   0.231
  155   2HE   LYS  22          2HE       LYS  22   6.395   0.474   1.176
  156   1HZ   LYS  22          1HZ       LYS  22   8.160   2.302   1.372
  157   2HZ   LYS  22          2HZ       LYS  22   8.657   1.811  -0.176
  158   3HZ   LYS  22          3HZ       LYS  22   8.695   0.712   1.120
  159    H    SER  23           H        SER  23   3.657  -4.870  -2.020
  160    HA   SER  23           HA       SER  23   3.511  -4.733   0.965
  161   1HB   SER  23          1HB       SER  23   2.085  -6.944   0.046
  162   2HB   SER  23          2HB       SER  23   1.404  -5.375   0.463
  163    HG   SER  23           HG       SER  23   1.201  -6.421  -1.813
  164    H    LYS  24           H        LYS  24   3.587  -7.126   1.874
  165    HA   LYS  24           HA       LYS  24   5.792  -8.688   0.594
  166   1HB   LYS  24          1HB       LYS  24   6.626  -8.909   3.053
  167   2HB   LYS  24          2HB       LYS  24   6.933  -7.385   2.221
  168   1HG   LYS  24          1HG       LYS  24   5.119  -6.301   3.329
  169   2HG   LYS  24          2HG       LYS  24   4.471  -7.833   3.919
  170   1HD   LYS  24          1HD       LYS  24   5.765  -7.728   5.755
  171   2HD   LYS  24          2HD       LYS  24   7.216  -7.539   4.767
  172   1HE   LYS  24          1HE       LYS  24   7.340  -5.417   5.567
  173   2HE   LYS  24          2HE       LYS  24   5.903  -5.058   4.591
  174   1HZ   LYS  24          1HZ       LYS  24   4.774  -6.332   6.609
  175   2HZ   LYS  24          2HZ       LYS  24   5.019  -4.652   6.624
  176   3HZ   LYS  24          3HZ       LYS  24   6.103  -5.680   7.435
  177    H    TRP  25           H        TRP  25   2.896  -9.096   0.734
  178    HA   TRP  25           HA       TRP  25   2.730 -11.835   1.383
  179   1HB   TRP  25          1HB       TRP  25   3.115 -11.396   3.655
  180   2HB   TRP  25          2HB       TRP  25   2.200  -9.894   3.625
  181    HD1  TRP  25           HD       TRP  25   0.122 -10.207   5.063
  182    HE1  TRP  25           1HE      TRP  25  -1.664 -12.046   5.350
  183    HE3  TRP  25           3HE      TRP  25   2.023 -13.776   1.945
  184    HZ2  TRP  25           2HZ      TRP  25  -2.211 -14.684   4.385
  185    HZ3  TRP  25           3HZ      TRP  25   0.852 -15.939   1.646
  186    HH2  TRP  25           HH       TRP  25  -1.259 -16.399   2.861
  187    HA   PRO  26           HA       PRO  26  -1.792  -9.936   1.138
  188   1HB   PRO  26          1HB       PRO  26  -1.404  -7.195   0.345
  189   2HB   PRO  26          2HB       PRO  26  -2.208  -7.803   1.796
  190   1HG   PRO  26          1HG       PRO  26   0.402  -6.561   1.566
  191   2HG   PRO  26          2HG       PRO  26  -0.479  -7.015   3.027
  192   1HD   PRO  26          1HD       PRO  26   1.845  -8.268   2.017
  193   2HD   PRO  26          2HD       PRO  26   0.784  -8.889   3.303
  194    H    ARG  27           H        ARG  27   1.041  -9.279  -0.703
  195    HA   ARG  27           HA       ARG  27   1.517  -9.504  -2.982
  196   1HB   ARG  27          1HB       ARG  27  -1.106 -10.915  -2.608
  197   2HB   ARG  27          2HB       ARG  27  -0.437 -10.739  -4.228
  198   1HG   ARG  27          1HG       ARG  27   1.476 -11.999  -3.710
  199   2HG   ARG  27          2HG       ARG  27   1.272 -11.766  -1.973
  200   1HD   ARG  27          1HD       ARG  27   0.634 -14.087  -2.844
  201   2HD   ARG  27          2HD       ARG  27  -0.637 -13.258  -1.926
  202    HE   ARG  27           HE       ARG  27  -0.869 -12.494  -4.662
  203   1HH1  ARG  27          1HH2      ARG  27  -0.398 -15.652  -3.859
  204   2HH1  ARG  27          2HH2      ARG  27  -1.986 -16.208  -4.267
  205   1HH2  ARG  27          1HH1      ARG  27  -3.300 -13.024  -4.649
  206   2HH2  ARG  27          2HH1      ARG  27  -3.627 -14.723  -4.713
  207    H    ASN  28           H        ASN  28   1.599  -7.379  -3.641
  208    HA   ASN  28           HA       ASN  28   0.988  -5.504  -4.914
  209   1HB   ASN  28          1HB       ASN  28  -1.381  -7.254  -5.618
  210   2HB   ASN  28          2HB       ASN  28  -0.738  -5.916  -6.568
  211   1HD2  ASN  28          1HD2      ASN  28  -0.915  -8.863  -7.272
  212   2HD2  ASN  28          2HD2      ASN  28   0.677  -9.316  -7.653
  213    H    ILE  29           H        ILE  29   0.554  -4.142  -3.087
  214    HA   ILE  29           HA       ILE  29  -2.226  -3.219  -2.953
  215    HB   ILE  29           HB       ILE  29  -2.519  -3.543  -0.595
  216   1HG1  ILE  29          1HG1      ILE  29  -0.636  -5.033   0.530
  217   2HG1  ILE  29          2HG1      ILE  29   0.376  -4.355  -0.744
  218   1HG2  ILE  29          1HG2      ILE  29  -2.620  -5.974  -0.461
  219   2HG2  ILE  29          2HG2      ILE  29  -1.428  -6.135  -1.750
  220   3HG2  ILE  29          3HG2      ILE  29  -3.030  -5.485  -2.102
  221   1HD1  ILE  29          1HD1      ILE  29  -1.320  -2.397   0.685
  222   2HD1  ILE  29          2HD1      ILE  29  -0.050  -3.141   1.654
  223   3HD1  ILE  29          3HD1      ILE  29   0.364  -2.271   0.178
  224    H    CYS  30           H        CYS  30  -2.100  -1.504  -0.866
  225    HA   CYS  30           HA       CYS  30   0.383   0.099  -1.369
  226   1HB   CYS  30          1HB       CYS  30  -2.031   0.698  -2.319
  227   2HB   CYS  30          2HB       CYS  30  -2.256   1.340  -0.691
  228    H    VAL  31           H        VAL  31   1.533   0.077   0.525
  229    HA   VAL  31           HA       VAL  31   0.068  -0.092   3.114
  230    HB   VAL  31           HB       VAL  31   2.440  -0.471   3.949
  231   1HG1  VAL  31          1HG1      VAL  31   2.382  -2.738   3.339
  232   2HG1  VAL  31          2HG1      VAL  31   1.737  -2.387   1.736
  233   3HG1  VAL  31          3HG1      VAL  31   0.702  -2.232   3.156
  234   1HG2  VAL  31          1HG2      VAL  31   3.227   0.686   1.662
  235   2HG2  VAL  31          2HG2      VAL  31   3.229  -0.993   1.121
  236   3HG2  VAL  31          3HG2      VAL  31   4.224  -0.506   2.495
  237    H    TRP  32           H        TRP  32   0.306   1.463   4.720
  238    HA   TRP  32           HA       TRP  32   0.667   4.191   3.970
  239   1HB   TRP  32          1HB       TRP  32  -0.598   4.014   5.863
  240   2HB   TRP  32          2HB       TRP  32   0.175   2.500   6.330
  241    HD1  TRP  32           HD       TRP  32   2.079   2.590   8.071
  242    HE1  TRP  32           1HE      TRP  32   3.145   4.470   9.472
  243    HE3  TRP  32           3HE      TRP  32   0.039   6.669   5.768
  244    HZ2  TRP  32           2HZ      TRP  32   3.133   7.330   9.604
  245    HZ3  TRP  32           3HZ      TRP  32   0.584   8.956   6.551
  246    HH2  TRP  32           HH       TRP  32   2.126   9.293   8.465
  247    H    ASP  33           H        ASP  33   2.499   5.500   4.023
  248    HA   ASP  33           HA       ASP  33   5.121   4.296   4.073
  249   1HB   ASP  33          1HB       ASP  33   5.838   6.541   3.620
  250   2HB   ASP  33          2HB       ASP  33   4.269   6.368   2.836
  251    HD2  ASP  33           HD2      ASP  33   4.395   9.326   5.076
  252    H    GLY  34           H        GLY  34   6.445   6.445   5.574
  253   1HA   GLY  34          1HA       GLY  34   7.383   6.576   7.738
  254   2HA   GLY  34          2HA       GLY  34   5.706   6.870   8.199
  255    H    SER  35           H        SER  35   6.932   3.857   6.821
  256    HA   SER  35           HA       SER  35   5.848   2.393   9.142
  257   1HB   SER  35          1HB       SER  35   6.638   0.451   7.622
  258   2HB   SER  35          2HB       SER  35   5.351   1.485   7.007
  259    HG   SER  35           HG       SER  35   7.973   1.193   6.179
  260    H    VAL  36           H        VAL  36   7.844   3.782  10.232
  261    HA   VAL  36           HA       VAL  36  10.501   2.721   9.984
  262    HB   VAL  36           HB       VAL  36  10.780   3.914  12.170
  263   1HG1  VAL  36          1HG1      VAL  36   9.478   6.090  11.153
  264   2HG1  VAL  36          2HG1      VAL  36   9.578   5.063   9.723
  265   3HG1  VAL  36          3HG1      VAL  36  11.049   5.528  10.580
  266   1HG2  VAL  36          1HG2      VAL  36   8.911   4.871  13.295
  267   2HG2  VAL  36          2HG2      VAL  36   8.425   3.216  12.932
  268   3HG2  VAL  36          3HG2      VAL  36   7.831   4.548  11.940
  Start of MODEL   15
    1   1H    ASP   1          1HT       ASP   1 -10.723   6.690  -7.649
    2   2H    ASP   1          2HT       ASP   1  -9.085   6.443  -7.280
    3   3H    ASP   1          3HT       ASP   1  -9.823   7.929  -6.922
    4    HA   ASP   1           HA       ASP   1 -10.926   7.122  -5.089
    5   1HB   ASP   1          1HB       ASP   1 -11.739   5.282  -6.825
    6   2HB   ASP   1          2HB       ASP   1 -10.565   4.282  -5.969
    7    HD2  ASP   1           HD2      ASP   1 -12.451   4.832  -2.947
    8    H    CYS   2           H        CYS   2  -9.632   7.157  -3.298
    9    HA   CYS   2           HA       CYS   2  -6.908   6.022  -3.454
   10   1HB   CYS   2          1HB       CYS   2  -6.606   7.956  -2.313
   11   2HB   CYS   2          2HB       CYS   2  -8.338   8.152  -2.091
   12    H    VAL   3           H        VAL   3  -6.170   4.881  -1.341
   13    HA   VAL   3           HA       VAL   3  -8.300   3.118  -0.224
   14    HB   VAL   3           HB       VAL   3  -5.662   2.191  -1.406
   15   1HG1  VAL   3          1HG1      VAL   3  -6.480   0.669   0.284
   16   2HG1  VAL   3          2HG1      VAL   3  -6.837  -0.044  -1.288
   17   3HG1  VAL   3          3HG1      VAL   3  -8.117   0.748  -0.365
   18   1HG2  VAL   3          1HG2      VAL   3  -7.520   1.144  -3.052
   19   2HG2  VAL   3          2HG2      VAL   3  -6.785   2.717  -3.354
   20   3HG2  VAL   3          3HG2      VAL   3  -8.369   2.617  -2.589
   21    H    ARG   4           H        ARG   4  -7.385   1.874   1.713
   22    HA   ARG   4           HA       ARG   4  -5.522   3.664   3.208
   23   1HB   ARG   4          1HB       ARG   4  -7.249   1.412   4.259
   24   2HB   ARG   4          2HB       ARG   4  -6.607   2.790   5.152
   25   1HG   ARG   4          1HG       ARG   4  -8.013   4.319   3.835
   26   2HG   ARG   4          2HG       ARG   4  -8.644   2.953   2.912
   27   1HD   ARG   4          1HD       ARG   4  -9.701   2.016   4.878
   28   2HD   ARG   4          2HD       ARG   4  -8.908   3.206   5.930
   29    HE   ARG   4           HE       ARG   4 -10.942   3.915   3.846
   30   1HH1  ARG   4          1HH1      ARG   4 -10.763   3.815   7.095
   31   2HH1  ARG   4          2HH1      ARG   4 -10.974   5.509   7.385
   32   1HH2  ARG   4          1HH2      ARG   4 -10.540   6.407   4.066
   33   2HH2  ARG   4          2HH2      ARG   4 -10.848   6.976   5.672
   34    H    PHE   5           H        PHE   5  -4.407   2.193   5.057
   35    HA   PHE   5           HA       PHE   5  -2.175   0.924   4.096
   36   1HB   PHE   5          1HB       PHE   5  -3.314   1.404   6.509
   37   2HB   PHE   5          2HB       PHE   5  -3.476  -0.350   6.443
   38    HD1  PHE   5           1HD      PHE   5  -1.606   1.603   8.172
   39    HD2  PHE   5           2HD      PHE   5  -1.014  -0.935   4.760
   40    HE1  PHE   5           1HE      PHE   5   0.790   1.359   8.767
   41    HE2  PHE   5           2HE      PHE   5   1.378  -1.181   5.354
   42    HZ   PHE   5           HZ       PHE   5   2.283  -0.031   7.357
   43    H    TRP   6           H        TRP   6  -1.719  -0.996   3.070
   44    HA   TRP   6           HA       TRP   6  -2.027  -3.144   2.144
   45   1HB   TRP   6          1HB       TRP   6  -4.058  -3.345   4.392
   46   2HB   TRP   6          2HB       TRP   6  -3.211  -4.682   3.610
   47    HD1  TRP   6           HD       TRP   6  -2.964  -2.476   6.523
   48    HE1  TRP   6           1HE      TRP   6  -0.602  -2.559   7.551
   49    HE3  TRP   6           3HE      TRP   6  -0.455  -4.853   2.768
   50    HZ2  TRP   6           2HZ      TRP   6   2.011  -3.504   6.868
   51    HZ3  TRP   6           3HZ      TRP   6   1.968  -5.332   2.978
   52    HH2  TRP   6           HH       TRP   6   3.202  -4.662   5.022
   53    H    GLY   7           H        GLY   7  -3.145  -1.544   0.506
   54   1HA   GLY   7          1HA       GLY   7  -5.914  -2.575   0.066
   55   2HA   GLY   7          2HA       GLY   7  -5.461  -0.914  -0.323
   56    H    LYS   8           H        LYS   8  -5.997  -3.798  -1.734
   57    HA   LYS   8           HA       LYS   8  -4.039  -4.594  -3.448
   58   1HB   LYS   8          1HB       LYS   8  -5.940  -4.735  -5.173
   59   2HB   LYS   8          2HB       LYS   8  -6.253  -5.490  -3.610
   60   1HG   LYS   8          1HG       LYS   8  -7.694  -3.788  -2.925
   61   2HG   LYS   8          2HG       LYS   8  -6.996  -2.612  -4.038
   62   1HD   LYS   8          1HD       LYS   8  -9.144  -3.233  -4.925
   63   2HD   LYS   8          2HD       LYS   8  -7.921  -4.002  -5.938
   64   1HE   LYS   8          1HE       LYS   8  -8.507  -6.114  -5.262
   65   2HE   LYS   8          2HE       LYS   8  -8.835  -5.594  -3.597
   66   1HZ   LYS   8          1HZ       LYS   8 -10.566  -5.446  -5.964
   67   2HZ   LYS   8          2HZ       LYS   8 -10.720  -4.249  -4.766
   68   3HZ   LYS   8          3HZ       LYS   8 -10.957  -5.884  -4.371
   69    H    CYS   9           H        CYS   9  -2.634  -3.529  -4.754
   70    HA   CYS   9           HA       CYS   9  -3.521  -1.169  -6.309
   71   1HB   CYS   9          1HB       CYS   9  -2.887  -0.085  -4.312
   72   2HB   CYS   9          2HB       CYS   9  -1.580  -1.224  -4.003
   73    H    SER  10           H        SER  10  -2.058  -0.717  -8.063
   74    HA   SER  10           HA       SER  10  -0.121  -2.929  -8.634
   75   1HB   SER  10          1HB       SER  10  -2.270  -1.829 -10.044
   76   2HB   SER  10          2HB       SER  10  -0.854  -1.130 -10.820
   77    HG   SER  10           HG       SER  10  -1.820  -3.515 -11.188
   78    H    GLN  11           H        GLN  11  -0.578   0.599  -8.918
   79    HA   GLN  11           HA       GLN  11   2.369   0.952  -8.585
   80   1HB   GLN  11          1HB       GLN  11   1.502   0.936 -11.026
   81   2HB   GLN  11          2HB       GLN  11   0.741   2.476 -10.624
   82   1HG   GLN  11          1HG       GLN  11   2.698   3.559 -10.845
   83   2HG   GLN  11          2HG       GLN  11   3.473   2.468  -9.694
   84   1HE2  GLN  11          1HE2      GLN  11   2.022   1.565 -12.841
   85   2HE2  GLN  11          2HE2      GLN  11   3.474   1.018 -13.532
   86    H    THR  12           H        THR  12   2.877   2.843  -7.410
   87    HA   THR  12           HA       THR  12   1.176   3.948  -5.543
   88    HB   THR  12           HB       THR  12   3.198   5.586  -7.088
   89    HG1  THR  12           1HG      THR  12   4.397   3.874  -6.710
   90   1HG2  THR  12          1HG2      THR  12   3.568   6.690  -5.017
   91   2HG2  THR  12          2HG2      THR  12   2.717   5.437  -4.111
   92   3HG2  THR  12          3HG2      THR  12   1.816   6.540  -5.150
   93    H    SER  13           H        SER  13  -0.947   4.368  -6.268
   94    HA   SER  13           HA       SER  13  -1.513   6.962  -7.317
   95   1HB   SER  13          1HB       SER  13  -0.572   6.186  -9.370
   96   2HB   SER  13          2HB       SER  13  -1.398   4.636  -9.242
   97    HG   SER  13           HG       SER  13  -2.585   5.857 -10.645
   98    H    ASP  14           H        ASP  14  -2.630   3.573  -7.238
   99    HA   ASP  14           HA       ASP  14  -5.447   4.147  -7.292
  100   1HB   ASP  14          1HB       ASP  14  -3.687   1.937  -7.196
  101   2HB   ASP  14          2HB       ASP  14  -4.736   1.779  -5.786
  102    HD2  ASP  14           HD2      ASP  14  -6.327   1.378  -9.364
  103    H    CYS  15           H        CYS  15  -3.533   2.981  -4.499
  104    HA   CYS  15           HA       CYS  15  -5.434   3.659  -2.509
  105   1HB   CYS  15          1HB       CYS  15  -3.524   3.351  -1.002
  106   2HB   CYS  15          2HB       CYS  15  -3.447   2.159  -2.303
  107    H    CYS  16           H        CYS  16  -4.234   5.283  -0.653
  108    HA   CYS  16           HA       CYS  16  -4.687   7.954  -1.751
  109   1HB   CYS  16          1HB       CYS  16  -4.458   6.595   0.814
  110   2HB   CYS  16          2HB       CYS  16  -3.616   8.144   0.818
  111    HA   PRO  17           HA       PRO  17  -0.555   9.097  -2.803
  112   1HB   PRO  17          1HB       PRO  17  -0.805  11.696  -1.589
  113   2HB   PRO  17          2HB       PRO  17  -0.949  11.281  -3.304
  114   1HG   PRO  17          1HG       PRO  17  -3.037  12.048  -1.486
  115   2HG   PRO  17          2HG       PRO  17  -3.182  11.648  -3.199
  116   1HD   PRO  17          1HD       PRO  17  -4.073  10.089  -0.952
  117   2HD   PRO  17          2HD       PRO  17  -4.167   9.660  -2.677
  118    H    HIS  18           H        HIS  18  -1.717   9.003   0.416
  119    HA   HIS  18           HA       HIS  18   0.851   9.787   1.638
  120   1HB   HIS  18          1HB       HIS  18  -1.910   9.686   2.301
  121   2HB   HIS  18          2HB       HIS  18  -1.036   8.704   3.476
  122    HD1  HIS  18           1HD      HIS  18  -0.394  12.324   1.911
  123    HD2  HIS  18           2HD      HIS  18  -0.165  10.040   5.394
  124    HE1  HIS  18           1HE      HIS  18   0.607  12.371   6.017
  125    HE2  HIS  18           2HE      HIS  18   0.609  12.369   6.017
  126    H    LEU  19           H        LEU  19   0.208   7.171  -0.005
  127    HA   LEU  19           HA       LEU  19   1.556   5.345   1.949
  128   1HB   LEU  19          1HB       LEU  19  -0.798   4.718   0.135
  129   2HB   LEU  19          2HB       LEU  19   0.013   3.564   1.193
  130    HG   LEU  19           HG       LEU  19  -0.586   5.701   2.878
  131   1HD1  LEU  19          1HD1      LEU  19  -3.086   5.924   2.474
  132   2HD1  LEU  19          2HD1      LEU  19  -2.065   6.742   1.295
  133   3HD1  LEU  19          3HD1      LEU  19  -2.816   5.201   0.889
  134   1HD2  LEU  19          1HD2      LEU  19  -1.436   3.974   4.065
  135   2HD2  LEU  19          2HD2      LEU  19  -1.045   2.947   2.685
  136   3HD2  LEU  19          3HD2      LEU  19  -2.657   3.645   2.835
  137    H    ALA  20           H        ALA  20   2.064   3.199   0.502
  138    HA   ALA  20           HA       ALA  20   3.099   4.074  -2.165
  139   1HB   ALA  20          1HB       ALA  20   5.040   2.386  -1.094
  140   2HB   ALA  20          2HB       ALA  20   5.144   4.145  -1.180
  141   3HB   ALA  20          3HB       ALA  20   4.540   3.369   0.284
  142    H    CYS  21           H        CYS  21   3.123   2.376  -3.702
  143    HA   CYS  21           HA       CYS  21   1.441   0.057  -3.065
  144   1HB   CYS  21          1HB       CYS  21   1.670   1.599  -5.207
  145   2HB   CYS  21          2HB       CYS  21   2.949   0.462  -5.630
  146    H    LYS  22           H        LYS  22   3.080  -0.821  -1.448
  147    HA   LYS  22           HA       LYS  22   4.919  -2.703  -2.836
  148   1HB   LYS  22          1HB       LYS  22   5.914  -1.065  -0.508
  149   2HB   LYS  22          2HB       LYS  22   6.849  -1.892  -1.751
  150   1HG   LYS  22          1HG       LYS  22   5.840  -0.244  -3.421
  151   2HG   LYS  22          2HG       LYS  22   5.256   0.666  -2.027
  152   1HD   LYS  22          1HD       LYS  22   8.127   0.044  -2.755
  153   2HD   LYS  22          2HD       LYS  22   7.367   1.630  -2.634
  154   1HE   LYS  22          1HE       LYS  22   6.866   0.713  -0.133
  155   2HE   LYS  22          2HE       LYS  22   8.388  -0.135  -0.472
  156   1HZ   LYS  22          1HZ       LYS  22   7.886   2.776  -0.811
  157   2HZ   LYS  22          2HZ       LYS  22   9.322   1.977  -1.245
  158   3HZ   LYS  22          3HZ       LYS  22   8.854   2.063   0.385
  159    H    SER  23           H        SER  23   4.080  -4.617  -1.995
  160    HA   SER  23           HA       SER  23   3.575  -4.700   0.957
  161   1HB   SER  23          1HB       SER  23   2.248  -6.829  -0.269
  162   2HB   SER  23          2HB       SER  23   1.524  -5.324   0.280
  163    HG   SER  23           HG       SER  23   2.184  -6.178  -2.268
  164    H    LYS  24           H        LYS  24   3.819  -6.980   1.843
  165    HA   LYS  24           HA       LYS  24   5.959  -8.547   0.454
  166   1HB   LYS  24          1HB       LYS  24   7.015  -8.743   2.741
  167   2HB   LYS  24          2HB       LYS  24   7.019  -7.099   2.103
  168   1HG   LYS  24          1HG       LYS  24   4.990  -6.581   3.401
  169   2HG   LYS  24          2HG       LYS  24   4.970  -8.225   4.035
  170   1HD   LYS  24          1HD       LYS  24   7.261  -6.273   4.414
  171   2HD   LYS  24          2HD       LYS  24   6.010  -6.593   5.617
  172   1HE   LYS  24          1HE       LYS  24   6.708  -8.869   5.885
  173   2HE   LYS  24          2HE       LYS  24   7.745  -8.789   4.448
  174   1HZ   LYS  24          1HZ       LYS  24   8.088  -6.937   6.731
  175   2HZ   LYS  24          2HZ       LYS  24   9.183  -7.280   5.477
  176   3HZ   LYS  24          3HZ       LYS  24   8.875  -8.440   6.680
  177    H    TRP  25           H        TRP  25   3.109  -9.005   0.618
  178    HA   TRP  25           HA       TRP  25   2.952 -11.730   1.312
  179   1HB   TRP  25          1HB       TRP  25   3.340 -11.290   3.575
  180   2HB   TRP  25          2HB       TRP  25   2.466  -9.764   3.536
  181    HD1  TRP  25           HD       TRP  25   0.459 -10.063   5.093
  182    HE1  TRP  25           1HE      TRP  25  -1.405 -11.822   5.365
  183    HE3  TRP  25           3HE      TRP  25   2.069 -13.577   1.755
  184    HZ2  TRP  25           2HZ      TRP  25  -2.120 -14.385   4.307
  185    HZ3  TRP  25           3HZ      TRP  25   0.780 -15.664   1.409
  186    HH2  TRP  25           HH       TRP  25  -1.310 -16.074   2.677
  187    HA   PRO  26           HA       PRO  26  -1.574  -9.845   1.113
  188   1HB   PRO  26          1HB       PRO  26  -1.212  -7.122   0.262
  189   2HB   PRO  26          2HB       PRO  26  -1.981  -7.703   1.743
  190   1HG   PRO  26          1HG       PRO  26   0.623  -6.463   1.425
  191   2HG   PRO  26          2HG       PRO  26  -0.224  -6.880   2.915
  192   1HD   PRO  26          1HD       PRO  26   2.075  -8.151   1.886
  193   2HD   PRO  26          2HD       PRO  26   1.046  -8.750   3.207
  194    H    ARG  27           H        ARG  27   1.222  -9.171  -0.785
  195    HA   ARG  27           HA       ARG  27   1.666  -9.404  -3.070
  196   1HB   ARG  27          1HB       ARG  27  -0.910 -10.900  -2.647
  197   2HB   ARG  27          2HB       ARG  27  -0.226 -10.758  -4.264
  198   1HG   ARG  27          1HG       ARG  27   1.973 -11.583  -3.242
  199   2HG   ARG  27          2HG       ARG  27   1.025 -12.017  -1.819
  200   1HD   ARG  27          1HD       ARG  27   0.163 -12.945  -4.561
  201   2HD   ARG  27          2HD       ARG  27   1.371 -13.854  -3.632
  202    HE   ARG  27           HE       ARG  27  -1.228 -13.125  -2.355
  203   1HH1  ARG  27          1HH1      ARG  27   1.430 -15.039  -1.976
  204   2HH1  ARG  27          2HH1      ARG  27   0.582 -16.538  -1.796
  205   1HH2  ARG  27          1HH2      ARG  27  -2.480 -15.224  -2.757
  206   2HH2  ARG  27          2HH2      ARG  27  -1.633 -16.642  -2.239
  207    H    ASN  28           H        ASN  28   1.656  -7.309  -3.794
  208    HA   ASN  28           HA       ASN  28   0.958  -5.491  -5.097
  209   1HB   ASN  28          1HB       ASN  28  -0.754  -7.782  -5.779
  210   2HB   ASN  28          2HB       ASN  28  -1.443  -6.215  -6.201
  211   1HD2  ASN  28          1HD2      ASN  28   1.702  -7.977  -6.462
  212   2HD2  ASN  28          2HD2      ASN  28   2.101  -7.331  -7.979
  213    H    ILE  29           H        ILE  29   0.594  -4.210  -3.131
  214    HA   ILE  29           HA       ILE  29  -2.166  -3.203  -3.004
  215    HB   ILE  29           HB       ILE  29  -2.486  -3.583  -0.665
  216   1HG1  ILE  29          1HG1      ILE  29  -0.613  -5.101   0.445
  217   2HG1  ILE  29          2HG1      ILE  29   0.403  -4.406  -0.817
  218   1HG2  ILE  29          1HG2      ILE  29  -2.597  -6.023  -0.589
  219   2HG2  ILE  29          2HG2      ILE  29  -1.398  -6.155  -1.873
  220   3HG2  ILE  29          3HG2      ILE  29  -2.993  -5.490  -2.221
  221   1HD1  ILE  29          1HD1      ILE  29  -1.268  -2.435   0.592
  222   2HD1  ILE  29          2HD1      ILE  29  -0.072  -3.229   1.618
  223   3HD1  ILE  29          3HD1      ILE  29   0.444  -2.363   0.171
  224    H    CYS  30           H        CYS  30  -2.018  -1.505  -0.937
  225    HA   CYS  30           HA       CYS  30   0.505   0.041  -1.421
  226   1HB   CYS  30          1HB       CYS  30  -1.816   0.747  -2.365
  227   2HB   CYS  30          2HB       CYS  30  -2.175   1.198  -0.697
  228    H    VAL  31           H        VAL  31   1.695  -0.148   0.470
  229    HA   VAL  31           HA       VAL  31   0.274  -0.275   3.070
  230    HB   VAL  31           HB       VAL  31   2.573  -0.755   3.909
  231   1HG1  VAL  31          1HG1      VAL  31   2.760  -2.933   2.864
  232   2HG1  VAL  31          2HG1      VAL  31   1.837  -2.384   1.465
  233   3HG1  VAL  31          3HG1      VAL  31   1.053  -2.537   3.037
  234   1HG2  VAL  31          1HG2      VAL  31   3.392  -0.678   0.996
  235   2HG2  VAL  31          2HG2      VAL  31   4.430  -0.898   2.403
  236   3HG2  VAL  31          3HG2      VAL  31   3.676   0.664   2.104
  237    H    TRP  32           H        TRP  32   0.164   1.429   4.432
  238    HA   TRP  32           HA       TRP  32   0.590   4.090   3.773
  239   1HB   TRP  32          1HB       TRP  32  -0.585   3.844   5.721
  240   2HB   TRP  32          2HB       TRP  32   0.303   2.388   6.159
  241    HD1  TRP  32           HD       TRP  32   2.488   2.653   7.604
  242    HE1  TRP  32           1HE      TRP  32   3.408   4.595   9.021
  243    HE3  TRP  32           3HE      TRP  32  -0.418   6.476   5.857
  244    HZ2  TRP  32           2HZ      TRP  32   2.976   7.403   9.372
  245    HZ3  TRP  32           3HZ      TRP  32  -0.143   8.769   6.754
  246    HH2  TRP  32           HH       TRP  32   1.548   9.238   8.502
  247    H    ASP  33           H        ASP  33   2.347   5.564   4.109
  248    HA   ASP  33           HA       ASP  33   5.015   4.417   3.816
  249   1HB   ASP  33          1HB       ASP  33   3.617   6.867   3.351
  250   2HB   ASP  33          2HB       ASP  33   5.022   7.232   4.355
  251    HD2  ASP  33           HD2      ASP  33   6.324   5.250   1.265
  252    H    GLY  34           H        GLY  34   5.041   3.273   5.966
  253   1HA   GLY  34          1HA       GLY  34   5.743   5.164   8.177
  254   2HA   GLY  34          2HA       GLY  34   4.906   3.636   8.469
  255    H    SER  35           H        SER  35   6.359   1.957   6.754
  256    HA   SER  35           HA       SER  35   8.841   1.644   8.321
  257   1HB   SER  35          1HB       SER  35   8.780  -0.560   7.464
  258   2HB   SER  35          2HB       SER  35   7.076  -0.130   7.597
  259    HG   SER  35           HG       SER  35   8.640  -0.571   5.372
  260    H    VAL  36           H        VAL  36   9.640   3.767   7.211
  261    HA   VAL  36           HA       VAL  36  11.124   4.779   5.680
  262    HB   VAL  36           HB       VAL  36  11.667   1.864   5.047
  263   1HG1  VAL  36          1HG1      VAL  36  12.946   2.968   3.481
  264   2HG1  VAL  36          2HG1      VAL  36  14.049   3.087   4.852
  265   3HG1  VAL  36          3HG1      VAL  36  13.013   4.451   4.428
  266   1HG2  VAL  36          1HG2      VAL  36  13.609   2.543   6.776
  267   2HG2  VAL  36          2HG2      VAL  36  12.069   1.872   7.315
  268   3HG2  VAL  36          3HG2      VAL  36  12.337   3.616   7.364
  Start of MODEL   16
    1   1H    ASP   1          1HT       ASP   1 -11.010   6.724  -6.357
    2   2H    ASP   1          2HT       ASP   1 -11.376   7.968  -5.261
    3   3H    ASP   1          3HT       ASP   1 -12.628   7.111  -6.022
    4    HA   ASP   1           HA       ASP   1 -12.272   6.421  -3.677
    5   1HB   ASP   1          1HB       ASP   1 -13.087   5.073  -5.790
    6   2HB   ASP   1          2HB       ASP   1 -11.565   4.204  -5.583
    7    HD2  ASP   1           HD2      ASP   1 -12.706   2.632  -2.728
    8    H    CYS   2           H        CYS   2 -10.369   7.075  -2.560
    9    HA   CYS   2           HA       CYS   2  -7.711   6.201  -3.341
   10   1HB   CYS   2          1HB       CYS   2  -8.991   7.943  -1.459
   11   2HB   CYS   2          2HB       CYS   2  -7.876   6.900  -0.579
   12    H    VAL   3           H        VAL   3  -6.355   4.893  -1.769
   13    HA   VAL   3           HA       VAL   3  -7.962   2.666  -0.562
   14    HB   VAL   3           HB       VAL   3  -5.216   2.428  -1.799
   15   1HG1  VAL   3          1HG1      VAL   3  -7.235   0.260  -1.882
   16   2HG1  VAL   3          2HG1      VAL   3  -6.615   0.677  -0.283
   17   3HG1  VAL   3          3HG1      VAL   3  -5.504   0.176  -1.559
   18   1HG2  VAL   3          1HG2      VAL   3  -6.280   1.759  -3.893
   19   2HG2  VAL   3          2HG2      VAL   3  -6.822   3.382  -3.465
   20   3HG2  VAL   3          3HG2      VAL   3  -7.879   1.997  -3.186
   21    H    ARG   4           H        ARG   4  -7.085   1.812   1.410
   22    HA   ARG   4           HA       ARG   4  -5.162   3.661   2.765
   23   1HB   ARG   4          1HB       ARG   4  -6.223   2.537   4.820
   24   2HB   ARG   4          2HB       ARG   4  -7.275   3.573   3.854
   25   1HG   ARG   4          1HG       ARG   4  -8.486   1.798   3.013
   26   2HG   ARG   4          2HG       ARG   4  -7.124   0.684   3.115
   27   1HD   ARG   4          1HD       ARG   4  -7.407   0.386   5.470
   28   2HD   ARG   4          2HD       ARG   4  -8.511   1.772   5.581
   29    HE   ARG   4           HE       ARG   4  -9.496  -0.162   3.677
   30   1HH1  ARG   4          1HH1      ARG   4  -8.649  -1.364   6.506
   31   2HH1  ARG   4          2HH1      ARG   4 -10.221  -1.482   7.222
   32   1HH2  ARG   4          1HH2      ARG   4 -11.755   0.493   4.820
   33   2HH2  ARG   4          2HH2      ARG   4 -11.979  -0.431   6.268
   34    H    PHE   5           H        PHE   5  -4.296   2.165   4.830
   35    HA   PHE   5           HA       PHE   5  -2.071   0.766   4.020
   36   1HB   PHE   5          1HB       PHE   5  -3.361   1.368   6.364
   37   2HB   PHE   5          2HB       PHE   5  -3.467  -0.392   6.349
   38    HD1  PHE   5           1HD      PHE   5  -1.691   1.799   7.984
   39    HD2  PHE   5           2HD      PHE   5  -0.963  -1.072   4.877
   40    HE1  PHE   5           1HE      PHE   5   0.687   1.658   8.672
   41    HE2  PHE   5           2HE      PHE   5   1.414  -1.214   5.562
   42    HZ   PHE   5           HZ       PHE   5   2.240   0.153   7.456
   43    H    TRP   6           H        TRP   6  -1.641  -1.238   3.165
   44    HA   TRP   6           HA       TRP   6  -2.039  -3.366   2.218
   45   1HB   TRP   6          1HB       TRP   6  -4.118  -3.547   4.414
   46   2HB   TRP   6          2HB       TRP   6  -3.142  -4.851   3.738
   47    HD1  TRP   6           HD       TRP   6  -3.218  -2.446   6.523
   48    HE1  TRP   6           1HE      TRP   6  -0.950  -2.392   7.749
   49    HE3  TRP   6           3HE      TRP   6  -0.336  -5.004   3.173
   50    HZ2  TRP   6           2HZ      TRP   6   1.727  -3.312   7.366
   51    HZ3  TRP   6           3HZ      TRP   6   2.068  -5.400   3.630
   52    HH2  TRP   6           HH       TRP   6   3.102  -4.559   5.719
   53    H    GLY   7           H        GLY   7  -3.139  -1.743   0.573
   54   1HA   GLY   7          1HA       GLY   7  -5.910  -2.764   0.136
   55   2HA   GLY   7          2HA       GLY   7  -5.482  -1.085  -0.203
   56    H    LYS   8           H        LYS   8  -5.954  -3.959  -1.681
   57    HA   LYS   8           HA       LYS   8  -3.977  -4.651  -3.416
   58   1HB   LYS   8          1HB       LYS   8  -5.795  -5.047  -5.066
   59   2HB   LYS   8          2HB       LYS   8  -6.280  -5.525  -3.439
   60   1HG   LYS   8          1HG       LYS   8  -7.344  -3.258  -3.170
   61   2HG   LYS   8          2HG       LYS   8  -7.005  -2.958  -4.877
   62   1HD   LYS   8          1HD       LYS   8  -8.287  -5.056  -5.424
   63   2HD   LYS   8          2HD       LYS   8  -8.752  -5.151  -3.727
   64   1HE   LYS   8          1HE       LYS   8  -9.300  -2.489  -4.523
   65   2HE   LYS   8          2HE       LYS   8  -9.927  -3.536  -5.812
   66   1HZ   LYS   8          1HZ       LYS   8 -11.253  -4.700  -4.356
   67   2HZ   LYS   8          2HZ       LYS   8 -11.352  -3.141  -3.693
   68   3HZ   LYS   8          3HZ       LYS   8 -10.320  -4.300  -2.999
   69    H    CYS   9           H        CYS   9  -2.621  -3.520  -4.721
   70    HA   CYS   9           HA       CYS   9  -3.627  -1.165  -6.225
   71   1HB   CYS   9          1HB       CYS   9  -2.912  -0.044  -4.302
   72   2HB   CYS   9          2HB       CYS   9  -1.655  -1.228  -3.961
   73    H    SER  10           H        SER  10  -2.806  -1.324  -8.279
   74    HA   SER  10           HA       SER  10  -0.031  -2.170  -8.749
   75   1HB   SER  10          1HB       SER  10  -0.550  -4.206  -9.861
   76   2HB   SER  10          2HB       SER  10  -1.540  -4.234  -8.404
   77    HG   SER  10           HG       SER  10  -2.952  -4.677  -9.991
   78    H    GLN  11           H        GLN  11  -0.912   0.265  -9.405
   79    HA   GLN  11           HA       GLN  11  -0.947   0.223 -12.352
   80   1HB   GLN  11          1HB       GLN  11  -3.041   1.768 -12.222
   81   2HB   GLN  11          2HB       GLN  11  -3.281   0.032 -12.024
   82   1HG   GLN  11          1HG       GLN  11  -3.344   0.258  -9.609
   83   2HG   GLN  11          2HG       GLN  11  -2.916   1.965  -9.716
   84   1HE2  GLN  11          1HE2      GLN  11  -4.547   3.348 -11.030
   85   2HE2  GLN  11          2HE2      GLN  11  -6.190   2.949 -10.885
   86    H    THR  12           H        THR  12  -2.302   3.078 -11.077
   87    HA   THR  12           HA       THR  12   0.411   4.330 -10.824
   88    HB   THR  12           HB       THR  12  -0.717   4.708 -13.025
   89    HG1  THR  12           1HG      THR  12  -0.761   7.080 -11.496
   90   1HG2  THR  12          1HG2      THR  12  -2.843   5.561 -13.214
   91   2HG2  THR  12          2HG2      THR  12  -2.730   6.462 -11.704
   92   3HG2  THR  12          3HG2      THR  12  -3.029   4.724 -11.675
   93    H    SER  13           H        SER  13   0.460   4.769  -8.621
   94    HA   SER  13           HA       SER  13  -0.229   5.622  -6.521
   95   1HB   SER  13          1HB       SER  13   0.146   7.687  -7.664
   96   2HB   SER  13          2HB       SER  13  -1.328   7.513  -8.614
   97    HG   SER  13           HG       SER  13  -2.346   8.464  -7.052
   98    H    ASP  14           H        ASP  14  -1.908   3.493  -7.414
   99    HA   ASP  14           HA       ASP  14  -4.669   3.936  -7.555
  100   1HB   ASP  14          1HB       ASP  14  -3.094   1.795  -7.495
  101   2HB   ASP  14          2HB       ASP  14  -3.568   1.772  -5.795
  102    HD2  ASP  14           HD2      ASP  14  -6.954   1.776  -7.555
  103    H    CYS  15           H        CYS  15  -2.965   3.132  -4.502
  104    HA   CYS  15           HA       CYS  15  -5.127   3.967  -2.809
  105   1HB   CYS  15          1HB       CYS  15  -3.464   3.651  -1.049
  106   2HB   CYS  15          2HB       CYS  15  -3.247   2.392  -2.265
  107    H    CYS  16           H        CYS  16  -4.217   5.695  -0.938
  108    HA   CYS  16           HA       CYS  16  -4.252   8.268  -2.332
  109   1HB   CYS  16          1HB       CYS  16  -4.665   7.160   0.319
  110   2HB   CYS  16          2HB       CYS  16  -3.703   8.635   0.386
  111    HA   PRO  17           HA       PRO  17   0.015   9.238  -2.620
  112   1HB   PRO  17          1HB       PRO  17  -0.231  11.799  -1.324
  113   2HB   PRO  17          2HB       PRO  17  -0.142  11.462  -3.060
  114   1HG   PRO  17          1HG       PRO  17  -2.428  12.305  -1.534
  115   2HG   PRO  17          2HG       PRO  17  -2.331  11.996  -3.270
  116   1HD   PRO  17          1HD       PRO  17  -3.677  10.410  -1.291
  117   2HD   PRO  17          2HD       PRO  17  -3.499  10.053  -3.026
  118    H    HIS  18           H        HIS  18  -1.589   9.134   0.413
  119    HA   HIS  18           HA       HIS  18   0.813   9.706   2.005
  120   1HB   HIS  18          1HB       HIS  18  -2.015   9.628   2.294
  121   2HB   HIS  18          2HB       HIS  18  -1.316   8.549   3.503
  122    HD1  HIS  18           1HD      HIS  18  -0.054  12.120   2.251
  123    HD2  HIS  18           2HD      HIS  18  -1.026   9.858   5.620
  124    HE1  HIS  18           1HE      HIS  18  -0.189  12.093   6.475
  125    HE2  HIS  18           2HE      HIS  18  -0.189  12.091   6.474
  126    H    LEU  19           H        LEU  19   0.219   7.209   0.110
  127    HA   LEU  19           HA       LEU  19   1.473   5.244   1.976
  128   1HB   LEU  19          1HB       LEU  19  -0.937   4.775   0.186
  129   2HB   LEU  19          2HB       LEU  19  -0.153   3.551   1.185
  130    HG   LEU  19           HG       LEU  19  -0.618   5.581   2.994
  131   1HD1  LEU  19          1HD1      LEU  19  -2.038   6.547   1.010
  132   2HD1  LEU  19          2HD1      LEU  19  -3.195   5.299   1.470
  133   3HD1  LEU  19          3HD1      LEU  19  -2.724   6.538   2.634
  134   1HD2  LEU  19          1HD2      LEU  19  -1.299   3.638   3.929
  135   2HD2  LEU  19          2HD2      LEU  19  -1.652   2.928   2.354
  136   3HD2  LEU  19          3HD2      LEU  19  -2.858   3.927   3.160
  137    H    ALA  20           H        ALA  20   2.115   3.224   0.571
  138    HA   ALA  20           HA       ALA  20   2.984   4.077  -2.166
  139   1HB   ALA  20          1HB       ALA  20   5.017   4.289  -1.116
  140   2HB   ALA  20          2HB       ALA  20   4.532   3.262   0.235
  141   3HB   ALA  20          3HB       ALA  20   5.052   2.533  -1.285
  142    H    CYS  21           H        CYS  21   3.090   2.314  -3.671
  143    HA   CYS  21           HA       CYS  21   1.415   0.006  -2.982
  144   1HB   CYS  21          1HB       CYS  21   1.707   1.489  -5.171
  145   2HB   CYS  21          2HB       CYS  21   2.959   0.302  -5.531
  146    H    LYS  22           H        LYS  22   2.503  -1.367  -1.605
  147    HA   LYS  22           HA       LYS  22   5.198  -2.339  -2.463
  148   1HB   LYS  22          1HB       LYS  22   3.704  -2.470   0.177
  149   2HB   LYS  22          2HB       LYS  22   5.340  -3.074  -0.091
  150   1HG   LYS  22          1HG       LYS  22   4.511  -0.201  -0.578
  151   2HG   LYS  22          2HG       LYS  22   5.262  -0.765   0.917
  152   1HD   LYS  22          1HD       LYS  22   6.998  -1.803  -0.874
  153   2HD   LYS  22          2HD       LYS  22   6.458  -0.386  -1.777
  154   1HE   LYS  22          1HE       LYS  22   7.451   1.085  -0.316
  155   2HE   LYS  22          2HE       LYS  22   7.114   0.062   1.096
  156   1HZ   LYS  22          1HZ       LYS  22   9.111  -0.533  -1.025
  157   2HZ   LYS  22          2HZ       LYS  22   8.784  -1.501   0.334
  158   3HZ   LYS  22          3HZ       LYS  22   9.479   0.038   0.530
  159    H    SER  23           H        SER  23   5.515  -4.580  -2.626
  160    HA   SER  23           HA       SER  23   3.150  -6.373  -2.353
  161   1HB   SER  23          1HB       SER  23   4.027  -7.243  -4.696
  162   2HB   SER  23          2HB       SER  23   2.948  -5.856  -4.611
  163    HG   SER  23           HG       SER  23   5.714  -5.973  -5.079
  164    H    LYS  24           H        LYS  24   4.086  -7.668  -0.765
  165    HA   LYS  24           HA       LYS  24   6.315  -9.413  -1.606
  166   1HB   LYS  24          1HB       LYS  24   6.435  -7.537   0.781
  167   2HB   LYS  24          2HB       LYS  24   7.626  -8.791   0.430
  168   1HG   LYS  24          1HG       LYS  24   7.853  -7.672  -1.883
  169   2HG   LYS  24          2HG       LYS  24   7.008  -6.303  -1.163
  170   1HD   LYS  24          1HD       LYS  24   9.261  -7.405   0.422
  171   2HD   LYS  24          2HD       LYS  24   9.704  -6.592  -1.079
  172   1HE   LYS  24          1HE       LYS  24   9.097  -4.533  -0.282
  173   2HE   LYS  24          2HE       LYS  24   7.677  -5.179   0.567
  174   1HZ   LYS  24          1HZ       LYS  24   9.003  -6.007   2.298
  175   2HZ   LYS  24          2HZ       LYS  24   9.600  -4.441   2.016
  176   3HZ   LYS  24          3HZ       LYS  24  10.442  -5.792   1.427
  177    H    TRP  25           H        TRP  25   3.389  -9.396  -0.688
  178    HA   TRP  25           HA       TRP  25   3.169 -11.897   0.500
  179   1HB   TRP  25          1HB       TRP  25   4.362 -11.328   2.426
  180   2HB   TRP  25          2HB       TRP  25   3.784  -9.668   2.423
  181    HD1  TRP  25           HD       TRP  25   2.418  -9.373   4.560
  182    HE1  TRP  25           1HE      TRP  25   0.535 -10.686   5.736
  183    HE3  TRP  25           3HE      TRP  25   2.218 -13.503   1.564
  184    HZ2  TRP  25           2HZ      TRP  25  -0.868 -13.161   5.445
  185    HZ3  TRP  25           3HZ      TRP  25   0.603 -15.322   2.036
  186    HH2  TRP  25           HH       TRP  25  -0.940 -15.156   3.969
  187    HA   PRO  26           HA       PRO  26  -0.885  -9.339   1.366
  188   1HB   PRO  26          1HB       PRO  26  -0.475  -6.777   0.138
  189   2HB   PRO  26          2HB       PRO  26  -0.802  -7.116   1.841
  190   1HG   PRO  26          1HG       PRO  26   1.678  -6.262   0.637
  191   2HG   PRO  26          2HG       PRO  26   1.325  -6.527   2.347
  192   1HD   PRO  26          1HD       PRO  26   2.972  -8.132   0.656
  193   2HD   PRO  26          2HD       PRO  26   2.497  -8.473   2.336
  194    H    ARG  27           H        ARG  27   1.280  -9.349  -1.285
  195    HA   ARG  27           HA       ARG  27   1.016  -9.872  -3.538
  196   1HB   ARG  27          1HB       ARG  27  -1.668 -10.566  -2.359
  197   2HB   ARG  27          2HB       ARG  27  -1.360 -10.753  -4.082
  198   1HG   ARG  27          1HG       ARG  27   0.092 -12.494  -3.771
  199   2HG   ARG  27          2HG       ARG  27   0.703 -11.847  -2.247
  200   1HD   ARG  27          1HD       ARG  27  -0.539 -13.728  -1.545
  201   2HD   ARG  27          2HD       ARG  27  -1.713 -12.412  -1.359
  202    HE   ARG  27           HE       ARG  27  -2.614 -13.033  -3.603
  203   1HH1  ARG  27          1HH2      ARG  27  -1.792 -15.379  -1.399
  204   2HH1  ARG  27          2HH2      ARG  27  -1.754 -16.696  -2.523
  205   1HH2  ARG  27          1HH1      ARG  27  -2.014 -14.665  -5.321
  206   2HH2  ARG  27          2HH1      ARG  27  -1.878 -16.293  -4.742
  207    H    ASN  28           H        ASN  28   1.379  -7.509  -3.776
  208    HA   ASN  28           HA       ASN  28   0.919  -5.533  -4.956
  209   1HB   ASN  28          1HB       ASN  28  -1.541  -7.081  -5.810
  210   2HB   ASN  28          2HB       ASN  28  -0.803  -5.724  -6.659
  211   1HD2  ASN  28          1HD2      ASN  28   1.974  -6.538  -6.257
  212   2HD2  ASN  28          2HD2      ASN  28   2.230  -7.927  -7.197
  213    H    ILE  29           H        ILE  29   0.533  -4.171  -3.154
  214    HA   ILE  29           HA       ILE  29  -2.224  -3.177  -2.935
  215    HB   ILE  29           HB       ILE  29  -2.485  -3.525  -0.603
  216   1HG1  ILE  29          1HG1      ILE  29  -0.533  -4.999   0.488
  217   2HG1  ILE  29          2HG1      ILE  29   0.435  -4.213  -0.756
  218   1HG2  ILE  29          1HG2      ILE  29  -2.983  -5.485  -2.074
  219   2HG2  ILE  29          2HG2      ILE  29  -2.509  -5.971  -0.448
  220   3HG2  ILE  29          3HG2      ILE  29  -1.356  -6.095  -1.775
  221   1HD1  ILE  29          1HD1      ILE  29  -0.206  -3.142   1.724
  222   2HD1  ILE  29          2HD1      ILE  29   0.396  -2.232   0.338
  223   3HD1  ILE  29          3HD1      ILE  29  -1.340  -2.346   0.636
  224    H    CYS  30           H        CYS  30  -2.026  -1.487  -0.878
  225    HA   CYS  30           HA       CYS  30   0.483   0.070  -1.375
  226   1HB   CYS  30          1HB       CYS  30  -2.117   0.592  -2.180
  227   2HB   CYS  30          2HB       CYS  30  -1.942   1.570  -0.721
  228    H    VAL  31           H        VAL  31   1.577  -0.100   0.571
  229    HA   VAL  31           HA       VAL  31   0.043  -0.080   3.120
  230    HB   VAL  31           HB       VAL  31   2.311  -0.616   4.054
  231   1HG1  VAL  31          1HG1      VAL  31   1.665  -2.385   1.694
  232   2HG1  VAL  31          2HG1      VAL  31   0.662  -2.340   3.144
  233   3HG1  VAL  31          3HG1      VAL  31   2.345  -2.857   3.250
  234   1HG2  VAL  31          1HG2      VAL  31   4.142  -0.165   2.834
  235   2HG2  VAL  31          2HG2      VAL  31   3.115   0.414   1.523
  236   3HG2  VAL  31          3HG2      VAL  31   3.595  -1.280   1.585
  237    H    TRP  32           H        TRP  32  -0.022   1.696   4.420
  238    HA   TRP  32           HA       TRP  32   0.545   4.302   3.726
  239   1HB   TRP  32          1HB       TRP  32  -0.570   4.165   5.721
  240   2HB   TRP  32          2HB       TRP  32   0.261   2.679   6.176
  241    HD1  TRP  32           HD       TRP  32   2.115   2.864   7.911
  242    HE1  TRP  32           1HE      TRP  32   3.340   4.800   9.084
  243    HE3  TRP  32           3HE      TRP  32   0.282   6.808   5.236
  244    HZ2  TRP  32           2HZ      TRP  32   3.520   7.653   8.911
  245    HZ3  TRP  32           3HZ      TRP  32   0.997   9.123   5.761
  246    HH2  TRP  32           HH       TRP  32   2.613   9.550   7.593
  247    H    ASP  33           H        ASP  33   2.395   5.644   3.761
  248    HA   ASP  33           HA       ASP  33   5.007   4.249   3.821
  249   1HB   ASP  33          1HB       ASP  33   3.851   6.815   2.817
  250   2HB   ASP  33          2HB       ASP  33   5.580   6.787   3.160
  251    HD2  ASP  33           HD2      ASP  33   4.700   5.404  -0.204
  252    H    GLY  34           H        GLY  34   6.134   4.191   5.720
  253   1HA   GLY  34          1HA       GLY  34   5.431   5.740   8.032
  254   2HA   GLY  34          2HA       GLY  34   6.915   4.801   7.848
  255    H    SER  35           H        SER  35   7.867   6.167   5.490
  256    HA   SER  35           HA       SER  35   8.944   8.592   6.801
  257   1HB   SER  35          1HB       SER  35  10.399   8.526   4.719
  258   2HB   SER  35          2HB       SER  35  10.480   7.077   5.717
  259    HG   SER  35           HG       SER  35   9.532   5.973   4.182
  260    H    VAL  36           H        VAL  36   6.514   9.421   6.529
  261    HA   VAL  36           HA       VAL  36   5.077  10.966   5.465
  262    HB   VAL  36           HB       VAL  36   7.733  11.499   4.097
  263   1HG1  VAL  36          1HG1      VAL  36   6.005  13.789   4.230
  264   2HG1  VAL  36          2HG1      VAL  36   5.141  12.472   3.436
  265   3HG1  VAL  36          3HG1      VAL  36   6.694  13.016   2.802
  266   1HG2  VAL  36          1HG2      VAL  36   8.071  12.015   6.343
  267   2HG2  VAL  36          2HG2      VAL  36   6.377  12.433   6.607
  268   3HG2  VAL  36          3HG2      VAL  36   7.437  13.549   5.748
  Start of MODEL   17
    1   1H    ASP   1          1HT       ASP   1 -12.830   6.510  -6.308
    2   2H    ASP   1          2HT       ASP   1 -11.174   6.175  -6.485
    3   3H    ASP   1          3HT       ASP   1 -11.689   7.742  -6.068
    4    HA   ASP   1           HA       ASP   1 -12.203   7.157  -3.897
    5   1HB   ASP   1          1HB       ASP   1 -13.643   5.300  -4.735
    6   2HB   ASP   1          2HB       ASP   1 -12.201   4.302  -4.933
    7    HD2  ASP   1           HD2      ASP   1 -12.294   3.454  -1.624
    8    H    CYS   2           H        CYS   2 -10.551   7.013  -2.374
    9    HA   CYS   2           HA       CYS   2  -7.864   6.267  -3.368
   10   1HB   CYS   2          1HB       CYS   2  -9.041   8.110  -1.529
   11   2HB   CYS   2          2HB       CYS   2  -7.937   7.078  -0.620
   12    H    VAL   3           H        VAL   3  -6.450   5.014  -1.787
   13    HA   VAL   3           HA       VAL   3  -8.015   2.857  -0.414
   14    HB   VAL   3           HB       VAL   3  -5.345   2.506  -1.787
   15   1HG1  VAL   3          1HG1      VAL   3  -6.322   0.145  -1.980
   16   2HG1  VAL   3          2HG1      VAL   3  -7.580   0.689  -0.870
   17   3HG1  VAL   3          3HG1      VAL   3  -5.894   0.680  -0.355
   18   1HG2  VAL   3          1HG2      VAL   3  -6.450   3.024  -3.717
   19   2HG2  VAL   3          2HG2      VAL   3  -8.037   2.833  -2.974
   20   3HG2  VAL   3          3HG2      VAL   3  -7.147   1.416  -3.527
   21    H    ARG   4           H        ARG   4  -6.710   1.800   1.350
   22    HA   ARG   4           HA       ARG   4  -4.707   3.694   2.536
   23   1HB   ARG   4          1HB       ARG   4  -5.761   3.191   4.696
   24   2HB   ARG   4          2HB       ARG   4  -6.972   3.781   3.558
   25   1HG   ARG   4          1HG       ARG   4  -6.512   0.842   3.608
   26   2HG   ARG   4          2HG       ARG   4  -7.332   1.542   5.005
   27   1HD   ARG   4          1HD       ARG   4  -8.481   2.743   2.691
   28   2HD   ARG   4          2HD       ARG   4  -8.434   0.991   2.413
   29    HE   ARG   4           HE       ARG   4  -9.295   1.088   4.990
   30   1HH1  ARG   4          1HH1      ARG   4 -10.305   2.500   2.017
   31   2HH1  ARG   4          2HH1      ARG   4 -11.902   2.870   2.582
   32   1HH2  ARG   4          1HH2      ARG   4 -11.325   1.710   5.796
   33   2HH2  ARG   4          2HH2      ARG   4 -12.478   2.424   4.717
   34    H    PHE   5           H        PHE   5  -4.043   2.195   4.737
   35    HA   PHE   5           HA       PHE   5  -1.955   0.565   4.019
   36   1HB   PHE   5          1HB       PHE   5  -3.284   1.319   6.320
   37   2HB   PHE   5          2HB       PHE   5  -3.438  -0.437   6.343
   38    HD1  PHE   5           1HD      PHE   5  -0.821  -0.835   4.656
   39    HD2  PHE   5           2HD      PHE   5  -1.734   1.352   8.234
   40    HE1  PHE   5           1HE      PHE   5   1.540  -1.034   5.371
   41    HE2  PHE   5           2HE      PHE   5   0.632   1.152   8.954
   42    HZ   PHE   5           HZ       PHE   5   2.268  -0.042   7.520
   43    H    TRP   6           H        TRP   6  -1.686  -1.450   3.191
   44    HA   TRP   6           HA       TRP   6  -2.210  -3.539   2.244
   45   1HB   TRP   6          1HB       TRP   6  -4.155  -3.618   4.569
   46   2HB   TRP   6          2HB       TRP   6  -3.294  -4.975   3.840
   47    HD1  TRP   6           HD       TRP   6  -3.075  -2.704   6.678
   48    HE1  TRP   6           1HE      TRP   6  -0.697  -2.664   7.675
   49    HE3  TRP   6           3HE      TRP   6  -0.500  -5.031   2.929
   50    HZ2  TRP   6           2HZ      TRP   6   1.944  -3.505   6.979
   51    HZ3  TRP   6           3HZ      TRP   6   1.944  -5.399   3.122
   52    HH2  TRP   6           HH       TRP   6   3.168  -4.638   5.141
   53    H    GLY   7           H        GLY   7  -3.208  -2.442   0.433
   54   1HA   GLY   7          1HA       GLY   7  -5.978  -3.318   0.038
   55   2HA   GLY   7          2HA       GLY   7  -5.694  -1.581  -0.137
   56    H    LYS   8           H        LYS   8  -5.839  -4.377  -1.888
   57    HA   LYS   8           HA       LYS   8  -3.770  -4.679  -3.620
   58   1HB   LYS   8          1HB       LYS   8  -5.588  -4.897  -5.423
   59   2HB   LYS   8          2HB       LYS   8  -5.820  -5.863  -3.964
   60   1HG   LYS   8          1HG       LYS   8  -6.988  -3.350  -3.420
   61   2HG   LYS   8          2HG       LYS   8  -7.509  -3.783  -5.046
   62   1HD   LYS   8          1HD       LYS   8  -7.761  -5.518  -2.572
   63   2HD   LYS   8          2HD       LYS   8  -9.080  -4.703  -3.413
   64   1HE   LYS   8          1HE       LYS   8  -9.128  -6.253  -5.108
   65   2HE   LYS   8          2HE       LYS   8  -7.365  -6.461  -5.092
   66   1HZ   LYS   8          1HZ       LYS   8  -7.447  -7.900  -3.331
   67   2HZ   LYS   8          2HZ       LYS   8  -8.906  -8.304  -4.100
   68   3HZ   LYS   8          3HZ       LYS   8  -8.912  -7.288  -2.739
   69    H    CYS   9           H        CYS   9  -2.485  -3.263  -4.680
   70    HA   CYS   9           HA       CYS   9  -3.688  -0.785  -5.842
   71   1HB   CYS   9          1HB       CYS   9  -2.811  -0.025  -3.799
   72   2HB   CYS   9          2HB       CYS   9  -1.478  -1.176  -3.835
   73    H    SER  10           H        SER  10  -2.120   0.239  -7.421
   74    HA   SER  10           HA       SER  10  -0.021  -1.545  -8.512
   75   1HB   SER  10          1HB       SER  10  -2.332  -0.580 -10.214
   76   2HB   SER  10          2HB       SER  10  -1.106  -1.770 -10.641
   77    HG   SER  10           HG       SER  10  -1.998  -3.189  -9.202
   78    H    GLN  11           H        GLN  11   1.669  -0.182  -8.966
   79    HA   GLN  11           HA       GLN  11   2.844   1.767  -9.615
   80   1HB   GLN  11          1HB       GLN  11   0.979   1.228 -11.489
   81   2HB   GLN  11          2HB       GLN  11   0.396   2.807 -10.962
   82   1HG   GLN  11          1HG       GLN  11   1.903   3.471 -12.585
   83   2HG   GLN  11          2HG       GLN  11   2.970   3.441 -11.181
   84   1HE2  GLN  11          1HE2      GLN  11   4.263   3.098 -13.566
   85   2HE2  GLN  11          2HE2      GLN  11   4.697   1.475 -13.805
   86    H    THR  12           H        THR  12   1.218   4.316 -10.127
   87    HA   THR  12           HA       THR  12   0.564   4.966  -7.274
   88    HB   THR  12           HB       THR  12   1.654   7.078  -9.045
   89    HG1  THR  12           1HG      THR  12   3.795   6.219  -8.665
   90   1HG2  THR  12          1HG2      THR  12   1.719   7.921  -6.947
   91   2HG2  THR  12          2HG2      THR  12   3.153   6.918  -6.726
   92   3HG2  THR  12          3HG2      THR  12   1.574   6.325  -6.214
   93    H    SER  13           H        SER  13  -1.685   5.086  -7.430
   94    HA   SER  13           HA       SER  13  -2.928   7.360  -8.596
   95   1HB   SER  13          1HB       SER  13  -2.383   6.523 -10.741
   96   2HB   SER  13          2HB       SER  13  -2.720   4.859 -10.270
   97    HG   SER  13           HG       SER  13  -4.744   6.818 -10.190
   98    H    ASP  14           H        ASP  14  -3.346   3.896  -7.877
   99    HA   ASP  14           HA       ASP  14  -6.185   4.053  -7.352
  100   1HB   ASP  14          1HB       ASP  14  -3.929   2.138  -7.029
  101   2HB   ASP  14          2HB       ASP  14  -5.357   1.849  -6.033
  102    HD2  ASP  14           HD2      ASP  14  -6.476   0.243  -8.898
  103    H    CYS  15           H        CYS  15  -3.600   3.313  -4.987
  104    HA   CYS  15           HA       CYS  15  -5.203   4.071  -2.723
  105   1HB   CYS  15          1HB       CYS  15  -3.176   2.502  -2.924
  106   2HB   CYS  15          2HB       CYS  15  -2.191   3.963  -2.859
  107    H    CYS  16           H        CYS  16  -4.325   5.802  -1.115
  108    HA   CYS  16           HA       CYS  16  -4.283   8.379  -2.502
  109   1HB   CYS  16          1HB       CYS  16  -4.706   7.278   0.154
  110   2HB   CYS  16          2HB       CYS  16  -3.720   8.738   0.205
  111    HA   PRO  17           HA       PRO  17   0.028   9.211  -2.738
  112   1HB   PRO  17          1HB       PRO  17  -0.177  11.813  -1.525
  113   2HB   PRO  17          2HB       PRO  17  -0.077  11.424  -3.248
  114   1HG   PRO  17          1HG       PRO  17  -2.348  12.394  -1.798
  115   2HG   PRO  17          2HG       PRO  17  -2.260  11.963  -3.509
  116   1HD   PRO  17          1HD       PRO  17  -3.601  10.536  -1.385
  117   2HD   PRO  17          2HD       PRO  17  -3.532  10.117  -3.113
  118    H    HIS  18           H        HIS  18  -1.595   9.137   0.262
  119    HA   HIS  18           HA       HIS  18   0.771   9.806   1.875
  120   1HB   HIS  18          1HB       HIS  18  -2.057   9.716   2.124
  121   2HB   HIS  18          2HB       HIS  18  -1.371   8.676   3.377
  122    HD1  HIS  18           1HD      HIS  18  -0.219  12.257   2.040
  123    HD2  HIS  18           2HD      HIS  18  -1.018  10.008   5.461
  124    HE1  HIS  18           1HE      HIS  18  -0.243  12.281   6.266
  125    HE2  HIS  18           2HE      HIS  18  -0.248  12.282   6.267
  126    H    LEU  19           H        LEU  19   0.387   7.275   0.047
  127    HA   LEU  19           HA       LEU  19   1.510   5.376   2.063
  128   1HB   LEU  19          1HB       LEU  19  -0.692   4.785   0.061
  129   2HB   LEU  19          2HB       LEU  19   0.017   3.625   1.186
  130    HG   LEU  19           HG       LEU  19  -0.719   5.717   2.840
  131   1HD1  LEU  19          1HD1      LEU  19  -1.981   6.404   0.582
  132   2HD1  LEU  19          2HD1      LEU  19  -3.156   5.234   1.183
  133   3HD1  LEU  19          3HD1      LEU  19  -2.728   6.636   2.164
  134   1HD2  LEU  19          1HD2      LEU  19  -1.816   4.012   3.863
  135   2HD2  LEU  19          2HD2      LEU  19  -1.200   3.002   2.556
  136   3HD2  LEU  19          3HD2      LEU  19  -2.816   3.700   2.446
  137    H    ALA  20           H        ALA  20   1.864   3.204   0.491
  138    HA   ALA  20           HA       ALA  20   3.256   4.100  -1.996
  139   1HB   ALA  20          1HB       ALA  20   4.406   2.255   0.123
  140   2HB   ALA  20          2HB       ALA  20   5.240   2.879  -1.299
  141   3HB   ALA  20          3HB       ALA  20   4.792   3.972   0.010
  142    H    CYS  21           H        CYS  21   3.536   2.279  -3.523
  143    HA   CYS  21           HA       CYS  21   1.488   0.156  -3.060
  144   1HB   CYS  21          1HB       CYS  21   1.679   1.871  -5.064
  145   2HB   CYS  21          2HB       CYS  21   2.880   0.729  -5.665
  146    H    LYS  22           H        LYS  22   3.131  -0.968  -1.638
  147    HA   LYS  22           HA       LYS  22   4.693  -2.899  -3.241
  148   1HB   LYS  22          1HB       LYS  22   6.714  -2.330  -1.727
  149   2HB   LYS  22          2HB       LYS  22   6.332  -1.185  -3.013
  150   1HG   LYS  22          1HG       LYS  22   5.532   0.411  -1.548
  151   2HG   LYS  22          2HG       LYS  22   5.008  -0.786  -0.364
  152   1HD   LYS  22          1HD       LYS  22   7.082  -0.923   0.623
  153   2HD   LYS  22          2HD       LYS  22   7.937  -0.595  -0.885
  154   1HE   LYS  22          1HE       LYS  22   7.904   1.673  -0.552
  155   2HE   LYS  22          2HE       LYS  22   6.272   1.642   0.145
  156   1HZ   LYS  22          1HZ       LYS  22   7.050   1.182   2.203
  157   2HZ   LYS  22          2HZ       LYS  22   8.451   1.953   1.627
  158   3HZ   LYS  22          3HZ       LYS  22   8.354   0.256   1.637
  159    H    SER  23           H        SER  23   4.554  -4.892  -2.218
  160    HA   SER  23           HA       SER  23   4.158  -4.958   0.730
  161   1HB   SER  23          1HB       SER  23   2.313  -6.777  -0.155
  162   2HB   SER  23          2HB       SER  23   1.936  -5.114   0.287
  163    HG   SER  23           HG       SER  23   1.802  -6.304  -2.110
  164    H    LYS  24           H        LYS  24   4.568  -7.070   1.646
  165    HA   LYS  24           HA       LYS  24   6.099  -8.918  -0.158
  166   1HB   LYS  24          1HB       LYS  24   7.298  -9.398   2.116
  167   2HB   LYS  24          2HB       LYS  24   7.677  -7.895   1.275
  168   1HG   LYS  24          1HG       LYS  24   6.535  -6.590   2.800
  169   2HG   LYS  24          2HG       LYS  24   5.384  -7.868   3.191
  170   1HD   LYS  24          1HD       LYS  24   8.307  -7.943   3.989
  171   2HD   LYS  24          2HD       LYS  24   7.022  -7.353   5.042
  172   1HE   LYS  24          1HE       LYS  24   6.517  -9.475   5.642
  173   2HE   LYS  24          2HE       LYS  24   6.245  -9.907   3.942
  174   1HZ   LYS  24          1HZ       LYS  24   8.688 -10.122   5.544
  175   2HZ   LYS  24          2HZ       LYS  24   8.857  -9.730   3.900
  176   3HZ   LYS  24          3HZ       LYS  24   8.081 -11.170   4.356
  177    H    TRP  25           H        TRP  25   3.317  -9.196   0.229
  178    HA   TRP  25           HA       TRP  25   2.992 -11.885   0.951
  179   1HB   TRP  25          1HB       TRP  25   3.596 -11.519   3.177
  180   2HB   TRP  25          2HB       TRP  25   2.867  -9.920   3.222
  181    HD1  TRP  25           HD       TRP  25   1.150 -10.225   5.138
  182    HE1  TRP  25           1HE      TRP  25  -0.899 -11.748   5.492
  183    HE3  TRP  25           3HE      TRP  25   1.732 -13.423   1.196
  184    HZ2  TRP  25           2HZ      TRP  25  -2.127 -14.022   4.268
  185    HZ3  TRP  25           3HZ      TRP  25   0.108 -15.257   0.816
  186    HH2  TRP  25           HH       TRP  25  -1.819 -15.560   2.346
  187    HA   PRO  26           HA       PRO  26  -1.359  -9.674   1.101
  188   1HB   PRO  26          1HB       PRO  26  -0.888  -6.968   0.239
  189   2HB   PRO  26          2HB       PRO  26  -1.579  -7.518   1.768
  190   1HG   PRO  26          1HG       PRO  26   1.044  -6.411   1.289
  191   2HG   PRO  26          2HG       PRO  26   0.311  -6.864   2.828
  192   1HD   PRO  26          1HD       PRO  26   2.439  -8.194   1.490
  193   2HD   PRO  26          2HD       PRO  26   1.571  -8.753   2.939
  194    H    ARG  27           H        ARG  27   1.308  -9.315  -1.017
  195    HA   ARG  27           HA       ARG  27   1.540  -9.641  -3.317
  196   1HB   ARG  27          1HB       ARG  27  -1.170 -10.720  -2.640
  197   2HB   ARG  27          2HB       ARG  27  -0.709 -10.598  -4.337
  198   1HG   ARG  27          1HG       ARG  27   1.507 -11.674  -2.884
  199   2HG   ARG  27          2HG       ARG  27   0.063 -12.585  -2.444
  200   1HD   ARG  27          1HD       ARG  27   1.160 -13.563  -4.447
  201   2HD   ARG  27          2HD       ARG  27  -0.446 -12.926  -4.855
  202    HE   ARG  27           HE       ARG  27   0.683 -10.889  -5.728
  203   1HH1  ARG  27          1HH1      ARG  27   3.124 -12.543  -4.220
  204   2HH1  ARG  27          2HH1      ARG  27   4.213 -12.559  -5.565
  205   1HH2  ARG  27          1HH2      ARG  27   1.864 -11.377  -7.824
  206   2HH2  ARG  27          2HH2      ARG  27   3.501 -11.899  -7.605
  207    H    ASN  28           H        ASN  28   1.792  -7.355  -3.659
  208    HA   ASN  28           HA       ASN  28   1.314  -5.372  -4.835
  209   1HB   ASN  28          1HB       ASN  28  -0.048  -7.564  -6.041
  210   2HB   ASN  28          2HB       ASN  28  -1.124  -6.167  -6.105
  211   1HD2  ASN  28          1HD2      ASN  28   1.018  -4.156  -6.228
  212   2HD2  ASN  28          2HD2      ASN  28   1.733  -4.295  -7.762
  213    H    ILE  29           H        ILE  29   0.739  -4.194  -2.876
  214    HA   ILE  29           HA       ILE  29  -2.094  -3.351  -2.889
  215    HB   ILE  29           HB       ILE  29  -2.462  -3.820  -0.583
  216   1HG1  ILE  29          1HG1      ILE  29  -0.508  -5.176   0.585
  217   2HG1  ILE  29          2HG1      ILE  29   0.502  -4.366  -0.612
  218   1HG2  ILE  29          1HG2      ILE  29  -1.063  -6.256  -1.736
  219   2HG2  ILE  29          2HG2      ILE  29  -2.658  -5.711  -2.257
  220   3HG2  ILE  29          3HG2      ILE  29  -2.407  -6.236  -0.594
  221   1HD1  ILE  29          1HD1      ILE  29  -0.160  -3.289   1.813
  222   2HD1  ILE  29          2HD1      ILE  29   0.280  -2.335   0.396
  223   3HD1  ILE  29          3HD1      ILE  29  -1.416  -2.605   0.787
  224    H    CYS  30           H        CYS  30  -2.196  -1.702  -0.833
  225    HA   CYS  30           HA       CYS  30   0.074   0.189  -1.274
  226   1HB   CYS  30          1HB       CYS  30  -1.951   1.065  -2.120
  227   2HB   CYS  30          2HB       CYS  30  -2.892   0.407  -0.784
  228    H    VAL  31           H        VAL  31   1.420   0.186   0.519
  229    HA   VAL  31           HA       VAL  31   0.153  -0.200   3.207
  230    HB   VAL  31           HB       VAL  31   2.590  -0.600   3.856
  231   1HG1  VAL  31          1HG1      VAL  31   0.786  -2.343   3.224
  232   2HG1  VAL  31          2HG1      VAL  31   2.471  -2.864   3.213
  233   3HG1  VAL  31          3HG1      VAL  31   1.655  -2.480   1.695
  234   1HG2  VAL  31          1HG2      VAL  31   3.221  -1.181   1.030
  235   2HG2  VAL  31          2HG2      VAL  31   4.242  -0.498   2.294
  236   3HG2  VAL  31          3HG2      VAL  31   3.107   0.533   1.426
  237    H    TRP  32           H        TRP  32  -0.060   1.578   4.428
  238    HA   TRP  32           HA       TRP  32   0.464   4.207   3.843
  239   1HB   TRP  32          1HB       TRP  32  -0.694   3.952   5.799
  240   2HB   TRP  32          2HB       TRP  32   0.186   2.479   6.217
  241    HD1  TRP  32           HD       TRP  32   1.985   2.669   7.996
  242    HE1  TRP  32           1HE      TRP  32   3.113   4.601   9.275
  243    HE3  TRP  32           3HE      TRP  32   0.071   6.639   5.433
  244    HZ2  TRP  32           2HZ      TRP  32   3.186   7.465   9.214
  245    HZ3  TRP  32           3HZ      TRP  32   0.681   8.959   6.060
  246    HH2  TRP  32           HH       TRP  32   2.236   9.375   7.946
  247    H    ASP  33           H        ASP  33   2.267   5.597   3.945
  248    HA   ASP  33           HA       ASP  33   4.917   4.364   3.836
  249   1HB   ASP  33          1HB       ASP  33   5.579   6.744   3.430
  250   2HB   ASP  33          2HB       ASP  33   4.255   6.224   2.384
  251    HD2  ASP  33           HD2      ASP  33   2.688   8.192   5.364
  252    H    GLY  34           H        GLY  34   6.485   6.329   5.090
  253   1HA   GLY  34          1HA       GLY  34   6.986   7.291   7.241
  254   2HA   GLY  34          2HA       GLY  34   5.612   6.420   7.922
  255    H    SER  35           H        SER  35   6.118   3.824   7.107
  256    HA   SER  35           HA       SER  35   8.424   3.138   8.826
  257   1HB   SER  35          1HB       SER  35   7.433   0.822   8.457
  258   2HB   SER  35          2HB       SER  35   6.340   1.991   9.195
  259    HG   SER  35           HG       SER  35   5.622   0.661   7.276
  260    H    VAL  36           H        VAL  36   9.832   4.129   6.947
  261    HA   VAL  36           HA       VAL  36  10.130   2.534   4.524
  262    HB   VAL  36           HB       VAL  36  10.612   4.953   4.681
  263   1HG1  VAL  36          1HG1      VAL  36  11.439   5.324   6.842
  264   2HG1  VAL  36          2HG1      VAL  36  12.900   5.449   5.862
  265   3HG1  VAL  36          3HG1      VAL  36  12.559   3.967   6.752
  266   1HG2  VAL  36          1HG2      VAL  36  12.034   3.108   3.295
  267   2HG2  VAL  36          2HG2      VAL  36  13.330   3.834   4.243
  268   3HG2  VAL  36          3HG2      VAL  36  12.344   4.839   3.182
  Start of MODEL   18
    1   1H    ASP   1          1HT       ASP   1 -12.135   7.875  -6.152
    2   2H    ASP   1          2HT       ASP   1 -12.013   6.192  -6.355
    3   3H    ASP   1          3HT       ASP   1 -10.617   7.158  -6.403
    4    HA   ASP   1           HA       ASP   1 -11.442   7.824  -3.991
    5   1HB   ASP   1          1HB       ASP   1 -12.445   5.003  -4.498
    6   2HB   ASP   1          2HB       ASP   1 -12.558   5.893  -2.980
    7    HD2  ASP   1           HD2      ASP   1 -15.250   7.739  -4.115
    8    H    CYS   2           H        CYS   2  -9.667   7.441  -2.689
    9    HA   CYS   2           HA       CYS   2  -7.541   5.681  -3.728
   10   1HB   CYS   2          1HB       CYS   2  -6.160   6.987  -2.439
   11   2HB   CYS   2          2HB       CYS   2  -7.467   8.113  -2.754
   12    H    VAL   3           H        VAL   3  -6.282   4.667  -1.600
   13    HA   VAL   3           HA       VAL   3  -8.343   3.064  -0.126
   14    HB   VAL   3           HB       VAL   3  -5.709   2.029  -1.200
   15   1HG1  VAL   3          1HG1      VAL   3  -7.109  -0.126  -1.122
   16   2HG1  VAL   3          2HG1      VAL   3  -8.267   0.801  -0.167
   17   3HG1  VAL   3          3HG1      VAL   3  -6.625   0.562   0.427
   18   1HG2  VAL   3          1HG2      VAL   3  -6.602   2.362  -3.274
   19   2HG2  VAL   3          2HG2      VAL   3  -8.218   2.650  -2.629
   20   3HG2  VAL   3          3HG2      VAL   3  -7.643   0.999  -2.866
   21    H    ARG   4           H        ARG   4  -7.279   1.930   1.823
   22    HA   ARG   4           HA       ARG   4  -5.390   3.847   3.129
   23   1HB   ARG   4          1HB       ARG   4  -6.363   3.011   5.203
   24   2HB   ARG   4          2HB       ARG   4  -7.669   3.427   4.093
   25   1HG   ARG   4          1HG       ARG   4  -8.207   1.201   3.675
   26   2HG   ARG   4          2HG       ARG   4  -6.591   0.625   4.088
   27   1HD   ARG   4          1HD       ARG   4  -7.511   1.809   6.454
   28   2HD   ARG   4          2HD       ARG   4  -8.915   0.930   5.820
   29    HE   ARG   4           HE       ARG   4  -6.346  -0.522   5.732
   30   1HH1  ARG   4          1HH2      ARG   4  -9.424  -1.320   5.892
   31   2HH1  ARG   4          2HH2      ARG   4  -9.396  -2.176   7.398
   32   1HH2  ARG   4          1HH1      ARG   4  -6.254  -1.017   8.298
   33   2HH2  ARG   4          2HH1      ARG   4  -7.601  -2.005   8.760
   34    H    PHE   5           H        PHE   5  -4.346   2.339   5.117
   35    HA   PHE   5           HA       PHE   5  -2.130   1.032   4.144
   36   1HB   PHE   5          1HB       PHE   5  -3.229   1.551   6.569
   37   2HB   PHE   5          2HB       PHE   5  -3.432  -0.199   6.511
   38    HD1  PHE   5           1HD      PHE   5  -1.475   1.754   8.173
   39    HD2  PHE   5           2HD      PHE   5  -1.032  -0.888   4.816
   40    HE1  PHE   5           1HE      PHE   5   0.924   1.451   8.728
   41    HE2  PHE   5           2HE      PHE   5   1.364  -1.189   5.370
   42    HZ   PHE   5           HZ       PHE   5   2.344  -0.020   7.324
   43    H    TRP   6           H        TRP   6  -1.742  -0.883   3.100
   44    HA   TRP   6           HA       TRP   6  -2.107  -3.025   2.178
   45   1HB   TRP   6          1HB       TRP   6  -4.130  -3.192   4.431
   46   2HB   TRP   6          2HB       TRP   6  -3.310  -4.540   3.640
   47    HD1  TRP   6           HD       TRP   6  -3.003  -2.298   6.531
   48    HE1  TRP   6           1HE      TRP   6  -0.644  -2.444   7.565
   49    HE3  TRP   6           3HE      TRP   6  -0.565  -4.838   2.832
   50    HZ2  TRP   6           2HZ      TRP   6   1.928  -3.498   6.918
   51    HZ3  TRP   6           3HZ      TRP   6   1.838  -5.400   3.066
   52    HH2  TRP   6           HH       TRP   6   3.085  -4.733   5.104
   53    H    GLY   7           H        GLY   7  -3.115  -1.582   0.446
   54   1HA   GLY   7          1HA       GLY   7  -5.914  -2.501  -0.002
   55   2HA   GLY   7          2HA       GLY   7  -5.476  -0.816  -0.305
   56    H    LYS   8           H        LYS   8  -6.018  -3.576  -1.903
   57    HA   LYS   8           HA       LYS   8  -4.043  -4.332  -3.605
   58   1HB   LYS   8          1HB       LYS   8  -5.898  -4.254  -5.407
   59   2HB   LYS   8          2HB       LYS   8  -6.248  -5.154  -3.931
   60   1HG   LYS   8          1HG       LYS   8  -7.648  -3.471  -3.084
   61   2HG   LYS   8          2HG       LYS   8  -6.953  -2.235  -4.132
   62   1HD   LYS   8          1HD       LYS   8  -7.941  -4.143  -5.909
   63   2HD   LYS   8          2HD       LYS   8  -9.173  -4.057  -4.648
   64   1HE   LYS   8          1HE       LYS   8  -8.763  -1.425  -4.944
   65   2HE   LYS   8          2HE       LYS   8  -8.287  -1.946  -6.572
   66   1HZ   LYS   8          1HZ       LYS   8 -10.511  -1.928  -6.903
   67   2HZ   LYS   8          2HZ       LYS   8 -10.880  -2.120  -5.255
   68   3HZ   LYS   8          3HZ       LYS   8 -10.426  -3.464  -6.191
   69    H    CYS   9           H        CYS   9  -2.546  -3.250  -4.770
   70    HA   CYS   9           HA       CYS   9  -3.265  -0.763  -6.215
   71   1HB   CYS   9          1HB       CYS   9  -2.576   0.099  -4.106
   72   2HB   CYS   9          2HB       CYS   9  -1.299  -1.104  -3.945
   73    H    SER  10           H        SER  10  -1.874  -0.433  -8.032
   74    HA   SER  10           HA       SER  10   0.560  -2.054  -8.356
   75   1HB   SER  10          1HB       SER  10  -0.772  -2.839 -10.612
   76   2HB   SER  10          2HB       SER  10  -0.688  -3.798  -9.136
   77    HG   SER  10           HG       SER  10  -2.674  -3.102  -8.566
   78    H    GLN  11           H        GLN  11  -1.894  -0.387 -10.376
   79    HA   GLN  11           HA       GLN  11   0.256   1.463 -11.323
   80   1HB   GLN  11          1HB       GLN  11  -0.502   1.065 -13.628
   81   2HB   GLN  11          2HB       GLN  11  -0.034  -0.463 -12.878
   82   1HG   GLN  11          1HG       GLN  11  -2.394  -0.936 -12.350
   83   2HG   GLN  11          2HG       GLN  11  -2.869   0.592 -13.094
   84   1HE2  GLN  11          1HE2      GLN  11  -1.314  -2.553 -13.849
   85   2HE2  GLN  11          2HE2      GLN  11  -1.721  -2.532 -15.496
   86    H    THR  12           H        THR  12  -1.116   3.062 -12.993
   87    HA   THR  12           HA       THR  12  -2.700   4.819 -13.051
   88    HB   THR  12           HB       THR  12  -4.462   2.949 -11.465
   89    HG1  THR  12           1HG      THR  12  -4.885   2.217 -13.790
   90   1HG2  THR  12          1HG2      THR  12  -5.323   4.355 -13.938
   91   2HG2  THR  12          2HG2      THR  12  -4.986   5.368 -12.533
   92   3HG2  THR  12          3HG2      THR  12  -6.198   4.091 -12.429
   93    H    SER  13           H        SER  13  -0.941   4.208 -10.540
   94    HA   SER  13           HA       SER  13  -0.648   5.176  -8.401
   95   1HB   SER  13          1HB       SER  13  -0.751   7.223  -9.651
   96   2HB   SER  13          2HB       SER  13  -2.494   7.087  -9.852
   97    HG   SER  13           HG       SER  13  -2.735   7.993  -7.977
   98    H    ASP  14           H        ASP  14  -2.136   3.100  -7.909
   99    HA   ASP  14           HA       ASP  14  -4.880   3.631  -7.109
  100   1HB   ASP  14          1HB       ASP  14  -2.881   1.402  -6.702
  101   2HB   ASP  14          2HB       ASP  14  -4.503   1.331  -6.014
  102    HD2  ASP  14           HD2      ASP  14  -5.188  -0.086  -9.124
  103    H    CYS  15           H        CYS  15  -5.236   2.638  -4.662
  104    HA   CYS  15           HA       CYS  15  -5.314   3.369  -2.435
  105   1HB   CYS  15          1HB       CYS  15  -3.350   2.765  -1.324
  106   2HB   CYS  15          2HB       CYS  15  -3.217   1.886  -2.840
  107    H    CYS  16           H        CYS  16  -4.271   5.041  -0.831
  108    HA   CYS  16           HA       CYS  16  -4.613   7.684  -2.027
  109   1HB   CYS  16          1HB       CYS  16  -4.811   6.369   0.480
  110   2HB   CYS  16          2HB       CYS  16  -3.692   7.709   0.655
  111    HA   PRO  17           HA       PRO  17  -0.423   8.784  -2.798
  112   1HB   PRO  17          1HB       PRO  17  -0.764  11.419  -1.687
  113   2HB   PRO  17          2HB       PRO  17  -0.768  10.952  -3.395
  114   1HG   PRO  17          1HG       PRO  17  -2.997  11.781  -1.791
  115   2HG   PRO  17          2HG       PRO  17  -3.005  11.298  -3.489
  116   1HD   PRO  17          1HD       PRO  17  -4.058   9.839  -1.238
  117   2HD   PRO  17          2HD       PRO  17  -4.043   9.344  -2.948
  118    H    HIS  18           H        HIS  18  -1.837   8.850   0.330
  119    HA   HIS  18           HA       HIS  18   0.574   9.735   1.736
  120   1HB   HIS  18          1HB       HIS  18  -2.206   9.372   2.198
  121   2HB   HIS  18          2HB       HIS  18  -1.327   8.467   3.430
  122    HD1  HIS  18           1HD      HIS  18  -0.542  12.049   1.868
  123    HD2  HIS  18           2HD      HIS  18  -1.083   9.953   5.435
  124    HE1  HIS  18           1HE      HIS  18  -0.468  12.324   6.086
  125    HE2  HIS  18           2HE      HIS  18  -0.469  12.324   6.087
  126    H    LEU  19           H        LEU  19  -0.095   6.950   0.134
  127    HA   LEU  19           HA       LEU  19   1.509   5.308   2.065
  128   1HB   LEU  19          1HB       LEU  19  -0.778   4.441   0.263
  129   2HB   LEU  19          2HB       LEU  19   0.109   3.401   1.379
  130    HG   LEU  19           HG       LEU  19  -0.642   5.427   3.048
  131   1HD1  LEU  19          1HD1      LEU  19  -2.959   5.999   2.577
  132   2HD1  LEU  19          2HD1      LEU  19  -1.972   6.449   1.186
  133   3HD1  LEU  19          3HD1      LEU  19  -2.950   4.982   1.134
  134   1HD2  LEU  19          1HD2      LEU  19  -1.569   3.654   4.098
  135   2HD2  LEU  19          2HD2      LEU  19  -1.181   2.700   2.667
  136   3HD2  LEU  19          3HD2      LEU  19  -2.766   3.455   2.820
  137    H    ALA  20           H        ALA  20   2.024   3.144   0.554
  138    HA   ALA  20           HA       ALA  20   3.112   4.101  -2.062
  139   1HB   ALA  20          1HB       ALA  20   4.970   4.284  -0.598
  140   2HB   ALA  20          2HB       ALA  20   4.515   2.832   0.294
  141   3HB   ALA  20          3HB       ALA  20   5.180   2.695  -1.335
  142    H    CYS  21           H        CYS  21   3.432   2.303  -3.579
  143    HA   CYS  21           HA       CYS  21   1.552   0.089  -3.100
  144   1HB   CYS  21          1HB       CYS  21   2.120   1.633  -5.211
  145   2HB   CYS  21          2HB       CYS  21   3.277   0.345  -5.525
  146    H    LYS  22           H        LYS  22   3.237  -0.619  -1.283
  147    HA   LYS  22           HA       LYS  22   4.949  -2.736  -2.505
  148   1HB   LYS  22          1HB       LYS  22   5.908  -0.951  -0.260
  149   2HB   LYS  22          2HB       LYS  22   6.868  -2.017  -1.285
  150   1HG   LYS  22          1HG       LYS  22   5.866  -0.456  -3.206
  151   2HG   LYS  22          2HG       LYS  22   5.767   0.695  -1.876
  152   1HD   LYS  22          1HD       LYS  22   8.279  -0.857  -2.553
  153   2HD   LYS  22          2HD       LYS  22   7.945   0.763  -3.167
  154   1HE   LYS  22          1HE       LYS  22   8.442   1.744  -1.169
  155   2HE   LYS  22          2HE       LYS  22   7.593   0.489  -0.244
  156   1HZ   LYS  22          1HZ       LYS  22   9.934   0.255   0.146
  157   2HZ   LYS  22          2HZ       LYS  22  10.266   0.256  -1.520
  158   3HZ   LYS  22          3HZ       LYS  22   9.428  -1.044  -0.820
  159    H    SER  23           H        SER  23   4.344  -4.638  -1.511
  160    HA   SER  23           HA       SER  23   3.300  -4.487   1.295
  161   1HB   SER  23          1HB       SER  23   2.515  -6.897   0.279
  162   2HB   SER  23          2HB       SER  23   1.553  -5.430   0.190
  163    HG   SER  23           HG       SER  23   2.448  -5.037  -1.849
  164    H    LYS  24           H        LYS  24   3.747  -6.525   2.579
  165    HA   LYS  24           HA       LYS  24   6.452  -7.647   1.917
  166   1HB   LYS  24          1HB       LYS  24   6.605  -7.857   4.448
  167   2HB   LYS  24          2HB       LYS  24   6.531  -6.199   3.853
  168   1HG   LYS  24          1HG       LYS  24   4.580  -5.815   4.912
  169   2HG   LYS  24          2HG       LYS  24   3.870  -7.303   4.280
  170   1HD   LYS  24          1HD       LYS  24   5.895  -7.896   6.271
  171   2HD   LYS  24          2HD       LYS  24   4.665  -6.818   6.932
  172   1HE   LYS  24          1HE       LYS  24   2.891  -8.373   6.143
  173   2HE   LYS  24          2HE       LYS  24   4.146  -9.474   5.543
  174   1HZ   LYS  24          1HZ       LYS  24   3.966  -8.486   8.340
  175   2HZ   LYS  24          2HZ       LYS  24   5.076  -9.622   7.737
  176   3HZ   LYS  24          3HZ       LYS  24   3.423 -10.010   7.828
  177    H    TRP  25           H        TRP  25   3.786  -8.663   1.117
  178    HA   TRP  25           HA       TRP  25   4.118 -11.436   1.634
  179   1HB   TRP  25          1HB       TRP  25   3.536 -11.218   3.867
  180   2HB   TRP  25          2HB       TRP  25   2.488  -9.837   3.573
  181    HD1  TRP  25           HD       TRP  25   0.134 -10.550   4.254
  182    HE1  TRP  25           1HE      TRP  25  -1.375 -12.588   3.798
  183    HE3  TRP  25           3HE      TRP  25   3.401 -13.517   1.683
  184    HZ2  TRP  25           2HZ      TRP  25  -1.223 -15.139   2.515
  185    HZ3  TRP  25           3HZ      TRP  25   2.694 -15.743   0.857
  186    HH2  TRP  25           HH       TRP  25   0.388 -16.559   1.269
  187    HA   PRO  26           HA       PRO  26  -0.342 -10.659  -0.219
  188   1HB   PRO  26          1HB       PRO  26  -0.516  -7.828  -0.678
  189   2HB   PRO  26          2HB       PRO  26  -1.541  -8.819   0.366
  190   1HG   PRO  26          1HG       PRO  26   0.535  -6.938   1.126
  191   2HG   PRO  26          2HG       PRO  26  -0.608  -7.799   2.162
  192   1HD   PRO  26          1HD       PRO  26   2.176  -8.278   1.974
  193   2HD   PRO  26          2HD       PRO  26   0.976  -9.314   2.788
  194    H    ARG  27           H        ARG  27   2.087  -8.173  -0.964
  195    HA   ARG  27           HA       ARG  27   3.315  -7.747  -2.927
  196   1HB   ARG  27          1HB       ARG  27   2.281 -10.455  -3.794
  197   2HB   ARG  27          2HB       ARG  27   3.802  -9.686  -4.246
  198   1HG   ARG  27          1HG       ARG  27   3.366 -10.071  -1.333
  199   2HG   ARG  27          2HG       ARG  27   3.612 -11.535  -2.277
  200   1HD   ARG  27          1HD       ARG  27   5.767 -10.583  -1.427
  201   2HD   ARG  27          2HD       ARG  27   5.708 -10.593  -3.201
  202    HE   ARG  27           HE       ARG  27   4.777  -8.158  -1.764
  203   1HH1  ARG  27          1HH1      ARG  27   7.574  -9.613  -2.986
  204   2HH1  ARG  27          2HH1      ARG  27   8.056  -8.258  -3.950
  205   1HH2  ARG  27          1HH2      ARG  27   5.143  -6.468  -3.370
  206   2HH2  ARG  27          2HH2      ARG  27   6.680  -6.477  -4.167
  207    H    ASN  28           H        ASN  28   0.830  -6.588  -2.833
  208    HA   ASN  28           HA       ASN  28   0.229  -6.015  -5.553
  209   1HB   ASN  28          1HB       ASN  28  -0.611  -8.544  -4.846
  210   2HB   ASN  28          2HB       ASN  28  -2.061  -7.587  -4.549
  211   1HD2  ASN  28          1HD2      ASN  28   0.468  -7.999  -7.094
  212   2HD2  ASN  28          2HD2      ASN  28  -0.600  -7.768  -8.392
  213    H    ILE  29           H        ILE  29   0.397  -4.742  -2.857
  214    HA   ILE  29           HA       ILE  29  -2.235  -3.328  -2.956
  215    HB   ILE  29           HB       ILE  29  -2.563  -3.598  -0.626
  216   1HG1  ILE  29          1HG1      ILE  29  -0.698  -5.097   0.562
  217   2HG1  ILE  29          2HG1      ILE  29   0.325  -4.443  -0.715
  218   1HG2  ILE  29          1HG2      ILE  29  -3.009  -5.894  -0.562
  219   2HG2  ILE  29          2HG2      ILE  29  -1.454  -6.321  -1.278
  220   3HG2  ILE  29          3HG2      ILE  29  -2.747  -5.683  -2.293
  221   1HD1  ILE  29          1HD1      ILE  29  -1.342  -2.413   0.595
  222   2HD1  ILE  29          2HD1      ILE  29  -0.196  -3.196   1.684
  223   3HD1  ILE  29          3HD1      ILE  29   0.383  -2.389   0.227
  224    H    CYS  30           H        CYS  30  -1.954  -1.581  -0.971
  225    HA   CYS  30           HA       CYS  30   0.608  -0.130  -1.513
  226   1HB   CYS  30          1HB       CYS  30  -1.790   0.540  -2.446
  227   2HB   CYS  30          2HB       CYS  30  -1.974   1.219  -0.830
  228    H    VAL  31           H        VAL  31   1.767  -0.213   0.422
  229    HA   VAL  31           HA       VAL  31   0.274  -0.260   2.997
  230    HB   VAL  31           HB       VAL  31   2.462  -0.865   3.922
  231   1HG1  VAL  31          1HG1      VAL  31   2.823  -2.950   2.671
  232   2HG1  VAL  31          2HG1      VAL  31   1.872  -2.314   1.331
  233   3HG1  VAL  31          3HG1      VAL  31   1.101  -2.633   2.883
  234   1HG2  VAL  31          1HG2      VAL  31   3.469  -0.369   1.106
  235   2HG2  VAL  31          2HG2      VAL  31   4.418  -1.061   2.419
  236   3HG2  VAL  31          3HG2      VAL  31   3.848   0.603   2.527
  237    H    TRP  32           H        TRP  32   0.136   1.503   4.285
  238    HA   TRP  32           HA       TRP  32   0.614   4.131   3.667
  239   1HB   TRP  32          1HB       TRP  32  -0.454   3.910   5.678
  240   2HB   TRP  32          2HB       TRP  32   0.431   2.442   6.079
  241    HD1  TRP  32           HD       TRP  32   2.618   2.660   7.492
  242    HE1  TRP  32           1HE      TRP  32   3.678   4.602   8.811
  243    HE3  TRP  32           3HE      TRP  32  -0.128   6.561   5.672
  244    HZ2  TRP  32           2HZ      TRP  32   3.398   7.440   9.062
  245    HZ3  TRP  32           3HZ      TRP  32   0.289   8.872   6.468
  246    HH2  TRP  32           HH       TRP  32   2.048   9.315   8.158
  247    H    ASP  33           H        ASP  33   2.391   5.551   3.688
  248    HA   ASP  33           HA       ASP  33   5.076   4.287   3.717
  249   1HB   ASP  33          1HB       ASP  33   3.825   6.095   2.094
  250   2HB   ASP  33          2HB       ASP  33   4.724   7.177   3.161
  251    HD2  ASP  33           HD2      ASP  33   7.405   6.525   1.102
  252    H    GLY  34           H        GLY  34   6.378   6.852   4.357
  253   1HA   GLY  34          1HA       GLY  34   6.360   8.375   6.351
  254   2HA   GLY  34          2HA       GLY  34   5.774   6.997   7.286
  255    H    SER  35           H        SER  35   7.402   4.952   6.582
  256    HA   SER  35           HA       SER  35   9.974   5.766   7.773
  257   1HB   SER  35          1HB       SER  35  10.273   3.378   8.008
  258   2HB   SER  35          2HB       SER  35   8.590   3.733   8.387
  259    HG   SER  35           HG       SER  35   8.436   3.358   5.916
  260    H    VAL  36           H        VAL  36  10.361   7.082   5.632
  261    HA   VAL  36           HA       VAL  36  11.479   5.302   3.499
  262    HB   VAL  36           HB       VAL  36   9.713   6.908   2.862
  263   1HG1  VAL  36          1HG1      VAL  36  11.138   8.590   4.672
  264   2HG1  VAL  36          2HG1      VAL  36   9.632   8.942   3.823
  265   3HG1  VAL  36          3HG1      VAL  36  11.180   9.359   3.085
  266   1HG2  VAL  36          1HG2      VAL  36  11.801   6.389   1.403
  267   2HG2  VAL  36          2HG2      VAL  36  12.320   8.021   1.826
  268   3HG2  VAL  36          3HG2      VAL  36  10.806   7.775   0.955
  Start of MODEL   19
    1   1H    ASP   1          1HT       ASP   1 -10.385   4.955  -7.020
    2   2H    ASP   1          2HT       ASP   1  -9.416   6.337  -7.217
    3   3H    ASP   1          3HT       ASP   1 -11.097   6.433  -7.455
    4    HA   ASP   1           HA       ASP   1 -10.762   7.367  -5.338
    5   1HB   ASP   1          1HB       ASP   1 -12.221   5.069  -5.861
    6   2HB   ASP   1          2HB       ASP   1 -11.347   4.652  -4.386
    7    HD2  ASP   1           HD2      ASP   1 -14.413   6.693  -3.758
    8    H    CYS   2           H        CYS   2  -9.755   7.194  -3.185
    9    HA   CYS   2           HA       CYS   2  -7.029   6.107  -3.335
   10   1HB   CYS   2          1HB       CYS   2  -6.865   8.087  -2.227
   11   2HB   CYS   2          2HB       CYS   2  -8.582   8.103  -1.853
   12    H    VAL   3           H        VAL   3  -6.225   4.952  -1.282
   13    HA   VAL   3           HA       VAL   3  -8.265   3.098  -0.141
   14    HB   VAL   3           HB       VAL   3  -5.627   2.296  -1.409
   15   1HG1  VAL   3          1HG1      VAL   3  -6.213   0.659   0.195
   16   2HG1  VAL   3          2HG1      VAL   3  -6.848   0.019  -1.321
   17   3HG1  VAL   3          3HG1      VAL   3  -7.934   0.797  -0.168
   18   1HG2  VAL   3          1HG2      VAL   3  -8.463   2.080  -2.473
   19   2HG2  VAL   3          2HG2      VAL   3  -7.035   1.379  -3.237
   20   3HG2  VAL   3          3HG2      VAL   3  -7.197   3.131  -3.111
   21    H    ARG   4           H        ARG   4  -7.385   1.980   1.817
   22    HA   ARG   4           HA       ARG   4  -5.430   3.735   3.228
   23   1HB   ARG   4          1HB       ARG   4  -6.445   2.748   5.231
   24   2HB   ARG   4          2HB       ARG   4  -7.708   3.323   4.143
   25   1HG   ARG   4          1HG       ARG   4  -8.591   1.255   4.136
   26   2HG   ARG   4          2HG       ARG   4  -7.122   0.666   3.356
   27   1HD   ARG   4          1HD       ARG   4  -6.669  -0.515   5.235
   28   2HD   ARG   4          2HD       ARG   4  -6.494   1.018   6.109
   29    HE   ARG   4           HE       ARG   4  -9.282   0.416   5.743
   30   1HH1  ARG   4          1HH2      ARG   4  -8.233   1.425   8.311
   31   2HH1  ARG   4          2HH2      ARG   4  -8.337   0.037   9.345
   32   1HH2  ARG   4          1HH1      ARG   4  -8.670  -2.216   6.731
   33   2HH2  ARG   4          2HH1      ARG   4  -8.584  -2.022   8.451
   34    H    PHE   5           H        PHE   5  -4.382   2.196   5.115
   35    HA   PHE   5           HA       PHE   5  -2.179   0.881   4.149
   36   1HB   PHE   5          1HB       PHE   5  -3.356   1.345   6.562
   37   2HB   PHE   5          2HB       PHE   5  -3.502  -0.408   6.463
   38    HD1  PHE   5           1HD      PHE   5  -1.697   1.441   8.296
   39    HD2  PHE   5           2HD      PHE   5  -0.991  -0.854   4.738
   40    HE1  PHE   5           1HE      PHE   5   0.691   1.212   8.919
   41    HE2  PHE   5           2HE      PHE   5   1.397  -1.083   5.358
   42    HZ   PHE   5           HZ       PHE   5   2.238  -0.050   7.450
   43    H    TRP   6           H        TRP   6  -1.780  -1.030   3.085
   44    HA   TRP   6           HA       TRP   6  -2.143  -3.161   2.133
   45   1HB   TRP   6          1HB       TRP   6  -4.234  -3.401   4.312
   46   2HB   TRP   6          2HB       TRP   6  -3.279  -4.697   3.585
   47    HD1  TRP   6           HD       TRP   6  -3.275  -2.290   6.406
   48    HE1  TRP   6           1HE      TRP   6  -1.008  -2.342   7.632
   49    HE3  TRP   6           3HE      TRP   6  -0.519  -5.009   3.073
   50    HZ2  TRP   6           2HZ      TRP   6   1.619  -3.398   7.259
   51    HZ3  TRP   6           3HZ      TRP   6   1.862  -5.521   3.533
   52    HH2  TRP   6           HH       TRP   6   2.932  -4.720   5.620
   53    H    GLY   7           H        GLY   7  -3.114  -1.805   0.365
   54   1HA   GLY   7          1HA       GLY   7  -5.943  -2.639  -0.050
   55   2HA   GLY   7          2HA       GLY   7  -5.443  -0.984  -0.422
   56    H    LYS   8           H        LYS   8  -5.922  -3.945  -1.800
   57    HA   LYS   8           HA       LYS   8  -3.925  -4.677  -3.495
   58   1HB   LYS   8          1HB       LYS   8  -5.842  -4.891  -5.237
   59   2HB   LYS   8          2HB       LYS   8  -6.040  -5.723  -3.693
   60   1HG   LYS   8          1HG       LYS   8  -7.758  -4.379  -3.051
   61   2HG   LYS   8          2HG       LYS   8  -6.986  -2.931  -3.694
   62   1HD   LYS   8          1HD       LYS   8  -7.573  -4.313  -5.993
   63   2HD   LYS   8          2HD       LYS   8  -8.942  -4.730  -4.961
   64   1HE   LYS   8          1HE       LYS   8  -9.282  -2.291  -4.490
   65   2HE   LYS   8          2HE       LYS   8  -7.996  -1.926  -5.658
   66   1HZ   LYS   8          1HZ       LYS   8 -10.076  -3.803  -6.485
   67   2HZ   LYS   8          2HZ       LYS   8  -9.233  -2.647  -7.402
   68   3HZ   LYS   8          3HZ       LYS   8 -10.513  -2.166  -6.396
   69    H    CYS   9           H        CYS   9  -2.546  -3.538  -4.751
   70    HA   CYS   9           HA       CYS   9  -3.546  -1.251  -6.363
   71   1HB   CYS   9          1HB       CYS   9  -2.860  -0.098  -4.438
   72   2HB   CYS   9          2HB       CYS   9  -1.580  -1.252  -4.084
   73    H    SER  10           H        SER  10  -2.243  -0.906  -8.238
   74    HA   SER  10           HA       SER  10  -0.301  -3.092  -8.830
   75   1HB   SER  10          1HB       SER  10  -2.006  -1.184 -10.424
   76   2HB   SER  10          2HB       SER  10  -0.666  -2.033 -11.191
   77    HG   SER  10           HG       SER  10  -3.026  -3.044 -10.042
   78    H    GLN  11           H        GLN  11  -0.203  -0.076 -10.576
   79    HA   GLN  11           HA       GLN  11   2.621   0.291 -10.011
   80   1HB   GLN  11          1HB       GLN  11   0.438   1.851 -11.409
   81   2HB   GLN  11          2HB       GLN  11   2.087   2.470 -11.296
   82   1HG   GLN  11          1HG       GLN  11   2.728   1.151 -12.998
   83   2HG   GLN  11          2HG       GLN  11   2.190  -0.278 -12.117
   84   1HE2  GLN  11          1HE2      GLN  11   0.416   2.491 -13.617
   85   2HE2  GLN  11          2HE2      GLN  11  -0.639   1.513 -14.517
   86    H    THR  12           H        THR  12   2.712   3.139  -9.670
   87    HA   THR  12           HA       THR  12   2.300   3.310  -6.788
   88    HB   THR  12           HB       THR  12   3.039   5.472  -8.779
   89    HG1  THR  12           1HG      THR  12   4.909   4.549  -8.952
   90   1HG2  THR  12          1HG2      THR  12   3.540   5.081  -5.819
   91   2HG2  THR  12          2HG2      THR  12   2.569   6.344  -6.575
   92   3HG2  THR  12          3HG2      THR  12   4.319   6.330  -6.790
   93    H    SER  13           H        SER  13  -0.060   2.975  -6.821
   94    HA   SER  13           HA       SER  13  -1.537   5.427  -6.590
   95   1HB   SER  13          1HB       SER  13  -1.094   5.173  -9.090
   96   2HB   SER  13          2HB       SER  13  -2.119   3.747  -9.042
   97    HG   SER  13           HG       SER  13  -2.787   6.381  -9.046
   98    H    ASP  14           H        ASP  14  -3.957   3.884  -7.786
   99    HA   ASP  14           HA       ASP  14  -5.666   2.541  -6.853
  100   1HB   ASP  14          1HB       ASP  14  -3.065   1.090  -6.764
  101   2HB   ASP  14          2HB       ASP  14  -4.410   0.358  -5.886
  102    HD2  ASP  14           HD2      ASP  14  -5.140  -0.931  -9.032
  103    H    CYS  15           H        CYS  15  -4.198   4.536  -5.042
  104    HA   CYS  15           HA       CYS  15  -5.536   3.823  -2.580
  105   1HB   CYS  15          1HB       CYS  15  -3.519   3.380  -1.247
  106   2HB   CYS  15          2HB       CYS  15  -3.627   2.234  -2.583
  107    H    CYS  16           H        CYS  16  -4.311   5.358  -0.732
  108    HA   CYS  16           HA       CYS  16  -4.632   8.069  -1.766
  109   1HB   CYS  16          1HB       CYS  16  -4.425   6.642   0.778
  110   2HB   CYS  16          2HB       CYS  16  -3.586   8.194   0.802
  111    HA   PRO  17           HA       PRO  17  -0.444   8.981  -2.820
  112   1HB   PRO  17          1HB       PRO  17  -0.607  11.629  -1.693
  113   2HB   PRO  17          2HB       PRO  17  -0.732  11.163  -3.396
  114   1HG   PRO  17          1HG       PRO  17  -2.827  12.085  -1.668
  115   2HG   PRO  17          2HG       PRO  17  -2.954  11.595  -3.362
  116   1HD   PRO  17          1HD       PRO  17  -3.924  10.187  -1.040
  117   2HD   PRO  17          2HD       PRO  17  -4.044   9.693  -2.744
  118    H    HIS  18           H        HIS  18  -1.665   9.058   0.380
  119    HA   HIS  18           HA       HIS  18   0.904   9.766   1.632
  120   1HB   HIS  18          1HB       HIS  18  -1.869   9.735   2.253
  121   2HB   HIS  18          2HB       HIS  18  -1.036   8.748   3.453
  122    HD1  HIS  18           1HD      HIS  18  -0.018  12.235   1.801
  123    HD2  HIS  18           2HD      HIS  18  -0.421  10.177   5.408
  124    HE1  HIS  18           1HE      HIS  18   0.476  12.473   5.992
  125    HE2  HIS  18           2HE      HIS  18   0.476  12.472   5.991
  126    H    LEU  19           H        LEU  19   0.116   7.131   0.026
  127    HA   LEU  19           HA       LEU  19   1.440   5.285   1.978
  128   1HB   LEU  19          1HB       LEU  19  -0.950   4.815   0.166
  129   2HB   LEU  19          2HB       LEU  19  -0.122   3.532   1.050
  130    HG   LEU  19           HG       LEU  19  -0.609   5.548   2.951
  131   1HD1  LEU  19          1HD1      LEU  19  -2.248   6.390   1.157
  132   2HD1  LEU  19          2HD1      LEU  19  -3.175   4.928   1.484
  133   3HD1  LEU  19          3HD1      LEU  19  -2.910   6.108   2.767
  134   1HD2  LEU  19          1HD2      LEU  19  -1.258   3.699   4.071
  135   2HD2  LEU  19          2HD2      LEU  19  -1.016   2.789   2.579
  136   3HD2  LEU  19          3HD2      LEU  19  -2.608   3.442   2.964
  137    H    ALA  20           H        ALA  20   1.917   3.126   0.460
  138    HA   ALA  20           HA       ALA  20   2.999   4.046  -2.166
  139   1HB   ALA  20          1HB       ALA  20   4.602   4.199  -0.105
  140   2HB   ALA  20          2HB       ALA  20   4.675   2.443  -0.246
  141   3HB   ALA  20          3HB       ALA  20   5.203   3.458  -1.588
  142    H    CYS  21           H        CYS  21   3.049   2.381  -3.710
  143    HA   CYS  21           HA       CYS  21   1.543  -0.054  -3.067
  144   1HB   CYS  21          1HB       CYS  21   1.644   1.547  -5.191
  145   2HB   CYS  21          2HB       CYS  21   2.954   0.468  -5.662
  146    H    LYS  22           H        LYS  22   2.833  -1.443  -1.814
  147    HA   LYS  22           HA       LYS  22   4.855  -3.012  -3.118
  148   1HB   LYS  22          1HB       LYS  22   6.745  -2.092  -1.607
  149   2HB   LYS  22          2HB       LYS  22   6.259  -1.092  -2.977
  150   1HG   LYS  22          1HG       LYS  22   5.015   0.383  -1.603
  151   2HG   LYS  22          2HG       LYS  22   5.002  -0.749  -0.254
  152   1HD   LYS  22          1HD       LYS  22   6.618   0.975   0.254
  153   2HD   LYS  22          2HD       LYS  22   7.505  -0.502  -0.118
  154   1HE   LYS  22          1HE       LYS  22   7.001   1.010  -2.549
  155   2HE   LYS  22          2HE       LYS  22   7.865   1.998  -1.351
  156   1HZ   LYS  22          1HZ       LYS  22   9.568   0.474  -1.181
  157   2HZ   LYS  22          2HZ       LYS  22   9.202   0.367  -2.837
  158   3HZ   LYS  22          3HZ       LYS  22   8.632  -0.817  -1.759
  159    H    SER  23           H        SER  23   4.050  -4.862  -2.107
  160    HA   SER  23           HA       SER  23   4.153  -4.895   0.889
  161   1HB   SER  23          1HB       SER  23   2.164  -6.617   0.381
  162   2HB   SER  23          2HB       SER  23   1.873  -4.887   0.550
  163    HG   SER  23           HG       SER  23   1.318  -6.361  -1.512
  164    H    LYS  24           H        LYS  24   3.858  -7.418   1.521
  165    HA   LYS  24           HA       LYS  24   5.420  -9.161  -0.319
  166   1HB   LYS  24          1HB       LYS  24   7.010  -9.650   1.506
  167   2HB   LYS  24          2HB       LYS  24   7.007  -7.926   1.138
  168   1HG   LYS  24          1HG       LYS  24   6.131  -7.367   3.158
  169   2HG   LYS  24          2HG       LYS  24   5.019  -8.737   3.158
  170   1HD   LYS  24          1HD       LYS  24   6.555  -9.170   4.930
  171   2HD   LYS  24          2HD       LYS  24   7.067 -10.209   3.601
  172   1HE   LYS  24          1HE       LYS  24   9.082  -9.182   3.500
  173   2HE   LYS  24          2HE       LYS  24   8.315  -7.583   3.410
  174   1HZ   LYS  24          1HZ       LYS  24   8.994  -9.168   5.810
  175   2HZ   LYS  24          2HZ       LYS  24   7.787  -7.973   5.867
  176   3HZ   LYS  24          3HZ       LYS  24   9.384  -7.554   5.464
  177    H    TRP  25           H        TRP  25   2.696  -9.365   0.290
  178    HA   TRP  25           HA       TRP  25   2.296 -12.024   1.006
  179   1HB   TRP  25          1HB       TRP  25   3.174 -11.729   3.170
  180   2HB   TRP  25          2HB       TRP  25   2.469 -10.129   3.344
  181    HD1  TRP  25           HD       TRP  25   0.731 -10.283   5.204
  182    HE1  TRP  25           1HE      TRP  25  -1.200 -11.886   5.793
  183    HE3  TRP  25           3HE      TRP  25   1.413 -13.843   1.608
  184    HZ2  TRP  25           2HZ      TRP  25  -2.307 -14.356   4.861
  185    HZ3  TRP  25           3HZ      TRP  25  -0.091 -15.809   1.480
  186    HH2  TRP  25           HH       TRP  25  -1.949 -16.068   3.102
  187    HA   PRO  26           HA       PRO  26  -1.867  -9.580   1.582
  188   1HB   PRO  26          1HB       PRO  26  -1.308  -6.907   0.671
  189   2HB   PRO  26          2HB       PRO  26  -1.903  -7.409   2.258
  190   1HG   PRO  26          1HG       PRO  26   0.731  -6.457   1.557
  191   2HG   PRO  26          2HG       PRO  26   0.103  -6.866   3.155
  192   1HD   PRO  26          1HD       PRO  26   2.033  -8.321   1.651
  193   2HD   PRO  26          2HD       PRO  26   1.261  -8.826   3.171
  194    H    ARG  27           H        ARG  27   0.698  -9.264  -0.687
  195    HA   ARG  27           HA       ARG  27   0.771  -9.802  -2.963
  196   1HB   ARG  27          1HB       ARG  27  -2.240  -9.935  -2.867
  197   2HB   ARG  27          2HB       ARG  27  -1.138 -10.810  -3.926
  198   1HG   ARG  27          1HG       ARG  27  -0.203 -11.656  -1.555
  199   2HG   ARG  27          2HG       ARG  27  -1.884 -11.367  -1.104
  200   1HD   ARG  27          1HD       ARG  27  -1.117 -12.972  -3.561
  201   2HD   ARG  27          2HD       ARG  27  -1.393 -13.718  -1.975
  202    HE   ARG  27           HE       ARG  27  -3.548 -11.913  -2.652
  203   1HH1  ARG  27          1HH2      ARG  27  -3.004 -15.021  -1.794
  204   2HH1  ARG  27          2HH2      ARG  27  -4.159 -15.748  -2.858
  205   1HH2  ARG  27          1HH1      ARG  27  -4.705 -12.848  -4.678
  206   2HH2  ARG  27          2HH1      ARG  27  -5.123 -14.519  -4.492
  207    H    ASN  28           H        ASN  28   1.500  -7.853  -3.688
  208    HA   ASN  28           HA       ASN  28   1.441  -5.620  -4.482
  209   1HB   ASN  28          1HB       ASN  28  -0.014  -5.571  -6.496
  210   2HB   ASN  28          2HB       ASN  28   0.892  -7.079  -6.370
  211   1HD2  ASN  28          1HD2      ASN  28  -2.322  -5.674  -6.299
  212   2HD2  ASN  28          2HD2      ASN  28  -3.169  -7.139  -6.157
  213    H    ILE  29           H        ILE  29   0.779  -4.241  -2.800
  214    HA   ILE  29           HA       ILE  29  -1.985  -3.207  -3.023
  215    HB   ILE  29           HB       ILE  29  -2.473  -3.480  -0.686
  216   1HG1  ILE  29          1HG1      ILE  29  -0.711  -4.931   0.632
  217   2HG1  ILE  29          2HG1      ILE  29   0.418  -4.339  -0.587
  218   1HG2  ILE  29          1HG2      ILE  29  -2.729  -5.849  -0.584
  219   2HG2  ILE  29          2HG2      ILE  29  -1.287  -6.128  -1.561
  220   3HG2  ILE  29          3HG2      ILE  29  -2.740  -5.461  -2.305
  221   1HD1  ILE  29          1HD1      ILE  29  -1.314  -2.250   0.555
  222   2HD1  ILE  29          2HD1      ILE  29  -0.234  -3.003   1.724
  223   3HD1  ILE  29          3HD1      ILE  29   0.426  -2.239   0.277
  224    H    CYS  30           H        CYS  30  -2.043  -1.389  -1.074
  225    HA   CYS  30           HA       CYS  30   0.467   0.205  -1.464
  226   1HB   CYS  30          1HB       CYS  30  -1.921   0.785  -2.431
  227   2HB   CYS  30          2HB       CYS  30  -2.228   1.345  -0.786
  228    H    VAL  31           H        VAL  31   1.583  -0.176   0.473
  229    HA   VAL  31           HA       VAL  31   0.111  -0.179   3.045
  230    HB   VAL  31           HB       VAL  31   2.480  -0.613   3.896
  231   1HG1  VAL  31          1HG1      VAL  31   2.383  -2.895   3.307
  232   2HG1  VAL  31          2HG1      VAL  31   1.667  -2.546   1.735
  233   3HG1  VAL  31          3HG1      VAL  31   0.709  -2.351   3.203
  234   1HG2  VAL  31          1HG2      VAL  31   3.393  -1.373   1.220
  235   2HG2  VAL  31          2HG2      VAL  31   4.247  -0.499   2.494
  236   3HG2  VAL  31          3HG2      VAL  31   3.167   0.368   1.400
  237    H    TRP  32           H        TRP  32   0.176   1.486   4.507
  238    HA   TRP  32           HA       TRP  32   0.705   4.146   3.822
  239   1HB   TRP  32          1HB       TRP  32  -0.457   3.970   5.794
  240   2HB   TRP  32          2HB       TRP  32   0.356   2.468   6.235
  241    HD1  TRP  32           HD       TRP  32   2.308   2.603   7.894
  242    HE1  TRP  32           1HE      TRP  32   3.498   4.514   9.146
  243    HE3  TRP  32           3HE      TRP  32   0.261   6.626   5.507
  244    HZ2  TRP  32           2HZ      TRP  32   3.574   7.377   9.138
  245    HZ3  TRP  32           3HZ      TRP  32   0.909   8.931   6.146
  246    HH2  TRP  32           HH       TRP  32   2.560   9.311   7.957
  247    H    ASP  33           H        ASP  33   2.589   5.384   3.733
  248    HA   ASP  33           HA       ASP  33   5.169   3.952   4.135
  249   1HB   ASP  33          1HB       ASP  33   6.022   5.996   2.903
  250   2HB   ASP  33          2HB       ASP  33   4.824   5.059   2.007
  251    HD2  ASP  33           HD2      ASP  33   2.617   7.685   2.006
  252    H    GLY  34           H        GLY  34   6.043   4.187   6.165
  253   1HA   GLY  34          1HA       GLY  34   5.637   6.811   7.547
  254   2HA   GLY  34          2HA       GLY  34   5.812   5.277   8.402
  255    H    SER  35           H        SER  35   7.788   6.072   5.611
  256    HA   SER  35           HA       SER  35  10.200   5.849   7.308
  257   1HB   SER  35          1HB       SER  35  11.185   6.110   4.872
  258   2HB   SER  35          2HB       SER  35  10.372   4.615   5.329
  259    HG   SER  35           HG       SER  35   9.075   5.048   3.740
  260    H    VAL  36           H        VAL  36   9.557   8.019   8.363
  261    HA   VAL  36           HA       VAL  36   9.492  10.495   7.019
  262    HB   VAL  36           HB       VAL  36  10.106  11.392   9.208
  263   1HG1  VAL  36          1HG1      VAL  36   7.918   9.977   8.757
  264   2HG1  VAL  36          2HG1      VAL  36   8.306  10.510  10.394
  265   3HG1  VAL  36          3HG1      VAL  36   8.661   8.855   9.899
  266   1HG2  VAL  36          1HG2      VAL  36  10.768   9.607  10.977
  267   2HG2  VAL  36          2HG2      VAL  36  12.014  10.154   9.855
  268   3HG2  VAL  36          3HG2      VAL  36  11.207   8.607   9.593
  Start of MODEL   20
    1   1H    ASP   1          1HT       ASP   1 -10.701   5.595  -7.307
    2   2H    ASP   1          2HT       ASP   1 -12.101   4.842  -6.705
    3   3H    ASP   1          3HT       ASP   1 -10.574   4.156  -6.417
    4    HA   ASP   1           HA       ASP   1 -10.996   6.895  -5.473
    5   1HB   ASP   1          1HB       ASP   1 -13.000   5.120  -5.098
    6   2HB   ASP   1          2HB       ASP   1 -11.960   4.669  -3.746
    7    HD2  ASP   1           HD2      ASP   1 -13.043   8.474  -3.669
    8    H    CYS   2           H        CYS   2  -9.642   7.212  -3.577
    9    HA   CYS   2           HA       CYS   2  -7.148   5.815  -3.615
   10   1HB   CYS   2          1HB       CYS   2  -6.706   7.757  -2.549
   11   2HB   CYS   2          2HB       CYS   2  -8.424   8.065  -2.356
   12    H    VAL   3           H        VAL   3  -6.289   4.845  -1.417
   13    HA   VAL   3           HA       VAL   3  -8.354   3.110  -0.135
   14    HB   VAL   3           HB       VAL   3  -5.711   2.165  -1.280
   15   1HG1  VAL   3          1HG1      VAL   3  -6.357   0.621   0.364
   16   2HG1  VAL   3          2HG1      VAL   3  -7.088  -0.056  -1.089
   17   3HG1  VAL   3          3HG1      VAL   3  -8.075   0.859   0.050
   18   1HG2  VAL   3          1HG2      VAL   3  -7.209   1.090  -3.027
   19   2HG2  VAL   3          2HG2      VAL   3  -7.075   2.844  -3.143
   20   3HG2  VAL   3          3HG2      VAL   3  -8.514   2.115  -2.430
   21    H    ARG   4           H        ARG   4  -7.297   1.931   1.798
   22    HA   ARG   4           HA       ARG   4  -5.437   3.833   3.166
   23   1HB   ARG   4          1HB       ARG   4  -6.427   2.879   5.212
   24   2HB   ARG   4          2HB       ARG   4  -7.695   3.437   4.119
   25   1HG   ARG   4          1HG       ARG   4  -8.288   1.260   3.486
   26   2HG   ARG   4          2HG       ARG   4  -6.736   0.589   3.990
   27   1HD   ARG   4          1HD       ARG   4  -7.384   1.215   6.385
   28   2HD   ARG   4          2HD       ARG   4  -9.019   1.509   5.759
   29    HE   ARG   4           HE       ARG   4  -7.619  -1.124   5.716
   30   1HH1  ARG   4          1HH1      ARG   4 -10.221  -0.552   7.190
   31   2HH1  ARG   4          2HH1      ARG   4 -11.380  -1.252   6.112
   32   1HH2  ARG   4          1HH2      ARG   4  -9.183  -1.428   3.435
   33   2HH2  ARG   4          2HH2      ARG   4 -10.794  -1.748   3.986
   34    H    PHE   5           H        PHE   5  -4.401   2.314   5.132
   35    HA   PHE   5           HA       PHE   5  -2.176   1.016   4.158
   36   1HB   PHE   5          1HB       PHE   5  -3.285   1.538   6.581
   37   2HB   PHE   5          2HB       PHE   5  -3.460  -0.215   6.533
   38    HD1  PHE   5           1HD      PHE   5  -1.019  -0.761   4.762
   39    HD2  PHE   5           2HD      PHE   5  -1.561   1.669   8.260
   40    HE1  PHE   5           1HE      PHE   5   1.385  -1.016   5.310
   41    HE2  PHE   5           2HE      PHE   5   0.843   1.413   8.811
   42    HZ   PHE   5           HZ       PHE   5   2.318   0.073   7.335
   43    H    TRP   6           H        TRP   6  -1.799  -0.886   3.086
   44    HA   TRP   6           HA       TRP   6  -2.150  -3.039   2.183
   45   1HB   TRP   6          1HB       TRP   6  -4.138  -3.239   4.468
   46   2HB   TRP   6          2HB       TRP   6  -3.274  -4.566   3.688
   47    HD1  TRP   6           HD       TRP   6  -3.024  -2.225   6.528
   48    HE1  TRP   6           1HE      TRP   6  -0.672  -2.319   7.581
   49    HE3  TRP   6           3HE      TRP   6  -0.546  -4.856   2.919
   50    HZ2  TRP   6           2HZ      TRP   6   1.917  -3.374   6.974
   51    HZ3  TRP   6           3HZ      TRP   6   1.860  -5.390   3.184
   52    HH2  TRP   6           HH       TRP   6   3.093  -4.653   5.204
   53    H    GLY   7           H        GLY   7  -3.164  -1.871   0.381
   54   1HA   GLY   7          1HA       GLY   7  -5.953  -2.781  -0.003
   55   2HA   GLY   7          2HA       GLY   7  -5.605  -1.070  -0.273
   56    H    LYS   8           H        LYS   8  -6.024  -3.810  -1.938
   57    HA   LYS   8           HA       LYS   8  -4.014  -4.425  -3.664
   58   1HB   LYS   8          1HB       LYS   8  -5.821  -4.553  -5.423
   59   2HB   LYS   8          2HB       LYS   8  -6.275  -5.280  -3.883
   60   1HG   LYS   8          1HG       LYS   8  -6.997  -2.594  -3.613
   61   2HG   LYS   8          2HG       LYS   8  -7.462  -3.006  -5.263
   62   1HD   LYS   8          1HD       LYS   8  -8.414  -5.190  -4.101
   63   2HD   LYS   8          2HD       LYS   8  -8.443  -4.152  -2.675
   64   1HE   LYS   8          1HE       LYS   8 -10.345  -3.188  -3.427
   65   2HE   LYS   8          2HE       LYS   8  -9.497  -2.663  -4.895
   66   1HZ   LYS   8          1HZ       LYS   8 -10.836  -5.264  -4.401
   67   2HZ   LYS   8          2HZ       LYS   8  -9.742  -5.026  -5.679
   68   3HZ   LYS   8          3HZ       LYS   8 -11.184  -4.132  -5.614
   69    H    CYS   9           H        CYS   9  -2.566  -3.215  -4.762
   70    HA   CYS   9           HA       CYS   9  -3.444  -0.701  -6.102
   71   1HB   CYS   9          1HB       CYS   9  -2.618   0.159  -4.080
   72   2HB   CYS   9          2HB       CYS   9  -1.418  -1.120  -3.914
   73    H    SER  10           H        SER  10  -2.012  -0.114  -7.874
   74    HA   SER  10           HA       SER  10   0.264  -1.877  -8.520
   75   1HB   SER  10          1HB       SER  10  -1.406  -1.932 -10.821
   76   2HB   SER  10          2HB       SER  10  -0.954  -3.285  -9.792
   77    HG   SER  10           HG       SER  10  -3.160  -1.522  -9.495
   78    H    GLN  11           H        GLN  11   1.162   0.394  -8.313
   79    HA   GLN  11           HA       GLN  11   2.039   2.332  -9.343
   80   1HB   GLN  11          1HB       GLN  11   1.572   0.268 -11.336
   81   2HB   GLN  11          2HB       GLN  11   1.425   1.876 -12.047
   82   1HG   GLN  11          1HG       GLN  11   3.705   1.558 -10.200
   83   2HG   GLN  11          2HG       GLN  11   3.804   0.579 -11.665
   84   1HE2  GLN  11          1HE2      GLN  11   3.083   3.972 -10.658
   85   2HE2  GLN  11          2HE2      GLN  11   3.769   4.681 -12.042
   86    H    THR  12           H        THR  12   1.147   3.783 -11.553
   87    HA   THR  12           HA       THR  12  -0.470   5.392 -12.157
   88    HB   THR  12           HB       THR  12  -2.245   3.132 -11.176
   89    HG1  THR  12           1HG      THR  12  -2.262   2.609 -13.388
   90   1HG2  THR  12          1HG2      THR  12  -2.860   5.467 -13.011
   91   2HG2  THR  12          2HG2      THR  12  -3.451   5.280 -11.358
   92   3HG2  THR  12          3HG2      THR  12  -3.965   4.151 -12.610
   93    H    SER  13           H        SER  13  -2.788   4.299  -9.822
   94    HA   SER  13           HA       SER  13  -1.929   5.771  -7.516
   95   1HB   SER  13          1HB       SER  13  -2.128   7.649  -9.115
   96   2HB   SER  13          2HB       SER  13  -3.797   7.194  -9.443
   97    HG   SER  13           HG       SER  13  -3.215   8.887  -7.738
   98    H    ASP  14           H        ASP  14  -2.969   3.495  -7.130
   99    HA   ASP  14           HA       ASP  14  -5.912   3.421  -7.211
  100   1HB   ASP  14          1HB       ASP  14  -3.675   1.597  -6.310
  101   2HB   ASP  14          2HB       ASP  14  -5.368   1.182  -6.039
  102    HD2  ASP  14           HD2      ASP  14  -4.673  -0.171  -9.253
  103    H    CYS  15           H        CYS  15  -3.470   3.108  -4.593
  104    HA   CYS  15           HA       CYS  15  -5.472   3.583  -2.516
  105   1HB   CYS  15          1HB       CYS  15  -3.554   3.286  -1.051
  106   2HB   CYS  15          2HB       CYS  15  -3.434   2.109  -2.360
  107    H    CYS  16           H        CYS  16  -4.335   5.270  -0.733
  108    HA   CYS  16           HA       CYS  16  -4.740   7.907  -1.933
  109   1HB   CYS  16          1HB       CYS  16  -4.658   6.617   0.668
  110   2HB   CYS  16          2HB       CYS  16  -3.791   8.152   0.683
  111    HA   PRO  17           HA       PRO  17  -0.572   9.093  -2.731
  112   1HB   PRO  17          1HB       PRO  17  -0.837  11.653  -1.442
  113   2HB   PRO  17          2HB       PRO  17  -0.936  11.295  -3.172
  114   1HG   PRO  17          1HG       PRO  17  -3.066  12.051  -1.418
  115   2HG   PRO  17          2HG       PRO  17  -3.175  11.636  -3.133
  116   1HD   PRO  17          1HD       PRO  17  -4.072  10.083  -0.859
  117   2HD   PRO  17          2HD       PRO  17  -4.231   9.693  -2.591
  118    H    HIS  18           H        HIS  18  -1.812   8.836   0.431
  119    HA   HIS  18           HA       HIS  18   0.699   9.616   1.772
  120   1HB   HIS  18          1HB       HIS  18  -2.081   9.455   2.340
  121   2HB   HIS  18          2HB       HIS  18  -1.236   8.435   3.503
  122    HD1  HIS  18           1HD      HIS  18  -0.229  12.017   2.062
  123    HD2  HIS  18           2HD      HIS  18  -0.807   9.804   5.551
  124    HE1  HIS  18           1HE      HIS  18   0.001  12.092   6.281
  125    HE2  HIS  18           2HE      HIS  18   0.001  12.092   6.280
  126    H    LEU  19           H        LEU  19   0.231   7.071  -0.001
  127    HA   LEU  19           HA       LEU  19   1.546   5.207   1.928
  128   1HB   LEU  19          1HB       LEU  19  -0.830   4.622   0.133
  129   2HB   LEU  19          2HB       LEU  19   0.022   3.417   1.101
  130    HG   LEU  19           HG       LEU  19  -0.484   5.348   2.973
  131   1HD1  LEU  19          1HD1      LEU  19  -2.257   6.634   2.445
  132   2HD1  LEU  19          2HD1      LEU  19  -2.103   6.044   0.789
  133   3HD1  LEU  19          3HD1      LEU  19  -3.185   5.230   1.917
  134   1HD2  LEU  19          1HD2      LEU  19  -1.361   3.498   3.912
  135   2HD2  LEU  19          2HD2      LEU  19  -1.327   2.699   2.341
  136   3HD2  LEU  19          3HD2      LEU  19  -2.759   3.600   2.843
  137    H    ALA  20           H        ALA  20   2.105   3.094   0.470
  138    HA   ALA  20           HA       ALA  20   3.139   3.996  -2.190
  139   1HB   ALA  20          1HB       ALA  20   4.730   4.069  -0.076
  140   2HB   ALA  20          2HB       ALA  20   4.814   2.325  -0.332
  141   3HB   ALA  20          3HB       ALA  20   5.332   3.430  -1.605
  142    H    CYS  21           H        CYS  21   3.464   2.210  -3.675
  143    HA   CYS  21           HA       CYS  21   1.760  -0.128  -3.076
  144   1HB   CYS  21          1HB       CYS  21   2.081   1.505  -5.204
  145   2HB   CYS  21          2HB       CYS  21   3.216   0.232  -5.643
  146    H    LYS  22           H        LYS  22   3.206  -1.265  -1.585
  147    HA   LYS  22           HA       LYS  22   5.292  -2.841  -2.991
  148   1HB   LYS  22          1HB       LYS  22   5.976  -1.516  -0.374
  149   2HB   LYS  22          2HB       LYS  22   7.062  -2.101  -1.633
  150   1HG   LYS  22          1HG       LYS  22   6.293  -0.269  -3.121
  151   2HG   LYS  22          2HG       LYS  22   5.260   0.331  -1.824
  152   1HD   LYS  22          1HD       LYS  22   7.415   1.555  -1.918
  153   2HD   LYS  22          2HD       LYS  22   7.218   0.689  -0.395
  154   1HE   LYS  22          1HE       LYS  22   8.452  -1.057  -2.339
  155   2HE   LYS  22          2HE       LYS  22   9.379   0.449  -2.205
  156   1HZ   LYS  22          1HZ       LYS  22   8.841   0.097   0.326
  157   2HZ   LYS  22          2HZ       LYS  22  10.180  -0.661  -0.394
  158   3HZ   LYS  22          3HZ       LYS  22   8.743  -1.531  -0.138
  159    H    SER  23           H        SER  23   4.932  -4.953  -2.354
  160    HA   SER  23           HA       SER  23   4.413  -5.564   0.474
  161   1HB   SER  23          1HB       SER  23   2.348  -5.604  -1.687
  162   2HB   SER  23          2HB       SER  23   2.266  -6.828  -0.423
  163    HG   SER  23           HG       SER  23   1.928  -4.065  -0.293
  164    H    LYS  24           H        LYS  24   4.383  -7.896   0.867
  165    HA   LYS  24           HA       LYS  24   5.280  -9.643  -1.375
  166   1HB   LYS  24          1HB       LYS  24   6.735  -9.551   1.277
  167   2HB   LYS  24          2HB       LYS  24   7.296 -10.229  -0.250
  168   1HG   LYS  24          1HG       LYS  24   7.314  -7.921  -1.217
  169   2HG   LYS  24          2HG       LYS  24   6.892  -7.289   0.375
  170   1HD   LYS  24          1HD       LYS  24   8.964  -8.578   1.227
  171   2HD   LYS  24          2HD       LYS  24   9.431  -8.684  -0.472
  172   1HE   LYS  24          1HE       LYS  24  10.056  -6.497  -0.535
  173   2HE   LYS  24          2HE       LYS  24   8.599  -5.976   0.334
  174   1HZ   LYS  24          1HZ       LYS  24   9.551  -6.336   2.358
  175   2HZ   LYS  24          2HZ       LYS  24  10.948  -5.921   1.487
  176   3HZ   LYS  24          3HZ       LYS  24  10.588  -7.554   1.794
  177    H    TRP  25           H        TRP  25   2.808  -9.779  -0.388
  178    HA   TRP  25           HA       TRP  25   2.289 -12.358   0.459
  179   1HB   TRP  25          1HB       TRP  25   3.467 -12.232   2.466
  180   2HB   TRP  25          2HB       TRP  25   3.135 -10.518   2.675
  181    HD1  TRP  25           HD       TRP  25   1.965 -10.524   4.977
  182    HE1  TRP  25           1HE      TRP  25  -0.185 -11.596   5.905
  183    HE3  TRP  25           3HE      TRP  25   0.788 -13.637   1.104
  184    HZ2  TRP  25           2HZ      TRP  25  -2.149 -13.519   5.112
  185    HZ3  TRP  25           3HZ      TRP  25  -1.227 -15.077   1.216
  186    HH2  TRP  25           HH       TRP  25  -2.695 -15.021   3.212
  187    HA   PRO  26           HA       PRO  26  -1.431  -9.451   1.636
  188   1HB   PRO  26          1HB       PRO  26  -0.730  -6.837   0.663
  189   2HB   PRO  26          2HB       PRO  26  -1.106  -7.309   2.322
  190   1HG   PRO  26          1HG       PRO  26   1.448  -6.594   1.232
  191   2HG   PRO  26          2HG       PRO  26   1.071  -7.074   2.889
  192   1HD   PRO  26          1HD       PRO  26   2.499  -8.572   0.903
  193   2HD   PRO  26          2HD       PRO  26   2.102  -9.070   2.561
  194    H    ARG  27           H        ARG  27   0.626  -9.616  -1.066
  195    HA   ARG  27           HA       ARG  27   0.175 -10.000  -3.319
  196   1HB   ARG  27          1HB       ARG  27  -2.286 -10.450  -1.870
  197   2HB   ARG  27          2HB       ARG  27  -2.619  -9.810  -3.480
  198   1HG   ARG  27          1HG       ARG  27  -1.135 -11.528  -4.455
  199   2HG   ARG  27          2HG       ARG  27  -0.835 -12.171  -2.839
  200   1HD   ARG  27          1HD       ARG  27  -2.584 -13.514  -3.915
  201   2HD   ARG  27          2HD       ARG  27  -3.321 -12.563  -2.610
  202    HE   ARG  27           HE       ARG  27  -3.449 -10.911  -4.856
  203   1HH1  ARG  27          1HH2      ARG  27  -3.738 -13.853  -5.951
  204   2HH1  ARG  27          2HH2      ARG  27  -5.460 -13.924  -6.113
  205   1HH2  ARG  27          1HH1      ARG  27  -6.021 -11.081  -4.207
  206   2HH2  ARG  27          2HH1      ARG  27  -6.753 -12.354  -5.125
  207    H    ASN  28           H        ASN  28   1.148  -7.970  -3.756
  208    HA   ASN  28           HA       ASN  28   1.232  -5.720  -4.477
  209   1HB   ASN  28          1HB       ASN  28  -0.106  -5.543  -6.537
  210   2HB   ASN  28          2HB       ASN  28   0.621  -7.145  -6.392
  211   1HD2  ASN  28          1HD2      ASN  28  -2.412  -5.404  -6.490
  212   2HD2  ASN  28          2HD2      ASN  28  -3.422  -6.765  -6.376
  213    H    ILE  29           H        ILE  29   0.558  -4.491  -2.615
  214    HA   ILE  29           HA       ILE  29  -2.122  -3.243  -2.974
  215    HB   ILE  29           HB       ILE  29  -2.630  -3.457  -0.615
  216   1HG1  ILE  29          1HG1      ILE  29  -1.050  -5.025   0.729
  217   2HG1  ILE  29          2HG1      ILE  29   0.140  -4.668  -0.523
  218   1HG2  ILE  29          1HG2      ILE  29  -3.385  -5.605  -0.789
  219   2HG2  ILE  29          2HG2      ILE  29  -1.780  -6.248  -1.138
  220   3HG2  ILE  29          3HG2      ILE  29  -2.727  -5.497  -2.421
  221   1HD1  ILE  29          1HD1      ILE  29  -0.138  -3.165   1.706
  222   2HD1  ILE  29          2HD1      ILE  29   0.416  -2.500   0.170
  223   3HD1  ILE  29          3HD1      ILE  29  -1.273  -2.332   0.647
  224    H    CYS  30           H        CYS  30  -2.070  -1.430  -0.971
  225    HA   CYS  30           HA       CYS  30   0.482   0.057  -1.443
  226   1HB   CYS  30          1HB       CYS  30  -1.880   0.763  -2.331
  227   2HB   CYS  30          2HB       CYS  30  -2.158   1.266  -0.665
  228    H    VAL  31           H        VAL  31   1.693  -0.237   0.437
  229    HA   VAL  31           HA       VAL  31   0.312  -0.272   3.064
  230    HB   VAL  31           HB       VAL  31   2.661  -0.794   3.831
  231   1HG1  VAL  31          1HG1      VAL  31   0.941  -2.514   3.093
  232   2HG1  VAL  31          2HG1      VAL  31   2.621  -3.036   2.991
  233   3HG1  VAL  31          3HG1      VAL  31   1.762  -2.542   1.532
  234   1HG2  VAL  31          1HG2      VAL  31   4.420  -0.516   2.444
  235   2HG2  VAL  31          2HG2      VAL  31   3.317   0.338   1.364
  236   3HG2  VAL  31          3HG2      VAL  31   3.612  -1.388   1.140
  237    H    TRP  32           H        TRP  32   0.287   1.481   4.393
  238    HA   TRP  32           HA       TRP  32   0.756   4.104   3.748
  239   1HB   TRP  32          1HB       TRP  32  -0.191   3.880   5.820
  240   2HB   TRP  32          2HB       TRP  32   0.722   2.416   6.170
  241    HD1  TRP  32           HD       TRP  32   2.796   2.623   7.660
  242    HE1  TRP  32           1HE      TRP  32   4.014   4.576   8.814
  243    HE3  TRP  32           3HE      TRP  32   0.411   6.564   5.460
  244    HZ2  TRP  32           2HZ      TRP  32   3.984   7.441   8.803
  245    HZ3  TRP  32           3HZ      TRP  32   1.024   8.892   6.048
  246    HH2  TRP  32           HH       TRP  32   2.806   9.335   7.715
  247    H    ASP  33           H        ASP  33   2.549   5.452   3.533
  248    HA   ASP  33           HA       ASP  33   5.136   4.350   3.025
  249   1HB   ASP  33          1HB       ASP  33   4.114   6.506   2.189
  250   2HB   ASP  33          2HB       ASP  33   4.401   7.191   3.788
  251    HD2  ASP  33           HD2      ASP  33   7.720   6.173   1.879
  252    H    GLY  34           H        GLY  34   7.140   5.155   4.270
  253   1HA   GLY  34          1HA       GLY  34   6.625   5.270   7.208
  254   2HA   GLY  34          2HA       GLY  34   7.801   4.126   6.559
  255    H    SER  35           H        SER  35   7.103   7.564   5.871
  256    HA   SER  35           HA       SER  35   9.981   8.123   5.716
  257   1HB   SER  35          1HB       SER  35   8.895  10.499   5.384
  258   2HB   SER  35          2HB       SER  35   8.690   9.276   4.135
  259    HG   SER  35           HG       SER  35   6.717  10.319   4.786
  260    H    VAL  36           H        VAL  36  10.126   7.401   8.138
  261    HA   VAL  36           HA       VAL  36   9.362   9.627   9.982
  262    HB   VAL  36           HB       VAL  36  10.253   6.763  10.451
  263   1HG1  VAL  36          1HG1      VAL  36  10.497   8.825  12.217
  264   2HG1  VAL  36          2HG1      VAL  36  10.192   7.157  12.699
  265   3HG1  VAL  36          3HG1      VAL  36   8.851   8.294  12.561
  266   1HG2  VAL  36          1HG2      VAL  36   8.110   6.358   9.808
  267   2HG2  VAL  36          2HG2      VAL  36   7.660   8.059   9.932
  268   3HG2  VAL  36          3HG2      VAL  36   7.671   7.042  11.374