*HEADER    NOVEL SEQUENCE                          09-JUN-97   1FSD      
*TITLE     FULL SEQUENCE DESIGN 1 (FSD-1) OF BETA BETA ALPHA MOTIF,      
*TITLE    2 NMR, 41 STRUCTURES                                           
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: FULL SEQUENCE DESIGN 1 OF BETA BETA ALPHA MOTIF;   
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: NOVEL FULLY AUTOMATICALLY COMPUTED SEQUENCE       
*KEYWDS    NOVEL SEQUENCE, COMPUTATIONAL DESIGN                          
*EXPDTA    NMR, 41 STRUCTURES                                            
*AUTHOR    B.I.DAHIYAT,S.L.MAYO                                          
*REVDAT   1   12-OCT-04 1FSD    0   

! ANSIG v3.3 XPLOR distance restraints file
! No distance corrections applied.
! Trivial distances not output.

! residue 1    Gln , intraresidue NOEs
assi (resi 1    and name HA  ) (resi 1    and name HB# )  3.00  1.20  0.30

! residue 1    Gln , NOEs forward in sequence
assi (resi 1    and name HA  ) (resi 2    and name HN  )  4.00  2.20  1.00

! residue 2    Gln , intraresidue NOEs
! trivial: assi (resi 2    and name HN  ) (resi 2    and name HA  )  4.00  2.20
 1.00
! trivial: assi (resi 2    and name HA  ) (resi 2    and name HB# )  4.00  2.20
 1.00

! residue 2    Gln , NOEs forward in sequence
assi (resi 2    and name HN  ) (resi 3    and name HN  )  3.00  1.20  0.30
assi (resi 2    and name HA  ) (resi 3    and name HN  )  4.00  2.20  1.00
assi (resi 2    and name HA  ) (resi 3    and name HE# )  4.00  2.20  1.00
assi (resi 2    and name HB# ) (resi 3    and name HN  )  4.00  2.20  1.00

! residue 3    Tyr , intraresidue NOEs
! trivial: assi (resi 3    and name HN  ) (resi 3    and name HA  )  4.00  2.20
 1.00
assi (resi 3    and name HN  ) (resi 3    and name HB# )  4.00  2.20  1.00
assi (resi 3    and name HA  ) (resi 3    and name HB# )  2.50  0.70  0.20
assi (resi 3    and name HA  ) (resi 3    and name HD# )  4.00  2.20  1.00
assi (resi 3    and name HA  ) (resi 3    and name HE# )  4.00  2.20  1.00
assi (resi 3    and name HB# ) (resi 3    and name HD# )  2.50  0.70  0.20
assi (resi 3    and name HB# ) (resi 3    and name HE# )  4.00  2.20  1.00
! trivial: assi (resi 3    and name HD# ) (resi 3    and name HE# )  2.50  0.70
 0.20

! residue 3    Tyr , 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  )  3.00  1.20  0.30
assi (resi 3    and name HB# ) (resi 4    and name HN  )  4.00  2.20  1.00
assi (resi 3    and name HD# ) (resi 4    and name HN  )  4.00  2.20  1.00
! assi (resi 3    and name HE# ) (resi 5    and name HB# ) undef
assi (resi 3    and name HD# ) (resi 12   and name HN  )  4.00  2.20  1.00
! assi (resi 3    and name HE# ) (resi 12   and name HB# ) undef
assi (resi  3   and name HD# ) (resi 14   and name HA  )  4.00  2.20  1.00
assi (resi  3   and name HE# ) (resi 14   and name HA  )  4.00  2.20  1.00
assi (resi 3    and name HD# ) (resi 15   and name HB# )  4.00  2.20  1.00
assi (resi 3    and name HD# ) (resi 15   and name HG# )  4.00  2.20  1.00
assi (resi 3    and name HE# ) (resi 15   and name HA  )  4.00  2.20  1.00
assi (resi 3    and name HE# ) (resi 15   and name HB# )  4.00  2.20  1.00
! assi (resi 3    and name HE# ) (resi 15   and name HG# ) undef
assi (resi 3    and name HD# ) (resi 18   and name HG  )  4.00  2.20  1.00
! assi (resi 3    and name HD# ) (resi 18   and name HB# ) undef
assi (resi 3    and name HD# ) (resi 18   and name HD2#) 4.00  2.20 1.5
assi (resi 3    and name HE# ) (resi 18   and name HD2#) 4.00  2.20 1.5

! residue 4    Thr , intraresidue NOEs
! trivial: assi (resi 4    and name HN  ) (resi 4    and name HA  )  4.00  2.20
 1.00
assi (resi 4    and name HN  ) (resi 4    and name HG2#)  4.00  2.20 1.5
assi (resi 4    and name HA  ) (resi 4    and name HB  )  3.00  1.20  0.30
assi (resi 4    and name HA  ) (resi 4    and name HG2#)  4.00  2.20 1.5
! trivial: assi (resi 4    and name HB  ) (resi 4    and name HG2#)  4.00  2.20
 1.00

! residue 4    Thr , NOEs forward in sequence
assi (resi 4    and name HN  ) (resi 5    and name HN  )  4.00  2.20  1.00
assi (resi  4   and name HA  ) (resi  5   and name HN  )  3.00  1.20  0.30
assi (resi 4    and name HB  ) (resi 5    and name HN  )  3.00  1.20  0.30

! residue 5    Ala , intraresidue NOEs
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# )  4.00  2.20 1.5
! trivial: assi (resi 5    and name HA  ) (resi 5    and name HB# )  4.00  2.20
 1.00

! residue 5    Ala , NOEs forward in sequence
assi (resi  5   and name HA  ) (resi  6   and name HN  )  2.50  0.70  0.20
assi (resi 5    and name HN  ) (resi 12   and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HB# ) (resi 12   and name HD# )  4.00  2.20 1.5
assi (resi 5    and name HB# ) (resi 12   and name HE# )  4.00  2.20 1.5
assi (resi 5    and name HB# ) (resi 18   and name HD1#)  4.00  2.20 1.5

! residue 6    Lys , intraresidue NOEs
assi (resi 6    and name HN  ) (resi 6    and name HA  )  3.00  1.20  0.30
! trivial: assi (resi 6    and name HA  ) (resi 6    and name HB# )  4.00  2.20
 1.00
assi (resi 6    and name HA  ) (resi 6    and name HG# )  4.00  2.20  1.00
assi (resi 6    and name HA  ) (resi 6    and name HD# )  4.00  2.20  1.00

! residue 6    Lys , NOEs forward in sequence
assi (resi  6   and name HA  ) (resi  7   and name HN  )  2.50  0.70  0.20
assi (resi 6    and name HA  ) (resi 12   and name HN  )  4.00  2.20  1.00
assi (resi 6    and name HA  ) (resi 12   and name HD# )  4.00  2.20  1.00

! residue 7    Ile , intraresidue NOEs
assi (resi 7    and name HN  ) (resi 7    and name HA  )  3.00  1.20  0.30
assi (resi 7    and name HA  ) (resi 7    and name HB  )  2.50  0.70  0.20
assi (resi 7    and name HA  ) (resi 7    and name HG2#)  4.00  2.20 1.5
assi (resi 7    and name HA  ) (resi 7    and name HD1#)  4.00  2.20 1.5
assi (resi 7    and name HA  ) (resi 7    and name HG1#)  3.00  1.20  0.30

! residue 7    Ile , 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 HB  ) (resi 8    and name HN  )  3.00  1.20  0.30
assi (resi 7    and name HG2#) (resi 8    and name HN  )  4.00  2.20 1.5
assi (resi 7    and name HN  ) (resi  9   and name HN  )  4.00  2.20  1.00
assi (resi 7    and name HA  ) (resi  9   and name HN  )  4.00  2.20  1.00
assi (resi 7    and name HG2#) (resi 12   and name HE# )  4.00  2.20 1.5
assi (resi 7    and name HD1#) (resi 12   and name HE# )  4.00  2.20 1.5
assi (resi 7    and name HG2#) (resi 21   and name HD# )  4.00  2.20 1.5
assi (resi 7    and name HG2#) (resi 21   and name HE# )  4.00  2.20 1.5
assi (resi 7    and name HD1#) (resi 21   and name HD# )  4.00  2.20 1.5
assi (resi 7    and name HD1#) (resi 21   and name HE# )  4.00  2.20 1.5

! residue 8    Lys , intraresidue NOEs
assi (resi 8    and name HN  ) (resi 8    and name HA  )  2.50  0.70  0.20
assi (resi 8    and name HA  ) (resi 8    and name HB# )  2.50  0.70  0.20
assi (resi 8    and name HA  ) (resi 8    and name HG# )  3.00  1.20  0.30
assi (resi 8    and name HA  ) (resi 8    and name HD# )  3.00  1.20  0.30

! residue 8    Lys , NOEs forward in sequence
assi (resi 8    and name HB# ) (resi 9    and name HN  )  3.00  1.20  0.30
! assi (resi 8    and name HA  ) (resi 21   and name HD# ) undef
assi (resi 8    and name HA  ) (resi 21   and name HE# )  4.00  2.20  1.00
assi (resi 8    and name HG# ) (resi 25   and name HD# )  4.00  2.20  1.00

! residue 9    Gly , intraresidue NOEs
assi (resi 9    and name HN  ) (resi 9    and name HA# )  3.00  1.20  0.30

! residue 9    Gly , 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  )  4.00  2.20  1.00

! residue 10   Arg , intraresidue NOEs
! trivial: assi (resi 10   and name HN  ) (resi 10   and name HA  )  4.00  2.20
 1.00
assi (resi 10   and name HN  ) (resi 10   and name HB# )  4.00  2.20  1.00
assi (resi 10   and name HN  ) (resi 10   and name HG# )  4.00  2.20  1.00
assi (resi 10   and name HA  ) (resi 10   and name HB# )  3.00  1.20  0.30
assi (resi 10   and name HA  ) (resi 10   and name HG# )  4.00  2.20  1.00
assi (resi 10   and name HA  ) (resi 10   and name HD# )  4.00  2.20  1.00

! residue 10   Arg , NOEs forward in sequence
assi (resi 10   and name HN  ) (resi 11   and name HN  )  4.00  2.20  1.00
assi (resi 10   and name HA  ) (resi 11   and name HN  )  2.50  0.70  0.20
assi (resi 10   and name HB# ) (resi 11   and name HN  )  4.00  2.20  1.00
assi (resi 10   and name HG# ) (resi 11   and name HN  )  4.00  2.20  1.00
assi (resi 10   and name HB# ) (resi 12   and name HD# )  4.00  2.20  1.00
assi (resi 10   and name HB# ) (resi 12   and name HE# )  4.00  2.20  1.00
assi (resi 10   and name HG# ) (resi 12   and name HD# )  4.00  2.20  1.00
assi (resi 10   and name HG# ) (resi 12   and name HE# )  4.00  2.20  1.00
assi (resi 10   and name HD# ) (resi 12   and name HE# )  4.00  2.20  1.00
assi (resi 10   and name HG# ) (resi 21   and name HD# )  4.00  2.20  1.00
assi (resi 10   and name HD# ) (resi 21   and name HD# )  4.00  2.20  1.00
assi (resi 10   and name HD# ) (resi 21   and name HE# )  4.00  2.20  1.00

! residue 11   Thr , intraresidue NOEs
assi (resi 11   and name HN  ) (resi 11   and name HA  )  3.00  1.20  0.30
assi (resi 11   and name HN  ) (resi 11   and name HB  )  3.00  1.20  0.30
assi (resi 11   and name HN  ) (resi 11   and name HG2#)  4.00  2.20 1.5
assi (resi 11   and name HA  ) (resi 11   and name HB  )  3.00  1.20  0.30
assi (resi 11   and name HA  ) (resi 11   and name HG2#)  4.00  2.20 1.5
! trivial: assi (resi 11   and name HB  ) (resi 11   and name HG2#)  4.00  2.20
 1.00

! residue 11   Thr , NOEs forward in sequence
assi (resi 11   and name HN  ) (resi 12   and name HN  )  4.00  2.20  1.00
assi (resi 11   and name HA  ) (resi 12   and name HN  )  2.50  0.70  0.20
assi (resi 11   and name HA  ) (resi 12   and name HD# )  3.00  1.20  0.30
assi (resi 11   and name HB  ) (resi 12   and name HN  )  4.00  2.20  1.00
assi (resi 11   and name HG2#) (resi 12   and name HN  )  4.00  2.20 1.5

! residue 12   Phe , intraresidue NOEs
! trivial: assi (resi 12   and name HN  ) (resi 12   and name HA  )  4.00  2.20
 1.00
assi (resi 12   and name HN  ) (resi 12   and name HB# )  4.00  2.20  1.00
! trivial: assi (resi 12   and name HA  ) (resi 12   and name HB# )  4.00  2.20
 1.00
assi (resi 12   and name HA  ) (resi 12   and name HD# )  3.00  1.20  0.30
assi (resi 12   and name HA  ) (resi 12   and name HE# )  4.00  2.20  1.00
! trivial: assi (resi 12   and name HZ  ) (resi 12   and name HD# )  4.00  2.20
 1.00
! trivial: assi (resi 12   and name HZ  ) (resi 12   and name HE# )  3.00  1.20
 0.30
assi (resi 12   and name HB# ) (resi 12   and name HD# )  2.50  0.70  0.20
assi (resi 12   and name HB# ) (resi 12   and name HE# )  4.00  2.20  1.00
! trivial: assi (resi 12   and name HD# ) (resi 12   and name HE# )  2.50  0.70
 0.20

! residue 12   Phe , NOEs forward in sequence
assi (resi 12   and name HN  ) (resi 13   and name HN  )  4.00  2.20  1.00
assi (resi 12   and name HA  ) (resi 13   and name HN  )  3.00  1.20  0.30
assi (resi 12   and name HB# ) (resi 13   and name HN  )  4.00  2.20  1.00
! assi (resi 12   and name HA  ) (resi 14   and name HN  ) undef
assi (resi 12   and name HD# ) (resi 17   and name HA  )  4.00  2.20  1.00
assi (resi 12   and name HD# ) (resi 17   and name HB# )  4.00  2.20  1.00
assi (resi 12   and name HD# ) (resi 17   and name HG# )  4.00  2.20  1.00
assi (resi 12   and name HE# ) (resi 17   and name HB# )  4.00  2.20  1.00
! assi (resi 12   and name HE# ) (resi 17   and name HG# ) undef
assi (resi 12   and name HD# ) (resi 18   and name HA  )  4.00  2.20  1.00
! assi (resi 12   and name HD# ) (resi 18   and name HB# ) undef
assi (resi 12   and name HD# ) (resi 18   and name HD1#)  4.00  2.20  1.5
assi (resi 12   and name HE# ) (resi 18   and name HA  )  4.00  2.20  1.00
assi (resi 12   and name HE# ) (resi 18   and name HD1#)  4.00  2.20  1.5
assi (resi 12   and name HZ  ) (resi 21   and name HD# )  4.00  2.20  1.00
assi (resi 12   and name HD# ) (resi 21   and name HB# )  4.00  2.20  1.00
assi (resi 12   and name HE# ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 12   and name HE# ) (resi 21   and name HA  )  4.00  2.20  1.00
assi (resi 12   and name HE# ) (resi 21   and name HB# )  4.00  2.20  1.00
assi (resi 12   and name HE# ) (resi 21   and name HD# )  2.50  0.70  0.20

! residue 13   Arg , intraresidue NOEs
! trivial: assi (resi 13   and name HN  ) (resi 13   and name HA  )  4.00  2.20
 1.00
assi (resi 13   and name HN  ) (resi 13   and name HB# )  4.00  2.20  1.00
assi (resi 13   and name HN  ) (resi 13   and name HG# )  4.00  2.20  1.00
! trivial: assi (resi 13   and name HE  ) (resi 13   and name HD# )  4.00  2.20
 1.00

! residue 13   Arg , NOEs forward in sequence
assi (resi 13   and name HN  ) (resi 14   and name HN  )  4.00  2.20  1.00
assi (resi 13   and name HA  ) (resi 14   and name HN  )  4.00  2.20  1.00
assi (resi 13   and name HA  ) (resi 14   and name HD21)  4.00  2.20  1.00
assi (resi 13   and name HB# ) (resi 14   and name HN  )  4.00  2.20  1.00
assi (resi 13   and name HB# ) (resi 14   and name HD21)  4.00  2.20  1.00
assi (resi 13   and name HB# ) (resi 14   and name HD22)  4.00  2.20  1.00
! assi (resi 13   and name HG# ) (resi 14   and name HD22) undef
assi (resi 13   and name HD# ) (resi 14   and name HD21)  4.00  2.20  1.00
assi (resi 13   and name HD# ) (resi 14   and name HD22)  4.00  2.20  1.00

! residue 14   Asn , intraresidue NOEs
! trivial: assi (resi 14   and name HN  ) (resi 14   and name HA  )  4.00  2.20
 1.00
assi (resi 14   and name HN  ) (resi 14   and name HB# )  4.00  2.20  1.00
assi (resi 14   and name HA  ) (resi 14   and name HD21)  4.00  2.20  1.00
! assi (resi 14   and name HA  ) (resi 14   and name HD22) undef
assi (resi 14   and name HA  ) (resi 14   and name HB# )  2.50  0.70  0.20
! trivial: assi (resi 14   and name HD21) (resi 14   and name HD22)  2.50  0.70
 0.20
assi (resi 14   and name HD21) (resi 14   and name HB# )  3.00  1.20  0.30
assi (resi 14   and name HD22) (resi 14   and name HB# )  4.00  2.20  1.00

! residue 14   Asn , NOEs forward in sequence
assi (resi 14   and name HN  ) (resi 15   and name HN  )  4.00  2.20  1.00
assi (resi 14   and name HA  ) (resi 15   and name HN  )  3.00  1.20  0.30
assi (resi 14   and name HB# ) (resi 15   and name HN  )  3.00  1.20  0.30
assi (resi 14   and name HA  ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 14   and name HD22) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 14   and name HN  ) (resi 17   and name HB# )  4.00  2.20  1.00
assi (resi 14   and name HA  ) (resi 17   and name HN  )  4.00  2.20  1.00
assi (resi 14   and name HD22) (resi 17   and name HN  )  4.00  2.20  1.00
! assi (resi 14   and name HD22) (resi 17   and name HG# ) undef

! residue 15   Glu , intraresidue NOEs
! trivial: assi (resi 15   and name HN  ) (resi 15   and name HA  )  4.00  2.20
 1.00
assi (resi 15   and name HN  ) (resi 15   and name HB# )  3.00  1.20  0.30
assi (resi 15   and name HN  ) (resi 15   and name HG# )  4.00  2.20  1.00
assi (resi 15   and name HA  ) (resi 15   and name HB# )  2.50  0.70  0.20

! residue 15   Glu , NOEs forward in sequence
assi (resi 15   and name HN  ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HN  ) (resi 16   and name HB# )  4.00  2.20  1.00
assi (resi 15   and name HB# ) (resi 16   and name HN  )  2.50  0.70  0.20
assi (resi 15   and name HN  ) (resi 17   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HA  ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HA  ) (resi 18   and name HB# )  2.50  0.70  0.20
assi (resi 15   and name HG# ) (resi 18   and name HB# )  4.00  2.20  1.00
! assi (resi 15   and name HG# ) (resi 18   and name HD# ) undef

! residue 16   Lys , intraresidue NOEs
assi (resi 16   and name HN  ) (resi 16   and name HA  )  2.50  0.70  0.20
assi (resi 16   and name HN  ) (resi 16   and name HB# )  2.50  0.70  0.20
assi (resi 16   and name HA  ) (resi 16   and name HB# )  2.50  0.70  0.20

! residue 16   Lys , NOEs forward in sequence
assi (resi 16   and name HA  ) (resi 17   and name HN  )  4.00  2.20  1.00
assi (resi 16   and name HB# ) (resi 17   and name HN  )  2.50  0.70  0.20
assi (resi 16   and name HN  ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 16   and name HA  ) (resi 19   and name HN  )  4.00  2.20  1.00
assi (resi 16   and name HA  ) (resi 19   and name HB# )  2.50  0.70  0.20

! residue 17   Glu , intraresidue NOEs
assi (resi 17   and name HN  ) (resi 17   and name HA  )  3.00  1.20  0.30
assi (resi 17   and name HN  ) (resi 17   and name HB# )  3.00  1.20  0.30
assi (resi 17   and name HN  ) (resi 17   and name HG# )  4.00  2.20  1.00
assi (resi 17   and name HA  ) (resi 17   and name HB# )  3.00  1.20  0.30
assi (resi 17   and name HA  ) (resi 17   and name HG# )  4.00  2.20  1.00

! residue 17   Glu , NOEs forward in sequence
assi (resi 17   and name HN  ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 17   and name HA  ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 17   and name HB# ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 17   and name HN  ) (resi 19   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 HA  ) (resi 20   and name HN  )  2.50  0.70  0.20
assi (resi 17   and name HA  ) (resi 20   and name HB# )  4.00  2.20  1.00
assi (resi 17   and name HA  ) (resi 21   and name HN  )  4.00  2.20  1.00

! residue 18   Leu , intraresidue NOEs
! trivial: assi (resi 18   and name HN  ) (resi 18   and name HA  )  4.00  2.20
 1.00
assi (resi 18   and name HN  ) (resi 18   and name HG  )  4.00  2.20  1.00
assi (resi 18   and name HN  ) (resi 18   and name HB# )  3.00  1.20  0.30
! assi (resi 18   and name HN  ) (resi 18   and name HD# ) undef
assi (resi 18   and name HA  ) (resi 18   and name HG  )  4.00  2.20  1.00
! trivial: assi (resi 18   and name HA  ) (resi 18   and name HB# )  4.00  2.20
 1.00
assi (resi 18   and name HA  ) (resi 18   and name HD# )  4.00  2.20 1.5

! residue 18   Leu , NOEs forward in sequence
assi (resi 18   and name HN  ) (resi 19   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HA  ) (resi 19   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HG  ) (resi 19   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HB# ) (resi 19   and name HN  )  3.00  1.20  0.30
! assi (resi 18   and name HN  ) (resi 20   and name HN  ) undef
! assi (resi 18   and name HA  ) (resi 20   and name HN  ) undef
assi (resi 18   and name HA  ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HA  ) (resi 21   and name HB# )  4.00  2.20  1.00
! assi (resi 18   and name HA  ) (resi 21   and name HD# ) undef
assi (resi 18   and name HD1#) (resi 21   and name HD# )  4.00  2.20  1.5
! assi (resi 18   and name HD# ) (resi 21   and name HE# ) undef
assi (resi 18   and name HA  ) (resi 22   and name HN  )  4.00  2.20  1.00
! assi (resi 18   and name HD# ) (resi 22   and name HG1#) undef

! residue 19   Arg , intraresidue NOEs
! trivial: assi (resi 19   and name HN  ) (resi 19   and name HA  )  4.00  2.20
 1.00
assi (resi 19   and name HN  ) (resi 19   and name HB# )  2.50  0.70  0.20
assi (resi 19   and name HA  ) (resi 19   and name HB# )  2.50  0.70  0.20

! residue 19   Arg , NOEs forward in sequence
assi (resi 19   and name HN  ) (resi 20   and name HN  )  3.00  1.20  0.30
assi (resi 19   and name HB# ) (resi 20   and name HN  )  3.00  1.20  0.30
assi (resi 19   and name HN  ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HA  ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HA  ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HA  ) (resi 23   and name HN  )  4.00  2.20  1.00

! residue 20   Asp , intraresidue NOEs
assi (resi 20   and name HN  ) (resi 20   and name HA  )  3.00  1.20  0.30
assi (resi 20   and name HN  ) (resi 20   and name HB# )  3.00  1.20  0.30
assi (resi 20   and name HA  ) (resi 20   and name HB# )  3.00  1.20  0.30

! residue 20   Asp , NOEs forward in sequence
assi (resi 20   and name HN  ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 20   and name HB# ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 20   and name HN  ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 20   and name HA  ) (resi 23   and name HN  )  3.00  1.20  0.30
assi (resi 20   and name HA  ) (resi 23   and name HB# )  4.00  2.20  1.00

! residue 21   Phe , intraresidue NOEs
assi (resi 21   and name HN  ) (resi 21   and name HA  )  3.00  1.20  0.30
assi (resi 21   and name HN  ) (resi 21   and name HB# )  2.50  0.70  0.20
assi (resi 21   and name HA  ) (resi 21   and name HB# )  2.50  0.70  0.20
assi (resi 21   and name HA  ) (resi 21   and name HD# )  3.00  1.20  0.30
assi (resi 21   and name HA  ) (resi 21   and name HE# )  4.00  2.20  1.00
assi (resi 21   and name HB# ) (resi 21   and name HD# )  2.50  0.70  0.20
! assi (resi 21   and name HD# ) (resi 21   and name HE# ) undef

! residue 21   Phe , NOEs forward in sequence
assi (resi 21   and name HN  ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HN  ) (resi 22   and name HA  )  4.00  2.20  1.00
assi (resi 21   and name HA  ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HB# ) (resi 22   and name HN  )  3.00  1.20  0.30
assi (resi 21   and name HD# ) (resi 22   and name HD1#)  4.00  2.20 1.5
assi (resi 21   and name HE# ) (resi 22   and name HA  )  4.00  2.20  1.00
assi (resi 21   and name HN  ) (resi 23   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HA  ) (resi 24   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HA  ) (resi 24   and name HB# )  3.00  1.20  0.30
assi (resi 21   and name HD# ) (resi 25   and name HB# )  4.00  2.20  1.00

! residue 22   Ile , intraresidue NOEs
! trivial: assi (resi 22   and name HN  ) (resi 22   and name HA  )  4.00  2.20
 1.00
assi (resi 22   and name HN  ) (resi 22   and name HB  )  2.50  0.70  0.20
! trivial: assi (resi 22   and name HA  ) (resi 22   and name HB  )  4.00  2.20
 1.00
assi (resi 22   and name HA  ) (resi 22   and name HG2#)  4.00  2.20 1.5
assi (resi 22   and name HA  ) (resi 22   and name HD1#)  4.00  2.20 1.5
assi (resi 22   and name HA  ) (resi 22   and name HG1#)  3.00  1.20  0.30

! residue 22   Ile , NOEs forward in sequence
assi (resi 22   and name HN  ) (resi 23   and name HN  )  2.50  0.70  0.20
assi (resi 22   and name HA  ) (resi 23   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HB  ) (resi 23   and name HN  )  3.00  1.20  0.30
assi (resi 22   and name HN  ) (resi 24   and name HN  )  4.00  2.20  1.00
! assi (resi 22   and name HA  ) (resi 24   and name HN  ) undef
assi (resi 22   and name HA  ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HA  ) (resi 25   and name HB# )  4.00  2.20  1.00
assi (resi 22   and name HA  ) (resi 25   and name HD# )  4.00  2.20  1.00
assi (resi 22   and name HB  ) (resi 25   and name HD# )  4.00  2.20  1.00
assi (resi 22   and name HG2#) (resi 25   and name HD# )  4.00  2.20 1.5
assi (resi 22   and name HD1#) (resi 25   and name HD# )  4.00  2.20 1.5
assi (resi 22   and name HG1#) (resi 25   and name HD# )  4.00  2.20  1.00
assi (resi 22   and name HA  ) (resi 26   and name HN  )  4.00  2.20  1.00

! residue 23   Glu , intraresidue NOEs
assi (resi 23   and name HN  ) (resi 23   and name HA  )  2.50  0.70  0.20
assi (resi 23   and name HN  ) (resi 23   and name HB# )  2.50  0.70  0.20
assi (resi 23   and name HN  ) (resi 23   and name HG# )  4.00  2.20  1.00
assi (resi 23   and name HA  ) (resi 23   and name HB# )  2.50  0.70  0.20
assi (resi 23   and name HA  ) (resi 23   and name HG# )  3.00  1.20  0.30

! residue 23   Glu , NOEs forward in sequence
assi (resi 23   and name HN  ) (resi 24   and name HN  )  4.00  2.20  1.00
assi (resi 23   and name HB# ) (resi 24   and name HN  )  4.00  2.20  1.00
assi (resi 23   and name HN  ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 23   and name HA  ) (resi 26   and name HN  )  4.00  2.20  1.00

! residue 24   Lys , intraresidue NOEs
assi (resi 24   and name HN  ) (resi 24   and name HA  )  3.00  1.20  0.30
assi (resi 24   and name HN  ) (resi 24   and name HB# )  3.00  1.20  0.30
assi (resi 24   and name HA  ) (resi 24   and name HB# )  2.50  0.70  0.20
assi (resi 24   and name HA  ) (resi 24   and name HG# )  4.00  2.20  1.00
assi (resi 24   and name HG# ) (resi 24   and name HD# )  2.50  0.70  0.20

! residue 24   Lys , NOEs forward in sequence
assi (resi 24   and name HN  ) (resi 25   and name HN  )  2.50  0.70  0.20
assi (resi 24   and name HA  ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HB# ) (resi 25   and name HN  )  4.00  2.20  1.00

! residue 25   Phe , intraresidue NOEs
assi (resi 25   and name HN  ) (resi 25   and name HA  )  3.00  1.20  0.30
assi (resi 25   and name HN  ) (resi 25   and name HB# )  3.00  1.20  0.30
assi (resi 25   and name HA  ) (resi 25   and name HB# )  3.00  1.20  0.30
assi (resi 25   and name HA  ) (resi 25   and name HD# )  3.00  1.20  0.30
assi (resi 25   and name HA  ) (resi 25   and name HE# )  4.00  2.20  1.00
assi (resi 25   and name HB# ) (resi 25   and name HD# )  2.50  0.70  0.20
assi (resi 25   and name HB# ) (resi 25   and name HE# )  4.00  2.20  1.00
! trivial: assi (resi 25   and name HD# ) (resi 25   and name HE# )  2.50  0.70
 0.20

! residue 25   Phe , NOEs forward in sequence
assi (resi 25   and name HN  ) (resi 26   and name HN  )  2.50  0.70  0.20
assi (resi 25   and name HA  ) (resi 26   and name HN  )  3.00  1.20  0.30
assi (resi 25   and name HB# ) (resi 26   and name HN  )  4.00  2.20  1.00
assi (resi 25   and name HD# ) (resi 26   and name HN  )  4.00  2.20  1.00
assi (resi 25   and name HA  ) (resi 27   and name HN  )  4.00  2.20  1.00
assi (resi 25   and name HE# ) (resi 27   and name HA# )  4.00  2.20  1.00
assi (resi 25   and name HN  ) (resi 28   and name HA  )  4.00  2.20  1.00

! residue 26   Lys , intraresidue NOEs
! trivial: assi (resi 26   and name HN  ) (resi 26   and name HA  )  4.00  2.20
 1.00
assi (resi 26   and name HN  ) (resi 26   and name HB# )  4.00  2.20  1.00
assi (resi 26   and name HN  ) (resi 26   and name HG# )  4.00  2.20  1.00

! residue 26   Lys , NOEs forward in sequence
assi (resi 26   and name HN  ) (resi 27   and name HN  )  3.00  1.20  0.30
assi (resi 26   and name HN  ) (resi 27   and name HA# )  4.00  2.20  1.00
assi (resi 26   and name HA  ) (resi 27   and name HN  )  3.00  1.20  0.30
assi (resi 26   and name HB# ) (resi 27   and name HN  )  4.00  2.20  1.00

! residue 27   Gly , intraresidue NOEs
assi (resi 27   and name HN  ) (resi 27   and name HA# )  2.50  0.70  0.20

! residue 27   Gly , NOEs forward in sequence
assi (resi 27   and name HN  ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 27   and name HA# ) (resi 28   and name HN  )  4.00  2.20  1.00

! residue 28   Arg , intraresidue NOEs
! trivial: assi (resi 28   and name HN  ) (resi 28   and name HA  )  4.00  2.20
 1.00
!
! number of restraints as a function of range
! including hbonds below
!|i-j| = 0 :  97
!|i-j| = 1 :  83
!|i-j| = 2 :  21
!|i-j| = 3 :  27
!|i-j| = 4 :  11
!|i-j| > 4 :  45
!total     : 284
!
! Hydrogen bond distance restraints
! based on initial structure calculations without hbond restraints
! and slow HX
assi (resi 3    and name O   ) (resi 12   and name HN  )  2.00  0.30  0.40
assi (resi 3    and name O   ) (resi 12   and name N   )  3.00  0.50  0.40
assi (resi 12   and name O   ) (resi  3   and name HN  )  2.00  0.30  0.40
assi (resi 12   and name O   ) (resi  3   and name N   )  3.00  0.50  0.40
assi (resi 14   and name O   ) (resi 18   and name HN  )  2.00  0.30  0.40
assi (resi 14   and name O   ) (resi 18   and name N   )  3.00  0.50  0.40
assi (resi 17   and name O   ) (resi 21   and name HN  )  2.00  0.30  0.40
assi (resi 17   and name O   ) (resi 21   and name N   )  3.00  0.50  0.40
assi (resi 21   and name O   ) (resi 25   and name HN  )  2.00  0.30  0.40
assi (resi 21   and name O   ) (resi 25   and name N   )  3.00  0.50  0.40


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    GLN   1          3HT       GLN   1 -12.198   0.890   0.890
    2   2H    GLN   1          2HT       GLN   1 -12.328   1.066   1.066
    3   3H    GLN   1          1HT       GLN   1 -13.616   0.405   0.405
    4    HA   GLN   1           HA       GLN   1 -14.067   2.493   2.493
    5   1HB   GLN   1          2HB       GLN   1 -14.518   1.802   1.802
    6   2HB   GLN   1          1HB       GLN   1 -13.619   3.298   3.298
    7   1HG   GLN   1          2HG       GLN   1 -15.989   3.082   3.082
    8   2HG   GLN   1          1HG       GLN   1 -16.128   3.596   3.596
    9   1HE2  GLN   1          2HE2      GLN   1 -15.568   6.562   6.562
   10   2HE2  GLN   1          1HE2      GLN   1 -16.643   5.251   5.251
   11    H    GLN   2           H        GLN   2 -11.398   2.873   2.873
   12    HA   GLN   2           HA       GLN   2 -10.611   5.494   5.494
   13   1HB   GLN   2          2HB       GLN   2  -9.243   3.239   3.239
   14   2HB   GLN   2          1HB       GLN   2  -8.476   4.808   4.808
   15   1HG   GLN   2          2HG       GLN   2  -9.541   5.476   5.476
   16   2HG   GLN   2          1HG       GLN   2 -11.020   5.473   5.473
   17   1HE2  GLN   2          2HE2      GLN   2 -12.409   2.891   2.891
   18   2HE2  GLN   2          1HE2      GLN   2 -12.648   4.269   4.269
   19    H    TYR   3           H        TYR   3  -8.416   2.693   2.693
   20    HA   TYR   3           HA       TYR   3  -7.809   3.567   3.567
   21   1HB   TYR   3          2HB       TYR   3  -6.135   2.606   2.606
   22   2HB   TYR   3          1HB       TYR   3  -5.551   2.422   2.422
   23    HD1  TYR   3          2HD       TYR   3  -7.207   4.993   4.993
   24    HD2  TYR   3          1HD       TYR   3  -4.306   4.179   4.179
   25    HE1  TYR   3          2HE       TYR   3  -6.596   7.398   7.398
   26    HE2  TYR   3          1HE       TYR   3  -3.698   6.577   6.577
   27    HH   TYR   3           HH       TYR   3  -5.247   8.891   8.891
   28    H    THR   4           H        THR   4  -8.543   2.119   2.119
   29    HA   THR   4           HA       THR   4  -9.330  -0.586  -0.586
   30    HB   THR   4           HB       THR   4  -8.870   0.547   0.547
   31    HG1  THR   4          1HG       THR   4 -10.672   1.718   1.718
   32   1HG2  THR   4          3HG2      THR   4  -9.763  -1.886  -1.886
   33   2HG2  THR   4          2HG2      THR   4 -11.288  -1.001  -1.001
   34   3HG2  THR   4          1HG2      THR   4 -10.343  -1.060  -1.060
   35    H    ALA   5           H        ALA   5  -6.275   0.707   0.707
   36    HA   ALA   5           HA       ALA   5  -5.033  -1.206  -1.206
   37   1HB   ALA   5          2HB       ALA   5  -4.318   1.098   1.098
   38   2HB   ALA   5          1HB       ALA   5  -3.529  -0.038  -0.038
   39   3HB   ALA   5          3HB       ALA   5  -3.128  -0.045  -0.045
   40    H    LYS   6           H        LYS   6  -6.069  -3.249  -3.249
   41    HA   LYS   6           HA       LYS   6  -5.360  -4.217  -4.217
   42   1HB   LYS   6          2HB       LYS   6  -6.477  -6.268  -6.268
   43   2HB   LYS   6          1HB       LYS   6  -7.435  -4.841  -4.841
   44   1HG   LYS   6          2HG       LYS   6  -5.820  -5.046  -5.046
   45   2HG   LYS   6          1HG       LYS   6  -6.068  -6.740  -6.740
   46   1HD   LYS   6          2HD       LYS   6  -8.307  -4.717  -4.717
   47   2HD   LYS   6          1HD       LYS   6  -7.813  -5.841  -5.841
   48   1HE   LYS   6          2HE       LYS   6  -8.482  -6.900  -6.900
   49   2HE   LYS   6          1HE       LYS   6  -9.780  -6.541  -6.541
   50   1HZ   LYS   6          1HZ       LYS   6  -7.381  -8.188  -8.188
   51   2HZ   LYS   6          3HZ       LYS   6  -8.910  -8.822  -8.822
   52   3HZ   LYS   6          2HZ       LYS   6  -8.693  -7.894  -7.894
   53    H    ILE   7           H        ILE   7  -2.963  -3.583  -3.583
   54    HA   ILE   7           HA       ILE   7  -1.432  -5.120  -5.120
   55    HB   ILE   7           HB       ILE   7  -0.558  -3.164  -3.164
   56   1HG1  ILE   7          2HG1      ILE   7   1.016  -5.407  -5.407
   57   2HG1  ILE   7          1HG1      ILE   7   1.093  -4.995  -4.995
   58   1HG2  ILE   7          2HG2      ILE   7  -1.683  -4.205  -4.205
   59   2HG2  ILE   7          1HG2      ILE   7   0.001  -3.758  -3.758
   60   3HG2  ILE   7          3HG2      ILE   7  -1.139  -2.567  -2.567
   61   1HD1  ILE   7          3HD1      ILE   7   1.506  -2.874  -2.874
   62   2HD1  ILE   7          2HD1      ILE   7   2.836  -3.937  -3.937
   63   3HD1  ILE   7          1HD1      ILE   7   2.067  -2.905  -2.905
   64    H    LYS   8           H        LYS   8  -0.536  -5.853  -5.853
   65    HA   LYS   8           HA       LYS   8  -0.212  -8.625  -8.625
   66   1HB   LYS   8          2HB       LYS   8   0.614  -6.875  -6.875
   67   2HB   LYS   8          1HB       LYS   8  -0.643  -7.711  -7.711
   68   1HG   LYS   8          2HG       LYS   8   1.487  -9.193  -9.193
   69   2HG   LYS   8          1HG       LYS   8   1.717  -8.713  -8.713
   70   1HD   LYS   8          2HD       LYS   8   0.483 -10.452 -10.452
   71   2HD   LYS   8          1HD       LYS   8  -0.870  -9.972  -9.972
   72   1HE   LYS   8          2HE       LYS   8   0.682 -11.034 -11.034
   73   2HE   LYS   8          1HE       LYS   8   1.282 -11.975 -11.975
   74   1HZ   LYS   8          3HZ       LYS   8  -1.597 -11.566 -11.566
   75   2HZ   LYS   8          2HZ       LYS   8  -0.722 -12.947 -12.947
   76   3HZ   LYS   8          1HZ       LYS   8  -0.938 -12.587 -12.587
   77    H    GLY   9           H        GLY   9  -2.895  -6.693  -6.693
   78   1HA   GLY   9          2HA       GLY   9  -5.086  -8.024  -8.024
   79   2HA   GLY   9          1HA       GLY   9  -4.474  -9.126  -9.126
   80    H    ARG  10           H        ARG  10  -4.766  -5.552  -5.552
   81    HA   ARG  10           HA       ARG  10  -6.571  -5.466  -5.466
   82   1HB   ARG  10          2HB       ARG  10  -4.888  -3.925  -3.925
   83   2HB   ARG  10          1HB       ARG  10  -4.601  -5.663  -5.663
   84   1HG   ARG  10          2HG       ARG  10  -3.281  -4.607  -4.607
   85   2HG   ARG  10          1HG       ARG  10  -2.855  -3.604  -3.604
   86   1HD   ARG  10          2HD       ARG  10  -2.532  -6.623  -6.623
   87   2HD   ARG  10          1HD       ARG  10  -1.238  -5.414  -5.414
   88    HE   ARG  10           HE       ARG  10  -2.800  -6.387  -6.387
   89   1HH1  ARG  10          1HH2      ARG  10  -1.091  -3.616  -3.616
   90   2HH1  ARG  10          2HH2      ARG  10  -0.869  -2.909  -2.909
   91   1HH2  ARG  10          1HH1      ARG  10  -2.483  -5.441  -5.441
   92   2HH2  ARG  10          2HH1      ARG  10  -1.644  -3.931  -3.931
   93    H    THR  11           H        THR  11  -7.736  -3.584  -3.584
   94    HA   THR  11           HA       THR  11  -7.364  -1.612  -1.612
   95    HB   THR  11           HB       THR  11  -9.289  -1.731  -1.731
   96    HG1  THR  11          1HG       THR  11  -9.452  -3.552  -3.552
   97   1HG2  THR  11          2HG2      THR  11  -8.833   0.411   0.411
   98   2HG2  THR  11          1HG2      THR  11  -9.970  -0.443  -0.443
   99   3HG2  THR  11          3HG2      THR  11 -10.443   0.007   0.007
  100    H    PHE  12           H        PHE  12  -6.076   0.198   0.198
  101    HA   PHE  12           HA       PHE  12  -4.963   0.637   0.637
  102   1HB   PHE  12          2HB       PHE  12  -4.462   1.680   1.680
  103   2HB   PHE  12          1HB       PHE  12  -3.628   2.351   2.351
  104    HD1  PHE  12          2HD       PHE  12  -4.490  -0.995  -0.995
  105    HD2  PHE  12          1HD       PHE  12  -1.640   1.364   1.364
  106    HE1  PHE  12          2HE       PHE  12  -2.899  -2.876  -2.876
  107    HE2  PHE  12          1HE       PHE  12  -0.051  -0.540  -0.540
  108   1HZ   PHE  12           HZ       PHE  12  -0.681  -2.659  -2.659
  109    H    ARG  13           H        ARG  13  -5.015   2.729   2.729
  110    HA   ARG  13           HA       ARG  13  -7.597   4.108   4.108
  111   1HB   ARG  13          2HB       ARG  13  -6.134   3.423   3.423
  112   2HB   ARG  13          1HB       ARG  13  -5.353   4.975   4.975
  113   1HG   ARG  13          2HG       ARG  13  -7.924   5.751   5.751
  114   2HG   ARG  13          1HG       ARG  13  -8.123   4.400   4.400
  115   1HD   ARG  13          2HD       ARG  13  -6.103   5.479   5.479
  116   2HD   ARG  13          1HD       ARG  13  -6.555   6.943   6.943
  117    HE   ARG  13           HE       ARG  13  -8.979   6.045   6.045
  118   1HH1  ARG  13          1HH2      ARG  13  -5.908   6.671   6.671
  119   2HH1  ARG  13          2HH2      ARG  13  -6.644   7.065   7.065
  120   1HH2  ARG  13          1HH1      ARG  13  -9.886   6.567   6.567
  121   2HH2  ARG  13          2HH1      ARG  13  -8.871   7.009   7.009
  122    H    ASN  14           H        ASN  14  -4.143   4.899   4.899
  123    HA   ASN  14           HA       ASN  14  -4.965   7.253   7.253
  124   1HB   ASN  14          2HB       ASN  14  -3.216   8.564   8.564
  125   2HB   ASN  14          1HB       ASN  14  -4.375   7.939   7.939
  126   1HD2  ASN  14          2HD2      ASN  14  -1.975   5.977   5.977
  127   2HD2  ASN  14          1HD2      ASN  14  -3.593   6.484   6.484
  128    H    GLU  15           H        GLU  15  -3.248   7.946   7.946
  129    HA   GLU  15           HA       GLU  15  -2.009   5.792   5.792
  130   1HB   GLU  15          2HB       GLU  15  -2.688   8.050   8.050
  131   2HB   GLU  15          1HB       GLU  15  -1.328   8.744   8.744
  132   1HG   GLU  15          2HG       GLU  15   0.267   7.563   7.563
  133   2HG   GLU  15          1HG       GLU  15  -0.977   6.522   6.522
  134    H    LYS  16           H        LYS  16  -0.800   8.064   8.064
  135    HA   LYS  16           HA       LYS  16   1.961   7.686   7.686
  136   1HB   LYS  16          2HB       LYS  16  -0.037   8.573   8.573
  137   2HB   LYS  16          1HB       LYS  16   1.258   7.729   7.729
  138   1HG   LYS  16          2HG       LYS  16   2.925   9.188   9.188
  139   2HG   LYS  16          1HG       LYS  16   1.715   9.945   9.945
  140   1HD   LYS  16          2HD       LYS  16   0.525  10.402  10.402
  141   2HD   LYS  16          1HD       LYS  16   2.186  10.294  10.294
  142   1HE   LYS  16          2HE       LYS  16   2.802  11.958  11.958
  143   2HE   LYS  16          1HE       LYS  16   1.058  12.230  12.230
  144   1HZ   LYS  16          3HZ       LYS  16   2.481  12.356  12.356
  145   2HZ   LYS  16          2HZ       LYS  16   2.144  13.724  13.724
  146   3HZ   LYS  16          1HZ       LYS  16   0.873  12.796  12.796
  147    H    GLU  17           H        GLU  17  -0.320   5.732   5.732
  148    HA   GLU  17           HA       GLU  17   1.663   3.816   3.816
  149   1HB   GLU  17          2HB       GLU  17  -0.820   4.407   4.407
  150   2HB   GLU  17          1HB       GLU  17  -1.236   3.112   3.112
  151   1HG   GLU  17          2HG       GLU  17  -0.932   1.943   1.943
  152   2HG   GLU  17          1HG       GLU  17   0.648   1.783   1.783
  153    H    LEU  18           H        LEU  18  -0.821   3.685   3.685
  154    HA   LEU  18           HA       LEU  18  -0.119   1.155   1.155
  155   1HB   LEU  18          2HB       LEU  18  -2.115   2.458   2.458
  156   2HB   LEU  18          1HB       LEU  18  -1.099   3.719   3.719
  157    HG   LEU  18           HG       LEU  18  -0.261   2.138   2.138
  158   1HD1  LEU  18          2HD1      LEU  18  -2.097   0.185   0.185
  159   2HD1  LEU  18          1HD1      LEU  18  -1.414  -0.106  -0.106
  160   3HD1  LEU  18          3HD1      LEU  18  -0.349   0.045   0.045
  161   1HD2  LEU  18          2HD2      LEU  18  -2.453   3.445   3.445
  162   2HD2  LEU  18          1HD2      LEU  18  -2.228   2.067   2.067
  163   3HD2  LEU  18          3HD2      LEU  18  -3.272   1.920   1.920
  164    H    ARG  19           H        ARG  19   1.460   4.272   4.272
  165    HA   ARG  19           HA       ARG  19   3.323   3.512   3.512
  166   1HB   ARG  19          2HB       ARG  19   2.459   5.819   5.819
  167   2HB   ARG  19          1HB       ARG  19   3.140   5.890   5.890
  168   1HG   ARG  19          2HG       ARG  19   5.332   5.999   5.999
  169   2HG   ARG  19          1HG       ARG  19   4.937   5.210   5.210
  170   1HD   ARG  19          2HD       ARG  19   3.655   7.858   7.858
  171   2HD   ARG  19          1HD       ARG  19   5.363   7.838   7.838
  172    HE   ARG  19           HE       ARG  19   3.115   7.152   7.152
  173   1HH1  ARG  19          1HH2      ARG  19   6.474   6.453   6.453
  174   2HH1  ARG  19          2HH2      ARG  19   6.788   5.902   5.902
  175   1HH2  ARG  19          1HH1      ARG  19   3.564   6.428   6.428
  176   2HH2  ARG  19          2HH1      ARG  19   5.160   5.888   5.888
  177    H    ASP  20           H        ASP  20   3.176   3.718   3.718
  178    HA   ASP  20           HA       ASP  20   6.053   3.126   3.126
  179   1HB   ASP  20          2HB       ASP  20   4.300   4.504   4.504
  180   2HB   ASP  20          1HB       ASP  20   4.044   2.920   2.920
  181    H    PHE  21           H        PHE  21   3.495   1.252   1.252
  182    HA   PHE  21           HA       PHE  21   4.020  -1.121  -1.121
  183   1HB   PHE  21          2HB       PHE  21   1.773  -0.429  -0.429
  184   2HB   PHE  21          1HB       PHE  21   2.396  -0.772  -0.772
  185    HD1  PHE  21          2HD       PHE  21   3.196  -3.068  -3.068
  186    HD2  PHE  21          1HD       PHE  21   1.112  -2.194  -2.194
  187    HE1  PHE  21          2HE       PHE  21   2.770  -5.491  -5.491
  188    HE2  PHE  21          1HE       PHE  21   0.703  -4.612  -4.612
  189   1HZ   PHE  21           HZ       PHE  21   1.524  -6.261  -6.261
  190    H    ILE  22           H        ILE  22   4.316  -0.171  -0.171
  191    HA   ILE  22           HA       ILE  22   5.724  -2.459  -2.459
  192    HB   ILE  22           HB       ILE  22   5.412   0.380   0.380
  193   1HG1  ILE  22          2HG1      ILE  22   4.862  -1.952  -1.952
  194   2HG1  ILE  22          1HG1      ILE  22   3.888  -1.853  -1.853
  195   1HG2  ILE  22          3HG2      ILE  22   7.354  -1.630  -1.630
  196   2HG2  ILE  22          2HG2      ILE  22   6.593  -0.427  -0.427
  197   3HG2  ILE  22          1HG2      ILE  22   7.606   0.089   0.089
  198   1HD1  ILE  22          3HD1      ILE  22   3.460   0.592   0.592
  199   2HD1  ILE  22          2HD1      ILE  22   4.115   0.173   0.173
  200   3HD1  ILE  22          1HD1      ILE  22   2.667  -0.636  -0.636
  201    H    GLU  23           H        GLU  23   6.800   0.417   0.417
  202    HA   GLU  23           HA       GLU  23   9.624   0.107   0.107
  203   1HB   GLU  23          2HB       GLU  23   7.909   1.299   1.299
  204   2HB   GLU  23          1HB       GLU  23   9.660   1.499   1.499
  205   1HG   GLU  23          2HG       GLU  23   9.462   2.572   2.572
  206   2HG   GLU  23          1HG       GLU  23   7.716   2.322   2.322
  207    H    LYS  24           H        LYS  24   7.330  -1.091  -1.091
  208    HA   LYS  24           HA       LYS  24   9.416  -2.778  -2.778
  209   1HB   LYS  24          2HB       LYS  24   6.649  -1.792  -1.792
  210   2HB   LYS  24          1HB       LYS  24   7.229  -3.235  -3.235
  211   1HG   LYS  24          2HG       LYS  24   9.177  -1.020  -1.020
  212   2HG   LYS  24          1HG       LYS  24   7.702  -0.659  -0.659
  213   1HD   LYS  24          2HD       LYS  24   8.991  -3.314  -3.314
  214   2HD   LYS  24          1HD       LYS  24   9.766  -1.893  -1.893
  215   1HE   LYS  24          2HE       LYS  24   6.870  -1.845  -1.845
  216   2HE   LYS  24          1HE       LYS  24   7.623  -3.289  -3.289
  217   1HZ   LYS  24          1HZ       LYS  24   9.329  -1.848  -1.848
  218   2HZ   LYS  24          3HZ       LYS  24   8.524  -0.481  -0.481
  219   3HZ   LYS  24          2HZ       LYS  24   7.777  -1.458  -1.458
  220    H    PHE  25           H        PHE  25   7.926  -3.179  -3.179
  221    HA   PHE  25           HA       PHE  25   6.693  -5.857  -5.857
  222   1HB   PHE  25          2HB       PHE  25   5.430  -4.132  -4.132
  223   2HB   PHE  25          1HB       PHE  25   6.778  -3.836  -3.836
  224    HD1  PHE  25          1HD       PHE  25   5.655  -7.235  -7.235
  225    HD2  PHE  25          2HD       PHE  25   5.617  -4.166  -4.166
  226    HE1  PHE  25          1HE       PHE  25   4.722  -8.855  -8.855
  227    HE2  PHE  25          2HE       PHE  25   4.692  -5.792  -5.792
  228   1HZ   PHE  25           HZ       PHE  25   4.243  -8.133  -8.133
  229    H    LYS  26           H        LYS  26   9.735  -4.697  -4.697
  230    HA   LYS  26           HA       LYS  26  11.679  -5.672  -5.672
  231   1HB   LYS  26          2HB       LYS  26  10.492  -7.682  -7.682
  232   2HB   LYS  26          1HB       LYS  26  10.018  -8.155  -8.155
  233   1HG   LYS  26          2HG       LYS  26  12.033  -9.290  -9.290
  234   2HG   LYS  26          1HG       LYS  26  12.591  -7.769  -7.769
  235   1HD   LYS  26          2HD       LYS  26  14.043  -7.925  -7.925
  236   2HD   LYS  26          1HD       LYS  26  12.718  -7.050  -7.050
  237   1HE   LYS  26          2HE       LYS  26  11.788  -9.200  -9.200
  238   2HE   LYS  26          1HE       LYS  26  13.162 -10.056 -10.056
  239   1HZ   LYS  26          2HZ       LYS  26  14.656  -8.604  -8.604
  240   2HZ   LYS  26          1HZ       LYS  26  13.315  -7.896  -7.896
  241   3HZ   LYS  26          3HZ       LYS  26  13.666  -9.536  -9.536
  242    H    GLY  27           H        GLY  27   9.625  -4.299  -4.299
  243   1HA   GLY  27          2HA       GLY  27  10.384  -5.410  -5.410
  244   2HA   GLY  27          1HA       GLY  27   8.723  -4.910  -4.910
  245    H    ARG  28           H        ARG  28   9.216  -2.592  -2.592
  246    HA   ARG  28           HA       ARG  28   9.571  -0.288  -0.288
  247   1HB   ARG  28          2HB       ARG  28  11.922  -1.420  -1.420
  248   2HB   ARG  28          1HB       ARG  28  11.994  -1.091  -1.091
  249   1HG   ARG  28          2HG       ARG  28  11.196   1.328   1.328
  250   2HG   ARG  28          1HG       ARG  28  12.001   0.818   0.818
  251   1HD   ARG  28          2HD       ARG  28  13.315   0.657   0.657
  252   2HD   ARG  28          1HD       ARG  28  13.527   2.025   2.025
  253    HE   ARG  28           HE       ARG  28  14.009  -0.267  -0.267
  254   1HH1  ARG  28          1HH2      ARG  28  15.377   1.203   1.203
  255   2HH1  ARG  28          2HH2      ARG  28  16.955   0.565   0.565
  256   1HH2  ARG  28          1HH1      ARG  28  16.067  -1.072  -1.072
  257   2HH2  ARG  28          2HH1      ARG  28  17.344  -0.710  -0.710

  Start of MODEL    2
    1   1H    GLN   1          3HT       GLN   1 -10.161   9.057   9.057
    2   2H    GLN   1          2HT       GLN   1  -8.961   9.934   9.934
    3   3H    GLN   1          1HT       GLN   1  -8.526   8.654   8.654
    4    HA   GLN   1           HA       GLN   1  -8.345   7.847   7.847
    5   1HB   GLN   1          2HB       GLN   1 -10.741   9.555   9.555
    6   2HB   GLN   1          1HB       GLN   1 -10.886   8.053   8.053
    7   1HG   GLN   1          2HG       GLN   1  -8.382   8.768   8.768
    8   2HG   GLN   1          1HG       GLN   1  -9.073  10.367  10.367
    9   1HE2  GLN   1          2HE2      GLN   1 -10.475  10.251  10.251
   10   2HE2  GLN   1          1HE2      GLN   1  -9.528  11.102  11.102
   11    H    GLN   2           H        GLN   2  -8.804   6.588   6.588
   12    HA   GLN   2           HA       GLN   2 -10.109   4.159   4.159
   13   1HB   GLN   2          2HB       GLN   2 -11.911   6.084   6.084
   14   2HB   GLN   2          1HB       GLN   2 -11.616   5.418   5.418
   15   1HG   GLN   2          2HG       GLN   2 -13.288   3.983   3.983
   16   2HG   GLN   2          1HG       GLN   2 -11.893   3.110   3.110
   17   1HE2  GLN   2          2HE2      GLN   2 -13.048   3.371   3.371
   18   2HE2  GLN   2          1HE2      GLN   2 -12.112   2.535   2.535
   19    H    TYR   3           H        TYR   3  -8.265   3.195   3.195
   20    HA   TYR   3           HA       TYR   3  -7.666   3.614   3.614
   21   1HB   TYR   3          2HB       TYR   3  -6.070   2.565   2.565
   22   2HB   TYR   3          1HB       TYR   3  -5.450   2.645   2.645
   23    HD1  TYR   3          2HD       TYR   3  -6.980   4.694   4.694
   24    HD2  TYR   3          1HD       TYR   3  -4.567   4.666   4.666
   25    HE1  TYR   3          2HE       TYR   3  -6.521   7.093   7.093
   26    HE2  TYR   3          1HE       TYR   3  -4.089   7.081   7.081
   27    HH   TYR   3           HH       TYR   3  -5.553   9.087   9.087
   28    H    THR   4           H        THR   4  -8.555   2.089   2.089
   29    HA   THR   4           HA       THR   4  -9.340  -0.547  -0.547
   30    HB   THR   4           HB       THR   4  -9.195   0.558   0.558
   31    HG1  THR   4          1HG       THR   4 -11.357   1.180   1.180
   32   1HG2  THR   4          1HG2      THR   4 -10.735  -1.694  -1.694
   33   2HG2  THR   4          3HG2      THR   4 -11.179  -1.017  -1.017
   34   3HG2  THR   4          2HG2      THR   4  -9.611  -1.794  -1.794
   35    H    ALA   5           H        ALA   5  -6.382   0.711   0.711
   36    HA   ALA   5           HA       ALA   5  -5.278  -1.291  -1.291
   37   1HB   ALA   5          2HB       ALA   5  -4.470   1.059   1.059
   38   2HB   ALA   5          1HB       ALA   5  -3.576  -0.057  -0.057
   39   3HB   ALA   5          3HB       ALA   5  -3.346  -0.097  -0.097
   40    H    LYS   6           H        LYS   6  -6.042  -3.366  -3.366
   41    HA   LYS   6           HA       LYS   6  -5.250  -4.201  -4.201
   42   1HB   LYS   6          2HB       LYS   6  -6.341  -6.319  -6.319
   43   2HB   LYS   6          1HB       LYS   6  -7.367  -4.922  -4.922
   44   1HG   LYS   6          2HG       LYS   6  -5.716  -5.293  -5.293
   45   2HG   LYS   6          1HG       LYS   6  -6.366  -6.873  -6.873
   46   1HD   LYS   6          2HD       LYS   6  -8.550  -5.150  -5.150
   47   2HD   LYS   6          1HD       LYS   6  -7.733  -4.561  -4.561
   48   1HE   LYS   6          2HE       LYS   6  -8.884  -6.222  -6.222
   49   2HE   LYS   6          1HE       LYS   6  -7.673  -7.309  -7.309
   50   1HZ   LYS   6          3HZ       LYS   6  -9.059  -7.424  -7.424
   51   2HZ   LYS   6          2HZ       LYS   6 -10.249  -6.489  -6.489
   52   3HZ   LYS   6          1HZ       LYS   6  -9.864  -8.036  -8.036
   53    H    ILE   7           H        ILE   7  -2.906  -3.567  -3.567
   54    HA   ILE   7           HA       ILE   7  -1.398  -5.111  -5.111
   55    HB   ILE   7           HB       ILE   7  -0.773  -3.766  -3.766
   56   1HG1  ILE   7          2HG1      ILE   7   0.170  -2.798  -2.798
   57   2HG1  ILE   7          1HG1      ILE   7  -1.556  -2.665  -2.665
   58   1HG2  ILE   7          1HG2      ILE   7   0.938  -5.530  -5.530
   59   2HG2  ILE   7          3HG2      ILE   7   1.581  -3.888  -3.888
   60   3HG2  ILE   7          2HG2      ILE   7   1.285  -4.662  -4.662
   61   1HD1  ILE   7          1HD1      ILE   7   0.619  -1.651  -1.651
   62   2HD1  ILE   7          3HD1      ILE   7  -0.246  -0.638  -0.638
   63   3HD1  ILE   7          2HD1      ILE   7  -1.118  -1.401  -1.401
   64    H    LYS   8           H        LYS   8  -0.419  -5.713  -5.713
   65    HA   LYS   8           HA       LYS   8  -0.004  -8.495  -8.495
   66   1HB   LYS   8          2HB       LYS   8   0.950  -6.805  -6.805
   67   2HB   LYS   8          1HB       LYS   8  -0.476  -7.214  -7.214
   68   1HG   LYS   8          2HG       LYS   8   1.331  -9.350  -9.350
   69   2HG   LYS   8          1HG       LYS   8   1.660  -8.595  -8.595
   70   1HD   LYS   8          2HD       LYS   8  -1.027  -9.199  -9.199
   71   2HD   LYS   8          1HD       LYS   8  -0.406 -10.560 -10.560
   72   1HE   LYS   8          2HE       LYS   8   1.110  -9.666  -9.666
   73   2HE   LYS   8          1HE       LYS   8  -0.338 -10.675 -10.675
   74   1HZ   LYS   8          3HZ       LYS   8   0.588 -12.182 -12.182
   75   2HZ   LYS   8          2HZ       LYS   8   2.016 -11.262 -11.262
   76   3HZ   LYS   8          1HZ       LYS   8   1.560 -12.097 -12.097
   77    H    GLY   9           H        GLY   9  -2.827  -6.663  -6.663
   78   1HA   GLY   9          2HA       GLY   9  -4.968  -8.005  -8.005
   79   2HA   GLY   9          1HA       GLY   9  -4.285  -9.167  -9.167
   80    H    ARG  10           H        ARG  10  -4.571  -5.596  -5.596
   81    HA   ARG  10           HA       ARG  10  -6.213  -5.669  -5.669
   82   1HB   ARG  10          2HB       ARG  10  -4.476  -4.041  -4.041
   83   2HB   ARG  10          1HB       ARG  10  -4.115  -5.765  -5.765
   84   1HG   ARG  10          2HG       ARG  10  -3.099  -4.654  -4.654
   85   2HG   ARG  10          1HG       ARG  10  -2.558  -3.644  -3.644
   86   1HD   ARG  10          2HD       ARG  10  -2.219  -6.662  -6.662
   87   2HD   ARG  10          1HD       ARG  10  -0.936  -5.456  -5.456
   88    HE   ARG  10           HE       ARG  10  -2.088  -6.259  -6.259
   89   1HH1  ARG  10          1HH2      ARG  10  -0.632  -3.601  -3.601
   90   2HH1  ARG  10          2HH2      ARG  10  -0.081  -2.824  -2.824
   91   1HH2  ARG  10          1HH1      ARG  10  -1.352  -5.217  -5.217
   92   2HH2  ARG  10          2HH1      ARG  10  -0.483  -3.725  -3.725
   93    H    THR  11           H        THR  11  -7.312  -3.746  -3.746
   94    HA   THR  11           HA       THR  11  -7.424  -1.783  -1.783
   95    HB   THR  11           HB       THR  11  -8.837  -1.981  -1.981
   96    HG1  THR  11          1HG       THR  11  -9.257  -3.729  -3.729
   97   1HG2  THR  11          3HG2      THR  11  -9.034  -0.116  -0.116
   98   2HG2  THR  11          2HG2      THR  11 -10.539  -0.605  -0.605
   99   3HG2  THR  11          1HG2      THR  11  -9.280   0.196   0.196
  100    H    PHE  12           H        PHE  12  -6.116   0.058   0.058
  101    HA   PHE  12           HA       PHE  12  -4.519   0.491   0.491
  102   1HB   PHE  12          2HB       PHE  12  -4.504   1.511   1.511
  103   2HB   PHE  12          1HB       PHE  12  -3.435   2.186   2.186
  104    HD1  PHE  12          1HD       PHE  12  -4.570  -1.160  -1.160
  105    HD2  PHE  12          2HD       PHE  12  -1.360   1.186   1.186
  106    HE1  PHE  12          1HE       PHE  12  -3.025  -3.053  -3.053
  107    HE2  PHE  12          2HE       PHE  12   0.183  -0.730  -0.730
  108   1HZ   PHE  12           HZ       PHE  12  -0.654  -2.850  -2.850
  109    H    ARG  13           H        ARG  13  -4.954   2.049   2.049
  110    HA   ARG  13           HA       ARG  13  -7.328   3.627   3.627
  111   1HB   ARG  13          2HB       ARG  13  -4.762   3.485   3.485
  112   2HB   ARG  13          1HB       ARG  13  -5.792   4.894   4.894
  113   1HG   ARG  13          2HG       ARG  13  -7.585   3.597   3.597
  114   2HG   ARG  13          1HG       ARG  13  -6.946   2.114   2.114
  115   1HD   ARG  13          2HD       ARG  13  -5.659   1.677   1.677
  116   2HD   ARG  13          1HD       ARG  13  -5.101   3.359   3.359
  117    HE   ARG  13           HE       ARG  13  -7.898   3.151   3.151
  118   1HH1  ARG  13          1HH2      ARG  13  -4.663   2.599   2.599
  119   2HH1  ARG  13          2HH2      ARG  13  -5.138   2.826   2.826
  120   1HH2  ARG  13          1HH1      ARG  13  -8.464   3.436   3.436
  121   2HH2  ARG  13          2HH1      ARG  13  -7.266   3.295   3.295
  122    H    ASN  14           H        ASN  14  -3.936   4.691   4.691
  123    HA   ASN  14           HA       ASN  14  -4.997   7.048   7.048
  124   1HB   ASN  14          2HB       ASN  14  -3.087   8.283   8.283
  125   2HB   ASN  14          1HB       ASN  14  -4.145   7.616   7.616
  126   1HD2  ASN  14          2HD2      ASN  14  -1.653   5.502   5.502
  127   2HD2  ASN  14          1HD2      ASN  14  -3.259   6.040   6.040
  128    H    GLU  15           H        GLU  15  -3.133   8.037   8.037
  129    HA   GLU  15           HA       GLU  15  -2.185   6.013   6.013
  130   1HB   GLU  15          2HB       GLU  15  -2.963   8.309   8.309
  131   2HB   GLU  15          1HB       GLU  15  -1.568   8.968   8.968
  132   1HG   GLU  15          2HG       GLU  15  -0.267   7.269   7.269
  133   2HG   GLU  15          1HG       GLU  15  -1.685   7.546   7.546
  134    H    LYS  16           H        LYS  16  -0.687   8.064   8.064
  135    HA   LYS  16           HA       LYS  16   2.037   7.652   7.652
  136   1HB   LYS  16          2HB       LYS  16   0.560   7.831   7.831
  137   2HB   LYS  16          1HB       LYS  16   2.297   8.059   8.059
  138   1HG   LYS  16          2HG       LYS  16   1.737   9.872   9.872
  139   2HG   LYS  16          1HG       LYS  16   0.072   9.761   9.761
  140   1HD   LYS  16          2HD       LYS  16   1.230   9.999   9.999
  141   2HD   LYS  16          1HD       LYS  16   2.507  10.760  10.760
  142   1HE   LYS  16          2HE       LYS  16  -0.330  11.609  11.609
  143   2HE   LYS  16          1HE       LYS  16   0.520  12.237  12.237
  144   1HZ   LYS  16          3HZ       LYS  16   1.650  12.242  12.242
  145   2HZ   LYS  16          2HZ       LYS  16   0.886  13.583  13.583
  146   3HZ   LYS  16          1HZ       LYS  16   2.320  12.966  12.966
  147    H    GLU  17           H        GLU  17  -0.178   5.572   5.572
  148    HA   GLU  17           HA       GLU  17   1.858   3.582   3.582
  149   1HB   GLU  17          2HB       GLU  17  -0.839   4.155   4.155
  150   2HB   GLU  17          1HB       GLU  17  -0.877   2.573   2.573
  151   1HG   GLU  17          2HG       GLU  17   0.385   1.572   1.572
  152   2HG   GLU  17          1HG       GLU  17   1.262   3.055   3.055
  153    H    LEU  18           H        LEU  18  -0.618   3.996   3.996
  154    HA   LEU  18           HA       LEU  18  -0.212   1.532   1.532
  155   1HB   LEU  18          2HB       LEU  18  -2.111   3.092   3.092
  156   2HB   LEU  18          1HB       LEU  18  -1.009   4.309   4.309
  157    HG   LEU  18           HG       LEU  18  -0.437   2.817   2.817
  158   1HD1  LEU  18          2HD1      LEU  18  -2.497   0.969   0.969
  159   2HD1  LEU  18          1HD1      LEU  18  -1.742   0.734   0.734
  160   3HD1  LEU  18          3HD1      LEU  18  -0.765   0.660   0.660
  161   1HD2  LEU  18          3HD2      LEU  18  -2.555   4.361   4.361
  162   2HD2  LEU  18          2HD2      LEU  18  -2.384   3.229   3.229
  163   3HD2  LEU  18          1HD2      LEU  18  -3.437   2.834   2.834
  164    H    ARG  19           H        ARG  19   1.716   4.415   4.415
  165    HA   ARG  19           HA       ARG  19   3.433   3.656   3.656
  166   1HB   ARG  19          2HB       ARG  19   2.975   6.142   6.142
  167   2HB   ARG  19          1HB       ARG  19   4.338   6.006   6.006
  168   1HG   ARG  19          2HG       ARG  19   1.680   5.252   5.252
  169   2HG   ARG  19          1HG       ARG  19   1.922   6.965   6.965
  170   1HD   ARG  19          2HD       ARG  19   3.786   7.110   7.110
  171   2HD   ARG  19          1HD       ARG  19   3.933   5.343   5.343
  172    HE   ARG  19           HE       ARG  19   2.163   5.332   5.332
  173   1HH1  ARG  19          1HH2      ARG  19   2.208   8.365   8.365
  174   2HH1  ARG  19          2HH2      ARG  19   0.971   9.064   9.064
  175   1HH2  ARG  19          1HH1      ARG  19   0.566   6.277   6.277
  176   2HH2  ARG  19          2HH1      ARG  19   0.048   7.896   7.896
  177    H    ASP  20           H        ASP  20   3.324   3.711   3.711
  178    HA   ASP  20           HA       ASP  20   6.290   3.311   3.311
  179   1HB   ASP  20          2HB       ASP  20   4.782   5.088   5.088
  180   2HB   ASP  20          1HB       ASP  20   4.570   3.730   3.730
  181    H    PHE  21           H        PHE  21   3.465   1.461   1.461
  182    HA   PHE  21           HA       PHE  21   4.299  -0.501  -0.501
  183   1HB   PHE  21          2HB       PHE  21   1.932  -0.150  -0.150
  184   2HB   PHE  21          1HB       PHE  21   2.117  -0.347  -0.347
  185    HD1  PHE  21          2HD       PHE  21   3.172  -2.278  -2.278
  186    HD2  PHE  21          1HD       PHE  21   1.277  -2.356  -2.356
  187    HE1  PHE  21          2HE       PHE  21   2.860  -4.727  -4.727
  188    HE2  PHE  21          1HE       PHE  21   0.986  -4.808  -4.808
  189   1HZ   PHE  21           HZ       PHE  21   1.765  -5.996  -5.996
  190    H    ILE  22           H        ILE  22   3.801  -0.493  -0.493
  191    HA   ILE  22           HA       ILE  22   5.058  -2.935  -2.935
  192    HB   ILE  22           HB       ILE  22   4.868  -0.340  -0.340
  193   1HG1  ILE  22          2HG1      ILE  22   3.216  -2.872  -2.872
  194   2HG1  ILE  22          1HG1      ILE  22   2.737  -1.425  -1.425
  195   1HG2  ILE  22          1HG2      ILE  22   5.532  -3.132  -3.132
  196   2HG2  ILE  22          3HG2      ILE  22   5.186  -1.756  -1.756
  197   3HG2  ILE  22          2HG2      ILE  22   6.618  -1.742  -1.742
  198   1HD1  ILE  22          1HD1      ILE  22   3.550  -1.012  -1.012
  199   2HD1  ILE  22          3HD1      ILE  22   2.029  -1.868  -1.868
  200   3HD1  ILE  22          2HD1      ILE  22   2.253  -0.252  -0.252
  201    H    GLU  23           H        GLU  23   6.441   0.240   0.240
  202    HA   GLU  23           HA       GLU  23   9.131  -0.240  -0.240
  203   1HB   GLU  23          2HB       GLU  23   7.698   1.552   1.552
  204   2HB   GLU  23          1HB       GLU  23   9.457   1.472   1.472
  205   1HG   GLU  23          2HG       GLU  23   9.560   1.967   1.967
  206   2HG   GLU  23          1HG       GLU  23   7.810   2.187   2.187
  207    H    LYS  24           H        LYS  24   7.419  -0.779  -0.779
  208    HA   LYS  24           HA       LYS  24   9.736  -2.244  -2.244
  209   1HB   LYS  24          2HB       LYS  24   7.054  -1.242  -1.242
  210   2HB   LYS  24          1HB       LYS  24   8.089  -2.271  -2.271
  211   1HG   LYS  24          2HG       LYS  24   9.919  -0.453  -0.453
  212   2HG   LYS  24          1HG       LYS  24   8.480   0.561   0.561
  213   1HD   LYS  24          2HD       LYS  24   7.899   0.127   0.127
  214   2HD   LYS  24          1HD       LYS  24   9.124  -1.134  -1.134
  215   1HE   LYS  24          2HE       LYS  24  10.512   0.479   0.479
  216   2HE   LYS  24          1HE       LYS  24  10.556   1.132   1.132
  217   1HZ   LYS  24          1HZ       LYS  24   8.475   1.757   1.757
  218   2HZ   LYS  24          3HZ       LYS  24   9.759   2.782   2.782
  219   3HZ   LYS  24          2HZ       LYS  24   8.570   2.401   2.401
  220    H    PHE  25           H        PHE  25   7.709  -3.134  -3.134
  221    HA   PHE  25           HA       PHE  25   7.176  -5.836  -5.836
  222   1HB   PHE  25          2HB       PHE  25   5.085  -4.716  -4.716
  223   2HB   PHE  25          1HB       PHE  25   5.342  -3.862  -3.862
  224    HD1  PHE  25          2HD       PHE  25   5.664  -7.472  -7.472
  225    HD2  PHE  25          1HD       PHE  25   3.674  -4.487  -4.487
  226    HE1  PHE  25          2HE       PHE  25   4.508  -9.257  -9.257
  227    HE2  PHE  25          1HE       PHE  25   2.493  -6.287  -6.287
  228   1HZ   PHE  25           HZ       PHE  25   2.906  -8.671  -8.671
  229    H    LYS  26           H        LYS  26   9.412  -5.032  -5.032
  230    HA   LYS  26           HA       LYS  26   8.864  -5.963  -5.963
  231   1HB   LYS  26          2HB       LYS  26  11.047  -4.595  -4.595
  232   2HB   LYS  26          1HB       LYS  26  11.552  -5.611  -5.611
  233   1HG   LYS  26          2HG       LYS  26   9.799  -4.373  -4.373
  234   2HG   LYS  26          1HG       LYS  26   9.707  -3.219  -3.219
  235   1HD   LYS  26          2HD       LYS  26  11.315  -2.312  -2.312
  236   2HD   LYS  26          1HD       LYS  26  12.255  -3.023  -3.023
  237   1HE   LYS  26          2HE       LYS  26  12.000  -5.171  -5.171
  238   2HE   LYS  26          1HE       LYS  26  12.116  -3.819  -3.819
  239   1HZ   LYS  26          2HZ       LYS  26  13.916  -4.181  -4.181
  240   2HZ   LYS  26          1HZ       LYS  26  14.308  -4.671  -4.671
  241   3HZ   LYS  26          3HZ       LYS  26  14.065  -3.027  -3.027
  242    H    GLY  27           H        GLY  27   8.119  -7.868  -7.868
  243   1HA   GLY  27          2HA       GLY  27   8.491 -10.181 -10.181
  244   2HA   GLY  27          1HA       GLY  27  10.199  -9.931  -9.931
  245    H    ARG  28           H        ARG  28   8.673  -7.772  -7.772
  246    HA   ARG  28           HA       ARG  28   9.127  -7.296  -7.296
  247   1HB   ARG  28          2HB       ARG  28   7.781  -9.538  -9.538
  248   2HB   ARG  28          1HB       ARG  28   9.300 -10.290 -10.290
  249   1HG   ARG  28          2HG       ARG  28   8.285  -9.874  -9.874
  250   2HG   ARG  28          1HG       ARG  28   9.297  -8.442  -8.442
  251   1HD   ARG  28          2HD       ARG  28   7.147  -7.598  -7.598
  252   2HD   ARG  28          1HD       ARG  28   7.221  -7.366  -7.366
  253    HE   ARG  28           HE       ARG  28   6.172  -9.983  -9.983
  254   1HH1  ARG  28          1HH2      ARG  28   5.369  -6.637  -6.637
  255   2HH1  ARG  28          2HH2      ARG  28   3.724  -7.001  -7.001
  256   1HH2  ARG  28          1HH1      ARG  28   4.036 -10.406 -10.406
  257   2HH2  ARG  28          2HH1      ARG  28   2.975  -9.109  -9.109

  Start of MODEL    3
    1   1H    GLN   1          3HT       GLN   1  -9.869   9.374   9.374
    2   2H    GLN   1          2HT       GLN   1  -8.559  10.281  10.281
    3   3H    GLN   1          1HT       GLN   1  -8.282   8.867   8.867
    4    HA   GLN   1           HA       GLN   1  -7.906   8.356   8.356
    5   1HB   GLN   1          2HB       GLN   1 -10.508   9.864   9.864
    6   2HB   GLN   1          1HB       GLN   1 -10.064   8.744   8.744
    7   1HG   GLN   1          2HG       GLN   1  -8.258  10.021  10.021
    8   2HG   GLN   1          1HG       GLN   1  -8.007  10.708  10.708
    9   1HE2  GLN   1          2HE2      GLN   1  -9.503  13.637  13.637
   10   2HE2  GLN   1          1HE2      GLN   1  -8.056  12.925  12.925
   11    H    GLN   2           H        GLN   2  -8.600   6.840   6.840
   12    HA   GLN   2           HA       GLN   2  -9.846   4.530   4.530
   13   1HB   GLN   2          2HB       GLN   2 -11.829   6.039   6.039
   14   2HB   GLN   2          1HB       GLN   2 -11.467   6.066   6.066
   15   1HG   GLN   2          2HG       GLN   2 -12.105   3.863   3.863
   16   2HG   GLN   2          1HG       GLN   2 -11.725   3.407   3.407
   17   1HE2  GLN   2          2HE2      GLN   2 -15.480   3.697   3.697
   18   2HE2  GLN   2          1HE2      GLN   2 -14.280   2.869   2.869
   19    H    TYR   3           H        TYR   3  -8.071   3.466   3.466
   20    HA   TYR   3           HA       TYR   3  -7.729   3.593   3.593
   21   1HB   TYR   3          2HB       TYR   3  -5.936   2.701   2.701
   22   2HB   TYR   3          1HB       TYR   3  -5.474   2.644   2.644
   23    HD1  TYR   3          2HD       TYR   3  -6.751   4.939   4.939
   24    HD2  TYR   3          1HD       TYR   3  -4.620   4.565   4.565
   25    HE1  TYR   3          2HE       TYR   3  -6.257   7.353   7.353
   26    HE2  TYR   3          1HE       TYR   3  -4.101   6.993   6.993
   27    HH   TYR   3           HH       TYR   3  -5.683   9.160   9.160
   28    H    THR   4           H        THR   4  -8.793   2.019   2.019
   29    HA   THR   4           HA       THR   4  -9.458  -0.544  -0.544
   30    HB   THR   4           HB       THR   4  -9.815   0.323   0.323
   31    HG1  THR   4          1HG       THR   4 -10.780   1.946   1.946
   32   1HG2  THR   4          1HG2      THR   4 -10.342  -2.046  -2.046
   33   2HG2  THR   4          3HG2      THR   4 -11.573  -1.380  -1.380
   34   3HG2  THR   4          2HG2      THR   4 -11.711  -1.160  -1.160
   35    H    ALA   5           H        ALA   5  -6.723   0.608   0.608
   36    HA   ALA   5           HA       ALA   5  -5.991  -1.501  -1.501
   37   1HB   ALA   5          1HB       ALA   5  -5.004   0.913   0.913
   38   2HB   ALA   5          3HB       ALA   5  -3.918  -0.096  -0.096
   39   3HB   ALA   5          2HB       ALA   5  -4.016  -0.315  -0.315
   40    H    LYS   6           H        LYS   6  -6.702  -3.423  -3.423
   41    HA   LYS   6           HA       LYS   6  -5.324  -4.105  -4.105
   42   1HB   LYS   6          2HB       LYS   6  -7.025  -5.589  -5.589
   43   2HB   LYS   6          1HB       LYS   6  -6.390  -6.375  -6.375
   44   1HG   LYS   6          2HG       LYS   6  -7.587  -4.887  -4.887
   45   2HG   LYS   6          1HG       LYS   6  -8.008  -3.821  -3.821
   46   1HD   LYS   6          2HD       LYS   6  -8.872  -6.710  -6.710
   47   2HD   LYS   6          1HD       LYS   6  -9.820  -5.474  -5.474
   48   1HE   LYS   6          2HE       LYS   6  -9.556  -4.184  -4.184
   49   2HE   LYS   6          1HE       LYS   6  -9.345  -5.833  -5.833
   50   1HZ   LYS   6          1HZ       LYS   6 -11.555  -4.955  -4.955
   51   2HZ   LYS   6          3HZ       LYS   6 -11.700  -5.187  -5.187
   52   3HZ   LYS   6          2HZ       LYS   6 -11.355  -6.507  -6.507
   53    H    ILE   7           H        ILE   7  -3.179  -3.513  -3.513
   54    HA   ILE   7           HA       ILE   7  -1.935  -4.940  -4.940
   55    HB   ILE   7           HB       ILE   7  -0.964  -3.018  -3.018
   56   1HG1  ILE   7          2HG1      ILE   7   0.857  -5.309  -5.309
   57   2HG1  ILE   7          1HG1      ILE   7   0.666  -4.675  -4.675
   58   1HG2  ILE   7          2HG2      ILE   7  -1.641  -4.248  -4.248
   59   2HG2  ILE   7          1HG2      ILE   7   0.057  -3.774  -3.774
   60   3HG2  ILE   7          3HG2      ILE   7  -1.188  -2.576  -2.576
   61   1HD1  ILE   7          1HD1      ILE   7   1.210  -2.618  -2.618
   62   2HD1  ILE   7          3HD1      ILE   7   2.519  -3.777  -3.777
   63   3HD1  ILE   7          2HD1      ILE   7   1.919  -2.833  -2.833
   64    H    LYS   8           H        LYS   8  -0.439  -5.846  -5.846
   65    HA   LYS   8           HA       LYS   8  -0.251  -8.597  -8.597
   66   1HB   LYS   8          2HB       LYS   8   1.417  -7.313  -7.313
   67   2HB   LYS   8          1HB       LYS   8   0.254  -7.268  -7.268
   68   1HG   LYS   8          2HG       LYS   8   1.711  -9.105  -9.105
   69   2HG   LYS   8          1HG       LYS   8   0.208  -9.816  -9.816
   70   1HD   LYS   8          2HD       LYS   8   1.473  -9.547  -9.547
   71   2HD   LYS   8          1HD       LYS   8   2.886  -9.679  -9.679
   72   1HE   LYS   8          2HE       LYS   8   0.602 -11.641 -11.641
   73   2HE   LYS   8          1HE       LYS   8   1.902 -11.891 -11.891
   74   1HZ   LYS   8          3HZ       LYS   8   2.306 -11.366 -11.366
   75   2HZ   LYS   8          2HZ       LYS   8   2.437 -12.891 -12.891
   76   3HZ   LYS   8          1HZ       LYS   8   3.526 -11.651 -11.651
   77    H    GLY   9           H        GLY   9  -2.593  -6.759  -6.759
   78   1HA   GLY   9          2HA       GLY   9  -4.785  -8.169  -8.169
   79   2HA   GLY   9          1HA       GLY   9  -3.805  -9.204  -9.204
   80    H    ARG  10           H        ARG  10  -3.992  -5.658  -5.658
   81    HA   ARG  10           HA       ARG  10  -5.011  -5.462  -5.462
   82   1HB   ARG  10          2HB       ARG  10  -2.423  -5.574  -5.574
   83   2HB   ARG  10          1HB       ARG  10  -2.569  -3.954  -3.954
   84   1HG   ARG  10          2HG       ARG  10  -2.821  -3.033  -3.033
   85   2HG   ARG  10          1HG       ARG  10  -4.114  -4.160  -4.160
   86   1HD   ARG  10          2HD       ARG  10  -2.166  -5.884  -5.884
   87   2HD   ARG  10          1HD       ARG  10  -1.150  -4.434  -4.434
   88    HE   ARG  10           HE       ARG  10  -3.605  -4.269  -4.269
   89   1HH1  ARG  10          1HH2      ARG  10  -0.269  -5.323  -5.323
   90   2HH1  ARG  10          2HH2      ARG  10  -0.120  -5.230  -5.230
   91   1HH2  ARG  10          1HH1      ARG  10  -3.368  -4.164  -4.164
   92   2HH2  ARG  10          2HH1      ARG  10  -1.854  -4.581  -4.581
   93    H    THR  11           H        THR  11  -6.393  -3.726  -3.726
   94    HA   THR  11           HA       THR  11  -6.676  -1.862  -1.862
   95    HB   THR  11           HB       THR  11  -8.273  -2.258  -2.258
   96    HG1  THR  11          1HG       THR  11  -8.729  -4.011  -4.011
   97   1HG2  THR  11          1HG2      THR  11  -8.463  -0.003  -0.003
   98   2HG2  THR  11          3HG2      THR  11  -9.067  -0.827  -0.827
   99   3HG2  THR  11          2HG2      THR  11  -9.977  -0.904  -0.904
  100    H    PHE  12           H        PHE  12  -5.961   0.270   0.270
  101    HA   PHE  12           HA       PHE  12  -4.618   0.972   0.972
  102   1HB   PHE  12          2HB       PHE  12  -4.274   1.930   1.930
  103   2HB   PHE  12          1HB       PHE  12  -3.315   2.495   2.495
  104    HD1  PHE  12          1HD       PHE  12  -4.134  -0.441  -0.441
  105    HD2  PHE  12          2HD       PHE  12  -1.637   1.100   1.100
  106    HE1  PHE  12          1HE       PHE  12  -2.639  -2.399  -2.399
  107    HE2  PHE  12          2HE       PHE  12  -0.159  -0.869  -0.869
  108   1HZ   PHE  12           HZ       PHE  12  -0.653  -2.622  -2.622
  109    H    ARG  13           H        ARG  13  -5.057   2.928   2.928
  110    HA   ARG  13           HA       ARG  13  -7.626   4.218   4.218
  111   1HB   ARG  13          2HB       ARG  13  -5.459   4.719   4.719
  112   2HB   ARG  13          1HB       ARG  13  -7.061   5.452   5.452
  113   1HG   ARG  13          2HG       ARG  13  -8.036   3.575   3.575
  114   2HG   ARG  13          1HG       ARG  13  -7.137   2.526   2.526
  115   1HD   ARG  13          2HD       ARG  13  -5.483   2.129   2.129
  116   2HD   ARG  13          1HD       ARG  13  -5.537   3.786   3.786
  117    HE   ARG  13           HE       ARG  13  -7.153   1.542   1.542
  118   1HH1  ARG  13          1HH2      ARG  13  -6.972   5.020   5.020
  119   2HH1  ARG  13          2HH2      ARG  13  -8.068   5.302   5.302
  120   1HH2  ARG  13          1HH1      ARG  13  -8.567   1.954   1.954
  121   2HH2  ARG  13          2HH1      ARG  13  -8.964   3.587   3.587
  122    H    ASN  14           H        ASN  14  -4.185   5.180   5.180
  123    HA   ASN  14           HA       ASN  14  -4.900   7.559   7.559
  124   1HB   ASN  14          2HB       ASN  14  -3.117   8.742   8.742
  125   2HB   ASN  14          1HB       ASN  14  -4.222   8.043   8.043
  126   1HD2  ASN  14          2HD2      ASN  14  -1.823   5.645   5.645
  127   2HD2  ASN  14          1HD2      ASN  14  -3.488   5.937   5.937
  128    H    GLU  15           H        GLU  15  -3.322   8.127   8.127
  129    HA   GLU  15           HA       GLU  15  -2.183   5.961   5.961
  130   1HB   GLU  15          2HB       GLU  15  -2.807   8.206   8.206
  131   2HB   GLU  15          1HB       GLU  15  -1.447   8.901   8.901
  132   1HG   GLU  15          2HG       GLU  15   0.143   7.649   7.649
  133   2HG   GLU  15          1HG       GLU  15  -1.145   6.716   6.716
  134    H    LYS  16           H        LYS  16  -0.742   8.185   8.185
  135    HA   LYS  16           HA       LYS  16   1.983   7.663   7.663
  136   1HB   LYS  16          2HB       LYS  16   0.351   8.987   8.987
  137   2HB   LYS  16          1HB       LYS  16   1.001   7.712   7.712
  138   1HG   LYS  16          2HG       LYS  16   3.119   8.559   8.559
  139   2HG   LYS  16          1HG       LYS  16   2.979   9.064   9.064
  140   1HD   LYS  16          2HD       LYS  16   2.941  11.147  11.147
  141   2HD   LYS  16          1HD       LYS  16   1.220  10.779  10.779
  142   1HE   LYS  16          2HE       LYS  16   2.170   9.591   9.591
  143   2HE   LYS  16          1HE       LYS  16   3.253  10.991  10.991
  144   1HZ   LYS  16          3HZ       LYS  16   0.295  11.112  11.112
  145   2HZ   LYS  16          2HZ       LYS  16   1.153  11.534  11.534
  146   3HZ   LYS  16          1HZ       LYS  16   1.365  12.428  12.428
  147    H    GLU  17           H        GLU  17  -0.321   5.778   5.778
  148    HA   GLU  17           HA       GLU  17   1.621   3.779   3.779
  149   1HB   GLU  17          2HB       GLU  17  -1.195   4.390   4.390
  150   2HB   GLU  17          1HB       GLU  17  -1.008   2.678   2.678
  151   1HG   GLU  17          2HG       GLU  17   0.579   4.119   4.119
  152   2HG   GLU  17          1HG       GLU  17  -0.888   3.191   3.191
  153    H    LEU  18           H        LEU  18  -0.824   3.973   3.973
  154    HA   LEU  18           HA       LEU  18  -0.372   1.414   1.414
  155   1HB   LEU  18          2HB       LEU  18  -2.264   2.834   2.834
  156   2HB   LEU  18          1HB       LEU  18  -1.194   4.124   4.124
  157    HG   LEU  18           HG       LEU  18  -0.439   2.788   2.788
  158   1HD1  LEU  18          2HD1      LEU  18  -1.867   0.614   0.614
  159   2HD1  LEU  18          1HD1      LEU  18  -1.887   0.555   0.555
  160   3HD1  LEU  18          3HD1      LEU  18  -0.350   0.548   0.548
  161   1HD2  LEU  18          3HD2      LEU  18  -3.424   2.909   2.909
  162   2HD2  LEU  18          2HD2      LEU  18  -2.409   3.998   3.998
  163   3HD2  LEU  18          1HD2      LEU  18  -2.729   2.362   2.362
  164    H    ARG  19           H        ARG  19   1.492   4.370   4.370
  165    HA   ARG  19           HA       ARG  19   3.296   3.498   3.498
  166   1HB   ARG  19          2HB       ARG  19   2.542   5.851   5.851
  167   2HB   ARG  19          1HB       ARG  19   3.227   5.920   5.920
  168   1HG   ARG  19          2HG       ARG  19   5.458   5.697   5.697
  169   2HG   ARG  19          1HG       ARG  19   4.889   5.239   5.239
  170   1HD   ARG  19          2HD       ARG  19   5.397   7.502   7.502
  171   2HD   ARG  19          1HD       ARG  19   3.684   7.613   7.613
  172    HE   ARG  19           HE       ARG  19   5.053   7.630   7.630
  173   1HH1  ARG  19          1HH2      ARG  19   5.091   9.582   9.582
  174   2HH1  ARG  19          2HH2      ARG  19   5.562  11.013  11.013
  175   1HH2  ARG  19          1HH1      ARG  19   5.663   9.503   9.503
  176   2HH2  ARG  19          2HH1      ARG  19   5.884  10.970  10.970
  177    H    ASP  20           H        ASP  20   3.127   3.709   3.709
  178    HA   ASP  20           HA       ASP  20   5.984   2.972   2.972
  179   1HB   ASP  20          2HB       ASP  20   4.163   4.457   4.457
  180   2HB   ASP  20          1HB       ASP  20   4.191   2.936   2.936
  181    H    PHE  21           H        PHE  21   3.419   1.220   1.220
  182    HA   PHE  21           HA       PHE  21   3.677  -1.076  -1.076
  183   1HB   PHE  21          2HB       PHE  21   1.506  -0.339  -0.339
  184   2HB   PHE  21          1HB       PHE  21   2.140  -0.623  -0.623
  185    HD1  PHE  21          1HD       PHE  21   1.203  -2.254  -2.254
  186    HD2  PHE  21          2HD       PHE  21   2.331  -2.827  -2.827
  187    HE1  PHE  21          1HE       PHE  21   0.617  -4.650  -4.650
  188    HE2  PHE  21          2HE       PHE  21   1.740  -5.229  -5.229
  189   1HZ   PHE  21           HZ       PHE  21   0.880  -6.144  -6.144
  190    H    ILE  22           H        ILE  22   4.189  -0.353  -0.353
  191    HA   ILE  22           HA       ILE  22   5.476  -2.821  -2.821
  192    HB   ILE  22           HB       ILE  22   5.726  -0.078  -0.078
  193   1HG1  ILE  22          2HG1      ILE  22   3.958  -2.438  -2.438
  194   2HG1  ILE  22          1HG1      ILE  22   3.411  -0.994  -0.994
  195   1HG2  ILE  22          2HG2      ILE  22   7.358  -2.206  -2.206
  196   2HG2  ILE  22          1HG2      ILE  22   6.041  -2.515  -2.515
  197   3HG2  ILE  22          3HG2      ILE  22   6.923  -0.991  -0.991
  198   1HD1  ILE  22          1HD1      ILE  22   4.493   0.232   0.232
  199   2HD1  ILE  22          3HD1      ILE  22   4.197  -1.326  -1.326
  200   3HD1  ILE  22          2HD1      ILE  22   2.854  -0.418  -0.418
  201    H    GLU  23           H        GLU  23   6.624   0.211   0.211
  202    HA   GLU  23           HA       GLU  23   9.438  -0.217  -0.217
  203   1HB   GLU  23          2HB       GLU  23   8.284   1.910   1.910
  204   2HB   GLU  23          1HB       GLU  23   7.887   1.172   1.172
  205   1HG   GLU  23          2HG       GLU  23  10.225   0.947   0.947
  206   2HG   GLU  23          1HG       GLU  23  10.716   1.458   1.458
  207    H    LYS  24           H        LYS  24   7.104  -1.081  -1.081
  208    HA   LYS  24           HA       LYS  24   9.128  -2.638  -2.638
  209   1HB   LYS  24          2HB       LYS  24   6.217  -1.882  -1.882
  210   2HB   LYS  24          1HB       LYS  24   7.053  -2.967  -2.967
  211   1HG   LYS  24          2HG       LYS  24   8.280  -0.313  -0.313
  212   2HG   LYS  24          1HG       LYS  24   7.006  -0.398  -0.398
  213   1HD   LYS  24          2HD       LYS  24   8.290  -1.977  -1.977
  214   2HD   LYS  24          1HD       LYS  24   9.518  -2.091  -2.091
  215   1HE   LYS  24          2HE       LYS  24  10.574  -0.229  -0.229
  216   2HE   LYS  24          1HE       LYS  24   9.054   0.687   0.687
  217   1HZ   LYS  24          3HZ       LYS  24   9.751  -1.402  -1.402
  218   2HZ   LYS  24          2HZ       LYS  24  10.093   0.245   0.245
  219   3HZ   LYS  24          1HZ       LYS  24   8.484  -0.279  -0.279
  220    H    PHE  25           H        PHE  25   7.580  -3.278  -3.278
  221    HA   PHE  25           HA       PHE  25   6.517  -5.978  -5.978
  222   1HB   PHE  25          2HB       PHE  25   5.174  -4.453  -4.453
  223   2HB   PHE  25          1HB       PHE  25   6.537  -4.108  -4.108
  224    HD1  PHE  25          2HD       PHE  25   5.487  -7.481  -7.481
  225    HD2  PHE  25          1HD       PHE  25   5.666  -4.688  -4.688
  226    HE1  PHE  25          2HE       PHE  25   4.782  -9.272  -9.272
  227    HE2  PHE  25          1HE       PHE  25   4.956  -6.486  -6.486
  228   1HZ   PHE  25           HZ       PHE  25   4.514  -8.776  -8.776
  229    H    LYS  26           H        LYS  26   9.518  -4.732  -4.732
  230    HA   LYS  26           HA       LYS  26  11.525  -5.685  -5.685
  231   1HB   LYS  26          2HB       LYS  26  10.396  -7.669  -7.669
  232   2HB   LYS  26          1HB       LYS  26   9.983  -8.265  -8.265
  233   1HG   LYS  26          2HG       LYS  26  12.092  -9.266  -9.266
  234   2HG   LYS  26          1HG       LYS  26  12.406  -8.116  -8.116
  235   1HD   LYS  26          2HD       LYS  26  13.452  -6.604  -6.604
  236   2HD   LYS  26          1HD       LYS  26  12.521  -7.106  -7.106
  237   1HE   LYS  26          2HE       LYS  26  14.294  -9.197  -9.197
  238   2HE   LYS  26          1HE       LYS  26  15.118  -7.822  -7.822
  239   1HZ   LYS  26          3HZ       LYS  26  13.573  -8.065  -8.065
  240   2HZ   LYS  26          2HZ       LYS  26  12.960  -9.484  -9.484
  241   3HZ   LYS  26          1HZ       LYS  26  14.580  -9.414  -9.414
  242    H    GLY  27           H        GLY  27   9.499  -4.480  -4.480
  243   1HA   GLY  27          2HA       GLY  27  10.572  -5.398  -5.398
  244   2HA   GLY  27          1HA       GLY  27   8.834  -5.626  -5.626
  245    H    ARG  28           H        ARG  28  10.716  -2.980  -2.980
  246    HA   ARG  28           HA       ARG  28   8.924  -0.913  -0.913
  247   1HB   ARG  28          2HB       ARG  28  10.797  -0.832  -0.832
  248   2HB   ARG  28          1HB       ARG  28  11.943  -0.798  -0.798
  249   1HG   ARG  28          2HG       ARG  28  10.436   1.249   1.249
  250   2HG   ARG  28          1HG       ARG  28  10.060   1.328   1.328
  251   1HD   ARG  28          2HD       ARG  28  12.502   1.384   1.384
  252   2HD   ARG  28          1HD       ARG  28  12.836   1.411   1.411
  253    HE   ARG  28           HE       ARG  28  10.920   3.452   3.452
  254   1HH1  ARG  28          1HH2      ARG  28  14.309   2.687   2.687
  255   2HH1  ARG  28          2HH2      ARG  28  14.767   4.347   4.347
  256   1HH2  ARG  28          1HH1      ARG  28  11.560   5.586   5.586
  257   2HH2  ARG  28          2HH1      ARG  28  13.231   5.971   5.971

  Start of MODEL    4
    1   1H    GLN   1          2HT       GLN   1  -8.656   9.082   9.082
    2   2H    GLN   1          1HT       GLN   1  -9.916   9.837   9.837
    3   3H    GLN   1          3HT       GLN   1  -8.309  10.304  10.304
    4    HA   GLN   1           HA       GLN   1  -7.788   8.225   8.225
    5   1HB   GLN   1          2HB       GLN   1 -10.430   9.447   9.447
    6   2HB   GLN   1          1HB       GLN   1  -9.415   8.433   8.433
    7   1HG   GLN   1          2HG       GLN   1  -7.560  10.215  10.215
    8   2HG   GLN   1          1HG       GLN   1  -8.990  11.240  11.240
    9   1HE2  GLN   1          2HE2      GLN   1  -8.411  11.841  11.841
   10   2HE2  GLN   1          1HE2      GLN   1  -8.266  12.489  12.489
   11    H    GLN   2           H        GLN   2  -8.409   6.838   6.838
   12    HA   GLN   2           HA       GLN   2 -10.011   4.624   4.624
   13   1HB   GLN   2          2HB       GLN   2 -11.349   6.843   6.843
   14   2HB   GLN   2          1HB       GLN   2 -11.454   5.432   5.432
   15   1HG   GLN   2          2HG       GLN   2 -12.656   4.190   4.190
   16   2HG   GLN   2          1HG       GLN   2 -12.015   5.095   5.095
   17   1HE2  GLN   2          2HE2      GLN   2 -14.682   7.388   7.388
   18   2HE2  GLN   2          1HE2      GLN   2 -13.318   6.763   6.763
   19    H    TYR   3           H        TYR   3  -8.192   3.453   3.453
   20    HA   TYR   3           HA       TYR   3  -7.547   3.566   3.566
   21   1HB   TYR   3          2HB       TYR   3  -5.954   2.719   2.719
   22   2HB   TYR   3          1HB       TYR   3  -5.352   2.634   2.634
   23    HD1  TYR   3          2HD       TYR   3  -6.810   4.952   4.952
   24    HD2  TYR   3          1HD       TYR   3  -4.455   4.550   4.550
   25    HE1  TYR   3          2HE       TYR   3  -6.326   7.370   7.370
   26    HE2  TYR   3          1HE       TYR   3  -3.948   6.982   6.982
   27    HH   TYR   3           HH       TYR   3  -4.955   9.047   9.047
   28    H    THR   4           H        THR   4  -8.739   2.037   2.037
   29    HA   THR   4           HA       THR   4  -9.370  -0.534  -0.534
   30    HB   THR   4           HB       THR   4  -9.811   0.430   0.430
   31    HG1  THR   4          1HG       THR   4 -11.720   1.290   1.290
   32   1HG2  THR   4          1HG2      THR   4 -11.025  -1.711  -1.711
   33   2HG2  THR   4          3HG2      THR   4 -11.890  -1.057  -1.057
   34   3HG2  THR   4          2HG2      THR   4 -10.343  -1.871  -1.871
   35    H    ALA   5           H        ALA   5  -6.682   0.624   0.624
   36    HA   ALA   5           HA       ALA   5  -6.009  -1.526  -1.526
   37   1HB   ALA   5          2HB       ALA   5  -4.730   0.791   0.791
   38   2HB   ALA   5          1HB       ALA   5  -3.613  -0.525  -0.525
   39   3HB   ALA   5          3HB       ALA   5  -4.569   0.203   0.203
   40    H    LYS   6           H        LYS   6  -6.639  -3.434  -3.434
   41    HA   LYS   6           HA       LYS   6  -5.256  -4.041  -4.041
   42   1HB   LYS   6          2HB       LYS   6  -7.272  -5.214  -5.214
   43   2HB   LYS   6          1HB       LYS   6  -6.293  -6.402  -6.402
   44   1HG   LYS   6          2HG       LYS   6  -6.947  -5.568  -5.568
   45   2HG   LYS   6          1HG       LYS   6  -7.588  -4.079  -4.079
   46   1HD   LYS   6          2HD       LYS   6  -9.186  -5.688  -5.688
   47   2HD   LYS   6          1HD       LYS   6  -8.767  -6.844  -6.844
   48   1HE   LYS   6          2HE       LYS   6  -9.300  -4.652  -4.652
   49   2HE   LYS   6          1HE       LYS   6 -10.424  -4.390  -4.390
   50   1HZ   LYS   6          1HZ       LYS   6 -11.138  -6.707  -6.707
   51   2HZ   LYS   6          3HZ       LYS   6 -10.122  -6.899  -6.899
   52   3HZ   LYS   6          2HZ       LYS   6 -11.438  -5.827  -5.827
   53    H    ILE   7           H        ILE   7  -3.061  -3.584  -3.584
   54    HA   ILE   7           HA       ILE   7  -1.870  -5.139  -5.139
   55    HB   ILE   7           HB       ILE   7  -0.792  -3.219  -3.219
   56   1HG1  ILE   7          2HG1      ILE   7   0.903  -5.497  -5.497
   57   2HG1  ILE   7          1HG1      ILE   7   0.728  -5.093  -5.093
   58   1HG2  ILE   7          1HG2      ILE   7  -1.635  -4.137  -4.137
   59   2HG2  ILE   7          3HG2      ILE   7   0.116  -3.943  -3.943
   60   3HG2  ILE   7          2HG2      ILE   7  -0.903  -2.587  -2.587
   61   1HD1  ILE   7          1HD1      ILE   7   1.430  -2.891  -2.891
   62   2HD1  ILE   7          3HD1      ILE   7   2.690  -4.055  -4.055
   63   3HD1  ILE   7          2HD1      ILE   7   1.906  -3.121  -3.121
   64    H    LYS   8           H        LYS   8  -0.500  -5.915  -5.915
   65    HA   LYS   8           HA       LYS   8  -0.440  -8.724  -8.724
   66   1HB   LYS   8          2HB       LYS   8   1.086  -7.091  -7.091
   67   2HB   LYS   8          1HB       LYS   8   0.043  -7.676  -7.676
   68   1HG   LYS   8          2HG       LYS   8   1.230  -9.664  -9.664
   69   2HG   LYS   8          1HG       LYS   8   2.252  -8.991  -8.991
   70   1HD   LYS   8          2HD       LYS   8   0.350  -9.596  -9.596
   71   2HD   LYS   8          1HD       LYS   8  -0.302 -10.574 -10.574
   72   1HE   LYS   8          2HE       LYS   8   1.044 -12.144 -12.144
   73   2HE   LYS   8          1HE       LYS   8   2.189 -11.511 -11.511
   74   1HZ   LYS   8          2HZ       LYS   8   2.833  -9.807  -9.807
   75   2HZ   LYS   8          1HZ       LYS   8   1.852 -10.575 -10.575
   76   3HZ   LYS   8          3HZ       LYS   8   3.199 -11.384 -11.384
   77    H    GLY   9           H        GLY   9  -2.597  -6.614  -6.614
   78   1HA   GLY   9          2HA       GLY   9  -4.915  -7.779  -7.779
   79   2HA   GLY   9          1HA       GLY   9  -4.027  -8.939  -8.939
   80    H    ARG  10           H        ARG  10  -4.131  -5.370  -5.370
   81    HA   ARG  10           HA       ARG  10  -4.920  -5.163  -5.163
   82   1HB   ARG  10          2HB       ARG  10  -2.345  -5.420  -5.420
   83   2HB   ARG  10          1HB       ARG  10  -2.443  -3.767  -3.767
   84   1HG   ARG  10          2HG       ARG  10  -2.732  -2.872  -2.872
   85   2HG   ARG  10          1HG       ARG  10  -3.824  -4.161  -4.161
   86   1HD   ARG  10          2HD       ARG  10  -0.803  -4.457  -4.457
   87   2HD   ARG  10          1HD       ARG  10  -1.683  -4.165  -4.165
   88    HE   ARG  10           HE       ARG  10  -2.844  -6.391  -6.391
   89   1HH1  ARG  10          1HH2      ARG  10  -0.108  -5.497  -5.497
   90   2HH1  ARG  10          2HH2      ARG  10   0.114  -7.106  -7.106
   91   1HH2  ARG  10          1HH1      ARG  10  -2.518  -8.457  -8.457
   92   2HH2  ARG  10          2HH1      ARG  10  -1.233  -8.765  -8.765
   93    H    THR  11           H        THR  11  -6.826  -3.950  -3.950
   94    HA   THR  11           HA       THR  11  -6.626  -1.749  -1.749
   95    HB   THR  11           HB       THR  11  -8.751  -2.808  -2.808
   96    HG1  THR  11          1HG       THR  11  -9.886  -0.864  -0.864
   97   1HG2  THR  11          1HG2      THR  11  -7.696  -2.740  -2.740
   98   2HG2  THR  11          3HG2      THR  11  -8.831  -1.391  -1.391
   99   3HG2  THR  11          2HG2      THR  11  -9.403  -3.005  -3.005
  100    H    PHE  12           H        PHE  12  -5.783   0.284   0.284
  101    HA   PHE  12           HA       PHE  12  -4.584   0.884   0.884
  102   1HB   PHE  12          2HB       PHE  12  -4.256   2.035   2.035
  103   2HB   PHE  12          1HB       PHE  12  -3.311   2.529   2.529
  104    HD1  PHE  12          1HD       PHE  12  -4.016  -0.239  -0.239
  105    HD2  PHE  12          2HD       PHE  12  -1.640   1.060   1.060
  106    HE1  PHE  12          1HE       PHE  12  -2.432  -2.103  -2.103
  107    HE2  PHE  12          2HE       PHE  12  -0.085  -0.817  -0.817
  108   1HZ   PHE  12           HZ       PHE  12  -0.471  -2.399  -2.399
  109    H    ARG  13           H        ARG  13  -5.081   2.739   2.739
  110    HA   ARG  13           HA       ARG  13  -7.654   4.034   4.034
  111   1HB   ARG  13          2HB       ARG  13  -6.781   3.441   3.441
  112   2HB   ARG  13          1HB       ARG  13  -5.443   4.566   4.566
  113   1HG   ARG  13          2HG       ARG  13  -7.534   6.206   6.206
  114   2HG   ARG  13          1HG       ARG  13  -8.295   5.117   5.117
  115   1HD   ARG  13          2HD       ARG  13  -5.979   5.553   5.553
  116   2HD   ARG  13          1HD       ARG  13  -6.095   7.084   7.084
  117    HE   ARG  13           HE       ARG  13  -8.625   6.280   6.280
  118   1HH1  ARG  13          1HH2      ARG  13  -5.592   7.944   7.944
  119   2HH1  ARG  13          2HH2      ARG  13  -6.232   8.914   8.914
  120   1HH2  ARG  13          1HH1      ARG  13  -9.409   7.556   7.556
  121   2HH2  ARG  13          2HH1      ARG  13  -8.370   8.700   8.700
  122    H    ASN  14           H        ASN  14  -4.230   4.873   4.873
  123    HA   ASN  14           HA       ASN  14  -5.021   7.347   7.347
  124   1HB   ASN  14          2HB       ASN  14  -3.187   8.512   8.512
  125   2HB   ASN  14          1HB       ASN  14  -4.296   7.828   7.828
  126   1HD2  ASN  14          2HD2      ASN  14  -1.885   5.617   5.617
  127   2HD2  ASN  14          1HD2      ASN  14  -3.508   6.116   6.116
  128    H    GLU  15           H        GLU  15  -3.114   8.134   8.134
  129    HA   GLU  15           HA       GLU  15  -2.112   5.959   5.959
  130   1HB   GLU  15          2HB       GLU  15  -2.740   8.217   8.217
  131   2HB   GLU  15          1HB       GLU  15  -1.411   8.906   8.906
  132   1HG   GLU  15          2HG       GLU  15   0.067   7.207   7.207
  133   2HG   GLU  15          1HG       GLU  15  -1.293   7.177   7.177
  134    H    LYS  16           H        LYS  16  -0.687   8.116   8.116
  135    HA   LYS  16           HA       LYS  16   2.042   7.588   7.588
  136   1HB   LYS  16          2HB       LYS  16   0.693   9.094   9.094
  137   2HB   LYS  16          1HB       LYS  16   0.706   7.686   7.686
  138   1HG   LYS  16          2HG       LYS  16   2.652   8.756   8.756
  139   2HG   LYS  16          1HG       LYS  16   3.288   7.677   7.677
  140   1HD   LYS  16          2HD       LYS  16   3.237   9.465   9.465
  141   2HD   LYS  16          1HD       LYS  16   2.455  10.549  10.549
  142   1HE   LYS  16          2HE       LYS  16   5.065   9.295   9.295
  143   2HE   LYS  16          1HE       LYS  16   5.081  10.667  10.667
  144   1HZ   LYS  16          3HZ       LYS  16   3.582  11.840  11.840
  145   2HZ   LYS  16          2HZ       LYS  16   3.764  10.565  10.565
  146   3HZ   LYS  16          1HZ       LYS  16   5.104  11.516  11.516
  147    H    GLU  17           H        GLU  17  -0.362   5.648   5.648
  148    HA   GLU  17           HA       GLU  17   1.555   3.644   3.644
  149   1HB   GLU  17          2HB       GLU  17  -1.044   4.353   4.353
  150   2HB   GLU  17          1HB       GLU  17  -1.284   2.875   2.875
  151   1HG   GLU  17          2HG       GLU  17   0.505   1.817   1.817
  152   2HG   GLU  17          1HG       GLU  17   0.319   3.232   3.232
  153    H    LEU  18           H        LEU  18  -0.880   3.767   3.767
  154    HA   LEU  18           HA       LEU  18  -0.313   1.247   1.247
  155   1HB   LEU  18          2HB       LEU  18  -2.231   2.602   2.602
  156   2HB   LEU  18          1HB       LEU  18  -1.194   3.935   3.935
  157    HG   LEU  18           HG       LEU  18  -0.335   2.645   2.645
  158   1HD1  LEU  18          3HD1      LEU  18  -0.448   0.408   0.408
  159   2HD1  LEU  18          2HD1      LEU  18  -2.183   0.401   0.401
  160   3HD1  LEU  18          1HD1      LEU  18  -1.039   0.379   0.379
  161   1HD2  LEU  18          2HD2      LEU  18  -3.346   2.589   2.589
  162   2HD2  LEU  18          1HD2      LEU  18  -2.366   3.832   3.832
  163   3HD2  LEU  18          3HD2      LEU  18  -2.522   2.238   2.238
  164    H    ARG  19           H        ARG  19   1.417   4.297   4.297
  165    HA   ARG  19           HA       ARG  19   3.308   3.472   3.472
  166   1HB   ARG  19          2HB       ARG  19   2.523   5.808   5.808
  167   2HB   ARG  19          1HB       ARG  19   3.140   5.866   5.866
  168   1HG   ARG  19          2HG       ARG  19   5.434   5.356   5.356
  169   2HG   ARG  19          1HG       ARG  19   4.755   5.556   5.556
  170   1HD   ARG  19          2HD       ARG  19   5.284   7.763   7.763
  171   2HD   ARG  19          1HD       ARG  19   3.882   7.842   7.842
  172    HE   ARG  19           HE       ARG  19   5.839   6.857   6.857
  173   1HH1  ARG  19          1HH2      ARG  19   5.729   9.610   9.610
  174   2HH1  ARG  19          2HH2      ARG  19   6.854  10.519  10.519
  175   1HH2  ARG  19          1HH1      ARG  19   7.286   8.073   8.073
  176   2HH2  ARG  19          2HH1      ARG  19   7.725   9.663   9.663
  177    H    ASP  20           H        ASP  20   3.044   3.610   3.610
  178    HA   ASP  20           HA       ASP  20   5.907   2.941   2.941
  179   1HB   ASP  20          2HB       ASP  20   3.532   3.645   3.645
  180   2HB   ASP  20          1HB       ASP  20   4.921   2.860   2.860
  181    H    PHE  21           H        PHE  21   3.477   1.131   1.131
  182    HA   PHE  21           HA       PHE  21   3.676  -1.185  -1.185
  183   1HB   PHE  21          2HB       PHE  21   1.564  -0.503  -0.503
  184   2HB   PHE  21          1HB       PHE  21   2.354  -0.769  -0.769
  185    HD1  PHE  21          2HD       PHE  21   1.232  -2.432  -2.432
  186    HD2  PHE  21          1HD       PHE  21   2.650  -2.957  -2.957
  187    HE1  PHE  21          2HE       PHE  21   0.705  -4.847  -4.847
  188    HE2  PHE  21          1HE       PHE  21   2.118  -5.377  -5.377
  189   1HZ   PHE  21           HZ       PHE  21   1.145  -6.323  -6.323
  190    H    ILE  22           H        ILE  22   4.189  -0.614  -0.614
  191    HA   ILE  22           HA       ILE  22   5.787  -2.875  -2.875
  192    HB   ILE  22           HB       ILE  22   5.612  -0.107  -0.107
  193   1HG1  ILE  22          2HG1      ILE  22   4.736  -2.686  -2.686
  194   2HG1  ILE  22          1HG1      ILE  22   3.732  -1.927  -1.927
  195   1HG2  ILE  22          1HG2      ILE  22   7.227  -2.486  -2.486
  196   2HG2  ILE  22          3HG2      ILE  22   6.694  -1.226  -1.226
  197   3HG2  ILE  22          2HG2      ILE  22   7.776  -0.825  -0.825
  198   1HD1  ILE  22          1HD1      ILE  22   4.754  -0.413  -0.413
  199   2HD1  ILE  22          3HD1      ILE  22   3.214  -1.272  -1.272
  200   3HD1  ILE  22          2HD1      ILE  22   3.475   0.063   0.063
  201    H    GLU  23           H        GLU  23   6.608   0.216   0.216
  202    HA   GLU  23           HA       GLU  23   9.467  -0.026  -0.026
  203   1HB   GLU  23          2HB       GLU  23   8.082   2.026   2.026
  204   2HB   GLU  23          1HB       GLU  23   7.744   1.303   1.303
  205   1HG   GLU  23          2HG       GLU  23  10.023   1.395   1.395
  206   2HG   GLU  23          1HG       GLU  23  10.568   1.687   1.687
  207    H    LYS  24           H        LYS  24   6.983  -1.042  -1.042
  208    HA   LYS  24           HA       LYS  24   8.986  -2.550  -2.550
  209   1HB   LYS  24          2HB       LYS  24   7.262  -0.983  -0.983
  210   2HB   LYS  24          1HB       LYS  24   6.013  -2.086  -2.086
  211   1HG   LYS  24          2HG       LYS  24   6.786  -3.855  -3.855
  212   2HG   LYS  24          1HG       LYS  24   8.292  -3.009  -3.009
  213   1HD   LYS  24          2HD       LYS  24   5.753  -1.606  -1.606
  214   2HD   LYS  24          1HD       LYS  24   6.212  -2.978  -2.978
  215   1HE   LYS  24          2HE       LYS  24   8.588  -1.788  -1.788
  216   2HE   LYS  24          1HE       LYS  24   7.609  -0.348  -0.348
  217   1HZ   LYS  24          3HZ       LYS  24   7.042  -2.276  -2.276
  218   2HZ   LYS  24          2HZ       LYS  24   7.842  -0.792  -0.792
  219   3HZ   LYS  24          1HZ       LYS  24   6.226  -0.822  -0.822
  220    H    PHE  25           H        PHE  25   7.856  -3.234  -3.234
  221    HA   PHE  25           HA       PHE  25   7.104  -6.041  -6.041
  222   1HB   PHE  25          2HB       PHE  25   4.996  -4.964  -4.964
  223   2HB   PHE  25          1HB       PHE  25   5.607  -3.971  -3.971
  224    HD1  PHE  25          2HD       PHE  25   5.909  -7.643  -7.643
  225    HD2  PHE  25          1HD       PHE  25   4.374  -4.487  -4.487
  226    HE1  PHE  25          2HE       PHE  25   5.200  -9.320  -9.320
  227    HE2  PHE  25          1HE       PHE  25   3.644  -6.180  -6.180
  228   1HZ   PHE  25           HZ       PHE  25   4.054  -8.594  -8.594
  229    H    LYS  26           H        LYS  26   9.641  -4.985  -4.985
  230    HA   LYS  26           HA       LYS  26   9.896  -5.597  -5.597
  231   1HB   LYS  26          2HB       LYS  26  11.115  -3.678  -3.678
  232   2HB   LYS  26          1HB       LYS  26  11.921  -4.823  -4.823
  233   1HG   LYS  26          2HG       LYS  26  13.529  -4.784  -4.784
  234   2HG   LYS  26          1HG       LYS  26  12.471  -5.965  -5.965
  235   1HD   LYS  26          2HD       LYS  26  11.510  -4.341  -4.341
  236   2HD   LYS  26          1HD       LYS  26  12.116  -3.003  -3.003
  237   1HE   LYS  26          2HE       LYS  26  14.287  -3.194  -3.194
  238   2HE   LYS  26          1HE       LYS  26  14.080  -4.908  -4.908
  239   1HZ   LYS  26          2HZ       LYS  26  12.402  -4.227  -4.227
  240   2HZ   LYS  26          1HZ       LYS  26  12.750  -2.597  -2.597
  241   3HZ   LYS  26          3HZ       LYS  26  13.938  -3.596  -3.596
  242    H    GLY  27           H        GLY  27   8.878  -7.702  -7.702
  243   1HA   GLY  27          2HA       GLY  27   9.289 -10.014 -10.014
  244   2HA   GLY  27          1HA       GLY  27  11.028  -9.679  -9.679
  245    H    ARG  28           H        ARG  28   8.989  -7.790  -7.790
  246    HA   ARG  28           HA       ARG  28   8.940  -7.552  -7.552
  247   1HB   ARG  28          2HB       ARG  28   7.750  -9.813  -9.813
  248   2HB   ARG  28          1HB       ARG  28   9.112 -10.551 -10.551
  249   1HG   ARG  28          2HG       ARG  28   8.411  -9.827  -9.827
  250   2HG   ARG  28          1HG       ARG  28   7.792  -8.302  -8.302
  251   1HD   ARG  28          2HD       ARG  28   5.907  -9.688  -9.688
  252   2HD   ARG  28          1HD       ARG  28   6.442 -11.013 -11.013
  253    HE   ARG  28           HE       ARG  28   6.284  -8.889  -8.889
  254   1HH1  ARG  28          1HH2      ARG  28   4.046 -10.247 -10.247
  255   2HH1  ARG  28          2HH2      ARG  28   2.656  -9.762  -9.762
  256   1HH2  ARG  28          1HH1      ARG  28   4.460  -8.280  -8.280
  257   2HH2  ARG  28          2HH1      ARG  28   2.886  -8.659  -8.659

  Start of MODEL    5
    1   1H    GLN   1          1HT       GLN   1 -13.730   7.181   7.181
    2   2H    GLN   1          3HT       GLN   1 -14.727   5.811   5.811
    3   3H    GLN   1          2HT       GLN   1 -13.204   5.715   5.715
    4    HA   GLN   1           HA       GLN   1 -13.157   4.692   4.692
    5   1HB   GLN   1          2HB       GLN   1 -15.008   6.523   6.523
    6   2HB   GLN   1          1HB       GLN   1 -13.604   7.425   7.425
    7   1HG   GLN   1          2HG       GLN   1 -13.015   5.714   5.714
    8   2HG   GLN   1          1HG       GLN   1 -14.142   4.568   4.568
    9   1HE2  GLN   1          2HE2      GLN   1 -16.353   5.544   5.544
   10   2HE2  GLN   1          1HE2      GLN   1 -15.359   4.306   4.306
   11    H    GLN   2           H        GLN   2 -11.251   5.507   5.507
   12    HA   GLN   2           HA       GLN   2  -9.420   7.500   7.500
   13   1HB   GLN   2          2HB       GLN   2  -9.635   5.656   5.656
   14   2HB   GLN   2          1HB       GLN   2  -7.993   6.082   6.082
   15   1HG   GLN   2          2HG       GLN   2  -8.261   8.307   8.307
   16   2HG   GLN   2          1HG       GLN   2  -9.987   8.294   8.294
   17   1HE2  GLN   2          2HE2      GLN   2  -8.854   7.883   7.883
   18   2HE2  GLN   2          1HE2      GLN   2  -7.837   8.452   8.452
   19    H    TYR   3           H        TYR   3  -8.428   4.171   4.171
   20    HA   TYR   3           HA       TYR   3  -7.386   3.868   3.868
   21   1HB   TYR   3          2HB       TYR   3  -5.989   3.990   3.990
   22   2HB   TYR   3          1HB       TYR   3  -5.421   2.763   2.763
   23    HD1  TYR   3          1HD       TYR   3  -6.320   6.382   6.382
   24    HD2  TYR   3          2HD       TYR   3  -3.987   3.347   3.347
   25    HE1  TYR   3          1HE       TYR   3  -5.198   8.125   8.125
   26    HE2  TYR   3          2HE       TYR   3  -2.839   5.094   5.094
   27    HH   TYR   3           HH       TYR   3  -3.979   8.316   8.316
   28    H    THR   4           H        THR   4  -8.567   2.162   2.162
   29    HA   THR   4           HA       THR   4  -9.145  -0.149  -0.149
   30    HB   THR   4           HB       THR   4  -9.844   0.422   0.422
   31    HG1  THR   4          1HG       THR   4 -10.892   1.981   1.981
   32   1HG2  THR   4          3HG2      THR   4 -10.682  -1.621  -1.621
   33   2HG2  THR   4          2HG2      THR   4 -11.854  -1.080  -1.080
   34   3HG2  THR   4          1HG2      THR   4 -10.342  -1.826  -1.826
   35    H    ALA   5           H        ALA   5  -6.613   0.804   0.804
   36    HA   ALA   5           HA       ALA   5  -5.895  -1.276  -1.276
   37   1HB   ALA   5          1HB       ALA   5  -4.757   0.988   0.988
   38   2HB   ALA   5          3HB       ALA   5  -3.825  -0.130  -0.130
   39   3HB   ALA   5          2HB       ALA   5  -3.803  -0.285  -0.285
   40    H    LYS   6           H        LYS   6  -6.434  -3.369  -3.369
   41    HA   LYS   6           HA       LYS   6  -5.475  -4.339  -4.339
   42   1HB   LYS   6          2HB       LYS   6  -6.551  -6.435  -6.435
   43   2HB   LYS   6          1HB       LYS   6  -7.619  -5.049  -5.049
   44   1HG   LYS   6          2HG       LYS   6  -5.947  -5.399  -5.399
   45   2HG   LYS   6          1HG       LYS   6  -6.827  -6.883  -6.883
   46   1HD   LYS   6          2HD       LYS   6  -8.866  -5.232  -5.232
   47   2HD   LYS   6          1HD       LYS   6  -7.898  -4.171  -4.171
   48   1HE   LYS   6          2HE       LYS   6  -8.084  -6.974  -6.974
   49   2HE   LYS   6          1HE       LYS   6  -9.599  -6.053  -6.053
   50   1HZ   LYS   6          1HZ       LYS   6  -6.999  -5.018  -5.018
   51   2HZ   LYS   6          3HZ       LYS   6  -8.167  -5.735  -5.735
   52   3HZ   LYS   6          2HZ       LYS   6  -8.526  -4.293  -4.293
   53    H    ILE   7           H        ILE   7  -3.160  -3.632  -3.632
   54    HA   ILE   7           HA       ILE   7  -1.731  -5.056  -5.056
   55    HB   ILE   7           HB       ILE   7  -0.821  -3.115  -3.115
   56   1HG1  ILE   7          2HG1      ILE   7   0.891  -5.358  -5.358
   57   2HG1  ILE   7          1HG1      ILE   7   0.826  -4.905  -4.905
   58   1HG2  ILE   7          2HG2      ILE   7  -1.825  -4.169  -4.169
   59   2HG2  ILE   7          1HG2      ILE   7  -0.095  -3.907  -3.907
   60   3HG2  ILE   7          3HG2      ILE   7  -1.132  -2.575  -2.575
   61   1HD1  ILE   7          2HD1      ILE   7   1.310  -2.757  -2.757
   62   2HD1  ILE   7          1HD1      ILE   7   2.639  -3.846  -3.846
   63   3HD1  ILE   7          3HD1      ILE   7   1.882  -2.877  -2.877
   64    H    LYS   8           H        LYS   8  -0.567  -5.875  -5.875
   65    HA   LYS   8           HA       LYS   8  -0.239  -8.630  -8.630
   66   1HB   LYS   8          2HB       LYS   8   0.071  -6.807  -6.807
   67   2HB   LYS   8          1HB       LYS   8  -0.247  -8.480  -8.480
   68   1HG   LYS   8          2HG       LYS   8   1.753  -8.078  -8.078
   69   2HG   LYS   8          1HG       LYS   8   2.240  -7.548  -7.548
   70   1HD   LYS   8          2HD       LYS   8   2.004  -9.705  -9.705
   71   2HD   LYS   8          1HD       LYS   8   0.985 -10.257 -10.257
   72   1HE   LYS   8          2HE       LYS   8   3.677  -9.346  -9.346
   73   2HE   LYS   8          1HE       LYS   8   3.658 -10.809 -10.809
   74   1HZ   LYS   8          2HZ       LYS   8   1.949 -11.738 -11.738
   75   2HZ   LYS   8          1HZ       LYS   8   1.965 -10.343 -10.343
   76   3HZ   LYS   8          3HZ       LYS   8   3.327 -11.352 -11.352
   77    H    GLY   9           H        GLY   9  -2.905  -6.771  -6.771
   78   1HA   GLY   9          2HA       GLY   9  -5.078  -8.187  -8.187
   79   2HA   GLY   9          1HA       GLY   9  -4.384  -9.213  -9.213
   80    H    ARG  10           H        ARG  10  -4.654  -5.656  -5.656
   81    HA   ARG  10           HA       ARG  10  -6.409  -5.459  -5.459
   82   1HB   ARG  10          2HB       ARG  10  -4.660  -3.944  -3.944
   83   2HB   ARG  10          1HB       ARG  10  -4.376  -5.686  -5.686
   84   1HG   ARG  10          2HG       ARG  10  -3.197  -4.553  -4.553
   85   2HG   ARG  10          1HG       ARG  10  -2.632  -3.690  -3.690
   86   1HD   ARG  10          2HD       ARG  10  -2.503  -6.700  -6.700
   87   2HD   ARG  10          1HD       ARG  10  -1.129  -5.574  -5.574
   88    HE   ARG  10           HE       ARG  10  -2.333  -5.035  -5.035
   89   1HH1  ARG  10          1HH2      ARG  10  -1.208  -7.973  -7.973
   90   2HH1  ARG  10          2HH2      ARG  10  -0.845  -8.737  -8.737
   91   1HH2  ARG  10          1HH1      ARG  10  -1.849  -6.063  -6.063
   92   2HH2  ARG  10          2HH1      ARG  10  -1.204  -7.671  -7.671
   93    H    THR  11           H        THR  11  -7.588  -3.596  -3.596
   94    HA   THR  11           HA       THR  11  -7.133  -1.637  -1.637
   95    HB   THR  11           HB       THR  11  -9.230  -0.692  -0.692
   96    HG1  THR  11          1HG       THR  11  -9.285  -1.802  -1.802
   97   1HG2  THR  11          3HG2      THR  11  -9.049  -2.115  -2.115
   98   2HG2  THR  11          2HG2      THR  11  -9.670  -3.413  -3.413
   99   3HG2  THR  11          1HG2      THR  11 -10.613  -1.939  -1.939
  100    H    PHE  12           H        PHE  12  -5.923   0.243   0.243
  101    HA   PHE  12           HA       PHE  12  -4.944   0.627   0.627
  102   1HB   PHE  12          2HB       PHE  12  -4.312   1.748   1.748
  103   2HB   PHE  12          1HB       PHE  12  -3.535   2.353   2.353
  104    HD1  PHE  12          1HD       PHE  12  -4.340  -0.910  -0.910
  105    HD2  PHE  12          2HD       PHE  12  -1.612   1.296   1.296
  106    HE1  PHE  12          1HE       PHE  12  -2.777  -2.806  -2.806
  107    HE2  PHE  12          2HE       PHE  12  -0.044  -0.629  -0.629
  108   1HZ   PHE  12           HZ       PHE  12  -0.629  -2.678  -2.678
  109    H    ARG  13           H        ARG  13  -5.160   2.584   2.584
  110    HA   ARG  13           HA       ARG  13  -7.691   3.996   3.996
  111   1HB   ARG  13          2HB       ARG  13  -6.209   3.283   3.283
  112   2HB   ARG  13          1HB       ARG  13  -5.542   4.898   4.898
  113   1HG   ARG  13          2HG       ARG  13  -7.989   5.701   5.701
  114   2HG   ARG  13          1HG       ARG  13  -8.402   4.126   4.126
  115   1HD   ARG  13          2HD       ARG  13  -6.330   4.915   4.915
  116   2HD   ARG  13          1HD       ARG  13  -7.161   6.449   6.449
  117    HE   ARG  13           HE       ARG  13  -8.257   4.215   4.215
  118   1HH1  ARG  13          1HH2      ARG  13  -9.060   6.880   6.880
  119   2HH1  ARG  13          2HH2      ARG  13 -10.677   7.001   7.001
  120   1HH2  ARG  13          1HH1      ARG  13 -10.358   4.408   4.408
  121   2HH2  ARG  13          2HH1      ARG  13 -11.406   5.617   5.617
  122    H    ASN  14           H        ASN  14  -4.375   4.548   4.548
  123    HA   ASN  14           HA       ASN  14  -5.146   7.012   7.012
  124   1HB   ASN  14          2HB       ASN  14  -3.492   8.386   8.386
  125   2HB   ASN  14          1HB       ASN  14  -4.727   7.752   7.752
  126   1HD2  ASN  14          2HD2      ASN  14  -2.358   6.106   6.106
  127   2HD2  ASN  14          1HD2      ASN  14  -3.918   6.757   6.757
  128    H    GLU  15           H        GLU  15  -3.248   7.864   7.864
  129    HA   GLU  15           HA       GLU  15  -1.903   5.781   5.781
  130   1HB   GLU  15          2HB       GLU  15  -2.538   8.234   8.234
  131   2HB   GLU  15          1HB       GLU  15  -0.991   8.640   8.640
  132   1HG   GLU  15          2HG       GLU  15   0.156   7.079   7.079
  133   2HG   GLU  15          1HG       GLU  15  -1.391   6.684   6.684
  134    H    LYS  16           H        LYS  16  -0.845   7.968   7.968
  135    HA   LYS  16           HA       LYS  16   1.905   7.572   7.572
  136   1HB   LYS  16          2HB       LYS  16   0.250   8.929   8.929
  137   2HB   LYS  16          1HB       LYS  16   0.236   7.492   7.492
  138   1HG   LYS  16          2HG       LYS  16   2.056   8.455   8.455
  139   2HG   LYS  16          1HG       LYS  16   2.920   7.799   7.799
  140   1HD   LYS  16          2HD       LYS  16   2.880   9.867   9.867
  141   2HD   LYS  16          1HD       LYS  16   1.608  10.515  10.515
  142   1HE   LYS  16          2HE       LYS  16   3.118  10.698  10.698
  143   2HE   LYS  16          1HE       LYS  16   4.383   9.802   9.802
  144   1HZ   LYS  16          1HZ       LYS  16   4.345  11.523  11.523
  145   2HZ   LYS  16          3HZ       LYS  16   3.200  12.401  12.401
  146   3HZ   LYS  16          2HZ       LYS  16   4.764  12.171  12.171
  147    H    GLU  17           H        GLU  17  -0.574   5.430   5.430
  148    HA   GLU  17           HA       GLU  17   1.364   3.527   3.527
  149   1HB   GLU  17          2HB       GLU  17  -1.602   3.314   3.314
  150   2HB   GLU  17          1HB       GLU  17  -0.701   2.148   2.148
  151   1HG   GLU  17          2HG       GLU  17  -0.523   5.016   5.016
  152   2HG   GLU  17          1HG       GLU  17  -2.039   4.175   4.175
  153    H    LEU  18           H        LEU  18  -0.833   3.478   3.478
  154    HA   LEU  18           HA       LEU  18   0.079   1.032   1.032
  155   1HB   LEU  18          2HB       LEU  18  -1.887   2.390   2.390
  156   2HB   LEU  18          1HB       LEU  18  -0.780   3.601   3.601
  157    HG   LEU  18           HG       LEU  18   0.208   1.842   1.842
  158   1HD1  LEU  18          3HD1      LEU  18  -1.939   0.197   0.197
  159   2HD1  LEU  18          2HD1      LEU  18  -1.331  -0.226  -0.226
  160   3HD1  LEU  18          1HD1      LEU  18  -0.233  -0.193  -0.193
  161   1HD2  LEU  18          1HD2      LEU  18  -1.897   3.356   3.356
  162   2HD2  LEU  18          3HD2      LEU  18  -1.442   2.074   2.074
  163   3HD2  LEU  18          2HD2      LEU  18  -2.755   1.815   1.815
  164    H    ARG  19           H        ARG  19   1.548   4.198   4.198
  165    HA   ARG  19           HA       ARG  19   3.625   3.646   3.646
  166   1HB   ARG  19          2HB       ARG  19   2.684   5.896   5.896
  167   2HB   ARG  19          1HB       ARG  19   3.155   5.868   5.868
  168   1HG   ARG  19          2HG       ARG  19   5.371   5.303   5.303
  169   2HG   ARG  19          1HG       ARG  19   4.686   6.920   6.920
  170   1HD   ARG  19          2HD       ARG  19   5.354   7.573   7.573
  171   2HD   ARG  19          1HD       ARG  19   5.236   5.928   5.928
  172    HE   ARG  19           HE       ARG  19   7.278   6.109   6.109
  173   1HH1  ARG  19          1HH2      ARG  19   6.615   6.747   6.747
  174   2HH1  ARG  19          2HH2      ARG  19   8.279   6.618   6.618
  175   1HH2  ARG  19          1HH1      ARG  19   9.416   5.949   5.949
  176   2HH2  ARG  19          2HH1      ARG  19   9.848   6.170   6.170
  177    H    ASP  20           H        ASP  20   3.158   3.474   3.474
  178    HA   ASP  20           HA       ASP  20   6.059   2.880   2.880
  179   1HB   ASP  20          2HB       ASP  20   4.596   4.491   4.491
  180   2HB   ASP  20          1HB       ASP  20   3.882   3.032   3.032
  181    H    PHE  21           H        PHE  21   3.697   1.060   1.060
  182    HA   PHE  21           HA       PHE  21   3.911  -1.229  -1.229
  183   1HB   PHE  21          2HB       PHE  21   1.751  -0.502  -0.502
  184   2HB   PHE  21          1HB       PHE  21   2.443  -0.889  -0.889
  185    HD1  PHE  21          2HD       PHE  21   2.923  -3.200  -3.200
  186    HD2  PHE  21          1HD       PHE  21   1.171  -2.254  -2.254
  187    HE1  PHE  21          2HE       PHE  21   2.346  -5.588  -5.588
  188    HE2  PHE  21          1HE       PHE  21   0.604  -4.638  -4.638
  189   1HZ   PHE  21           HZ       PHE  21   1.183  -6.310  -6.310
  190    H    ILE  22           H        ILE  22   4.382  -0.573  -0.573
  191    HA   ILE  22           HA       ILE  22   5.850  -2.970  -2.970
  192    HB   ILE  22           HB       ILE  22   5.828  -0.293  -0.293
  193   1HG1  ILE  22          2HG1      ILE  22   4.262  -2.844  -2.844
  194   2HG1  ILE  22          1HG1      ILE  22   3.611  -1.393  -1.393
  195   1HG2  ILE  22          2HG2      ILE  22   7.154  -2.884  -2.884
  196   2HG2  ILE  22          1HG2      ILE  22   6.309  -2.143  -2.143
  197   3HG2  ILE  22          3HG2      ILE  22   7.589  -1.260  -1.260
  198   1HD1  ILE  22          3HD1      ILE  22   4.944  -0.944  -0.944
  199   2HD1  ILE  22          2HD1      ILE  22   3.468  -1.906  -1.906
  200   3HD1  ILE  22          1HD1      ILE  22   3.430  -0.284  -0.284
  201    H    GLU  23           H        GLU  23   6.755   0.212   0.212
  202    HA   GLU  23           HA       GLU  23   9.593   0.010   0.010
  203   1HB   GLU  23          2HB       GLU  23   8.299   2.082   2.082
  204   2HB   GLU  23          1HB       GLU  23   7.943   1.430   1.430
  205   1HG   GLU  23          2HG       GLU  23   9.817   2.667   2.667
  206   2HG   GLU  23          1HG       GLU  23  10.602   1.156   1.156
  207    H    LYS  24           H        LYS  24   7.379  -0.852  -0.852
  208    HA   LYS  24           HA       LYS  24   9.533  -2.109  -2.109
  209   1HB   LYS  24          2HB       LYS  24   7.705  -0.742  -0.742
  210   2HB   LYS  24          1HB       LYS  24   6.520  -1.891  -1.891
  211   1HG   LYS  24          2HG       LYS  24   6.814  -3.217  -3.217
  212   2HG   LYS  24          1HG       LYS  24   8.538  -3.348  -3.348
  213   1HD   LYS  24          2HD       LYS  24   8.705  -2.311  -2.311
  214   2HD   LYS  24          1HD       LYS  24   8.498  -0.866  -0.866
  215   1HE   LYS  24          2HE       LYS  24   5.883  -1.608  -1.608
  216   2HE   LYS  24          1HE       LYS  24   6.650  -2.063  -2.063
  217   1HZ   LYS  24          1HZ       LYS  24   7.785   0.148   0.148
  218   2HZ   LYS  24          3HZ       LYS  24   6.769   0.569   0.569
  219   3HZ   LYS  24          2HZ       LYS  24   6.105   0.227   0.227
  220    H    PHE  25           H        PHE  25   8.028  -3.082  -3.082
  221    HA   PHE  25           HA       PHE  25   7.287  -5.825  -5.825
  222   1HB   PHE  25          2HB       PHE  25   5.741  -4.596  -4.596
  223   2HB   PHE  25          1HB       PHE  25   7.034  -4.088  -4.088
  224    HD1  PHE  25          2HD       PHE  25   6.587  -7.549  -7.549
  225    HD2  PHE  25          1HD       PHE  25   6.162  -4.856  -4.856
  226    HE1  PHE  25          2HE       PHE  25   6.153  -9.472  -9.472
  227    HE2  PHE  25          1HE       PHE  25   5.725  -6.793  -6.793
  228   1HZ   PHE  25           HZ       PHE  25   5.720  -9.100  -9.100
  229    H    LYS  26           H        LYS  26   8.859  -4.694  -4.694
  230    HA   LYS  26           HA       LYS  26  11.482  -5.685  -5.685
  231   1HB   LYS  26          2HB       LYS  26   9.462  -7.724  -7.724
  232   2HB   LYS  26          1HB       LYS  26  10.544  -7.777  -7.777
  233   1HG   LYS  26          2HG       LYS  26  12.489  -7.920  -7.920
  234   2HG   LYS  26          1HG       LYS  26  11.436  -7.804  -7.804
  235   1HD   LYS  26          2HD       LYS  26  11.541 -10.090 -10.090
  236   2HD   LYS  26          1HD       LYS  26  10.252  -9.874  -9.874
  237   1HE   LYS  26          2HE       LYS  26  11.741 -10.128 -10.128
  238   2HE   LYS  26          1HE       LYS  26  13.169  -9.872  -9.872
  239   1HZ   LYS  26          3HZ       LYS  26  11.244 -12.096 -12.096
  240   2HZ   LYS  26          2HZ       LYS  26  12.678 -12.256 -12.256
  241   3HZ   LYS  26          1HZ       LYS  26  12.746 -11.886 -11.886
  242    H    GLY  27           H        GLY  27   8.805  -5.373  -5.373
  243   1HA   GLY  27          2HA       GLY  27  10.307  -5.179  -5.179
  244   2HA   GLY  27          1HA       GLY  27   8.676  -4.546  -4.546
  245    H    ARG  28           H        ARG  28   9.335  -2.768  -2.768
  246    HA   ARG  28           HA       ARG  28   9.981  -0.514  -0.514
  247   1HB   ARG  28          2HB       ARG  28  12.170  -2.071  -2.071
  248   2HB   ARG  28          1HB       ARG  28  12.413  -0.999  -0.999
  249   1HG   ARG  28          2HG       ARG  28  12.205   0.964   0.964
  250   2HG   ARG  28          1HG       ARG  28  11.920  -0.090  -0.090
  251   1HD   ARG  28          2HD       ARG  28  14.139  -0.908  -0.908
  252   2HD   ARG  28          1HD       ARG  28  14.420  -0.374  -0.374
  253    HE   ARG  28           HE       ARG  28  13.782   1.965   1.965
  254   1HH1  ARG  28          1HH2      ARG  28  16.188  -0.547  -0.547
  255   2HH1  ARG  28          2HH2      ARG  28  17.339   0.524   0.524
  256   1HH2  ARG  28          1HH1      ARG  28  15.301   3.314   3.314
  257   2HH2  ARG  28          2HH1      ARG  28  16.844   2.687   2.687

  Start of MODEL    6
    1   1H    GLN   1          2HT       GLN   1 -14.932   2.603   2.603
    2   2H    GLN   1          1HT       GLN   1 -15.096   0.919   0.919
    3   3H    GLN   1          3HT       GLN   1 -13.817   1.722   1.722
    4    HA   GLN   1           HA       GLN   1 -13.019   0.576   0.576
    5   1HB   GLN   1          2HB       GLN   1 -15.477   1.913   1.913
    6   2HB   GLN   1          1HB       GLN   1 -14.127   1.974   1.974
    7   1HG   GLN   1          2HG       GLN   1 -14.019  -0.349  -0.349
    8   2HG   GLN   1          1HG       GLN   1 -14.808  -0.623  -0.623
    9   1HE2  GLN   1          2HE2      GLN   1 -17.099  -0.841  -0.841
   10   2HE2  GLN   1          1HE2      GLN   1 -15.435  -1.170  -1.170
   11    H    GLN   2           H        GLN   2 -11.169   1.737   1.737
   12    HA   GLN   2           HA       GLN   2 -10.874   4.616   4.616
   13   1HB   GLN   2          2HB       GLN   2  -9.217   2.297   2.297
   14   2HB   GLN   2          1HB       GLN   2  -8.411   3.821   3.821
   15   1HG   GLN   2          2HG       GLN   2  -8.953   3.996   3.996
   16   2HG   GLN   2          1HG       GLN   2 -10.210   4.926   4.926
   17   1HE2  GLN   2          2HE2      GLN   2 -12.824   2.734   2.734
   18   2HE2  GLN   2          1HE2      GLN   2 -12.384   4.092   4.092
   19    H    TYR   3           H        TYR   3  -8.517   2.204   2.204
   20    HA   TYR   3           HA       TYR   3  -8.579   3.562   3.562
   21   1HB   TYR   3          2HB       TYR   3  -6.407   2.438   2.438
   22   2HB   TYR   3          1HB       TYR   3  -6.153   2.578   2.578
   23    HD1  TYR   3          1HD       TYR   3  -7.592   4.621   4.621
   24    HD2  TYR   3          2HD       TYR   3  -5.160   4.555   4.555
   25    HE1  TYR   3          1HE       TYR   3  -7.159   7.045   7.045
   26    HE2  TYR   3          2HE       TYR   3  -4.718   6.973   6.973
   27    HH   TYR   3           HH       TYR   3  -5.487   8.693   8.693
   28    H    THR   4           H        THR   4  -9.323   2.275   2.275
   29    HA   THR   4           HA       THR   4  -9.903  -0.527  -0.527
   30    HB   THR   4           HB       THR   4  -9.746   1.145   1.145
   31    HG1  THR   4          1HG       THR   4 -11.275   2.171   2.171
   32   1HG2  THR   4          2HG2      THR   4 -10.823  -1.556  -1.556
   33   2HG2  THR   4          1HG2      THR   4 -11.736  -0.566  -0.566
   34   3HG2  THR   4          3HG2      THR   4 -10.060  -0.992  -0.992
   35    H    ALA   5           H        ALA   5  -6.974   1.028   1.028
   36    HA   ALA   5           HA       ALA   5  -5.770  -0.659  -0.659
   37   1HB   ALA   5          1HB       ALA   5  -5.008   1.320   1.320
   38   2HB   ALA   5          3HB       ALA   5  -3.757   0.101   0.101
   39   3HB   ALA   5          2HB       ALA   5  -4.343   1.058   1.058
   40    H    LYS   6           H        LYS   6  -6.469  -2.850  -2.850
   41    HA   LYS   6           HA       LYS   6  -5.484  -4.006  -4.006
   42   1HB   LYS   6          2HB       LYS   6  -6.760  -5.992  -5.992
   43   2HB   LYS   6          1HB       LYS   6  -7.748  -4.533  -4.533
   44   1HG   LYS   6          2HG       LYS   6  -7.901  -4.464  -4.464
   45   2HG   LYS   6          1HG       LYS   6  -6.264  -5.074  -5.074
   46   1HD   LYS   6          2HD       LYS   6  -6.925  -7.317  -7.317
   47   2HD   LYS   6          1HD       LYS   6  -8.433  -6.864  -6.864
   48   1HE   LYS   6          2HE       LYS   6  -9.222  -7.393  -7.393
   49   2HE   LYS   6          1HE       LYS   6  -8.895  -5.662  -5.662
   50   1HZ   LYS   6          2HZ       LYS   6  -6.651  -6.219  -6.219
   51   2HZ   LYS   6          1HZ       LYS   6  -6.999  -7.876  -7.876
   52   3HZ   LYS   6          3HZ       LYS   6  -7.813  -6.941  -6.941
   53    H    ILE   7           H        ILE   7  -3.309  -3.235  -3.235
   54    HA   ILE   7           HA       ILE   7  -2.159  -4.736  -4.736
   55    HB   ILE   7           HB       ILE   7  -1.121  -2.786  -2.786
   56   1HG1  ILE   7          2HG1      ILE   7   0.714  -5.023  -5.023
   57   2HG1  ILE   7          1HG1      ILE   7   0.450  -4.549  -4.549
   58   1HG2  ILE   7          3HG2      ILE   7  -1.727  -3.858  -3.858
   59   2HG2  ILE   7          2HG2      ILE   7  -0.019  -3.421  -3.421
   60   3HG2  ILE   7          1HG2      ILE   7  -1.251  -2.216  -2.216
   61   1HD1  ILE   7          2HD1      ILE   7   1.221  -2.267  -2.267
   62   2HD1  ILE   7          1HD1      ILE   7   1.476  -2.736  -2.736
   63   3HD1  ILE   7          3HD1      ILE   7   2.459  -3.457  -3.457
   64    H    LYS   8           H        LYS   8  -0.578  -5.504  -5.504
   65    HA   LYS   8           HA       LYS   8  -0.164  -8.214  -8.214
   66   1HB   LYS   8          2HB       LYS   8   0.714  -6.474  -6.474
   67   2HB   LYS   8          1HB       LYS   8  -0.367  -7.444  -7.444
   68   1HG   LYS   8          2HG       LYS   8   1.579  -8.799  -8.799
   69   2HG   LYS   8          1HG       LYS   8   2.138  -8.186  -8.186
   70   1HD   LYS   8          2HD       LYS   8   0.928  -9.726  -9.726
   71   2HD   LYS   8          1HD       LYS   8  -0.378  -9.776  -9.776
   72   1HE   LYS   8          2HE       LYS   8   0.583 -11.493 -11.493
   73   2HE   LYS   8          1HE       LYS   8   2.212 -10.808 -10.808
   74   1HZ   LYS   8          3HZ       LYS   8   0.717 -11.979 -11.979
   75   2HZ   LYS   8          2HZ       LYS   8   1.795 -12.883 -12.883
   76   3HZ   LYS   8          1HZ       LYS   8   2.358 -11.555 -11.555
   77    H    GLY   9           H        GLY   9  -2.876  -6.599  -6.599
   78   1HA   GLY   9          2HA       GLY   9  -5.029  -7.989  -7.989
   79   2HA   GLY   9          1HA       GLY   9  -4.167  -9.226  -9.226
   80    H    ARG  10           H        ARG  10  -4.748  -5.704  -5.704
   81    HA   ARG  10           HA       ARG  10  -6.035  -6.055  -6.055
   82   1HB   ARG  10          2HB       ARG  10  -4.197  -4.569  -4.569
   83   2HB   ARG  10          1HB       ARG  10  -3.834  -6.278  -6.278
   84   1HG   ARG  10          2HG       ARG  10  -3.036  -4.941  -4.941
   85   2HG   ARG  10          1HG       ARG  10  -2.459  -3.961  -3.961
   86   1HD   ARG  10          2HD       ARG  10  -2.037  -6.953  -6.953
   87   2HD   ARG  10          1HD       ARG  10  -0.906  -5.865  -5.865
   88    HE   ARG  10           HE       ARG  10  -1.253  -4.656  -4.656
   89   1HH1  ARG  10          1HH2      ARG  10  -0.345  -7.883  -7.883
   90   2HH1  ARG  10          2HH2      ARG  10   0.633  -8.149  -8.149
   91   1HH2  ARG  10          1HH1      ARG  10   0.020  -5.046  -5.046
   92   2HH2  ARG  10          2HH1      ARG  10   0.839  -6.563  -6.563
   93    H    THR  11           H        THR  11  -7.038  -4.153  -4.153
   94    HA   THR  11           HA       THR  11  -7.419  -2.015  -2.015
   95    HB   THR  11           HB       THR  11  -8.470  -2.180  -2.180
   96    HG1  THR  11          1HG       THR  11  -9.507  -3.894  -3.894
   97   1HG2  THR  11          1HG2      THR  11  -8.954  -0.495  -0.495
   98   2HG2  THR  11          3HG2      THR  11 -10.431  -1.351  -1.351
   99   3HG2  THR  11          2HG2      THR  11  -9.598  -0.352  -0.352
  100    H    PHE  12           H        PHE  12  -6.376   0.004   0.004
  101    HA   PHE  12           HA       PHE  12  -4.407   0.261   0.261
  102   1HB   PHE  12          2HB       PHE  12  -4.726   1.432   1.432
  103   2HB   PHE  12          1HB       PHE  12  -3.536   2.063   2.063
  104    HD1  PHE  12          1HD       PHE  12  -4.742  -1.316  -1.316
  105    HD2  PHE  12          2HD       PHE  12  -1.396   1.183   1.183
  106    HE1  PHE  12          1HE       PHE  12  -3.213  -3.134  -3.134
  107    HE2  PHE  12          2HE       PHE  12   0.151  -0.667  -0.667
  108   1HZ   PHE  12           HZ       PHE  12  -0.774  -2.826  -2.826
  109    H    ARG  13           H        ARG  13  -4.188   2.341   2.341
  110    HA   ARG  13           HA       ARG  13  -6.790   3.650   3.650
  111   1HB   ARG  13          2HB       ARG  13  -4.714   2.888   2.888
  112   2HB   ARG  13          1HB       ARG  13  -4.289   4.579   4.579
  113   1HG   ARG  13          2HG       ARG  13  -6.590   5.233   5.233
  114   2HG   ARG  13          1HG       ARG  13  -6.924   3.541   3.541
  115   1HD   ARG  13          2HD       ARG  13  -5.561   3.543   3.543
  116   2HD   ARG  13          1HD       ARG  13  -4.477   4.781   4.781
  117    HE   ARG  13           HE       ARG  13  -5.921   6.436   6.436
  118   1HH1  ARG  13          1HH2      ARG  13  -7.569   3.354   3.354
  119   2HH1  ARG  13          2HH2      ARG  13  -8.979   3.962   3.962
  120   1HH2  ARG  13          1HH1      ARG  13  -7.765   7.180   7.180
  121   2HH2  ARG  13          2HH1      ARG  13  -9.090   6.102   6.102
  122    H    ASN  14           H        ASN  14  -3.504   4.625   4.625
  123    HA   ASN  14           HA       ASN  14  -4.739   7.018   7.018
  124   1HB   ASN  14          2HB       ASN  14  -2.851   8.352   8.352
  125   2HB   ASN  14          1HB       ASN  14  -3.710   7.590   7.590
  126   1HD2  ASN  14          2HD2      ASN  14  -0.966   5.539   5.539
  127   2HD2  ASN  14          1HD2      ASN  14  -2.618   5.858   5.858
  128    H    GLU  15           H        GLU  15  -3.373   7.894   7.894
  129    HA   GLU  15           HA       GLU  15  -2.408   5.911   5.911
  130   1HB   GLU  15          2HB       GLU  15  -3.237   8.269   8.269
  131   2HB   GLU  15          1HB       GLU  15  -1.659   8.839   8.839
  132   1HG   GLU  15          2HG       GLU  15  -0.711   7.145   7.145
  133   2HG   GLU  15          1HG       GLU  15  -2.332   7.207   7.207
  134    H    LYS  16           H        LYS  16  -0.699   8.017   8.017
  135    HA   LYS  16           HA       LYS  16   1.971   7.534   7.534
  136   1HB   LYS  16          2HB       LYS  16   0.666   8.888   8.888
  137   2HB   LYS  16          1HB       LYS  16   1.343   7.561   7.561
  138   1HG   LYS  16          2HG       LYS  16   3.555   8.112   8.112
  139   2HG   LYS  16          1HG       LYS  16   2.783   9.663   9.663
  140   1HD   LYS  16          2HD       LYS  16   3.737  10.219  10.219
  141   2HD   LYS  16          1HD       LYS  16   2.266   9.479   9.479
  142   1HE   LYS  16          2HE       LYS  16   3.794   7.257   7.257
  143   2HE   LYS  16          1HE       LYS  16   5.060   8.461   8.461
  144   1HZ   LYS  16          1HZ       LYS  16   3.598   9.293   9.293
  145   2HZ   LYS  16          3HZ       LYS  16   2.632   7.917   7.917
  146   3HZ   LYS  16          2HZ       LYS  16   4.252   7.747   7.747
  147    H    GLU  17           H        GLU  17  -0.098   5.620   5.620
  148    HA   GLU  17           HA       GLU  17   1.834   3.611   3.611
  149   1HB   GLU  17          2HB       GLU  17  -0.869   4.201   4.201
  150   2HB   GLU  17          1HB       GLU  17  -0.913   2.632   2.632
  151   1HG   GLU  17          2HG       GLU  17  -0.700   2.255   2.255
  152   2HG   GLU  17          1HG       GLU  17   0.827   1.820   1.820
  153    H    LEU  18           H        LEU  18  -0.412   3.979   3.979
  154    HA   LEU  18           HA       LEU  18  -0.071   1.469   1.469
  155   1HB   LEU  18          2HB       LEU  18  -1.194   4.049   4.049
  156   2HB   LEU  18          1HB       LEU  18  -0.135   3.718   3.718
  157    HG   LEU  18           HG       LEU  18  -2.266   2.883   2.883
  158   1HD1  LEU  18          3HD1      LEU  18  -0.113   1.212   1.212
  159   2HD1  LEU  18          2HD1      LEU  18  -1.299   0.264   0.264
  160   3HD1  LEU  18          1HD1      LEU  18  -1.658   0.798   0.798
  161   1HD2  LEU  18          3HD2      LEU  18  -2.410   2.211   2.211
  162   2HD2  LEU  18          2HD2      LEU  18  -3.699   2.641   2.641
  163   3HD2  LEU  18          1HD2      LEU  18  -3.105   0.981   0.981
  164    H    ARG  19           H        ARG  19   1.866   4.396   4.396
  165    HA   ARG  19           HA       ARG  19   3.899   3.371   3.371
  166   1HB   ARG  19          2HB       ARG  19   3.306   5.934   5.934
  167   2HB   ARG  19          1HB       ARG  19   4.842   5.703   5.703
  168   1HG   ARG  19          2HG       ARG  19   2.247   5.142   5.142
  169   2HG   ARG  19          1HG       ARG  19   2.854   6.794   6.794
  170   1HD   ARG  19          2HD       ARG  19   4.961   6.130   6.130
  171   2HD   ARG  19          1HD       ARG  19   4.407   4.444   4.444
  172    HE   ARG  19           HE       ARG  19   3.511   6.599   6.599
  173   1HH1  ARG  19          1HH2      ARG  19   2.576   3.598   3.598
  174   2HH1  ARG  19          2HH2      ARG  19   1.361   3.255   3.255
  175   1HH2  ARG  19          1HH1      ARG  19   1.930   6.114   6.114
  176   2HH2  ARG  19          2HH1      ARG  19   0.999   4.662   4.662
  177    H    ASP  20           H        ASP  20   3.380   3.582   3.582
  178    HA   ASP  20           HA       ASP  20   6.290   3.048   3.048
  179   1HB   ASP  20          2HB       ASP  20   4.671   4.953   4.953
  180   2HB   ASP  20          1HB       ASP  20   4.428   3.677   3.677
  181    H    PHE  21           H        PHE  21   3.656   1.184   1.184
  182    HA   PHE  21           HA       PHE  21   3.950  -0.584  -0.584
  183   1HB   PHE  21          2HB       PHE  21   1.716  -0.357  -0.357
  184   2HB   PHE  21          1HB       PHE  21   2.234  -0.513  -0.513
  185    HD1  PHE  21          2HD       PHE  21   3.102  -2.594  -2.594
  186    HD2  PHE  21          1HD       PHE  21   1.174  -2.421  -2.421
  187    HE1  PHE  21          2HE       PHE  21   2.760  -5.040  -5.040
  188    HE2  PHE  21          1HE       PHE  21   0.841  -4.879  -4.879
  189   1HZ   PHE  21           HZ       PHE  21   1.625  -6.192  -6.192
  190    H    ILE  22           H        ILE  22   4.170  -0.958  -0.958
  191    HA   ILE  22           HA       ILE  22   5.631  -3.391  -3.391
  192    HB   ILE  22           HB       ILE  22   5.584  -1.145  -1.145
  193   1HG1  ILE  22          2HG1      ILE  22   3.336  -1.996  -1.996
  194   2HG1  ILE  22          1HG1      ILE  22   3.810  -2.478  -2.478
  195   1HG2  ILE  22          3HG2      ILE  22   7.438  -2.854  -2.854
  196   2HG2  ILE  22          2HG2      ILE  22   6.176  -4.064  -4.064
  197   3HG2  ILE  22          1HG2      ILE  22   6.338  -2.726  -2.726
  198   1HD1  ILE  22          3HD1      ILE  22   4.645  -4.666  -4.666
  199   2HD1  ILE  22          2HD1      ILE  22   3.731  -4.172  -4.172
  200   3HD1  ILE  22          1HD1      ILE  22   2.899  -4.445  -4.445
  201    H    GLU  23           H        GLU  23   6.662  -0.002  -0.002
  202    HA   GLU  23           HA       GLU  23   9.468  -0.378  -0.378
  203   1HB   GLU  23          2HB       GLU  23   8.169   1.784   1.784
  204   2HB   GLU  23          1HB       GLU  23   8.017   1.632   1.632
  205   1HG   GLU  23          2HG       GLU  23   9.943   2.861   2.861
  206   2HG   GLU  23          1HG       GLU  23  10.698   1.292   1.292
  207    H    LYS  24           H        LYS  24   7.398  -0.413  -0.413
  208    HA   LYS  24           HA       LYS  24   9.623  -1.185  -1.185
  209   1HB   LYS  24          2HB       LYS  24   7.767   0.385   0.385
  210   2HB   LYS  24          1HB       LYS  24   6.626  -0.951  -0.951
  211   1HG   LYS  24          2HG       LYS  24   7.176  -1.796  -1.796
  212   2HG   LYS  24          1HG       LYS  24   8.903  -1.642  -1.642
  213   1HD   LYS  24          2HD       LYS  24   9.048   0.278   0.278
  214   2HD   LYS  24          1HD       LYS  24   7.640   0.968   0.968
  215   1HE   LYS  24          2HE       LYS  24   6.301  -0.726  -0.726
  216   2HE   LYS  24          1HE       LYS  24   7.766  -0.647  -0.647
  217   1HZ   LYS  24          2HZ       LYS  24   6.393   1.756   1.756
  218   2HZ   LYS  24          1HZ       LYS  24   6.080   1.128   1.128
  219   3HZ   LYS  24          3HZ       LYS  24   7.629   1.703   1.703
  220    H    PHE  25           H        PHE  25   7.992  -2.881  -2.881
  221    HA   PHE  25           HA       PHE  25   7.852  -5.390  -5.390
  222   1HB   PHE  25          2HB       PHE  25   5.639  -4.728  -4.728
  223   2HB   PHE  25          1HB       PHE  25   6.130  -4.117  -4.117
  224    HD1  PHE  25          1HD       PHE  25   6.517  -7.355  -7.355
  225    HD2  PHE  25          2HD       PHE  25   5.280  -5.342  -5.342
  226    HE1  PHE  25          1HE       PHE  25   5.965  -9.530  -9.530
  227    HE2  PHE  25          2HE       PHE  25   4.716  -7.536  -7.536
  228   1HZ   PHE  25           HZ       PHE  25   5.058  -9.634  -9.634
  229    H    LYS  26           H        LYS  26   7.545  -4.972  -4.972
  230    HA   LYS  26           HA       LYS  26   8.781  -5.914  -5.914
  231   1HB   LYS  26          2HB       LYS  26  10.292  -4.109  -4.109
  232   2HB   LYS  26          1HB       LYS  26  11.354  -5.509  -5.509
  233   1HG   LYS  26          2HG       LYS  26  11.247  -5.476  -5.476
  234   2HG   LYS  26          1HG       LYS  26   9.932  -4.300  -4.300
  235   1HD   LYS  26          2HD       LYS  26  11.348  -2.545  -2.545
  236   2HD   LYS  26          1HD       LYS  26  12.604  -3.657  -3.657
  237   1HE   LYS  26          2HE       LYS  26  11.872  -3.822  -3.822
  238   2HE   LYS  26          1HE       LYS  26  12.768  -2.379  -2.379
  239   1HZ   LYS  26          3HZ       LYS  26  13.530  -5.149  -5.149
  240   2HZ   LYS  26          2HZ       LYS  26  14.209  -4.314  -4.314
  241   3HZ   LYS  26          1HZ       LYS  26  14.423  -3.732  -3.732
  242    H    GLY  27           H        GLY  27   7.921  -7.638  -7.638
  243   1HA   GLY  27          2HA       GLY  27   8.162  -9.978  -9.978
  244   2HA   GLY  27          1HA       GLY  27   9.778  -9.889  -9.889
  245    H    ARG  28           H        ARG  28   8.571  -7.710  -7.710
  246    HA   ARG  28           HA       ARG  28   9.382  -7.132  -7.132
  247   1HB   ARG  28          2HB       ARG  28   9.675 -10.162 -10.162
  248   2HB   ARG  28          1HB       ARG  28   9.648  -9.128  -9.128
  249   1HG   ARG  28          2HG       ARG  28   7.384  -8.406  -8.406
  250   2HG   ARG  28          1HG       ARG  28   7.404  -9.274  -9.274
  251   1HD   ARG  28          2HD       ARG  28   7.587 -11.421 -11.421
  252   2HD   ARG  28          1HD       ARG  28   7.683 -10.588 -10.588
  253    HE   ARG  28           HE       ARG  28   5.373  -9.562  -9.562
  254   1HH1  ARG  28          1HH2      ARG  28   6.543 -12.821 -12.821
  255   2HH1  ARG  28          2HH2      ARG  28   4.950 -13.468 -13.468
  256   1HH2  ARG  28          1HH1      ARG  28   3.333 -10.443 -10.443
  257   2HH2  ARG  28          2HH1      ARG  28   3.152 -12.139 -12.139

  Start of MODEL    7
    1   1H    GLN   1          1HT       GLN   1 -15.282   5.150   5.150
    2   2H    GLN   1          3HT       GLN   1 -15.346   4.669   4.669
    3   3H    GLN   1          2HT       GLN   1 -16.034   3.685   3.685
    4    HA   GLN   1           HA       GLN   1 -13.877   3.191   3.191
    5   1HB   GLN   1          2HB       GLN   1 -14.688   2.768   2.768
    6   2HB   GLN   1          1HB       GLN   1 -12.994   2.412   2.412
    7   1HG   GLN   1          2HG       GLN   1 -13.607   0.443   0.443
    8   2HG   GLN   1          1HG       GLN   1 -14.491   1.312   1.312
    9   1HE2  GLN   1          2HE2      GLN   1 -17.430  -0.201  -0.201
   10   2HE2  GLN   1          1HE2      GLN   1 -16.389   0.011   0.011
   11    H    GLN   2           H        GLN   2 -11.544   3.482   3.482
   12    HA   GLN   2           HA       GLN   2 -10.783   6.167   6.167
   13   1HB   GLN   2          2HB       GLN   2  -9.957   4.362   4.362
   14   2HB   GLN   2          1HB       GLN   2  -8.730   5.441   5.441
   15   1HG   GLN   2          2HG       GLN   2 -10.196   7.372   7.372
   16   2HG   GLN   2          1HG       GLN   2 -11.462   6.312   6.312
   17   1HE2  GLN   2          2HE2      GLN   2  -9.864   5.803   5.803
   18   2HE2  GLN   2          1HE2      GLN   2 -11.002   5.161   5.161
   19    H    TYR   3           H        TYR   3  -8.503   3.502   3.502
   20    HA   TYR   3           HA       TYR   3  -7.750   3.678   3.678
   21   1HB   TYR   3          2HB       TYR   3  -6.266   3.401   3.401
   22   2HB   TYR   3          1HB       TYR   3  -5.558   2.694   2.694
   23    HD1  TYR   3          2HD       TYR   3  -7.444   5.799   5.799
   24    HD2  TYR   3          1HD       TYR   3  -4.062   4.070   4.070
   25    HE1  TYR   3          2HE       TYR   3  -6.770   8.051   8.051
   26    HE2  TYR   3          1HE       TYR   3  -3.363   6.329   6.329
   27    HH   TYR   3           HH       TYR   3  -4.542   8.566   8.566
   28    H    THR   4           H        THR   4  -9.138   2.057   2.057
   29    HA   THR   4           HA       THR   4  -9.193  -0.610  -0.610
   30    HB   THR   4           HB       THR   4 -10.090   0.258   0.258
   31    HG1  THR   4          1HG       THR   4 -11.682   1.317   1.317
   32   1HG2  THR   4          3HG2      THR   4 -10.188  -2.165  -2.165
   33   2HG2  THR   4          2HG2      THR   4 -11.225  -1.758  -1.758
   34   3HG2  THR   4          1HG2      THR   4 -11.783  -1.467  -1.467
   35    H    ALA   5           H        ALA   5  -6.935   0.979   0.979
   36    HA   ALA   5           HA       ALA   5  -6.140  -0.971  -0.971
   37   1HB   ALA   5          3HB       ALA   5  -5.412   1.554   1.554
   38   2HB   ALA   5          2HB       ALA   5  -4.050   0.650   0.650
   39   3HB   ALA   5          1HB       ALA   5  -4.439   0.528   0.528
   40    H    LYS   6           H        LYS   6  -6.301  -3.027  -3.027
   41    HA   LYS   6           HA       LYS   6  -4.602  -3.543  -3.543
   42   1HB   LYS   6          2HB       LYS   6  -5.491  -5.829  -5.829
   43   2HB   LYS   6          1HB       LYS   6  -6.783  -4.638  -4.638
   44   1HG   LYS   6          2HG       LYS   6  -5.966  -4.828  -4.828
   45   2HG   LYS   6          1HG       LYS   6  -5.702  -6.475  -6.475
   46   1HD   LYS   6          2HD       LYS   6  -8.287  -5.024  -5.024
   47   2HD   LYS   6          1HD       LYS   6  -8.040  -5.913  -5.913
   48   1HE   LYS   6          2HE       LYS   6  -7.964  -7.980  -7.980
   49   2HE   LYS   6          1HE       LYS   6  -7.417  -7.275  -7.275
   50   1HZ   LYS   6          2HZ       LYS   6  -9.593  -6.098  -6.098
   51   2HZ   LYS   6          1HZ       LYS   6 -10.107  -7.029  -7.029
   52   3HZ   LYS   6          3HZ       LYS   6  -9.720  -7.787  -7.787
   53    H    ILE   7           H        ILE   7  -2.562  -4.380  -4.380
   54    HA   ILE   7           HA       ILE   7  -1.319  -5.003  -5.003
   55    HB   ILE   7           HB       ILE   7   0.648  -4.785  -4.785
   56   1HG1  ILE   7          2HG1      ILE   7  -1.228  -2.400  -2.400
   57   2HG1  ILE   7          1HG1      ILE   7  -0.997  -3.446  -3.446
   58   1HG2  ILE   7          1HG2      ILE   7   0.457  -4.172  -4.172
   59   2HG2  ILE   7          3HG2      ILE   7   0.221  -2.562  -2.562
   60   3HG2  ILE   7          2HG2      ILE   7   1.687  -3.473  -3.473
   61   1HD1  ILE   7          1HD1      ILE   7   1.590  -2.728  -2.728
   62   2HD1  ILE   7          3HD1      ILE   7   0.697  -1.257  -1.257
   63   3HD1  ILE   7          2HD1      ILE   7   0.601  -1.958  -1.958
   64    H    LYS   8           H        LYS   8  -0.407  -5.945  -5.945
   65    HA   LYS   8           HA       LYS   8  -0.077  -8.723  -8.723
   66   1HB   LYS   8          2HB       LYS   8   1.539  -7.422  -7.422
   67   2HB   LYS   8          1HB       LYS   8   0.308  -7.419  -7.419
   68   1HG   LYS   8          2HG       LYS   8   1.817  -9.270  -9.270
   69   2HG   LYS   8          1HG       LYS   8   0.270  -9.927  -9.927
   70   1HD   LYS   8          2HD       LYS   8   1.113 -10.644 -10.644
   71   2HD   LYS   8          1HD       LYS   8   2.274  -9.320  -9.320
   72   1HE   LYS   8          2HE       LYS   8   3.817 -10.397 -10.397
   73   2HE   LYS   8          1HE       LYS   8   2.583 -11.507 -11.507
   74   1HZ   LYS   8          2HZ       LYS   8   3.495 -11.400 -11.400
   75   2HZ   LYS   8          1HZ       LYS   8   3.988 -12.566 -12.566
   76   3HZ   LYS   8          3HZ       LYS   8   2.364 -12.489 -12.489
   77    H    GLY   9           H        GLY   9  -2.280  -6.715  -6.715
   78   1HA   GLY   9          2HA       GLY   9  -4.611  -7.965  -7.965
   79   2HA   GLY   9          1HA       GLY   9  -3.757  -9.065  -9.065
   80    H    ARG  10           H        ARG  10  -3.665  -5.498  -5.498
   81    HA   ARG  10           HA       ARG  10  -4.905  -5.258  -5.258
   82   1HB   ARG  10          2HB       ARG  10  -2.248  -5.599  -5.599
   83   2HB   ARG  10          1HB       ARG  10  -2.297  -3.860  -3.860
   84   1HG   ARG  10          2HG       ARG  10  -2.869  -3.370  -3.370
   85   2HG   ARG  10          1HG       ARG  10  -4.040  -4.690  -4.690
   86   1HD   ARG  10          2HD       ARG  10  -1.899  -6.223  -6.223
   87   2HD   ARG  10          1HD       ARG  10  -1.094  -4.731  -4.731
   88    HE   ARG  10           HE       ARG  10  -3.060  -6.235  -6.235
   89   1HH1  ARG  10          1HH2      ARG  10  -1.748  -3.053  -3.053
   90   2HH1  ARG  10          2HH2      ARG  10  -2.233  -2.442  -2.442
   91   1HH2  ARG  10          1HH1      ARG  10  -3.669  -5.401  -5.401
   92   2HH2  ARG  10          2HH1      ARG  10  -3.308  -3.754  -3.754
   93    H    THR  11           H        THR  11  -6.585  -3.992  -3.992
   94    HA   THR  11           HA       THR  11  -6.034  -1.714  -1.714
   95    HB   THR  11           HB       THR  11  -8.264  -2.773  -2.773
   96    HG1  THR  11          1HG       THR  11  -9.432  -0.855  -0.855
   97   1HG2  THR  11          1HG2      THR  11  -7.668  -2.817  -2.817
   98   2HG2  THR  11          3HG2      THR  11  -8.813  -1.480  -1.480
   99   3HG2  THR  11          2HG2      THR  11  -9.280  -3.077  -3.077
  100    H    PHE  12           H        PHE  12  -5.583   0.465   0.465
  101    HA   PHE  12           HA       PHE  12  -4.698   0.768   0.768
  102   1HB   PHE  12          2HB       PHE  12  -3.931   2.278   2.278
  103   2HB   PHE  12          1HB       PHE  12  -3.115   2.357   2.357
  104    HD1  PHE  12          2HD       PHE  12  -1.803   0.439   0.439
  105    HD2  PHE  12          1HD       PHE  12  -3.714   0.311   0.311
  106    HE1  PHE  12          2HE       PHE  12  -0.435  -1.508  -1.508
  107    HE2  PHE  12          1HE       PHE  12  -2.320  -1.641  -1.641
  108   1HZ   PHE  12           HZ       PHE  12  -0.681  -2.559  -2.559
  109    H    ARG  13           H        ARG  13  -4.736   3.177   3.177
  110    HA   ARG  13           HA       ARG  13  -7.498   4.184   4.184
  111   1HB   ARG  13          2HB       ARG  13  -5.723   3.963   3.963
  112   2HB   ARG  13          1HB       ARG  13  -5.426   5.632   5.632
  113   1HG   ARG  13          2HG       ARG  13  -7.815   6.143   6.143
  114   2HG   ARG  13          1HG       ARG  13  -8.152   4.467   4.467
  115   1HD   ARG  13          2HD       ARG  13  -6.746   4.690   4.690
  116   2HD   ARG  13          1HD       ARG  13  -6.390   6.373   6.373
  117    HE   ARG  13           HE       ARG  13  -9.252   5.803   5.803
  118   1HH1  ARG  13          1HH2      ARG  13  -6.482   6.717   6.717
  119   2HH1  ARG  13          2HH2      ARG  13  -7.453   7.474   7.474
  120   1HH2  ARG  13          1HH1      ARG  13 -10.467   6.792   6.792
  121   2HH2  ARG  13          2HH1      ARG  13  -9.684   7.517   7.517
  122    H    ASN  14           H        ASN  14  -4.211   5.038   5.038
  123    HA   ASN  14           HA       ASN  14  -5.250   7.099   7.099
  124   1HB   ASN  14          2HB       ASN  14  -3.613   8.748   8.748
  125   2HB   ASN  14          1HB       ASN  14  -4.823   8.277   8.277
  126   1HD2  ASN  14          2HD2      ASN  14  -2.421   7.027   7.027
  127   2HD2  ASN  14          1HD2      ASN  14  -4.018   7.540   7.540
  128    H    GLU  15           H        GLU  15  -3.280   7.940   7.940
  129    HA   GLU  15           HA       GLU  15  -1.980   5.737   5.737
  130   1HB   GLU  15          2HB       GLU  15  -2.492   8.031   8.031
  131   2HB   GLU  15          1HB       GLU  15  -1.134   8.642   8.642
  132   1HG   GLU  15          2HG       GLU  15   0.350   6.995   6.995
  133   2HG   GLU  15          1HG       GLU  15  -1.016   6.549   6.549
  134    H    LYS  16           H        LYS  16  -0.825   8.042   8.042
  135    HA   LYS  16           HA       LYS  16   1.894   7.478   7.478
  136   1HB   LYS  16          2HB       LYS  16   0.202   8.972   8.972
  137   2HB   LYS  16          1HB       LYS  16   0.356   7.642   7.642
  138   1HG   LYS  16          2HG       LYS  16   2.510   8.164   8.164
  139   2HG   LYS  16          1HG       LYS  16   2.912   8.579   8.579
  140   1HD   LYS  16          2HD       LYS  16   2.143  10.773  10.773
  141   2HD   LYS  16          1HD       LYS  16   1.089  10.375  10.375
  142   1HE   LYS  16          2HE       LYS  16   2.854  10.384  10.384
  143   2HE   LYS  16          1HE       LYS  16   4.076  10.083  10.083
  144   1HZ   LYS  16          2HZ       LYS  16   2.396  12.528  12.528
  145   2HZ   LYS  16          1HZ       LYS  16   3.938  12.447  12.447
  146   3HZ   LYS  16          3HZ       LYS  16   3.765  12.240  12.240
  147    H    GLU  17           H        GLU  17  -0.710   5.610   5.610
  148    HA   GLU  17           HA       GLU  17   1.103   3.656   3.656
  149   1HB   GLU  17          2HB       GLU  17  -1.811   4.114   4.114
  150   2HB   GLU  17          1HB       GLU  17  -1.342   2.418   2.418
  151   1HG   GLU  17          2HG       GLU  17  -0.107   4.332   4.332
  152   2HG   GLU  17          1HG       GLU  17  -1.806   3.926   3.926
  153    H    LEU  18           H        LEU  18  -1.059   3.623   3.623
  154    HA   LEU  18           HA       LEU  18  -0.346   1.070   1.070
  155   1HB   LEU  18          2HB       LEU  18  -2.208   2.418   2.418
  156   2HB   LEU  18          1HB       LEU  18  -1.103   3.693   3.693
  157    HG   LEU  18           HG       LEU  18  -0.066   2.144   2.144
  158   1HD1  LEU  18          1HD1      LEU  18  -0.580   0.051   0.051
  159   2HD1  LEU  18          3HD1      LEU  18  -2.267   0.218   0.218
  160   3HD1  LEU  18          2HD1      LEU  18  -1.020  -0.055  -0.055
  161   1HD2  LEU  18          1HD2      LEU  18  -3.069   2.495   2.495
  162   2HD2  LEU  18          3HD2      LEU  18  -1.836   3.498   3.498
  163   3HD2  LEU  18          2HD2      LEU  18  -2.139   1.865   1.865
  164    H    ARG  19           H        ARG  19   1.365   4.120   4.120
  165    HA   ARG  19           HA       ARG  19   3.433   3.260   3.260
  166   1HB   ARG  19          2HB       ARG  19   2.470   5.600   5.600
  167   2HB   ARG  19          1HB       ARG  19   3.268   5.712   5.712
  168   1HG   ARG  19          2HG       ARG  19   5.391   4.943   4.943
  169   2HG   ARG  19          1HG       ARG  19   4.482   5.590   5.590
  170   1HD   ARG  19          2HD       ARG  19   4.170   7.723   7.723
  171   2HD   ARG  19          1HD       ARG  19   5.382   7.064   7.064
  172    HE   ARG  19           HE       ARG  19   6.202   6.948   6.948
  173   1HH1  ARG  19          1HH2      ARG  19   6.146   8.896   8.896
  174   2HH1  ARG  19          2HH2      ARG  19   7.509   9.839   9.839
  175   1HH2  ARG  19          1HH1      ARG  19   7.959   8.191   8.191
  176   2HH2  ARG  19          2HH1      ARG  19   8.526   9.447   9.447
  177    H    ASP  20           H        ASP  20   2.870   3.537   3.537
  178    HA   ASP  20           HA       ASP  20   5.691   3.067   3.067
  179   1HB   ASP  20          2HB       ASP  20   3.906   4.421   4.421
  180   2HB   ASP  20          1HB       ASP  20   3.232   2.865   2.865
  181    H    PHE  21           H        PHE  21   2.894   1.140   1.140
  182    HA   PHE  21           HA       PHE  21   3.680  -1.263  -1.263
  183   1HB   PHE  21          2HB       PHE  21   1.355  -0.700  -0.700
  184   2HB   PHE  21          1HB       PHE  21   1.838  -0.792  -0.792
  185    HD1  PHE  21          2HD       PHE  21   2.489  -2.927  -2.927
  186    HD2  PHE  21          1HD       PHE  21   1.100  -2.698  -2.698
  187    HE1  PHE  21          2HE       PHE  21   2.177  -5.384  -5.384
  188    HE2  PHE  21          1HE       PHE  21   0.803  -5.151  -5.151
  189   1HZ   PHE  21           HZ       PHE  21   1.335  -6.502  -6.502
  190    H    ILE  22           H        ILE  22   4.079   0.045   0.045
  191    HA   ILE  22           HA       ILE  22   5.270  -2.277  -2.277
  192    HB   ILE  22           HB       ILE  22   4.447   0.268   0.268
  193   1HG1  ILE  22          2HG1      ILE  22   5.326  -0.609  -0.609
  194   2HG1  ILE  22          1HG1      ILE  22   5.717  -2.063  -2.063
  195   1HG2  ILE  22          3HG2      ILE  22   6.876   0.993   0.993
  196   2HG2  ILE  22          2HG2      ILE  22   7.302   0.036   0.036
  197   3HG2  ILE  22          1HG2      ILE  22   6.206   1.408   1.408
  198   1HD1  ILE  22          2HD1      ILE  22   3.292  -1.898  -1.898
  199   2HD1  ILE  22          1HD1      ILE  22   3.018  -0.802  -0.802
  200   3HD1  ILE  22          3HD1      ILE  22   3.520  -2.465  -2.465
  201    H    GLU  23           H        GLU  23   6.567   0.415   0.415
  202    HA   GLU  23           HA       GLU  23   9.352  -0.049  -0.049
  203   1HB   GLU  23          2HB       GLU  23   8.174   1.902   1.902
  204   2HB   GLU  23          1HB       GLU  23   7.900   0.858   0.858
  205   1HG   GLU  23          2HG       GLU  23  10.445   0.443   0.443
  206   2HG   GLU  23          1HG       GLU  23  10.530   1.841   1.841
  207    H    LYS  24           H        LYS  24   6.978  -1.427  -1.427
  208    HA   LYS  24           HA       LYS  24   8.999  -3.292  -3.292
  209   1HB   LYS  24          2HB       LYS  24   7.453  -2.028  -2.028
  210   2HB   LYS  24          1HB       LYS  24   6.074  -2.745  -2.745
  211   1HG   LYS  24          2HG       LYS  24   6.507  -4.890  -4.890
  212   2HG   LYS  24          1HG       LYS  24   8.179  -4.494  -4.494
  213   1HD   LYS  24          2HD       LYS  24   5.908  -3.027  -3.027
  214   2HD   LYS  24          1HD       LYS  24   6.442  -4.594  -4.594
  215   1HE   LYS  24          2HE       LYS  24   8.844  -3.279  -3.279
  216   2HE   LYS  24          1HE       LYS  24   7.767  -1.970  -1.970
  217   1HZ   LYS  24          3HZ       LYS  24   6.964  -3.418  -3.418
  218   2HZ   LYS  24          2HZ       LYS  24   8.067  -4.621  -4.621
  219   3HZ   LYS  24          1HZ       LYS  24   8.631  -3.138  -3.138
  220    H    PHE  25           H        PHE  25   7.343  -3.306  -3.306
  221    HA   PHE  25           HA       PHE  25   6.125  -6.004  -6.004
  222   1HB   PHE  25          2HB       PHE  25   4.951  -4.171  -4.171
  223   2HB   PHE  25          1HB       PHE  25   6.356  -3.812  -3.812
  224    HD1  PHE  25          2HD       PHE  25   5.050  -7.227  -7.227
  225    HD2  PHE  25          1HD       PHE  25   5.418  -4.034  -4.034
  226    HE1  PHE  25          2HE       PHE  25   4.200  -8.730  -8.730
  227    HE2  PHE  25          1HE       PHE  25   4.567  -5.537  -5.537
  228   1HZ   PHE  25           HZ       PHE  25   3.960  -7.884  -7.884
  229    H    LYS  26           H        LYS  26   9.219  -4.902  -4.902
  230    HA   LYS  26           HA       LYS  26  11.184  -5.818  -5.818
  231   1HB   LYS  26          2HB       LYS  26   9.386  -8.222  -8.222
  232   2HB   LYS  26          1HB       LYS  26  11.143  -8.231  -8.231
  233   1HG   LYS  26          2HG       LYS  26  10.152  -6.988  -6.988
  234   2HG   LYS  26          1HG       LYS  26   9.272  -8.496  -8.496
  235   1HD   LYS  26          2HD       LYS  26  11.159  -9.212  -9.212
  236   2HD   LYS  26          1HD       LYS  26  11.637  -9.506  -9.506
  237   1HE   LYS  26          2HE       LYS  26  12.283  -6.772  -6.772
  238   2HE   LYS  26          1HE       LYS  26  13.021  -7.922  -7.922
  239   1HZ   LYS  26          2HZ       LYS  26  13.112  -8.171  -8.171
  240   2HZ   LYS  26          1HZ       LYS  26  14.384  -7.568  -7.568
  241   3HZ   LYS  26          3HZ       LYS  26  13.888  -9.182  -9.182
  242    H    GLY  27           H        GLY  27   9.272  -4.315  -4.315
  243   1HA   GLY  27          2HA       GLY  27  10.121  -5.276  -5.276
  244   2HA   GLY  27          1HA       GLY  27   8.450  -4.779  -4.779
  245    H    ARG  28           H        ARG  28   8.845  -2.577  -2.577
  246    HA   ARG  28           HA       ARG  28   9.246  -0.266  -0.266
  247   1HB   ARG  28          2HB       ARG  28  11.576  -1.419  -1.419
  248   2HB   ARG  28          1HB       ARG  28  11.745  -0.987  -0.987
  249   1HG   ARG  28          2HG       ARG  28  11.862   1.268   1.268
  250   2HG   ARG  28          1HG       ARG  28  10.823   1.154   1.154
  251   1HD   ARG  28          2HD       ARG  28  12.585   0.503   0.503
  252   2HD   ARG  28          1HD       ARG  28  13.556  -0.118  -0.118
  253    HE   ARG  28           HE       ARG  28  13.021   2.727   2.727
  254   1HH1  ARG  28          1HH2      ARG  28  15.099   0.370   0.370
  255   2HH1  ARG  28          2HH2      ARG  28  16.404   1.489   1.489
  256   1HH2  ARG  28          1HH1      ARG  28  14.733   4.139   4.139
  257   2HH2  ARG  28          2HH1      ARG  28  16.202   3.602   3.602

  Start of MODEL    8
    1   1H    GLN   1          2HT       GLN   1 -13.718   1.533   1.533
    2   2H    GLN   1          1HT       GLN   1 -12.815   0.588   0.588
    3   3H    GLN   1          3HT       GLN   1 -14.478   0.312   0.312
    4    HA   GLN   1           HA       GLN   1 -15.024   2.394   2.394
    5   1HB   GLN   1          2HB       GLN   1 -14.094   0.191   0.191
    6   2HB   GLN   1          1HB       GLN   1 -12.834   1.309   1.309
    7   1HG   GLN   1          2HG       GLN   1 -14.852   2.869   2.869
    8   2HG   GLN   1          1HG       GLN   1 -15.780   1.369   1.369
    9   1HE2  GLN   1          2HE2      GLN   1 -13.858  -0.044  -0.044
   10   2HE2  GLN   1          1HE2      GLN   1 -14.486  -0.514  -0.514
   11    H    GLN   2           H        GLN   2 -11.468   1.928   1.928
   12    HA   GLN   2           HA       GLN   2 -11.161   4.909   4.909
   13   1HB   GLN   2          2HB       GLN   2  -9.563   2.608   2.608
   14   2HB   GLN   2          1HB       GLN   2  -8.871   4.223   4.223
   15   1HG   GLN   2          2HG       GLN   2 -10.778   5.133   5.133
   16   2HG   GLN   2          1HG       GLN   2 -11.378   3.488   3.488
   17   1HE2  GLN   2          2HE2      GLN   2  -8.450   2.590   2.590
   18   2HE2  GLN   2          1HE2      GLN   2  -9.289   1.966   1.966
   19    H    TYR   3           H        TYR   3  -8.780   2.365   2.365
   20    HA   TYR   3           HA       TYR   3  -8.480   3.597   3.597
   21   1HB   TYR   3          2HB       TYR   3  -6.542   2.522   2.522
   22   2HB   TYR   3          1HB       TYR   3  -6.095   2.599   2.599
   23    HD1  TYR   3          2HD       TYR   3  -7.762   4.738   4.738
   24    HD2  TYR   3          1HD       TYR   3  -5.064   4.544   4.544
   25    HE1  TYR   3          2HE       TYR   3  -7.320   7.170   7.170
   26    HE2  TYR   3          1HE       TYR   3  -4.618   6.963   6.963
   27    HH   TYR   3           HH       TYR   3  -6.492   9.050   9.050
   28    H    THR   4           H        THR   4  -9.182   2.246   2.246
   29    HA   THR   4           HA       THR   4  -9.691  -0.572  -0.572
   30    HB   THR   4           HB       THR   4  -9.474   0.894   0.894
   31    HG1  THR   4          1HG       THR   4 -11.582   1.580   1.580
   32   1HG2  THR   4          2HG2      THR   4 -10.018  -1.701  -1.701
   33   2HG2  THR   4          1HG2      THR   4 -11.637  -1.037  -1.037
   34   3HG2  THR   4          3HG2      THR   4 -10.780  -0.790  -0.790
   35    H    ALA   5           H        ALA   5  -6.814   1.100   1.100
   36    HA   ALA   5           HA       ALA   5  -5.465  -0.571  -0.571
   37   1HB   ALA   5          3HB       ALA   5  -4.880   1.509   1.509
   38   2HB   ALA   5          2HB       ALA   5  -3.576   0.327   0.327
   39   3HB   ALA   5          1HB       ALA   5  -4.097   1.188   1.188
   40    H    LYS   6           H        LYS   6  -6.086  -2.779  -2.779
   41    HA   LYS   6           HA       LYS   6  -5.233  -3.830  -3.830
   42   1HB   LYS   6          2HB       LYS   6  -6.689  -4.842  -4.842
   43   2HB   LYS   6          1HB       LYS   6  -6.146  -5.968  -5.968
   44   1HG   LYS   6          2HG       LYS   6  -7.312  -4.375  -4.375
   45   2HG   LYS   6          1HG       LYS   6  -8.122  -3.703  -3.703
   46   1HD   LYS   6          2HD       LYS   6  -8.857  -6.034  -6.034
   47   2HD   LYS   6          1HD       LYS   6  -8.195  -6.582  -6.582
   48   1HE   LYS   6          2HE       LYS   6  -9.682  -4.836  -4.836
   49   2HE   LYS   6          1HE       LYS   6 -10.489  -4.652  -4.652
   50   1HZ   LYS   6          2HZ       LYS   6 -10.073  -7.243  -7.243
   51   2HZ   LYS   6          1HZ       LYS   6 -11.534  -6.375  -6.375
   52   3HZ   LYS   6          3HZ       LYS   6 -10.923  -7.002  -7.002
   53    H    ILE   7           H        ILE   7  -2.890  -3.320  -3.320
   54    HA   ILE   7           HA       ILE   7  -1.350  -4.409  -4.409
   55    HB   ILE   7           HB       ILE   7  -0.740  -3.889  -3.889
   56   1HG1  ILE   7          2HG1      ILE   7  -0.187  -2.239  -2.239
   57   2HG1  ILE   7          1HG1      ILE   7  -1.545  -1.969  -1.969
   58   1HG2  ILE   7          1HG2      ILE   7   0.987  -4.798  -4.798
   59   2HG2  ILE   7          3HG2      ILE   7   1.639  -3.553  -3.553
   60   3HG2  ILE   7          2HG2      ILE   7   1.139  -5.105  -5.105
   61   1HD1  ILE   7          3HD1      ILE   7   1.125  -2.149  -2.149
   62   2HD1  ILE   7          2HD1      ILE   7   0.848  -0.725  -0.725
   63   3HD1  ILE   7          1HD1      ILE   7  -0.223  -1.070  -1.070
   64    H    LYS   8           H        LYS   8  -0.691  -5.863  -5.863
   65    HA   LYS   8           HA       LYS   8  -0.411  -8.490  -8.490
   66   1HB   LYS   8          2HB       LYS   8  -0.049  -7.103  -7.103
   67   2HB   LYS   8          1HB       LYS   8  -0.599  -8.763  -8.763
   68   1HG   LYS   8          2HG       LYS   8   1.698  -8.058  -8.058
   69   2HG   LYS   8          1HG       LYS   8   1.942  -8.402  -8.402
   70   1HD   LYS   8          2HD       LYS   8   0.273 -10.474 -10.474
   71   2HD   LYS   8          1HD       LYS   8   1.500 -10.255 -10.255
   72   1HE   LYS   8          2HE       LYS   8   2.436 -11.831 -11.831
   73   2HE   LYS   8          1HE       LYS   8   3.217 -10.285 -10.285
   74   1HZ   LYS   8          2HZ       LYS   8   0.733 -11.294 -11.294
   75   2HZ   LYS   8          1HZ       LYS   8   2.281 -11.402 -11.402
   76   3HZ   LYS   8          3HZ       LYS   8   1.584  -9.883  -9.883
   77    H    GLY   9           H        GLY   9  -3.027  -6.703  -6.703
   78   1HA   GLY   9          2HA       GLY   9  -5.271  -7.805  -7.805
   79   2HA   GLY   9          1HA       GLY   9  -4.697  -9.154  -9.154
   80    H    ARG  10           H        ARG  10  -4.557  -5.619  -5.619
   81    HA   ARG  10           HA       ARG  10  -6.264  -5.932  -5.932
   82   1HB   ARG  10          2HB       ARG  10  -4.364  -4.281  -4.281
   83   2HB   ARG  10          1HB       ARG  10  -4.303  -6.028  -6.028
   84   1HG   ARG  10          2HG       ARG  10  -2.852  -6.122  -6.122
   85   2HG   ARG  10          1HG       ARG  10  -2.807  -4.358  -4.358
   86   1HD   ARG  10          2HD       ARG  10  -2.048  -5.956  -5.956
   87   2HD   ARG  10          1HD       ARG  10  -0.863  -5.602  -5.602
   88    HE   ARG  10           HE       ARG  10  -2.227  -3.181  -3.181
   89   1HH1  ARG  10          1HH2      ARG  10  -0.041  -5.424  -5.424
   90   2HH1  ARG  10          2HH2      ARG  10   0.652  -4.201  -4.201
   91   1HH2  ARG  10          1HH1      ARG  10  -1.302  -1.635  -1.635
   92   2HH2  ARG  10          2HH1      ARG  10  -0.052  -2.078  -2.078
   93    H    THR  11           H        THR  11  -7.260  -3.999  -3.999
   94    HA   THR  11           HA       THR  11  -7.524  -1.888  -1.888
   95    HB   THR  11           HB       THR  11  -8.962  -1.099  -1.099
   96    HG1  THR  11          1HG       THR  11  -9.827  -2.984  -2.984
   97   1HG2  THR  11          3HG2      THR  11  -9.532  -2.767  -2.767
   98   2HG2  THR  11          2HG2      THR  11 -10.779  -2.700  -2.700
   99   3HG2  THR  11          1HG2      THR  11 -10.216  -1.214  -1.214
  100    H    PHE  12           H        PHE  12  -6.461   0.108   0.108
  101    HA   PHE  12           HA       PHE  12  -4.588   0.377   0.377
  102   1HB   PHE  12          2HB       PHE  12  -4.790   1.528   1.528
  103   2HB   PHE  12          1HB       PHE  12  -3.612   2.117   2.117
  104    HD1  PHE  12          1HD       PHE  12  -4.890  -1.144  -1.144
  105    HD2  PHE  12          2HD       PHE  12  -1.534   1.081   1.081
  106    HE1  PHE  12          1HE       PHE  12  -3.404  -3.036  -3.036
  107    HE2  PHE  12          2HE       PHE  12  -0.043  -0.835  -0.835
  108   1HZ   PHE  12           HZ       PHE  12  -0.987  -2.893  -2.893
  109    H    ARG  13           H        ARG  13  -4.335   2.529   2.529
  110    HA   ARG  13           HA       ARG  13  -6.938   3.866   3.866
  111   1HB   ARG  13          2HB       ARG  13  -5.210   3.126   3.126
  112   2HB   ARG  13          1HB       ARG  13  -4.264   4.523   4.523
  113   1HG   ARG  13          2HG       ARG  13  -6.329   5.939   5.939
  114   2HG   ARG  13          1HG       ARG  13  -7.056   4.525   4.525
  115   1HD   ARG  13          2HD       ARG  13  -4.337   5.112   5.112
  116   2HD   ARG  13          1HD       ARG  13  -5.525   6.381   6.381
  117    HE   ARG  13           HE       ARG  13  -6.529   3.675   3.675
  118   1HH1  ARG  13          1HH2      ARG  13  -4.820   6.407   6.407
  119   2HH1  ARG  13          2HH2      ARG  13  -5.205   5.960   5.960
  120   1HH2  ARG  13          1HH1      ARG  13  -7.000   3.136   3.136
  121   2HH2  ARG  13          2HH1      ARG  13  -6.426   4.130   4.130
  122    H    ASN  14           H        ASN  14  -3.637   4.742   4.742
  123    HA   ASN  14           HA       ASN  14  -4.824   7.109   7.109
  124   1HB   ASN  14          2HB       ASN  14  -2.917   8.442   8.442
  125   2HB   ASN  14          1HB       ASN  14  -3.827   7.762   7.762
  126   1HD2  ASN  14          2HD2      ASN  14  -1.179   5.620   5.620
  127   2HD2  ASN  14          1HD2      ASN  14  -2.841   5.934   5.934
  128    H    GLU  15           H        GLU  15  -3.298   7.969   7.969
  129    HA   GLU  15           HA       GLU  15  -2.388   5.903   5.903
  130   1HB   GLU  15          2HB       GLU  15  -3.142   8.272   8.272
  131   2HB   GLU  15          1HB       GLU  15  -1.557   8.810   8.810
  132   1HG   GLU  15          2HG       GLU  15  -0.436   7.554   7.554
  133   2HG   GLU  15          1HG       GLU  15  -1.935   6.745   6.745
  134    H    LYS  16           H        LYS  16  -0.649   8.032   8.032
  135    HA   LYS  16           HA       LYS  16   2.016   7.403   7.403
  136   1HB   LYS  16          2HB       LYS  16   0.819   8.976   8.976
  137   2HB   LYS  16          1HB       LYS  16   1.243   7.641   7.641
  138   1HG   LYS  16          2HG       LYS  16   3.516   7.972   7.972
  139   2HG   LYS  16          1HG       LYS  16   3.338   8.654   8.654
  140   1HD   LYS  16          2HD       LYS  16   2.303  10.690  10.690
  141   2HD   LYS  16          1HD       LYS  16   2.645  10.017  10.017
  142   1HE   LYS  16          2HE       LYS  16   5.090   9.871   9.871
  143   2HE   LYS  16          1HE       LYS  16   4.648  10.845  10.845
  144   1HZ   LYS  16          3HZ       LYS  16   3.623  12.460  12.460
  145   2HZ   LYS  16          2HZ       LYS  16   4.197  11.562  11.562
  146   3HZ   LYS  16          1HZ       LYS  16   5.292  12.306  12.306
  147    H    GLU  17           H        GLU  17  -0.189   5.699   5.699
  148    HA   GLU  17           HA       GLU  17   1.648   3.653   3.653
  149   1HB   GLU  17          2HB       GLU  17  -1.153   4.323   4.323
  150   2HB   GLU  17          1HB       GLU  17  -1.020   2.615   2.615
  151   1HG   GLU  17          2HG       GLU  17   0.630   2.339   2.339
  152   2HG   GLU  17          1HG       GLU  17   0.327   4.013   4.013
  153    H    LEU  18           H        LEU  18  -0.484   4.002   4.002
  154    HA   LEU  18           HA       LEU  18  -0.230   1.402   1.402
  155   1HB   LEU  18          2HB       LEU  18  -1.268   3.976   3.976
  156   2HB   LEU  18          1HB       LEU  18  -0.165   3.580   3.580
  157    HG   LEU  18           HG       LEU  18  -2.302   2.762   2.762
  158   1HD1  LEU  18          2HD1      LEU  18  -0.132   1.008   1.008
  159   2HD1  LEU  18          1HD1      LEU  18  -1.554   0.110   0.110
  160   3HD1  LEU  18          3HD1      LEU  18  -1.496   0.791   0.791
  161   1HD2  LEU  18          3HD2      LEU  18  -2.461   2.029   2.029
  162   2HD2  LEU  18          2HD2      LEU  18  -3.715   2.640   2.640
  163   3HD2  LEU  18          1HD2      LEU  18  -3.265   0.933   0.933
  164    H    ARG  19           H        ARG  19   1.808   4.254   4.254
  165    HA   ARG  19           HA       ARG  19   3.842   3.074   3.074
  166   1HB   ARG  19          2HB       ARG  19   3.094   5.414   5.414
  167   2HB   ARG  19          1HB       ARG  19   3.570   5.722   5.722
  168   1HG   ARG  19          2HG       ARG  19   5.860   5.581   5.581
  169   2HG   ARG  19          1HG       ARG  19   5.585   4.651   4.651
  170   1HD   ARG  19          2HD       ARG  19   4.266   7.261   7.261
  171   2HD   ARG  19          1HD       ARG  19   6.016   7.410   7.410
  172    HE   ARG  19           HE       ARG  19   5.586   5.388   5.388
  173   1HH1  ARG  19          1HH2      ARG  19   5.196   8.844   8.844
  174   2HH1  ARG  19          2HH2      ARG  19   5.419   9.154   9.154
  175   1HH2  ARG  19          1HH1      ARG  19   5.869   5.836   5.836
  176   2HH2  ARG  19          2HH1      ARG  19   5.795   7.472   7.472
  177    H    ASP  20           H        ASP  20   3.239   3.412   3.412
  178    HA   ASP  20           HA       ASP  20   6.122   3.006   3.006
  179   1HB   ASP  20          2HB       ASP  20   4.199   4.625   4.625
  180   2HB   ASP  20          1HB       ASP  20   4.073   3.245   3.245
  181    H    PHE  21           H        PHE  21   3.238   1.126   1.126
  182    HA   PHE  21           HA       PHE  21   3.959  -0.885  -0.885
  183   1HB   PHE  21          2HB       PHE  21   1.632  -0.639  -0.639
  184   2HB   PHE  21          1HB       PHE  21   1.926  -0.638  -0.638
  185    HD1  PHE  21          1HD       PHE  21   3.083  -2.911  -2.911
  186    HD2  PHE  21          2HD       PHE  21   0.939  -2.526  -2.526
  187    HE1  PHE  21          1HE       PHE  21   2.831  -5.367  -5.367
  188    HE2  PHE  21          2HE       PHE  21   0.689  -4.989  -4.989
  189   1HZ   PHE  21           HZ       PHE  21   1.627  -6.414  -6.414
  190    H    ILE  22           H        ILE  22   3.981  -0.657  -0.657
  191    HA   ILE  22           HA       ILE  22   5.230  -3.171  -3.171
  192    HB   ILE  22           HB       ILE  22   5.249  -0.607  -0.607
  193   1HG1  ILE  22          2HG1      ILE  22   3.497  -3.075  -3.075
  194   2HG1  ILE  22          1HG1      ILE  22   3.011  -1.527  -1.527
  195   1HG2  ILE  22          2HG2      ILE  22   6.011  -3.449  -3.449
  196   2HG2  ILE  22          1HG2      ILE  22   5.597  -2.246  -2.246
  197   3HG2  ILE  22          3HG2      ILE  22   6.995  -1.994  -1.994
  198   1HD1  ILE  22          1HD1      ILE  22   3.944  -1.869  -1.869
  199   2HD1  ILE  22          3HD1      ILE  22   2.249  -1.884  -1.884
  200   3HD1  ILE  22          2HD1      ILE  22   3.219  -0.430  -0.430
  201    H    GLU  23           H        GLU  23   6.510   0.003   0.003
  202    HA   GLU  23           HA       GLU  23   9.266  -0.393  -0.393
  203   1HB   GLU  23          2HB       GLU  23   8.064   1.734   1.734
  204   2HB   GLU  23          1HB       GLU  23   8.052   1.116   1.116
  205   1HG   GLU  23          2HG       GLU  23  10.600   0.841   0.841
  206   2HG   GLU  23          1HG       GLU  23  10.431   1.875   1.875
  207    H    LYS  24           H        LYS  24   7.559  -0.740  -0.740
  208    HA   LYS  24           HA       LYS  24   9.648  -2.125  -2.125
  209   1HB   LYS  24          2HB       LYS  24   7.736  -1.023  -1.023
  210   2HB   LYS  24          1HB       LYS  24   6.611  -2.117  -2.117
  211   1HG   LYS  24          2HG       LYS  24   7.221  -3.935  -3.935
  212   2HG   LYS  24          1HG       LYS  24   8.805  -3.256  -3.256
  213   1HD   LYS  24          2HD       LYS  24   7.339  -1.355  -1.355
  214   2HD   LYS  24          1HD       LYS  24   6.138  -2.645  -2.645
  215   1HE   LYS  24          2HE       LYS  24   8.365  -3.975  -3.975
  216   2HE   LYS  24          1HE       LYS  24   8.663  -2.345  -2.345
  217   1HZ   LYS  24          2HZ       LYS  24   6.397  -2.312  -2.312
  218   2HZ   LYS  24          1HZ       LYS  24   6.142  -3.892  -3.892
  219   3HZ   LYS  24          3HZ       LYS  24   7.274  -3.609  -3.609
  220    H    PHE  25           H        PHE  25   7.301  -3.132  -3.132
  221    HA   PHE  25           HA       PHE  25   7.774  -6.011  -6.011
  222   1HB   PHE  25          2HB       PHE  25   5.479  -5.414  -5.414
  223   2HB   PHE  25          1HB       PHE  25   5.779  -4.276  -4.276
  224    HD1  PHE  25          1HD       PHE  25   6.838  -7.815  -7.815
  225    HD2  PHE  25          2HD       PHE  25   4.596  -5.000  -5.000
  226    HE1  PHE  25          1HE       PHE  25   6.393  -9.582  -9.582
  227    HE2  PHE  25          2HE       PHE  25   4.122  -6.783  -6.783
  228   1HZ   PHE  25           HZ       PHE  25   5.020  -9.074  -9.074
  229    H    LYS  26           H        LYS  26   9.840  -4.146  -4.146
  230    HA   LYS  26           HA       LYS  26  10.207  -4.322  -4.322
  231   1HB   LYS  26          2HB       LYS  26  11.607  -3.077  -3.077
  232   2HB   LYS  26          1HB       LYS  26  12.315  -4.627  -4.627
  233   1HG   LYS  26          2HG       LYS  26  13.860  -4.160  -4.160
  234   2HG   LYS  26          1HG       LYS  26  12.608  -4.673  -4.673
  235   1HD   LYS  26          2HD       LYS  26  12.659  -1.829  -1.829
  236   2HD   LYS  26          1HD       LYS  26  13.751  -2.330  -2.330
  237   1HE   LYS  26          2HE       LYS  26  12.054  -2.136  -2.136
  238   2HE   LYS  26          1HE       LYS  26  11.149  -3.383  -3.383
  239   1HZ   LYS  26          2HZ       LYS  26  11.300  -0.541  -0.541
  240   2HZ   LYS  26          1HZ       LYS  26  10.024  -1.173  -1.173
  241   3HZ   LYS  26          3HZ       LYS  26  10.301  -1.754  -1.754
  242    H    GLY  27           H        GLY  27  10.550  -6.618  -6.618
  243   1HA   GLY  27          2HA       GLY  27  10.486  -8.867  -8.867
  244   2HA   GLY  27          1HA       GLY  27  11.985  -8.737  -8.737
  245    H    ARG  28           H        ARG  28   8.885  -7.618  -7.618
  246    HA   ARG  28           HA       ARG  28   7.674  -8.152  -8.152
  247   1HB   ARG  28          2HB       ARG  28   7.247 -10.021 -10.021
  248   2HB   ARG  28          1HB       ARG  28   8.440 -10.979 -10.979
  249   1HG   ARG  28          2HG       ARG  28   6.153  -9.684  -9.684
  250   2HG   ARG  28          1HG       ARG  28   5.923 -11.226 -11.226
  251   1HD   ARG  28          2HD       ARG  28   8.209 -11.803 -11.803
  252   2HD   ARG  28          1HD       ARG  28   7.526 -10.616 -10.616
  253    HE   ARG  28           HE       ARG  28   5.768 -12.126 -12.126
  254   1HH1  ARG  28          1HH2      ARG  28   7.449 -13.077 -13.077
  255   2HH1  ARG  28          2HH2      ARG  28   6.576 -14.562 -14.562
  256   1HH2  ARG  28          1HH1      ARG  28   4.662 -14.059 -14.059
  257   2HH2  ARG  28          2HH1      ARG  28   5.016 -15.114 -15.114

  Start of MODEL    9
    1   1H    GLN   1          2HT       GLN   1  -8.215   7.846   7.846
    2   2H    GLN   1          1HT       GLN   1  -7.960   8.281   8.281
    3   3H    GLN   1          3HT       GLN   1  -8.195   9.484   9.484
    4    HA   GLN   1           HA       GLN   1 -10.468   8.937   8.937
    5   1HB   GLN   1          2HB       GLN   1  -9.336   9.976   9.976
    6   2HB   GLN   1          1HB       GLN   1 -10.190   8.608   8.608
    7   1HG   GLN   1          2HG       GLN   1 -12.292   9.350   9.350
    8   2HG   GLN   1          1HG       GLN   1 -11.461  10.678  10.678
    9   1HE2  GLN   1          2HE2      GLN   1 -11.458  12.761  12.761
   10   2HE2  GLN   1          1HE2      GLN   1 -11.033  12.582  12.582
   11    H    GLN   2           H        GLN   2  -9.108   6.732   6.732
   12    HA   GLN   2           HA       GLN   2 -10.049   4.325   4.325
   13   1HB   GLN   2          2HB       GLN   2 -12.082   5.905   5.905
   14   2HB   GLN   2          1HB       GLN   2 -11.768   4.643   4.643
   15   1HG   GLN   2          2HG       GLN   2 -11.797   3.104   3.104
   16   2HG   GLN   2          1HG       GLN   2 -12.830   4.406   4.406
   17   1HE2  GLN   2          2HE2      GLN   2 -14.864   1.811   1.811
   18   2HE2  GLN   2          1HE2      GLN   2 -13.730   1.673   1.673
   19    H    TYR   3           H        TYR   3  -8.153   3.431   3.431
   20    HA   TYR   3           HA       TYR   3  -7.423   3.644   3.644
   21   1HB   TYR   3          2HB       TYR   3  -6.026   2.593   2.593
   22   2HB   TYR   3          1HB       TYR   3  -5.291   2.634   2.634
   23    HD1  TYR   3          1HD       TYR   3  -6.855   4.730   4.730
   24    HD2  TYR   3          2HD       TYR   3  -4.397   4.653   4.653
   25    HE1  TYR   3          1HE       TYR   3  -6.374   7.127   7.127
   26    HE2  TYR   3          2HE       TYR   3  -3.887   7.059   7.059
   27    HH   TYR   3           HH       TYR   3  -5.039   9.053   9.053
   28    H    THR   4           H        THR   4  -8.320   2.136   2.136
   29    HA   THR   4           HA       THR   4  -9.191  -0.478  -0.478
   30    HB   THR   4           HB       THR   4  -8.982   0.662   0.662
   31    HG1  THR   4          1HG       THR   4 -10.945   1.515   1.515
   32   1HG2  THR   4          2HG2      THR   4 -10.467  -1.673  -1.673
   33   2HG2  THR   4          1HG2      THR   4 -10.962  -0.942  -0.942
   34   3HG2  THR   4          3HG2      THR   4  -9.366  -1.675  -1.675
   35    H    ALA   5           H        ALA   5  -6.186   0.715   0.715
   36    HA   ALA   5           HA       ALA   5  -5.075  -1.282  -1.282
   37   1HB   ALA   5          1HB       ALA   5  -4.254   1.023   1.023
   38   2HB   ALA   5          3HB       ALA   5  -3.368  -0.179  -0.179
   39   3HB   ALA   5          2HB       ALA   5  -3.160  -0.098  -0.098
   40    H    LYS   6           H        LYS   6  -5.939  -3.340  -3.340
   41    HA   LYS   6           HA       LYS   6  -5.318  -4.263  -4.263
   42   1HB   LYS   6          2HB       LYS   6  -6.373  -6.349  -6.349
   43   2HB   LYS   6          1HB       LYS   6  -7.358  -4.931  -4.931
   44   1HG   LYS   6          2HG       LYS   6  -5.478  -5.351  -5.351
   45   2HG   LYS   6          1HG       LYS   6  -6.362  -6.844  -6.844
   46   1HD   LYS   6          2HD       LYS   6  -8.445  -5.202  -5.202
   47   2HD   LYS   6          1HD       LYS   6  -7.398  -4.179  -4.179
   48   1HE   LYS   6          2HE       LYS   6  -7.592  -7.059  -7.059
   49   2HE   LYS   6          1HE       LYS   6  -8.987  -6.019  -6.019
   50   1HZ   LYS   6          2HZ       LYS   6  -7.446  -4.394  -4.394
   51   2HZ   LYS   6          1HZ       LYS   6  -6.160  -5.479  -5.479
   52   3HZ   LYS   6          3HZ       LYS   6  -7.417  -5.875  -5.875
   53    H    ILE   7           H        ILE   7  -2.912  -3.729  -3.729
   54    HA   ILE   7           HA       ILE   7  -1.262  -5.151  -5.151
   55    HB   ILE   7           HB       ILE   7  -0.821  -4.144  -4.144
   56   1HG1  ILE   7          2HG1      ILE   7  -0.110  -2.938  -2.938
   57   2HG1  ILE   7          1HG1      ILE   7  -1.541  -2.501  -2.501
   58   1HG2  ILE   7          1HG2      ILE   7   0.918  -5.811  -5.811
   59   2HG2  ILE   7          3HG2      ILE   7   1.281  -4.781  -4.781
   60   3HG2  ILE   7          2HG2      ILE   7   1.557  -4.190  -4.190
   61   1HD1  ILE   7          2HD1      ILE   7   1.301  -2.283  -2.283
   62   2HD1  ILE   7          1HD1      ILE   7   0.381  -0.936  -0.936
   63   3HD1  ILE   7          3HD1      ILE   7  -0.161  -1.723  -1.723
   64    H    LYS   8           H        LYS   8  -0.849  -6.045  -6.045
   65    HA   LYS   8           HA       LYS   8  -0.497  -8.833  -8.833
   66   1HB   LYS   8          2HB       LYS   8  -0.270  -7.047  -7.047
   67   2HB   LYS   8          1HB       LYS   8  -0.583  -8.743  -8.743
   68   1HG   LYS   8          2HG       LYS   8   1.560  -7.991  -7.991
   69   2HG   LYS   8          1HG       LYS   8   1.895  -7.954  -7.954
   70   1HD   LYS   8          2HD       LYS   8   0.616 -10.371 -10.371
   71   2HD   LYS   8          1HD       LYS   8   2.367 -10.162 -10.162
   72   1HE   LYS   8          2HE       LYS   8   1.164  -9.669  -9.669
   73   2HE   LYS   8          1HE       LYS   8   1.000 -11.340 -11.340
   74   1HZ   LYS   8          2HZ       LYS   8   3.533  -9.796  -9.796
   75   2HZ   LYS   8          1HZ       LYS   8   3.154 -10.856 -10.856
   76   3HZ   LYS   8          3HZ       LYS   8   3.319 -11.453 -11.453
   77    H    GLY   9           H        GLY   9  -3.108  -6.831  -6.831
   78   1HA   GLY   9          2HA       GLY   9  -5.349  -8.072  -8.072
   79   2HA   GLY   9          1HA       GLY   9  -4.760  -9.205  -9.205
   80    H    ARG  10           H        ARG  10  -4.595  -5.640  -5.640
   81    HA   ARG  10           HA       ARG  10  -6.379  -5.473  -5.473
   82   1HB   ARG  10          2HB       ARG  10  -4.597  -3.901  -3.901
   83   2HB   ARG  10          1HB       ARG  10  -4.279  -5.633  -5.633
   84   1HG   ARG  10          2HG       ARG  10  -3.230  -4.582  -4.582
   85   2HG   ARG  10          1HG       ARG  10  -2.650  -3.599  -3.599
   86   1HD   ARG  10          2HD       ARG  10  -2.411  -6.625  -6.625
   87   2HD   ARG  10          1HD       ARG  10  -1.089  -5.453  -5.453
   88    HE   ARG  10           HE       ARG  10  -2.249  -4.785  -4.785
   89   1HH1  ARG  10          1HH2      ARG  10  -0.879  -7.702  -7.702
   90   2HH1  ARG  10          2HH2      ARG  10  -0.383  -8.307  -8.307
   91   1HH2  ARG  10          1HH1      ARG  10  -1.589  -5.605  -5.605
   92   2HH2  ARG  10          2HH1      ARG  10  -0.782  -7.134  -7.134
   93    H    THR  11           H        THR  11  -7.647  -3.677  -3.677
   94    HA   THR  11           HA       THR  11  -7.343  -1.734  -1.734
   95    HB   THR  11           HB       THR  11  -9.170  -1.541  -1.541
   96    HG1  THR  11          1HG       THR  11 -10.368  -3.139  -3.139
   97   1HG2  THR  11          1HG2      THR  11  -8.912   0.095   0.095
   98   2HG2  THR  11          3HG2      THR  11 -10.036  -1.071  -1.071
   99   3HG2  THR  11          2HG2      THR  11 -10.469  -0.200  -0.200
  100    H    PHE  12           H        PHE  12  -6.035   0.074   0.074
  101    HA   PHE  12           HA       PHE  12  -4.805   0.548   0.548
  102   1HB   PHE  12          2HB       PHE  12  -4.447   1.570   1.570
  103   2HB   PHE  12          1HB       PHE  12  -3.539   2.246   2.246
  104    HD1  PHE  12          1HD       PHE  12  -4.454  -1.063  -1.063
  105    HD2  PHE  12          2HD       PHE  12  -1.574   1.210   1.210
  106    HE1  PHE  12          1HE       PHE  12  -2.862  -2.955  -2.955
  107    HE2  PHE  12          2HE       PHE  12   0.002  -0.697  -0.697
  108   1HZ   PHE  12           HZ       PHE  12  -0.637  -2.776  -2.776
  109    H    ARG  13           H        ARG  13  -5.066   2.378   2.378
  110    HA   ARG  13           HA       ARG  13  -7.553   3.873   3.873
  111   1HB   ARG  13          2HB       ARG  13  -6.110   3.054   3.054
  112   2HB   ARG  13          1HB       ARG  13  -5.306   4.608   4.608
  113   1HG   ARG  13          2HG       ARG  13  -8.265   4.704   4.704
  114   2HG   ARG  13          1HG       ARG  13  -7.570   4.268   4.268
  115   1HD   ARG  13          2HD       ARG  13  -7.204   6.480   6.480
  116   2HD   ARG  13          1HD       ARG  13  -5.989   6.417   6.417
  117    HE   ARG  13           HE       ARG  13  -8.512   6.559   6.559
  118   1HH1  ARG  13          1HH2      ARG  13  -6.540   8.534   8.534
  119   2HH1  ARG  13          2HH2      ARG  13  -7.198  10.014  10.014
  120   1HH2  ARG  13          1HH1      ARG  13  -9.335   8.497   8.497
  121   2HH2  ARG  13          2HH1      ARG  13  -8.762   9.995   9.995
  122    H    ASN  14           H        ASN  14  -4.088   4.814   4.814
  123    HA   ASN  14           HA       ASN  14  -4.914   7.258   7.258
  124   1HB   ASN  14          2HB       ASN  14  -3.068   8.398   8.398
  125   2HB   ASN  14          1HB       ASN  14  -4.155   7.671   7.671
  126   1HD2  ASN  14          2HD2      ASN  14  -1.725   5.398   5.398
  127   2HD2  ASN  14          1HD2      ASN  14  -3.361   5.846   5.846
  128    H    GLU  15           H        GLU  15  -3.080   8.114   8.114
  129    HA   GLU  15           HA       GLU  15  -2.075   6.032   6.032
  130   1HB   GLU  15          2HB       GLU  15  -2.779   8.325   8.325
  131   2HB   GLU  15          1HB       GLU  15  -1.407   8.979   8.979
  132   1HG   GLU  15          2HG       GLU  15  -0.020   7.295   7.295
  133   2HG   GLU  15          1HG       GLU  15  -1.420   7.409   7.409
  134    H    LYS  16           H        LYS  16  -0.634   8.108   8.108
  135    HA   LYS  16           HA       LYS  16   2.096   7.655   7.655
  136   1HB   LYS  16          2HB       LYS  16   0.773   9.084   9.084
  137   2HB   LYS  16          1HB       LYS  16   0.855   7.648   7.648
  138   1HG   LYS  16          2HG       LYS  16   3.261   7.656   7.656
  139   2HG   LYS  16          1HG       LYS  16   3.285   8.921   8.921
  140   1HD   LYS  16          2HD       LYS  16   2.610  10.580  10.580
  141   2HD   LYS  16          1HD       LYS  16   1.914   9.413   9.413
  142   1HE   LYS  16          2HE       LYS  16   4.279   8.553   8.553
  143   2HE   LYS  16          1HE       LYS  16   4.854   9.972   9.972
  144   1HZ   LYS  16          3HZ       LYS  16   3.421  11.338  11.338
  145   2HZ   LYS  16          2HZ       LYS  16   3.153   9.950   9.950
  146   3HZ   LYS  16          1HZ       LYS  16   4.720  10.587  10.587
  147    H    GLU  17           H        GLU  17  -0.198   5.621   5.621
  148    HA   GLU  17           HA       GLU  17   1.792   3.636   3.636
  149   1HB   GLU  17          2HB       GLU  17  -0.849   4.271   4.271
  150   2HB   GLU  17          1HB       GLU  17  -1.000   2.736   2.736
  151   1HG   GLU  17          2HG       GLU  17   0.445   1.624   1.624
  152   2HG   GLU  17          1HG       GLU  17   1.019   3.144   3.144
  153    H    LEU  18           H        LEU  18  -0.773   3.737   3.737
  154    HA   LEU  18           HA       LEU  18  -0.165   1.261   1.261
  155   1HB   LEU  18          2HB       LEU  18  -2.168   2.620   2.620
  156   2HB   LEU  18          1HB       LEU  18  -1.167   3.904   3.904
  157    HG   LEU  18           HG       LEU  18  -0.442   2.432   2.432
  158   1HD1  LEU  18          1HD1      LEU  18  -2.250   0.360   0.360
  159   2HD1  LEU  18          3HD1      LEU  18  -1.413   0.173   0.173
  160   3HD1  LEU  18          2HD1      LEU  18  -0.488   0.292   0.292
  161   1HD2  LEU  18          2HD2      LEU  18  -2.631   3.710   3.710
  162   2HD2  LEU  18          1HD2      LEU  18  -2.512   2.320   2.320
  163   3HD2  LEU  18          3HD2      LEU  18  -3.444   2.200   2.200
  164    H    ARG  19           H        ARG  19   1.473   4.351   4.351
  165    HA   ARG  19           HA       ARG  19   3.241   3.650   3.650
  166   1HB   ARG  19          2HB       ARG  19   2.392   5.953   5.953
  167   2HB   ARG  19          1HB       ARG  19   3.134   5.990   5.990
  168   1HG   ARG  19          2HG       ARG  19   5.276   5.274   5.274
  169   2HG   ARG  19          1HG       ARG  19   4.382   6.289   6.289
  170   1HD   ARG  19          2HD       ARG  19   4.210   7.825   7.825
  171   2HD   ARG  19          1HD       ARG  19   5.783   7.050   7.050
  172    HE   ARG  19           HE       ARG  19   5.424   7.999   7.999
  173   1HH1  ARG  19          1HH2      ARG  19   6.434   8.876   8.876
  174   2HH1  ARG  19          2HH2      ARG  19   7.438  10.169  10.169
  175   1HH2  ARG  19          1HH1      ARG  19   6.737   9.682   9.682
  176   2HH2  ARG  19          2HH1      ARG  19   7.608  10.623  10.623
  177    H    ASP  20           H        ASP  20   3.198   3.687   3.687
  178    HA   ASP  20           HA       ASP  20   6.099   3.025   3.025
  179   1HB   ASP  20          2HB       ASP  20   5.018   4.690   4.690
  180   2HB   ASP  20          1HB       ASP  20   4.011   3.392   3.392
  181    H    PHE  21           H        PHE  21   3.647   1.230   1.230
  182    HA   PHE  21           HA       PHE  21   3.893  -1.028  -1.028
  183   1HB   PHE  21          2HB       PHE  21   1.734  -0.282  -0.282
  184   2HB   PHE  21          1HB       PHE  21   2.402  -0.726  -0.726
  185    HD1  PHE  21          2HD       PHE  21   1.198  -2.016  -2.016
  186    HD2  PHE  21          1HD       PHE  21   2.759  -3.037  -3.037
  187    HE1  PHE  21          2HE       PHE  21   0.602  -4.382  -4.382
  188    HE2  PHE  21          1HE       PHE  21   2.157  -5.412  -5.412
  189   1HZ   PHE  21           HZ       PHE  21   1.078  -6.086  -6.086
  190    H    ILE  22           H        ILE  22   4.193  -0.559  -0.559
  191    HA   ILE  22           HA       ILE  22   5.689  -2.918  -2.918
  192    HB   ILE  22           HB       ILE  22   5.635  -0.255  -0.255
  193   1HG1  ILE  22          2HG1      ILE  22   4.067  -2.817  -2.817
  194   2HG1  ILE  22          1HG1      ILE  22   3.424  -1.343  -1.343
  195   1HG2  ILE  22          3HG2      ILE  22   7.453  -2.243  -2.243
  196   2HG2  ILE  22          2HG2      ILE  22   6.133  -2.754  -2.754
  197   3HG2  ILE  22          1HG2      ILE  22   6.854  -1.158  -1.158
  198   1HD1  ILE  22          1HD1      ILE  22   4.079  -0.145  -0.145
  199   2HD1  ILE  22          3HD1      ILE  22   4.393  -1.737  -1.737
  200   3HD1  ILE  22          2HD1      ILE  22   2.766  -1.312  -1.312
  201    H    GLU  23           H        GLU  23   6.637   0.302   0.302
  202    HA   GLU  23           HA       GLU  23   9.473   0.023   0.023
  203   1HB   GLU  23          2HB       GLU  23   8.228   2.152   2.152
  204   2HB   GLU  23          1HB       GLU  23   7.865   1.619   1.619
  205   1HG   GLU  23          2HG       GLU  23  10.017   1.956   1.956
  206   2HG   GLU  23          1HG       GLU  23  10.724   1.559   1.559
  207    H    LYS  24           H        LYS  24   7.233  -0.657  -0.657
  208    HA   LYS  24           HA       LYS  24   9.398  -1.913  -1.913
  209   1HB   LYS  24          2HB       LYS  24   7.692  -0.268  -0.268
  210   2HB   LYS  24          1HB       LYS  24   6.450  -1.481  -1.481
  211   1HG   LYS  24          2HG       LYS  24   6.895  -2.221  -2.221
  212   2HG   LYS  24          1HG       LYS  24   8.344  -2.934  -2.934
  213   1HD   LYS  24          2HD       LYS  24   9.731  -1.314  -1.314
  214   2HD   LYS  24          1HD       LYS  24   8.492  -0.061  -0.061
  215   1HE   LYS  24          2HE       LYS  24   7.561  -0.658  -0.658
  216   2HE   LYS  24          1HE       LYS  24   8.106  -2.342  -2.342
  217   1HZ   LYS  24          2HZ       LYS  24  10.393  -1.582  -1.582
  218   2HZ   LYS  24          1HZ       LYS  24   9.867   0.025   0.025
  219   3HZ   LYS  24          3HZ       LYS  24   9.484  -1.110  -1.110
  220    H    PHE  25           H        PHE  25   7.991  -3.013  -3.013
  221    HA   PHE  25           HA       PHE  25   6.816  -5.532  -5.532
  222   1HB   PHE  25          2HB       PHE  25   5.467  -4.295  -4.295
  223   2HB   PHE  25          1HB       PHE  25   6.844  -4.004  -4.004
  224    HD1  PHE  25          1HD       PHE  25   6.093  -7.307  -7.307
  225    HD2  PHE  25          2HD       PHE  25   5.858  -4.822  -4.822
  226    HE1  PHE  25          1HE       PHE  25   5.493  -9.286  -9.286
  227    HE2  PHE  25          2HE       PHE  25   5.257  -6.816  -6.816
  228   1HZ   PHE  25           HZ       PHE  25   5.076  -9.047  -9.047
  229    H    LYS  26           H        LYS  26   8.606  -4.899  -4.899
  230    HA   LYS  26           HA       LYS  26  11.053  -6.212  -6.212
  231   1HB   LYS  26          2HB       LYS  26   8.760  -7.937  -7.937
  232   2HB   LYS  26          1HB       LYS  26   9.881  -8.250  -8.250
  233   1HG   LYS  26          2HG       LYS  26  10.690  -8.164  -8.164
  234   2HG   LYS  26          1HG       LYS  26  10.326  -9.647  -9.647
  235   1HD   LYS  26          2HD       LYS  26  12.340  -7.710  -7.710
  236   2HD   LYS  26          1HD       LYS  26  12.814  -8.833  -8.833
  237   1HE   LYS  26          2HE       LYS  26  11.396 -10.440 -10.440
  238   2HE   LYS  26          1HE       LYS  26  12.357  -9.366  -9.366
  239   1HZ   LYS  26          2HZ       LYS  26  14.268  -9.835  -9.835
  240   2HZ   LYS  26          1HZ       LYS  26  13.328 -11.044 -11.044
  241   3HZ   LYS  26          3HZ       LYS  26  13.748 -11.179 -11.179
  242    H    GLY  27           H        GLY  27   8.561  -5.690  -5.690
  243   1HA   GLY  27          2HA       GLY  27  10.286  -5.818  -5.818
  244   2HA   GLY  27          1HA       GLY  27   8.672  -5.107  -5.107
  245    H    ARG  28           H        ARG  28   9.160  -3.177  -3.177
  246    HA   ARG  28           HA       ARG  28   9.864  -0.927  -0.927
  247   1HB   ARG  28          2HB       ARG  28  11.914  -2.278  -2.278
  248   2HB   ARG  28          1HB       ARG  28  12.397  -2.140  -2.140
  249   1HG   ARG  28          2HG       ARG  28  12.978   0.064   0.064
  250   2HG   ARG  28          1HG       ARG  28  11.688   0.404   0.404
  251   1HD   ARG  28          2HD       ARG  28  13.911   0.559   0.559
  252   2HD   ARG  28          1HD       ARG  28  12.980  -0.791  -0.791
  253    HE   ARG  28           HE       ARG  28  14.335  -1.919  -1.919
  254   1HH1  ARG  28          1HH2      ARG  28  15.285  -0.129  -0.129
  255   2HH1  ARG  28          2HH2      ARG  28  16.824  -0.911  -0.911
  256   1HH2  ARG  28          1HH1      ARG  28  16.334  -2.906  -2.906
  257   2HH2  ARG  28          2HH1      ARG  28  17.414  -2.466  -2.466

  Start of MODEL   10
    1   1H    GLN   1          1HT       GLN   1  -9.382   9.206   9.206
    2   2H    GLN   1          3HT       GLN   1  -8.354  10.256  10.256
    3   3H    GLN   1          2HT       GLN   1  -7.765   8.767   8.767
    4    HA   GLN   1           HA       GLN   1  -8.125   8.472   8.472
    5   1HB   GLN   1          2HB       GLN   1 -10.321   9.160   9.160
    6   2HB   GLN   1          1HB       GLN   1  -9.460  10.516  10.516
    7   1HG   GLN   1          2HG       GLN   1 -10.981  10.756  10.756
    8   2HG   GLN   1          1HG       GLN   1 -11.289   9.024   9.024
    9   1HE2  GLN   1          2HE2      GLN   1 -13.617  11.341  11.341
   10   2HE2  GLN   1          1HE2      GLN   1 -12.279  12.003  12.003
   11    H    GLN   2           H        GLN   2  -8.586   6.966   6.966
   12    HA   GLN   2           HA       GLN   2  -9.815   4.616   4.616
   13   1HB   GLN   2          2HB       GLN   2 -11.731   6.346   6.346
   14   2HB   GLN   2          1HB       GLN   2 -11.450   5.865   5.865
   15   1HG   GLN   2          2HG       GLN   2 -13.186   4.438   4.438
   16   2HG   GLN   2          1HG       GLN   2 -11.722   3.462   3.462
   17   1HE2  GLN   2          2HE2      GLN   2 -13.320   4.249   4.249
   18   2HE2  GLN   2          1HE2      GLN   2 -13.963   4.972   4.972
   19    H    TYR   3           H        TYR   3  -7.993   3.607   3.607
   20    HA   TYR   3           HA       TYR   3  -7.604   3.786   3.786
   21   1HB   TYR   3          2HB       TYR   3  -5.832   2.877   2.877
   22   2HB   TYR   3          1HB       TYR   3  -5.348   2.849   2.849
   23    HD1  TYR   3          2HD       TYR   3  -6.707   5.100   5.100
   24    HD2  TYR   3          1HD       TYR   3  -4.468   4.786   4.786
   25    HE1  TYR   3          2HE       TYR   3  -6.242   7.516   7.516
   26    HE2  TYR   3          1HE       TYR   3  -3.975   7.216   7.216
   27    HH   TYR   3           HH       TYR   3  -5.443   9.337   9.337
   28    H    THR   4           H        THR   4  -8.462   2.165   2.165
   29    HA   THR   4           HA       THR   4  -9.385  -0.326  -0.326
   30    HB   THR   4           HB       THR   4  -8.951   0.380   0.380
   31    HG1  THR   4          1HG       THR   4 -11.207   0.917   0.917
   32   1HG2  THR   4          1HG2      THR   4  -9.580  -1.965  -1.965
   33   2HG2  THR   4          3HG2      THR   4 -11.002  -1.376  -1.376
   34   3HG2  THR   4          2HG2      THR   4 -10.854  -1.120  -1.120
   35    H    ALA   5           H        ALA   5  -6.294   0.689   0.689
   36    HA   ALA   5           HA       ALA   5  -5.078  -1.395  -1.395
   37   1HB   ALA   5          1HB       ALA   5  -4.348   0.764   0.764
   38   2HB   ALA   5          3HB       ALA   5  -3.290  -0.628  -0.628
   39   3HB   ALA   5          2HB       ALA   5  -3.441   0.099   0.099
   40    H    LYS   6           H        LYS   6  -5.953  -3.463  -3.463
   41    HA   LYS   6           HA       LYS   6  -5.472  -4.387  -4.387
   42   1HB   LYS   6          2HB       LYS   6  -7.279  -5.015  -5.015
   43   2HB   LYS   6          1HB       LYS   6  -6.657  -6.445  -6.445
   44   1HG   LYS   6          2HG       LYS   6  -7.327  -4.722  -4.722
   45   2HG   LYS   6          1HG       LYS   6  -8.622  -4.483  -4.483
   46   1HD   LYS   6          2HD       LYS   6  -9.354  -6.293  -6.293
   47   2HD   LYS   6          1HD       LYS   6  -8.758  -7.046  -7.046
   48   1HE   LYS   6          2HE       LYS   6  -7.287  -8.260  -8.260
   49   2HE   LYS   6          1HE       LYS   6  -6.541  -6.764  -6.764
   50   1HZ   LYS   6          2HZ       LYS   6  -9.044  -7.952  -7.952
   51   2HZ   LYS   6          1HZ       LYS   6  -7.514  -8.112  -8.112
   52   3HZ   LYS   6          3HZ       LYS   6  -8.235  -6.582  -6.582
   53    H    ILE   7           H        ILE   7  -3.192  -3.888  -3.888
   54    HA   ILE   7           HA       ILE   7  -1.970  -5.663  -5.663
   55    HB   ILE   7           HB       ILE   7  -0.900  -3.698  -3.698
   56   1HG1  ILE   7          2HG1      ILE   7   0.755  -5.873  -5.873
   57   2HG1  ILE   7          1HG1      ILE   7   0.674  -5.567  -5.567
   58   1HG2  ILE   7          2HG2      ILE   7  -1.548  -4.571  -4.571
   59   2HG2  ILE   7          1HG2      ILE   7  -0.013  -3.725  -3.725
   60   3HG2  ILE   7          3HG2      ILE   7  -1.511  -2.959  -2.959
   61   1HD1  ILE   7          2HD1      ILE   7   1.374  -3.386  -3.386
   62   2HD1  ILE   7          1HD1      ILE   7   2.603  -4.467  -4.467
   63   3HD1  ILE   7          3HD1      ILE   7   1.666  -3.433  -3.433
   64    H    LYS   8           H        LYS   8  -0.611  -6.213  -6.213
   65    HA   LYS   8           HA       LYS   8  -0.422  -9.025  -9.025
   66   1HB   LYS   8          2HB       LYS   8   0.677  -7.131  -7.131
   67   2HB   LYS   8          1HB       LYS   8  -0.345  -8.019  -8.019
   68   1HG   LYS   8          2HG       LYS   8   1.415  -9.529  -9.529
   69   2HG   LYS   8          1HG       LYS   8   2.115  -8.839  -8.839
   70   1HD   LYS   8          2HD       LYS   8   1.042 -10.314 -10.314
   71   2HD   LYS   8          1HD       LYS   8  -0.423 -10.319 -10.319
   72   1HE   LYS   8          2HE       LYS   8   1.126 -11.588 -11.588
   73   2HE   LYS   8          1HE       LYS   8   2.048 -11.999 -11.999
   74   1HZ   LYS   8          2HZ       LYS   8   0.001 -12.737 -12.737
   75   2HZ   LYS   8          1HZ       LYS   8  -0.880 -12.365 -12.365
   76   3HZ   LYS   8          3HZ       LYS   8   0.275 -13.606 -13.606
   77    H    GLY   9           H        GLY   9  -2.926  -7.011  -7.011
   78   1HA   GLY   9          2HA       GLY   9  -5.166  -8.327  -8.327
   79   2HA   GLY   9          1HA       GLY   9  -4.341  -9.351  -9.351
   80    H    ARG  10           H        ARG  10  -4.333  -5.823  -5.823
   81    HA   ARG  10           HA       ARG  10  -5.774  -5.358  -5.358
   82   1HB   ARG  10          2HB       ARG  10  -3.633  -3.919  -3.919
   83   2HB   ARG  10          1HB       ARG  10  -3.752  -5.626  -5.626
   84   1HG   ARG  10          2HG       ARG  10  -2.346  -6.252  -6.252
   85   2HG   ARG  10          1HG       ARG  10  -2.386  -4.608  -4.608
   86   1HD   ARG  10          2HD       ARG  10  -0.665  -3.979  -3.979
   87   2HD   ARG  10          1HD       ARG  10  -1.459  -4.651  -4.651
   88    HE   ARG  10           HE       ARG  10   0.489  -6.038  -6.038
   89   1HH1  ARG  10          1HH2      ARG  10  -2.137  -6.402  -6.402
   90   2HH1  ARG  10          2HH2      ARG  10  -1.644  -7.992  -7.992
   91   1HH2  ARG  10          1HH1      ARG  10   1.087  -8.096  -8.096
   92   2HH2  ARG  10          2HH1      ARG  10   0.158  -8.944  -8.944
   93    H    THR  11           H        THR  11  -7.119  -3.770  -3.770
   94    HA   THR  11           HA       THR  11  -6.306  -1.807  -1.807
   95    HB   THR  11           HB       THR  11  -8.527  -0.782  -0.782
   96    HG1  THR  11          1HG       THR  11  -9.214  -2.206  -2.206
   97   1HG2  THR  11          1HG2      THR  11  -8.009  -1.777  -1.777
   98   2HG2  THR  11          3HG2      THR  11  -8.981  -3.113  -3.113
   99   3HG2  THR  11          2HG2      THR  11  -9.662  -1.488  -1.488
  100    H    PHE  12           H        PHE  12  -5.749   0.397   0.397
  101    HA   PHE  12           HA       PHE  12  -4.736   0.783   0.783
  102   1HB   PHE  12          2HB       PHE  12  -3.950   1.652   1.652
  103   2HB   PHE  12          1HB       PHE  12  -3.397   2.586   2.586
  104    HD1  PHE  12          1HD       PHE  12  -3.432  -0.864  -0.864
  105    HD2  PHE  12          2HD       PHE  12  -1.678   1.788   1.788
  106    HE1  PHE  12          1HE       PHE  12  -1.609  -2.507  -2.507
  107    HE2  PHE  12          2HE       PHE  12   0.099   0.129   0.129
  108   1HZ   PHE  12           HZ       PHE  12   0.121  -2.015  -2.015
  109    H    ARG  13           H        ARG  13  -5.036   2.826   2.826
  110    HA   ARG  13           HA       ARG  13  -7.595   4.130   4.130
  111   1HB   ARG  13          2HB       ARG  13  -6.537   3.511   3.511
  112   2HB   ARG  13          1HB       ARG  13  -5.511   4.927   4.927
  113   1HG   ARG  13          2HG       ARG  13  -7.772   6.163   6.163
  114   2HG   ARG  13          1HG       ARG  13  -8.491   4.796   4.796
  115   1HD   ARG  13          2HD       ARG  13  -6.220   6.465   6.465
  116   2HD   ARG  13          1HD       ARG  13  -7.931   6.737   6.737
  117    HE   ARG  13           HE       ARG  13  -7.500   3.990   3.990
  118   1HH1  ARG  13          1HH2      ARG  13  -6.252   6.983   6.983
  119   2HH1  ARG  13          2HH2      ARG  13  -5.916   6.280   6.280
  120   1HH2  ARG  13          1HH1      ARG  13  -7.048   3.124   3.124
  121   2HH2  ARG  13          2HH1      ARG  13  -6.361   4.119   4.119
  122    H    ASN  14           H        ASN  14  -4.192   5.240   5.240
  123    HA   ASN  14           HA       ASN  14  -4.935   7.547   7.547
  124   1HB   ASN  14          2HB       ASN  14  -3.213   8.802   8.802
  125   2HB   ASN  14          1HB       ASN  14  -4.374   8.120   8.120
  126   1HD2  ASN  14          2HD2      ASN  14  -2.010   5.960   5.960
  127   2HD2  ASN  14          1HD2      ASN  14  -3.657   6.339   6.339
  128    H    GLU  15           H        GLU  15  -3.296   8.193   8.193
  129    HA   GLU  15           HA       GLU  15  -2.056   6.098   6.098
  130   1HB   GLU  15          2HB       GLU  15  -2.656   8.371   8.371
  131   2HB   GLU  15          1HB       GLU  15  -1.337   9.037   9.037
  132   1HG   GLU  15          2HG       GLU  15   0.110   7.258   7.258
  133   2HG   GLU  15          1HG       GLU  15  -1.204   7.364   7.364
  134    H    LYS  16           H        LYS  16  -0.716   8.243   8.243
  135    HA   LYS  16           HA       LYS  16   2.019   7.663   7.663
  136   1HB   LYS  16          2HB       LYS  16   0.488   9.161   9.161
  137   2HB   LYS  16          1HB       LYS  16   0.827   7.834   7.834
  138   1HG   LYS  16          2HG       LYS  16   3.289   8.120   8.120
  139   2HG   LYS  16          1HG       LYS  16   2.798   9.656   9.656
  140   1HD   LYS  16          2HD       LYS  16   1.846   9.142   9.142
  141   2HD   LYS  16          1HD       LYS  16   3.579   9.416   9.416
  142   1HE   LYS  16          2HE       LYS  16   1.671  11.273  11.273
  143   2HE   LYS  16          1HE       LYS  16   1.974  11.486  11.486
  144   1HZ   LYS  16          2HZ       LYS  16   4.379  11.351  11.351
  145   2HZ   LYS  16          1HZ       LYS  16   4.010  11.354  11.354
  146   3HZ   LYS  16          3HZ       LYS  16   3.631  12.704  12.704
  147    H    GLU  17           H        GLU  17  -0.374   5.924   5.924
  148    HA   GLU  17           HA       GLU  17   1.480   3.875   3.875
  149   1HB   GLU  17          2HB       GLU  17  -0.798   4.599   4.599
  150   2HB   GLU  17          1HB       GLU  17  -1.527   3.613   3.613
  151   1HG   GLU  17          2HG       GLU  17  -0.520   1.619   1.619
  152   2HG   GLU  17          1HG       GLU  17   0.566   2.526   2.526
  153    H    LEU  18           H        LEU  18  -0.908   4.101   4.101
  154    HA   LEU  18           HA       LEU  18  -0.568   1.488   1.488
  155   1HB   LEU  18          2HB       LEU  18  -2.374   3.020   3.020
  156   2HB   LEU  18          1HB       LEU  18  -1.213   4.200   4.200
  157    HG   LEU  18           HG       LEU  18  -0.518   2.648   2.648
  158   1HD1  LEU  18          3HD1      LEU  18  -0.938   0.545   0.545
  159   2HD1  LEU  18          2HD1      LEU  18  -2.671   0.811   0.811
  160   3HD1  LEU  18          1HD1      LEU  18  -1.670   0.515   0.515
  161   1HD2  LEU  18          2HD2      LEU  18  -3.416   3.345   3.345
  162   2HD2  LEU  18          1HD2      LEU  18  -2.235   4.001   4.001
  163   3HD2  LEU  18          3HD2      LEU  18  -2.919   2.396   2.396
  164    H    ARG  19           H        ARG  19   1.426   4.355   4.355
  165    HA   ARG  19           HA       ARG  19   3.223   3.294   3.294
  166   1HB   ARG  19          2HB       ARG  19   2.498   5.652   5.652
  167   2HB   ARG  19          1HB       ARG  19   3.126   5.877   5.877
  168   1HG   ARG  19          2HG       ARG  19   5.142   6.386   6.386
  169   2HG   ARG  19          1HG       ARG  19   5.247   4.766   4.766
  170   1HD   ARG  19          2HD       ARG  19   4.981   5.589   5.589
  171   2HD   ARG  19          1HD       ARG  19   3.482   6.413   6.413
  172    HE   ARG  19           HE       ARG  19   5.894   7.723   7.723
  173   1HH1  ARG  19          1HH2      ARG  19   3.662   7.475   7.475
  174   2HH1  ARG  19          2HH2      ARG  19   4.030   9.061   9.061
  175   1HH2  ARG  19          1HH1      ARG  19   6.335   9.768   9.768
  176   2HH2  ARG  19          2HH1      ARG  19   5.526  10.347  10.347
  177    H    ASP  20           H        ASP  20   2.937   3.533   3.533
  178    HA   ASP  20           HA       ASP  20   5.819   3.230   3.230
  179   1HB   ASP  20          2HB       ASP  20   3.820   4.369   4.369
  180   2HB   ASP  20          1HB       ASP  20   3.695   2.752   2.752
  181    H    PHE  21           H        PHE  21   3.115   1.088   1.088
  182    HA   PHE  21           HA       PHE  21   4.256  -1.191  -1.191
  183   1HB   PHE  21          2HB       PHE  21   1.876  -1.203  -1.203
  184   2HB   PHE  21          1HB       PHE  21   2.028  -0.774  -0.774
  185    HD1  PHE  21          2HD       PHE  21   4.249  -3.321  -3.321
  186    HD2  PHE  21          1HD       PHE  21   0.625  -2.655  -2.655
  187    HE1  PHE  21          2HE       PHE  21   4.244  -5.678  -5.678
  188    HE2  PHE  21          1HE       PHE  21   0.621  -5.057  -5.057
  189   1HZ   PHE  21           HZ       PHE  21   2.423  -6.568  -6.568
  190    H    ILE  22           H        ILE  22   4.148  -0.047  -0.047
  191    HA   ILE  22           HA       ILE  22   5.474  -2.216  -2.216
  192    HB   ILE  22           HB       ILE  22   5.653   0.738   0.738
  193   1HG1  ILE  22          2HG1      ILE  22   3.329  -0.103  -0.103
  194   2HG1  ILE  22          1HG1      ILE  22   3.808   0.286   0.286
  195   1HG2  ILE  22          1HG2      ILE  22   7.137  -1.327  -1.327
  196   2HG2  ILE  22          3HG2      ILE  22   5.797  -1.115  -1.115
  197   3HG2  ILE  22          2HG2      ILE  22   6.840   0.250   0.250
  198   1HD1  ILE  22          1HD1      ILE  22   4.446  -2.184  -2.184
  199   2HD1  ILE  22          3HD1      ILE  22   3.577  -2.447  -2.447
  200   3HD1  ILE  22          2HD1      ILE  22   2.724  -1.824  -1.824
  201    H    GLU  23           H        GLU  23   6.737   0.481   0.481
  202    HA   GLU  23           HA       GLU  23   9.521   0.170   0.170
  203   1HB   GLU  23          2HB       GLU  23   8.350   2.099   2.099
  204   2HB   GLU  23          1HB       GLU  23   8.200   1.079   1.079
  205   1HG   GLU  23          2HG       GLU  23  10.828   0.768   0.768
  206   2HG   GLU  23          1HG       GLU  23  10.625   2.358   2.358
  207    H    LYS  24           H        LYS  24   7.409  -1.194  -1.194
  208    HA   LYS  24           HA       LYS  24   9.574  -3.012  -3.012
  209   1HB   LYS  24          2HB       LYS  24   8.192  -1.673  -1.673
  210   2HB   LYS  24          1HB       LYS  24   6.745  -2.487  -2.487
  211   1HG   LYS  24          2HG       LYS  24   7.181  -4.391  -4.391
  212   2HG   LYS  24          1HG       LYS  24   8.911  -4.316  -4.316
  213   1HD   LYS  24          2HD       LYS  24   9.339  -2.904  -2.904
  214   2HD   LYS  24          1HD       LYS  24   7.671  -2.332  -2.332
  215   1HE   LYS  24          2HE       LYS  24   7.004  -4.084  -4.084
  216   2HE   LYS  24          1HE       LYS  24   8.010  -5.249  -5.249
  217   1HZ   LYS  24          2HZ       LYS  24   9.975  -4.263  -4.263
  218   2HZ   LYS  24          1HZ       LYS  24   8.991  -3.202  -3.202
  219   3HZ   LYS  24          3HZ       LYS  24   8.911  -4.871  -4.871
  220    H    PHE  25           H        PHE  25   7.877  -3.178  -3.178
  221    HA   PHE  25           HA       PHE  25   6.556  -5.829  -5.829
  222   1HB   PHE  25          2HB       PHE  25   5.260  -4.032  -4.032
  223   2HB   PHE  25          1HB       PHE  25   6.568  -3.607  -3.607
  224    HD1  PHE  25          2HD       PHE  25   5.290  -7.033  -7.033
  225    HD2  PHE  25          1HD       PHE  25   5.540  -3.785  -3.785
  226    HE1  PHE  25          2HE       PHE  25   4.319  -8.485  -8.485
  227    HE2  PHE  25          1HE       PHE  25   4.565  -5.241  -5.241
  228   1HZ   PHE  25           HZ       PHE  25   3.954  -7.590  -7.590
  229    H    LYS  26           H        LYS  26   9.586  -4.704  -4.704
  230    HA   LYS  26           HA       LYS  26  11.427  -5.650  -5.650
  231   1HB   LYS  26          2HB       LYS  26   9.618  -8.080  -8.080
  232   2HB   LYS  26          1HB       LYS  26  11.376  -8.057  -8.057
  233   1HG   LYS  26          2HG       LYS  26  10.582  -6.814  -6.814
  234   2HG   LYS  26          1HG       LYS  26   9.638  -8.293  -8.293
  235   1HD   LYS  26          2HD       LYS  26  12.194  -9.076  -9.076
  236   2HD   LYS  26          1HD       LYS  26  12.498  -7.962  -7.962
  237   1HE   LYS  26          2HE       LYS  26  10.405  -9.441  -9.441
  238   2HE   LYS  26          1HE       LYS  26  11.295 -10.655 -10.655
  239   1HZ   LYS  26          3HZ       LYS  26  13.361  -9.736  -9.736
  240   2HZ   LYS  26          2HZ       LYS  26  12.371  -8.843  -8.843
  241   3HZ   LYS  26          1HZ       LYS  26  12.330 -10.542 -10.542
  242    H    GLY  27           H        GLY  27   9.335  -4.157  -4.157
  243   1HA   GLY  27          2HA       GLY  27  10.070  -4.809  -4.809
  244   2HA   GLY  27          1HA       GLY  27   8.358  -5.043  -5.043
  245    H    ARG  28           H        ARG  28  10.653  -2.583  -2.583
  246    HA   ARG  28           HA       ARG  28   8.885  -0.405  -0.405
  247   1HB   ARG  28          2HB       ARG  28  10.974   0.945   0.945
  248   2HB   ARG  28          1HB       ARG  28  11.138  -0.454  -0.454
  249   1HG   ARG  28          2HG       ARG  28  12.036  -1.625  -1.625
  250   2HG   ARG  28          1HG       ARG  28  12.362   0.035   0.035
  251   1HD   ARG  28          2HD       ARG  28  14.066   0.280   0.280
  252   2HD   ARG  28          1HD       ARG  28  13.213  -0.638  -0.638
  253    HE   ARG  28           HE       ARG  28  13.758  -2.576  -2.576
  254   1HH1  ARG  28          1HH2      ARG  28  15.751  -0.159  -0.159
  255   2HH1  ARG  28          2HH2      ARG  28  17.183  -1.120  -1.120
  256   1HH2  ARG  28          1HH1      ARG  28  15.637  -3.785  -3.785
  257   2HH2  ARG  28          2HH1      ARG  28  17.121  -3.151  -3.151

  Start of MODEL   11
    1   1H    GLN   1          3HT       GLN   1 -13.102   4.066   4.066
    2   2H    GLN   1          2HT       GLN   1 -12.614   4.125   4.125
    3   3H    GLN   1          1HT       GLN   1 -14.266   4.162   4.162
    4    HA   GLN   1           HA       GLN   1 -14.027   6.326   6.326
    5   1HB   GLN   1          2HB       GLN   1 -14.342   5.836   5.836
    6   2HB   GLN   1          1HB       GLN   1 -12.650   6.308   6.308
    7   1HG   GLN   1          2HG       GLN   1 -13.495   8.386   8.386
    8   2HG   GLN   1          1HG       GLN   1 -15.022   7.978   7.978
    9   1HE2  GLN   1          2HE2      GLN   1 -14.052   9.388   9.388
   10   2HE2  GLN   1          1HE2      GLN   1 -15.303   8.799   8.799
   11    H    GLN   2           H        GLN   2 -11.008   5.605   5.605
   12    HA   GLN   2           HA       GLN   2  -9.482   7.531   7.531
   13   1HB   GLN   2          2HB       GLN   2  -8.776   5.513   5.513
   14   2HB   GLN   2          1HB       GLN   2  -7.637   6.684   6.684
   15   1HG   GLN   2          2HG       GLN   2 -10.275   7.424   7.424
   16   2HG   GLN   2          1HG       GLN   2  -8.719   7.458   7.458
   17   1HE2  GLN   2          2HE2      GLN   2  -9.763  10.573  10.573
   18   2HE2  GLN   2          1HE2      GLN   2 -10.847   9.343   9.343
   19    H    TYR   3           H        TYR   3  -8.146   4.304   4.304
   20    HA   TYR   3           HA       TYR   3  -7.908   3.885   3.885
   21   1HB   TYR   3          2HB       TYR   3  -5.965   3.848   3.848
   22   2HB   TYR   3          1HB       TYR   3  -5.751   2.633   2.633
   23    HD1  TYR   3          2HD       TYR   3  -6.595   6.269   6.269
   24    HD2  TYR   3          1HD       TYR   3  -4.417   3.212   3.212
   25    HE1  TYR   3          2HE       TYR   3  -5.660   7.986   7.986
   26    HE2  TYR   3          1HE       TYR   3  -3.457   4.935   4.935
   27    HH   TYR   3           HH       TYR   3  -3.796   8.324   8.324
   28    H    THR   4           H        THR   4  -9.308   2.272   2.272
   29    HA   THR   4           HA       THR   4  -9.644  -0.007  -0.007
   30    HB   THR   4           HB       THR   4 -11.018   0.639   0.639
   31    HG1  THR   4          1HG       THR   4 -12.231   1.989   1.989
   32   1HG2  THR   4          3HG2      THR   4 -11.289  -1.677  -1.677
   33   2HG2  THR   4          2HG2      THR   4 -11.877  -1.038  -1.038
   34   3HG2  THR   4          1HG2      THR   4 -12.806  -0.780  -0.780
   35    H    ALA   5           H        ALA   5  -7.680   0.785   0.785
   36    HA   ALA   5           HA       ALA   5  -7.599  -1.427  -1.427
   37   1HB   ALA   5          2HB       ALA   5  -6.180   0.859   0.859
   38   2HB   ALA   5          1HB       ALA   5  -5.001  -0.330  -0.330
   39   3HB   ALA   5          3HB       ALA   5  -5.655  -0.434  -0.434
   40    H    LYS   6           H        LYS   6  -6.740  -3.497  -3.497
   41    HA   LYS   6           HA       LYS   6  -5.610  -4.317  -4.317
   42   1HB   LYS   6          2HB       LYS   6  -7.335  -5.727  -5.727
   43   2HB   LYS   6          1HB       LYS   6  -6.575  -6.575  -6.575
   44   1HG   LYS   6          2HG       LYS   6  -7.692  -4.885  -4.885
   45   2HG   LYS   6          1HG       LYS   6  -8.621  -4.349  -4.349
   46   1HD   LYS   6          2HD       LYS   6  -8.527  -7.271  -7.271
   47   2HD   LYS   6          1HD       LYS   6  -9.639  -6.187  -6.187
   48   1HE   LYS   6          2HE       LYS   6 -10.817  -5.663  -5.663
   49   2HE   LYS   6          1HE       LYS   6  -9.508  -6.271  -6.271
   50   1HZ   LYS   6          1HZ       LYS   6  -9.866  -8.478  -8.478
   51   2HZ   LYS   6          3HZ       LYS   6 -11.285  -7.845  -7.845
   52   3HZ   LYS   6          2HZ       LYS   6 -11.137  -7.971  -7.971
   53    H    ILE   7           H        ILE   7  -3.629  -3.386  -3.386
   54    HA   ILE   7           HA       ILE   7  -2.483  -4.715  -4.715
   55    HB   ILE   7           HB       ILE   7  -1.585  -2.674  -2.674
   56   1HG1  ILE   7          2HG1      ILE   7   0.522  -4.717  -4.717
   57   2HG1  ILE   7          1HG1      ILE   7   0.092  -4.277  -4.277
   58   1HG2  ILE   7          1HG2      ILE   7  -1.884  -3.838  -3.838
   59   2HG2  ILE   7          3HG2      ILE   7  -0.249  -3.199  -3.199
   60   3HG2  ILE   7          2HG2      ILE   7  -1.641  -2.148  -2.148
   61   1HD1  ILE   7          3HD1      ILE   7   0.957  -2.269  -2.269
   62   2HD1  ILE   7          2HD1      ILE   7   2.067  -3.014  -3.014
   63   3HD1  ILE   7          1HD1      ILE   7   0.754  -1.991  -1.991
   64    H    LYS   8           H        LYS   8  -0.634  -5.343  -5.343
   65    HA   LYS   8           HA       LYS   8  -0.101  -8.041  -8.041
   66   1HB   LYS   8          2HB       LYS   8   1.026  -6.278  -6.278
   67   2HB   LYS   8          1HB       LYS   8   0.027  -7.090  -7.090
   68   1HG   LYS   8          2HG       LYS   8   1.907  -8.527  -8.527
   69   2HG   LYS   8          1HG       LYS   8   2.324  -8.088  -8.088
   70   1HD   LYS   8          2HD       LYS   8   0.047  -9.334  -9.334
   71   2HD   LYS   8          1HD       LYS   8   0.377 -10.138 -10.138
   72   1HE   LYS   8          2HE       LYS   8   2.704 -10.658 -10.658
   73   2HE   LYS   8          1HE       LYS   8   2.140 -10.090 -10.090
   74   1HZ   LYS   8          3HZ       LYS   8   0.764 -12.155 -12.155
   75   2HZ   LYS   8          2HZ       LYS   8   1.793 -12.501 -12.501
   76   3HZ   LYS   8          1HZ       LYS   8   0.340 -11.658 -11.658
   77    H    GLY   9           H        GLY   9  -2.735  -6.519  -6.519
   78   1HA   GLY   9          2HA       GLY   9  -4.775  -8.128  -8.128
   79   2HA   GLY   9          1HA       GLY   9  -3.744  -9.148  -9.148
   80    H    ARG  10           H        ARG  10  -4.467  -5.628  -5.628
   81    HA   ARG  10           HA       ARG  10  -5.734  -5.755  -5.755
   82   1HB   ARG  10          2HB       ARG  10  -3.797  -4.008  -4.008
   83   2HB   ARG  10          1HB       ARG  10  -3.699  -5.735  -5.735
   84   1HG   ARG  10          2HG       ARG  10  -2.379  -5.998  -5.998
   85   2HG   ARG  10          1HG       ARG  10  -2.394  -4.242  -4.242
   86   1HD   ARG  10          2HD       ARG  10  -1.332  -5.666  -5.666
   87   2HD   ARG  10          1HD       ARG  10  -0.307  -5.135  -5.135
   88    HE   ARG  10           HE       ARG  10  -1.846  -2.896  -2.896
   89   1HH1  ARG  10          1HH2      ARG  10   0.377  -4.974  -4.974
   90   2HH1  ARG  10          2HH2      ARG  10   0.865  -3.716  -3.716
   91   1HH2  ARG  10          1HH1      ARG  10  -1.187  -1.304  -1.304
   92   2HH2  ARG  10          2HH1      ARG  10  -0.010  -1.662  -1.662
   93    H    THR  11           H        THR  11  -6.898  -3.908  -3.908
   94    HA   THR  11           HA       THR  11  -7.117  -1.850  -1.850
   95    HB   THR  11           HB       THR  11  -8.824  -1.080  -1.080
   96    HG1  THR  11          1HG       THR  11  -9.499  -2.925  -2.925
   97   1HG2  THR  11          3HG2      THR  11  -9.137  -2.314  -2.314
   98   2HG2  THR  11          2HG2      THR  11  -9.552  -3.676  -3.676
   99   3HG2  THR  11          1HG2      THR  11 -10.477  -2.178  -2.178
  100    H    PHE  12           H        PHE  12  -5.951   0.077   0.077
  101    HA   PHE  12           HA       PHE  12  -4.326   0.457   0.457
  102   1HB   PHE  12          2HB       PHE  12  -4.412   1.673   1.673
  103   2HB   PHE  12          1HB       PHE  12  -3.280   2.201   2.201
  104    HD1  PHE  12          1HD       PHE  12  -4.495  -0.918  -0.918
  105    HD2  PHE  12          2HD       PHE  12  -1.262   1.060   1.060
  106    HE1  PHE  12          1HE       PHE  12  -3.020  -2.807  -2.807
  107    HE2  PHE  12          2HE       PHE  12   0.226  -0.851  -0.851
  108   1HZ   PHE  12           HZ       PHE  12  -0.658  -2.788  -2.788
  109    H    ARG  13           H        ARG  13  -4.541   2.218   2.218
  110    HA   ARG  13           HA       ARG  13  -7.099   3.575   3.575
  111   1HB   ARG  13          2HB       ARG  13  -5.102   2.919   2.919
  112   2HB   ARG  13          1HB       ARG  13  -4.769   4.634   4.634
  113   1HG   ARG  13          2HG       ARG  13  -7.532   4.568   4.568
  114   2HG   ARG  13          1HG       ARG  13  -6.974   3.343   3.343
  115   1HD   ARG  13          2HD       ARG  13  -5.182   5.280   5.280
  116   2HD   ARG  13          1HD       ARG  13  -6.539   6.291   6.291
  117    HE   ARG  13           HE       ARG  13  -7.681   4.348   4.348
  118   1HH1  ARG  13          1HH2      ARG  13  -5.251   6.846   6.846
  119   2HH1  ARG  13          2HH2      ARG  13  -5.563   7.073   7.073
  120   1HH2  ARG  13          1HH1      ARG  13  -8.051   4.677   4.677
  121   2HH2  ARG  13          2HH1      ARG  13  -7.131   5.862   5.862
  122    H    ASN  14           H        ASN  14  -3.983   4.360   4.360
  123    HA   ASN  14           HA       ASN  14  -5.124   6.769   6.769
  124   1HB   ASN  14          2HB       ASN  14  -3.379   8.240   8.240
  125   2HB   ASN  14          1HB       ASN  14  -4.402   7.537   7.537
  126   1HD2  ASN  14          2HD2      ASN  14  -1.683   6.000   6.000
  127   2HD2  ASN  14          1HD2      ASN  14  -3.288   6.542   6.542
  128    H    GLU  15           H        GLU  15  -3.349   7.796   7.796
  129    HA   GLU  15           HA       GLU  15  -2.215   5.770   5.770
  130   1HB   GLU  15          2HB       GLU  15  -2.974   8.222   8.222
  131   2HB   GLU  15          1HB       GLU  15  -1.337   8.643   8.643
  132   1HG   GLU  15          2HG       GLU  15  -1.787   6.516   6.516
  133   2HG   GLU  15          1HG       GLU  15  -1.776   8.221   8.221
  134    H    LYS  16           H        LYS  16  -0.785   7.946   7.946
  135    HA   LYS  16           HA       LYS  16   1.946   7.477   7.477
  136   1HB   LYS  16          2HB       LYS  16   0.754   9.025   9.025
  137   2HB   LYS  16          1HB       LYS  16   0.530   7.628   7.628
  138   1HG   LYS  16          2HG       LYS  16   2.838   7.390   7.390
  139   2HG   LYS  16          1HG       LYS  16   3.267   8.338   8.338
  140   1HD   LYS  16          2HD       LYS  16   2.304  10.359  10.359
  141   2HD   LYS  16          1HD       LYS  16   1.986   9.396   9.396
  142   1HE   LYS  16          2HE       LYS  16   4.076  10.373  10.373
  143   2HE   LYS  16          1HE       LYS  16   4.552   8.801   8.801
  144   1HZ   LYS  16          1HZ       LYS  16   4.246  11.312  11.312
  145   2HZ   LYS  16          3HZ       LYS  16   5.729  10.641  10.641
  146   3HZ   LYS  16          2HZ       LYS  16   4.732   9.804   9.804
  147    H    GLU  17           H        GLU  17  -0.347   5.474   5.474
  148    HA   GLU  17           HA       GLU  17   1.632   3.541   3.541
  149   1HB   GLU  17          2HB       GLU  17  -1.117   4.098   4.098
  150   2HB   GLU  17          1HB       GLU  17  -1.070   2.487   2.487
  151   1HG   GLU  17          2HG       GLU  17  -0.765   1.856   1.856
  152   2HG   GLU  17          1HG       GLU  17   0.919   2.222   2.222
  153    H    LEU  18           H        LEU  18  -0.649   3.706   3.706
  154    HA   LEU  18           HA       LEU  18  -0.048   1.199   1.199
  155   1HB   LEU  18          2HB       LEU  18  -1.883   2.931   2.931
  156   2HB   LEU  18          1HB       LEU  18  -0.659   3.824   3.824
  157    HG   LEU  18           HG       LEU  18  -0.261   1.498   1.498
  158   1HD1  LEU  18          3HD1      LEU  18  -1.863   0.346   0.346
  159   2HD1  LEU  18          2HD1      LEU  18  -3.167   1.266   1.266
  160   3HD1  LEU  18          1HD1      LEU  18  -2.235   0.114   0.114
  161   1HD2  LEU  18          3HD2      LEU  18  -1.450   3.802   3.802
  162   2HD2  LEU  18          2HD2      LEU  18  -1.396   2.385   2.385
  163   3HD2  LEU  18          1HD2      LEU  18  -2.842   2.722   2.722
  164    H    ARG  19           H        ARG  19   1.761   4.171   4.171
  165    HA   ARG  19           HA       ARG  19   3.708   3.334   3.334
  166   1HB   ARG  19          2HB       ARG  19   2.737   5.599   5.599
  167   2HB   ARG  19          1HB       ARG  19   3.273   5.895   5.895
  168   1HG   ARG  19          2HG       ARG  19   5.646   5.435   5.435
  169   2HG   ARG  19          1HG       ARG  19   4.987   5.514   5.514
  170   1HD   ARG  19          2HD       ARG  19   3.933   7.793   7.793
  171   2HD   ARG  19          1HD       ARG  19   5.323   7.709   7.709
  172    HE   ARG  19           HE       ARG  19   6.032   7.125   7.125
  173   1HH1  ARG  19          1HH2      ARG  19   5.542   9.662   9.662
  174   2HH1  ARG  19          2HH2      ARG  19   6.583  10.769  10.769
  175   1HH2  ARG  19          1HH1      ARG  19   7.368   8.594   8.594
  176   2HH2  ARG  19          2HH1      ARG  19   7.605  10.174  10.174
  177    H    ASP  20           H        ASP  20   3.292   3.559   3.559
  178    HA   ASP  20           HA       ASP  20   6.234   3.247   3.247
  179   1HB   ASP  20          2HB       ASP  20   3.861   4.132   4.132
  180   2HB   ASP  20          1HB       ASP  20   5.297   3.547   3.547
  181    H    PHE  21           H        PHE  21   3.618   1.231   1.231
  182    HA   PHE  21           HA       PHE  21   4.248  -0.741  -0.741
  183   1HB   PHE  21          2HB       PHE  21   1.954  -0.602  -0.602
  184   2HB   PHE  21          1HB       PHE  21   2.324  -0.478  -0.478
  185    HD1  PHE  21          2HD       PHE  21   3.628  -2.906  -2.906
  186    HD2  PHE  21          1HD       PHE  21   1.248  -2.301  -2.301
  187    HE1  PHE  21          2HE       PHE  21   3.421  -5.347  -5.347
  188    HE2  PHE  21          1HE       PHE  21   1.041  -4.761  -4.761
  189   1HZ   PHE  21           HZ       PHE  21   2.121  -6.288  -6.288
  190    H    ILE  22           H        ILE  22   4.342  -0.604  -0.604
  191    HA   ILE  22           HA       ILE  22   5.779  -2.992  -2.992
  192    HB   ILE  22           HB       ILE  22   5.811  -0.396  -0.396
  193   1HG1  ILE  22          2HG1      ILE  22   3.548  -1.333  -1.333
  194   2HG1  ILE  22          1HG1      ILE  22   4.056  -1.474  -1.474
  195   1HG2  ILE  22          1HG2      ILE  22   7.676  -1.971  -1.971
  196   2HG2  ILE  22          3HG2      ILE  22   6.458  -3.177  -3.177
  197   3HG2  ILE  22          2HG2      ILE  22   6.558  -1.675  -1.675
  198   1HD1  ILE  22          3HD1      ILE  22   4.831  -3.833  -3.833
  199   2HD1  ILE  22          2HD1      ILE  22   4.018  -3.656  -3.656
  200   3HD1  ILE  22          1HD1      ILE  22   3.085  -3.587  -3.587
  201    H    GLU  23           H        GLU  23   6.867   0.236   0.236
  202    HA   GLU  23           HA       GLU  23   9.680  -0.123  -0.123
  203   1HB   GLU  23          2HB       GLU  23   7.905   1.600   1.600
  204   2HB   GLU  23          1HB       GLU  23   9.655   1.663   1.663
  205   1HG   GLU  23          2HG       GLU  23   9.840   2.068   2.068
  206   2HG   GLU  23          1HG       GLU  23   8.085   2.249   2.249
  207    H    LYS  24           H        LYS  24   7.520  -0.696  -0.696
  208    HA   LYS  24           HA       LYS  24   9.704  -2.025  -2.025
  209   1HB   LYS  24          2HB       LYS  24   6.909  -1.023  -1.023
  210   2HB   LYS  24          1HB       LYS  24   7.789  -2.016  -2.016
  211   1HG   LYS  24          2HG       LYS  24   9.698  -0.350  -0.350
  212   2HG   LYS  24          1HG       LYS  24   8.598   0.689   0.689
  213   1HD   LYS  24          2HD       LYS  24   7.461   1.308   1.308
  214   2HD   LYS  24          1HD       LYS  24   7.432  -0.335  -0.335
  215   1HE   LYS  24          2HE       LYS  24   9.982   0.068   0.068
  216   2HE   LYS  24          1HE       LYS  24   9.545   1.784   1.784
  217   1HZ   LYS  24          2HZ       LYS  24   7.758   1.416   1.416
  218   2HZ   LYS  24          1HZ       LYS  24   8.178  -0.226  -0.226
  219   3HZ   LYS  24          3HZ       LYS  24   9.248   0.968   0.968
  220    H    PHE  25           H        PHE  25   8.121  -3.105  -3.105
  221    HA   PHE  25           HA       PHE  25   6.842  -5.530  -5.530
  222   1HB   PHE  25          2HB       PHE  25   5.567  -4.189  -4.189
  223   2HB   PHE  25          1HB       PHE  25   6.915  -4.134  -4.134
  224    HD1  PHE  25          2HD       PHE  25   5.718  -7.165  -7.165
  225    HD2  PHE  25          1HD       PHE  25   5.897  -5.001  -5.001
  226    HE1  PHE  25          2HE       PHE  25   4.827  -9.148  -9.148
  227    HE2  PHE  25          1HE       PHE  25   5.003  -6.993  -6.993
  228   1HZ   PHE  25           HZ       PHE  25   4.467  -9.065  -9.065
  229    H    LYS  26           H        LYS  26   9.889  -4.648  -4.648
  230    HA   LYS  26           HA       LYS  26  11.815  -5.880  -5.880
  231   1HB   LYS  26          2HB       LYS  26  10.117  -7.645  -7.645
  232   2HB   LYS  26          1HB       LYS  26  10.496  -8.502  -8.502
  233   1HG   LYS  26          2HG       LYS  26  12.877  -8.283  -8.283
  234   2HG   LYS  26          1HG       LYS  26  12.581  -7.257  -7.257
  235   1HD   LYS  26          2HD       LYS  26  11.348  -9.155  -9.155
  236   2HD   LYS  26          1HD       LYS  26  11.803 -10.172 -10.172
  237   1HE   LYS  26          2HE       LYS  26  13.923  -8.681  -8.681
  238   2HE   LYS  26          1HE       LYS  26  13.320 -10.251 -10.251
  239   1HZ   LYS  26          2HZ       LYS  26  13.701 -11.110 -11.110
  240   2HZ   LYS  26          1HZ       LYS  26  14.456  -9.641  -9.641
  241   3HZ   LYS  26          3HZ       LYS  26  15.135 -10.647 -10.647
  242    H    GLY  27           H        GLY  27   9.859  -4.846  -4.846
  243   1HA   GLY  27          2HA       GLY  27  10.629  -6.555  -6.555
  244   2HA   GLY  27          1HA       GLY  27   8.987  -5.920  -5.920
  245    H    ARG  28           H        ARG  28   9.518  -3.353  -3.353
  246    HA   ARG  28           HA       ARG  28   9.994  -1.189  -1.189
  247   1HB   ARG  28          2HB       ARG  28  12.259  -2.160  -2.160
  248   2HB   ARG  28          1HB       ARG  28  12.457  -2.573  -2.573
  249   1HG   ARG  28          2HG       ARG  28  13.535  -0.453  -0.453
  250   2HG   ARG  28          1HG       ARG  28  12.025  -0.130  -0.130
  251   1HD   ARG  28          2HD       ARG  28  11.253   1.152   1.152
  252   2HD   ARG  28          1HD       ARG  28  11.646  -0.097  -0.097
  253    HE   ARG  28           HE       ARG  28  13.658   1.049   1.049
  254   1HH1  ARG  28          1HH2      ARG  28  12.452   1.919   1.919
  255   2HH1  ARG  28          2HH2      ARG  28  13.717   3.065   3.065
  256   1HH2  ARG  28          1HH1      ARG  28  15.277   2.539   2.539
  257   2HH2  ARG  28          2HH1      ARG  28  15.302   3.413   3.413

  Start of MODEL   12
    1   1H    GLN   1          1HT       GLN   1 -15.108   3.860   3.860
    2   2H    GLN   1          3HT       GLN   1 -15.420   2.313   2.313
    3   3H    GLN   1          2HT       GLN   1 -14.391   3.374   3.374
    4    HA   GLN   1           HA       GLN   1 -13.116   1.665   1.665
    5   1HB   GLN   1          2HB       GLN   1 -15.170   2.176   2.176
    6   2HB   GLN   1          1HB       GLN   1 -13.694   2.736   2.736
    7   1HG   GLN   1          2HG       GLN   1 -13.492   0.536   0.536
    8   2HG   GLN   1          1HG       GLN   1 -12.810   0.390   0.390
    9   1HE2  GLN   1          2HE2      GLN   1 -15.944  -1.835  -1.835
   10   2HE2  GLN   1          1HE2      GLN   1 -14.769  -1.326  -1.326
   11    H    GLN   2           H        GLN   2 -10.988   2.279   2.279
   12    HA   GLN   2           HA       GLN   2 -10.534   5.238   5.238
   13   1HB   GLN   2          2HB       GLN   2  -9.004   2.978   2.978
   14   2HB   GLN   2          1HB       GLN   2  -8.293   4.571   4.571
   15   1HG   GLN   2          2HG       GLN   2  -9.184   4.979   4.979
   16   2HG   GLN   2          1HG       GLN   2 -10.641   5.301   5.301
   17   1HE2  GLN   2          2HE2      GLN   2 -12.190   2.885   2.885
   18   2HE2  GLN   2          1HE2      GLN   2 -12.090   4.531   4.531
   19    H    TYR   3           H        TYR   3  -8.206   2.585   2.585
   20    HA   TYR   3           HA       TYR   3  -7.920   3.536   3.536
   21   1HB   TYR   3          2HB       TYR   3  -5.991   2.562   2.562
   22   2HB   TYR   3          1HB       TYR   3  -5.570   2.481   2.481
   23    HD1  TYR   3          2HD       TYR   3  -7.142   4.902   4.902
   24    HD2  TYR   3          1HD       TYR   3  -4.456   4.310   4.310
   25    HE1  TYR   3          2HE       TYR   3  -6.605   7.324   7.324
   26    HE2  TYR   3          1HE       TYR   3  -3.920   6.727   6.727
   27    HH   TYR   3           HH       TYR   3  -4.875   8.826   8.826
   28    H    THR   4           H        THR   4  -8.775   2.109   2.109
   29    HA   THR   4           HA       THR   4  -9.396  -0.638  -0.638
   30    HB   THR   4           HB       THR   4  -9.230   0.634   0.634
   31    HG1  THR   4          1HG       THR   4 -11.216   0.866   0.866
   32   1HG2  THR   4          1HG2      THR   4  -9.889  -1.899  -1.899
   33   2HG2  THR   4          3HG2      THR   4 -11.462  -1.128  -1.128
   34   3HG2  THR   4          2HG2      THR   4 -10.632  -1.039  -1.039
   35    H    ALA   5           H        ALA   5  -6.455   0.780   0.780
   36    HA   ALA   5           HA       ALA   5  -5.327  -1.093  -1.093
   37   1HB   ALA   5          2HB       ALA   5  -4.578   1.241   1.241
   38   2HB   ALA   5          1HB       ALA   5  -3.651   0.145   0.145
   39   3HB   ALA   5          3HB       ALA   5  -3.409   0.133   0.133
   40    H    LYS   6           H        LYS   6  -6.172  -3.174  -3.174
   41    HA   LYS   6           HA       LYS   6  -5.234  -4.112  -4.112
   42   1HB   LYS   6          2HB       LYS   6  -6.242  -6.246  -6.246
   43   2HB   LYS   6          1HB       LYS   6  -7.332  -4.879  -4.879
   44   1HG   LYS   6          2HG       LYS   6  -7.314  -5.091  -5.091
   45   2HG   LYS   6          1HG       LYS   6  -5.565  -5.294  -5.294
   46   1HD   LYS   6          2HD       LYS   6  -6.615  -7.336  -7.336
   47   2HD   LYS   6          1HD       LYS   6  -5.869  -7.662  -7.662
   48   1HE   LYS   6          2HE       LYS   6  -7.975  -7.615  -7.615
   49   2HE   LYS   6          1HE       LYS   6  -8.789  -6.885  -6.885
   50   1HZ   LYS   6          1HZ       LYS   6  -7.457  -9.542  -9.542
   51   2HZ   LYS   6          3HZ       LYS   6  -9.131  -9.307  -9.307
   52   3HZ   LYS   6          2HZ       LYS   6  -8.315  -8.841  -8.841
   53    H    ILE   7           H        ILE   7  -2.915  -3.448  -3.448
   54    HA   ILE   7           HA       ILE   7  -1.325  -4.676  -4.676
   55    HB   ILE   7           HB       ILE   7  -0.753  -3.851  -3.851
   56   1HG1  ILE   7          2HG1      ILE   7  -0.278  -2.457  -2.457
   57   2HG1  ILE   7          1HG1      ILE   7  -1.619  -2.111  -2.111
   58   1HG2  ILE   7          1HG2      ILE   7   1.175  -4.491  -4.491
   59   2HG2  ILE   7          3HG2      ILE   7   1.625  -3.648  -3.648
   60   3HG2  ILE   7          2HG2      ILE   7   1.058  -5.313  -5.313
   61   1HD1  ILE   7          1HD1      ILE   7   1.324  -1.836  -1.836
   62   2HD1  ILE   7          3HD1      ILE   7   0.227  -0.502  -0.502
   63   3HD1  ILE   7          2HD1      ILE   7  -0.019  -1.487  -1.487
   64    H    LYS   8           H        LYS   8  -0.624  -5.818  -5.818
   65    HA   LYS   8           HA       LYS   8  -0.281  -8.523  -8.523
   66   1HB   LYS   8          2HB       LYS   8   1.078  -7.098  -7.098
   67   2HB   LYS   8          1HB       LYS   8  -0.117  -7.705  -7.705
   68   1HG   LYS   8          2HG       LYS   8   1.830  -9.190  -9.190
   69   2HG   LYS   8          1HG       LYS   8   0.427 -10.028 -10.028
   70   1HD   LYS   8          2HD       LYS   8   1.887  -8.588  -8.588
   71   2HD   LYS   8          1HD       LYS   8   2.928  -9.730  -9.730
   72   1HE   LYS   8          2HE       LYS   8   1.111 -11.485 -11.485
   73   2HE   LYS   8          1HE       LYS   8   0.332 -10.328 -10.328
   74   1HZ   LYS   8          3HZ       LYS   8   3.195 -11.079 -11.079
   75   2HZ   LYS   8          2HZ       LYS   8   1.972 -11.870 -11.870
   76   3HZ   LYS   8          1HZ       LYS   8   2.268 -10.216 -10.216
   77    H    GLY   9           H        GLY   9  -2.738  -6.712  -6.712
   78   1HA   GLY   9          2HA       GLY   9  -4.939  -8.167  -8.167
   79   2HA   GLY   9          1HA       GLY   9  -4.116  -9.168  -9.168
   80    H    ARG  10           H        ARG  10  -4.599  -5.629  -5.629
   81    HA   ARG  10           HA       ARG  10  -6.165  -5.456  -5.456
   82   1HB   ARG  10          2HB       ARG  10  -4.254  -3.784  -3.784
   83   2HB   ARG  10          1HB       ARG  10  -4.308  -5.486  -5.486
   84   1HG   ARG  10          2HG       ARG  10  -2.769  -5.677  -5.677
   85   2HG   ARG  10          1HG       ARG  10  -2.391  -4.021  -4.021
   86   1HD   ARG  10          2HD       ARG  10  -1.015  -4.790  -4.790
   87   2HD   ARG  10          1HD       ARG  10  -2.366  -5.641  -5.641
   88    HE   ARG  10           HE       ARG  10  -1.417  -7.039  -7.039
   89   1HH1  ARG  10          1HH2      ARG  10  -0.796  -6.496  -6.496
   90   2HH1  ARG  10          2HH2      ARG  10   0.014  -8.011  -8.011
   91   1HH2  ARG  10          1HH1      ARG  10  -0.365  -8.988  -8.988
   92   2HH2  ARG  10          2HH1      ARG  10   0.254  -9.410  -9.410
   93    H    THR  11           H        THR  11  -7.360  -3.644  -3.644
   94    HA   THR  11           HA       THR  11  -7.014  -1.646  -1.646
   95    HB   THR  11           HB       THR  11  -8.993  -1.935  -1.935
   96    HG1  THR  11          1HG       THR  11  -9.978  -3.275  -3.275
   97   1HG2  THR  11          3HG2      THR  11  -8.596   0.374   0.374
   98   2HG2  THR  11          2HG2      THR  11  -9.464  -0.360  -0.360
   99   3HG2  THR  11          1HG2      THR  11 -10.247  -0.203  -0.203
  100    H    PHE  12           H        PHE  12  -5.833   0.215   0.215
  101    HA   PHE  12           HA       PHE  12  -4.742   0.616   0.616
  102   1HB   PHE  12          2HB       PHE  12  -4.240   1.756   1.756
  103   2HB   PHE  12          1HB       PHE  12  -3.376   2.316   2.316
  104    HD1  PHE  12          1HD       PHE  12  -4.180  -0.757  -0.757
  105    HD2  PHE  12          2HD       PHE  12  -1.593   1.071   1.071
  106    HE1  PHE  12          1HE       PHE  12  -2.632  -2.683  -2.683
  107    HE2  PHE  12          2HE       PHE  12  -0.059  -0.872  -0.872
  108   1HZ   PHE  12           HZ       PHE  12  -0.580  -2.746  -2.746
  109    H    ARG  13           H        ARG  13  -4.887   2.606   2.606
  110    HA   ARG  13           HA       ARG  13  -7.452   3.975   3.975
  111   1HB   ARG  13          2HB       ARG  13  -4.948   4.211   4.211
  112   2HB   ARG  13          1HB       ARG  13  -6.293   5.336   5.336
  113   1HG   ARG  13          2HG       ARG  13  -7.745   3.675   3.675
  114   2HG   ARG  13          1HG       ARG  13  -6.823   2.378   2.378
  115   1HD   ARG  13          2HD       ARG  13  -5.478   2.129   2.129
  116   2HD   ARG  13          1HD       ARG  13  -5.274   3.882   3.882
  117    HE   ARG  13           HE       ARG  13  -7.308   2.252   2.252
  118   1HH1  ARG  13          1HH2      ARG  13  -6.536   5.437   5.437
  119   2HH1  ARG  13          2HH2      ARG  13  -7.657   6.223   6.223
  120   1HH2  ARG  13          1HH1      ARG  13  -8.745   3.312   3.312
  121   2HH2  ARG  13          2HH1      ARG  13  -8.895   5.037   5.037
  122    H    ASN  14           H        ASN  14  -4.049   4.996   4.996
  123    HA   ASN  14           HA       ASN  14  -5.043   7.276   7.276
  124   1HB   ASN  14          2HB       ASN  14  -3.180   8.577   8.577
  125   2HB   ASN  14          1HB       ASN  14  -4.250   7.970   7.970
  126   1HD2  ASN  14          2HD2      ASN  14  -1.767   5.926   5.926
  127   2HD2  ASN  14          1HD2      ASN  14  -3.392   6.417   6.417
  128    H    GLU  15           H        GLU  15  -3.112   8.121   8.121
  129    HA   GLU  15           HA       GLU  15  -2.148   5.910   5.910
  130   1HB   GLU  15          2HB       GLU  15  -2.859   8.144   8.144
  131   2HB   GLU  15          1HB       GLU  15  -1.486   8.867   8.867
  132   1HG   GLU  15          2HG       GLU  15  -0.170   6.979   6.979
  133   2HG   GLU  15          1HG       GLU  15  -1.535   7.218   7.218
  134    H    LYS  16           H        LYS  16  -0.690   8.174   8.174
  135    HA   LYS  16           HA       LYS  16   2.041   7.673   7.673
  136   1HB   LYS  16          2HB       LYS  16   0.803   9.275   9.275
  137   2HB   LYS  16          1HB       LYS  16   0.707   7.920   7.920
  138   1HG   LYS  16          2HG       LYS  16   3.311   7.752   7.752
  139   2HG   LYS  16          1HG       LYS  16   3.098   9.467   9.467
  140   1HD   LYS  16          2HD       LYS  16   2.091   9.808   9.808
  141   2HD   LYS  16          1HD       LYS  16   2.309   8.095   8.095
  142   1HE   LYS  16          2HE       LYS  16   4.199   9.173   9.173
  143   2HE   LYS  16          1HE       LYS  16   4.819   8.505   8.505
  144   1HZ   LYS  16          3HZ       LYS  16   3.668  11.230  11.230
  145   2HZ   LYS  16          2HZ       LYS  16   5.331  10.919  10.919
  146   3HZ   LYS  16          1HZ       LYS  16   4.536  10.577  10.577
  147    H    GLU  17           H        GLU  17  -0.281   5.795   5.795
  148    HA   GLU  17           HA       GLU  17   1.705   3.851   3.851
  149   1HB   GLU  17          2HB       GLU  17  -0.963   4.565   4.565
  150   2HB   GLU  17          1HB       GLU  17  -1.069   2.925   2.925
  151   1HG   GLU  17          2HG       GLU  17   0.929   3.695   3.695
  152   2HG   GLU  17          1HG       GLU  17  -0.697   3.129   3.129
  153    H    LEU  18           H        LEU  18  -0.787   3.949   3.949
  154    HA   LEU  18           HA       LEU  18  -0.347   1.339   1.339
  155   1HB   LEU  18          2HB       LEU  18  -2.246   2.805   2.805
  156   2HB   LEU  18          1HB       LEU  18  -1.145   3.969   3.969
  157    HG   LEU  18           HG       LEU  18  -0.457   2.251   2.251
  158   1HD1  LEU  18          1HD1      LEU  18  -0.924   0.265   0.265
  159   2HD1  LEU  18          3HD1      LEU  18  -2.652   0.591   0.591
  160   3HD1  LEU  18          2HD1      LEU  18  -1.720   0.146   0.146
  161   1HD2  LEU  18          3HD2      LEU  18  -2.395   3.831   3.831
  162   2HD2  LEU  18          2HD2      LEU  18  -2.468   2.342   2.342
  163   3HD2  LEU  18          1HD2      LEU  18  -3.473   2.526   2.526
  164    H    ARG  19           H        ARG  19   1.427   4.354   4.354
  165    HA   ARG  19           HA       ARG  19   3.214   3.410   3.410
  166   1HB   ARG  19          2HB       ARG  19   2.889   5.882   5.882
  167   2HB   ARG  19          1HB       ARG  19   4.312   5.663   5.663
  168   1HG   ARG  19          2HG       ARG  19   1.619   5.223   5.223
  169   2HG   ARG  19          1HG       ARG  19   2.143   6.882   6.882
  170   1HD   ARG  19          2HD       ARG  19   4.044   4.970   4.970
  171   2HD   ARG  19          1HD       ARG  19   2.760   5.737   5.737
  172    HE   ARG  19           HE       ARG  19   4.184   7.621   7.621
  173   1HH1  ARG  19          1HH2      ARG  19   4.174   6.018   6.018
  174   2HH1  ARG  19          2HH2      ARG  19   5.127   7.251   7.251
  175   1HH2  ARG  19          1HH1      ARG  19   5.417   9.189   9.189
  176   2HH2  ARG  19          2HH1      ARG  19   5.826   9.025   9.025
  177    H    ASP  20           H        ASP  20   3.117   3.706   3.706
  178    HA   ASP  20           HA       ASP  20   5.979   3.003   3.003
  179   1HB   ASP  20          2HB       ASP  20   4.426   4.596   4.596
  180   2HB   ASP  20          1HB       ASP  20   3.956   3.096   3.096
  181    H    PHE  21           H        PHE  21   3.428   1.188   1.188
  182    HA   PHE  21           HA       PHE  21   3.785  -1.079  -1.079
  183   1HB   PHE  21          2HB       PHE  21   1.565  -0.430  -0.430
  184   2HB   PHE  21          1HB       PHE  21   2.161  -0.692  -0.692
  185    HD1  PHE  21          2HD       PHE  21   1.403  -2.367  -2.367
  186    HD2  PHE  21          1HD       PHE  21   2.376  -2.878  -2.878
  187    HE1  PHE  21          2HE       PHE  21   0.947  -4.788  -4.788
  188    HE2  PHE  21          1HE       PHE  21   1.912  -5.305  -5.305
  189   1HZ   PHE  21           HZ       PHE  21   1.190  -6.263  -6.263
  190    H    ILE  22           H        ILE  22   4.151  -0.432  -0.432
  191    HA   ILE  22           HA       ILE  22   5.512  -2.853  -2.853
  192    HB   ILE  22           HB       ILE  22   5.650  -0.127  -0.127
  193   1HG1  ILE  22          2HG1      ILE  22   3.937  -2.555  -2.555
  194   2HG1  ILE  22          1HG1      ILE  22   3.366  -1.104  -1.104
  195   1HG2  ILE  22          2HG2      ILE  22   7.497  -1.691  -1.691
  196   2HG2  ILE  22          1HG2      ILE  22   6.272  -2.848  -2.848
  197   3HG2  ILE  22          3HG2      ILE  22   6.417  -1.292  -1.292
  198   1HD1  ILE  22          1HD1      ILE  22   4.406   0.077   0.077
  199   2HD1  ILE  22          3HD1      ILE  22   4.079  -1.504  -1.504
  200   3HD1  ILE  22          2HD1      ILE  22   2.763  -0.568  -0.568
  201    H    GLU  23           H        GLU  23   6.612   0.227   0.227
  202    HA   GLU  23           HA       GLU  23   9.430  -0.156  -0.156
  203   1HB   GLU  23          2HB       GLU  23   7.988   1.908   1.908
  204   2HB   GLU  23          1HB       GLU  23   8.135   1.270   1.270
  205   1HG   GLU  23          2HG       GLU  23  10.673   1.380   1.380
  206   2HG   GLU  23          1HG       GLU  23   9.956   2.951   2.951
  207    H    LYS  24           H        LYS  24   7.126  -1.011  -1.011
  208    HA   LYS  24           HA       LYS  24   9.211  -2.464  -2.464
  209   1HB   LYS  24          2HB       LYS  24   7.455  -0.891  -0.891
  210   2HB   LYS  24          1HB       LYS  24   6.247  -2.104  -2.104
  211   1HG   LYS  24          2HG       LYS  24   8.070  -3.655  -3.655
  212   2HG   LYS  24          1HG       LYS  24   8.273  -2.129  -2.129
  213   1HD   LYS  24          2HD       LYS  24   6.004  -2.070  -2.070
  214   2HD   LYS  24          1HD       LYS  24   5.534  -3.284  -3.284
  215   1HE   LYS  24          2HE       LYS  24   5.602  -4.487  -4.487
  216   2HE   LYS  24          1HE       LYS  24   7.163  -4.861  -4.861
  217   1HZ   LYS  24          1HZ       LYS  24   6.712  -2.589  -2.589
  218   2HZ   LYS  24          3HZ       LYS  24   7.362  -4.082  -4.082
  219   3HZ   LYS  24          2HZ       LYS  24   8.200  -3.107  -3.107
  220    H    PHE  25           H        PHE  25   7.720  -3.236  -3.236
  221    HA   PHE  25           HA       PHE  25   6.603  -5.891  -5.891
  222   1HB   PHE  25          2HB       PHE  25   5.255  -4.408  -4.408
  223   2HB   PHE  25          1HB       PHE  25   6.608  -4.100  -4.100
  224    HD1  PHE  25          1HD       PHE  25   5.559  -7.432  -7.432
  225    HD2  PHE  25          2HD       PHE  25   5.703  -4.736  -4.736
  226    HE1  PHE  25          1HE       PHE  25   4.821  -9.262  -9.262
  227    HE2  PHE  25          2HE       PHE  25   4.966  -6.578  -6.578
  228   1HZ   PHE  25           HZ       PHE  25   4.524  -8.839  -8.839
  229    H    LYS  26           H        LYS  26   9.598  -4.684  -4.684
  230    HA   LYS  26           HA       LYS  26  11.594  -5.668  -5.668
  231   1HB   LYS  26          2HB       LYS  26  10.090  -7.691  -7.691
  232   2HB   LYS  26          1HB       LYS  26  10.417  -8.334  -8.334
  233   1HG   LYS  26          2HG       LYS  26  12.492  -8.889  -8.889
  234   2HG   LYS  26          1HG       LYS  26  12.850  -7.176  -7.176
  235   1HD   LYS  26          2HD       LYS  26  13.115  -7.643  -7.643
  236   2HD   LYS  26          1HD       LYS  26  11.358  -7.773  -7.773
  237   1HE   LYS  26          2HE       LYS  26  12.820 -10.192 -10.192
  238   2HE   LYS  26          1HE       LYS  26  12.962  -9.798  -9.798
  239   1HZ   LYS  26          1HZ       LYS  26  10.405  -9.918  -9.918
  240   2HZ   LYS  26          3HZ       LYS  26  10.974 -11.142 -11.142
  241   3HZ   LYS  26          2HZ       LYS  26  10.579  -9.619  -9.619
  242    H    GLY  27           H        GLY  27   9.457  -4.595  -4.595
  243   1HA   GLY  27          2HA       GLY  27  10.316  -5.942  -5.942
  244   2HA   GLY  27          1HA       GLY  27   8.645  -5.427  -5.427
  245    H    ARG  28           H        ARG  28   9.136  -2.962  -2.962
  246    HA   ARG  28           HA       ARG  28   9.502  -0.700  -0.700
  247   1HB   ARG  28          2HB       ARG  28  11.888  -2.143  -2.143
  248   2HB   ARG  28          1HB       ARG  28  11.852  -1.193  -1.193
  249   1HG   ARG  28          2HG       ARG  28  11.546   0.864   0.864
  250   2HG   ARG  28          1HG       ARG  28  11.434  -0.048  -0.048
  251   1HD   ARG  28          2HD       ARG  28  13.874  -0.257  -0.257
  252   2HD   ARG  28          1HD       ARG  28  13.733   0.998   0.998
  253    HE   ARG  28           HE       ARG  28  14.082  -1.861  -1.861
  254   1HH1  ARG  28          1HH2      ARG  28  12.812   1.139   1.139
  255   2HH1  ARG  28          2HH2      ARG  28  12.909   0.598   0.598
  256   1HH2  ARG  28          1HH1      ARG  28  14.190  -2.518  -2.518
  257   2HH2  ARG  28          2HH1      ARG  28  13.679  -1.446  -1.446

  Start of MODEL   13
    1   1H    GLN   1          3HT       GLN   1  -7.203   8.924   8.924
    2   2H    GLN   1          2HT       GLN   1  -7.282  10.619  10.619
    3   3H    GLN   1          1HT       GLN   1  -6.735   9.730   9.730
    4    HA   GLN   1           HA       GLN   1  -8.996  10.448  10.448
    5   1HB   GLN   1          2HB       GLN   1  -9.204   9.328   9.328
    6   2HB   GLN   1          1HB       GLN   1 -10.639   9.341   9.341
    7   1HG   GLN   1          2HG       GLN   1 -10.615  11.697  11.697
    8   2HG   GLN   1          1HG       GLN   1  -8.947  11.813  11.813
    9   1HE2  GLN   1          2HE2      GLN   1 -10.086  12.428  12.428
   10   2HE2  GLN   1          1HE2      GLN   1  -9.013  12.827  12.827
   11    H    GLN   2           H        GLN   2  -8.951   7.340   7.340
   12    HA   GLN   2           HA       GLN   2  -8.548   5.660   5.660
   13   1HB   GLN   2          2HB       GLN   2 -10.995   6.893   6.893
   14   2HB   GLN   2          1HB       GLN   2 -11.401   5.430   5.430
   15   1HG   GLN   2          2HG       GLN   2 -10.719   4.016   4.016
   16   2HG   GLN   2          1HG       GLN   2  -9.764   5.282   5.282
   17   1HE2  GLN   2          2HE2      GLN   2 -13.559   4.795   4.795
   18   2HE2  GLN   2          1HE2      GLN   2 -12.694   3.648   3.648
   19    H    TYR   3           H        TYR   3  -7.384   4.359   4.359
   20    HA   TYR   3           HA       TYR   3  -8.560   3.472   3.472
   21   1HB   TYR   3          2HB       TYR   3  -5.807   2.852   2.852
   22   2HB   TYR   3          1HB       TYR   3  -6.307   2.860   2.860
   23    HD1  TYR   3          2HD       TYR   3  -8.001   5.569   5.569
   24    HD2  TYR   3          1HD       TYR   3  -3.927   4.335   4.335
   25    HE1  TYR   3          2HE       TYR   3  -7.292   7.912   7.912
   26    HE2  TYR   3          1HE       TYR   3  -3.210   6.691   6.691
   27    HH   TYR   3           HH       TYR   3  -5.219   9.172   9.172
   28    H    THR   4           H        THR   4  -9.792   1.670   1.670
   29    HA   THR   4           HA       THR   4  -9.366  -0.397  -0.397
   30    HB   THR   4           HB       THR   4 -11.395  -0.223  -0.223
   31    HG1  THR   4          1HG       THR   4 -11.592   0.711   0.711
   32   1HG2  THR   4          3HG2      THR   4 -11.313  -1.700  -1.700
   33   2HG2  THR   4          2HG2      THR   4 -12.755  -1.567  -1.567
   34   3HG2  THR   4          1HG2      THR   4 -11.329  -2.410  -2.410
   35    H    ALA   5           H        ALA   5  -8.241   0.203   0.203
   36    HA   ALA   5           HA       ALA   5  -8.312  -2.320  -2.320
   37   1HB   ALA   5          2HB       ALA   5  -7.440   0.143   0.143
   38   2HB   ALA   5          1HB       ALA   5  -5.888  -0.604  -0.604
   39   3HB   ALA   5          3HB       ALA   5  -6.908  -1.287  -1.287
   40    H    LYS   6           H        LYS   6  -7.855  -3.986  -3.986
   41    HA   LYS   6           HA       LYS   6  -5.499  -4.016  -4.016
   42   1HB   LYS   6          2HB       LYS   6  -6.130  -6.429  -6.429
   43   2HB   LYS   6          1HB       LYS   6  -7.495  -5.340  -5.340
   44   1HG   LYS   6          2HG       LYS   6  -7.337  -5.956  -5.956
   45   2HG   LYS   6          1HG       LYS   6  -7.230  -7.473  -7.473
   46   1HD   LYS   6          2HD       LYS   6  -9.225  -6.272  -6.272
   47   2HD   LYS   6          1HD       LYS   6  -9.487  -5.551  -5.551
   48   1HE   LYS   6          2HE       LYS   6  -8.985  -8.487  -8.487
   49   2HE   LYS   6          1HE       LYS   6 -10.545  -7.943  -7.943
   50   1HZ   LYS   6          2HZ       LYS   6  -9.388  -7.062  -7.062
   51   2HZ   LYS   6          1HZ       LYS   6 -10.600  -8.242  -8.242
   52   3HZ   LYS   6          3HZ       LYS   6 -10.911  -6.639  -6.639
   53    H    ILE   7           H        ILE   7  -3.698  -3.530  -3.530
   54    HA   ILE   7           HA       ILE   7  -3.055  -4.799  -4.799
   55    HB   ILE   7           HB       ILE   7  -1.348  -3.672  -3.672
   56   1HG1  ILE   7          2HG1      ILE   7  -2.254  -2.446  -2.446
   57   2HG1  ILE   7          1HG1      ILE   7  -3.050  -2.167  -2.167
   58   1HG2  ILE   7          3HG2      ILE   7  -0.040  -5.141  -5.141
   59   2HG2  ILE   7          2HG2      ILE   7  -0.599  -4.158  -4.158
   60   3HG2  ILE   7          1HG2      ILE   7   0.432  -3.445  -3.445
   61   1HD1  ILE   7          2HD1      ILE   7  -0.666  -1.507  -1.507
   62   2HD1  ILE   7          1HD1      ILE   7  -0.300  -1.323  -1.323
   63   3HD1  ILE   7          3HD1      ILE   7  -1.572  -0.352  -0.352
   64    H    LYS   8           H        LYS   8  -1.049  -5.500  -5.500
   65    HA   LYS   8           HA       LYS   8  -0.688  -8.250  -8.250
   66   1HB   LYS   8          2HB       LYS   8   1.084  -6.713  -6.713
   67   2HB   LYS   8          1HB       LYS   8   0.272  -6.849  -6.849
   68   1HG   LYS   8          2HG       LYS   8   1.984  -8.503  -8.503
   69   2HG   LYS   8          1HG       LYS   8   0.492  -9.388  -9.388
   70   1HD   LYS   8          2HD       LYS   8   1.182  -8.869  -8.869
   71   2HD   LYS   8          1HD       LYS   8   2.793  -8.815  -8.815
   72   1HE   LYS   8          2HE       LYS   8   1.104 -11.099 -11.099
   73   2HE   LYS   8          1HE       LYS   8   1.635 -11.130 -11.130
   74   1HZ   LYS   8          3HZ       LYS   8   3.893 -10.617 -10.617
   75   2HZ   LYS   8          2HZ       LYS   8   3.365 -10.712 -10.712
   76   3HZ   LYS   8          1HZ       LYS   8   3.338 -12.093 -12.093
   77    H    GLY   9           H        GLY   9  -2.465  -6.496  -6.496
   78   1HA   GLY   9          2HA       GLY   9  -4.532  -8.125  -8.125
   79   2HA   GLY   9          1HA       GLY   9  -3.241  -8.953  -8.953
   80    H    ARG  10           H        ARG  10  -3.859  -5.472  -5.472
   81    HA   ARG  10           HA       ARG  10  -4.690  -5.071  -5.071
   82   1HB   ARG  10          2HB       ARG  10  -2.588  -3.500  -3.500
   83   2HB   ARG  10          1HB       ARG  10  -2.444  -5.233  -5.233
   84   1HG   ARG  10          2HG       ARG  10  -1.612  -5.441  -5.441
   85   2HG   ARG  10          1HG       ARG  10  -1.497  -3.684  -3.684
   86   1HD   ARG  10          2HD       ARG  10   0.636  -4.185  -4.185
   87   2HD   ARG  10          1HD       ARG  10  -0.201  -4.215  -4.215
   88    HE   ARG  10           HE       ARG  10  -0.462  -6.776  -6.776
   89   1HH1  ARG  10          1HH2      ARG  10   1.900  -4.768  -4.768
   90   2HH1  ARG  10          2HH2      ARG  10   2.806  -6.126  -6.126
   91   1HH2  ARG  10          1HH1      ARG  10   0.740  -8.499  -8.499
   92   2HH2  ARG  10          2HH1      ARG  10   2.159  -8.217  -8.217
   93    H    THR  11           H        THR  11  -6.379  -3.772  -3.772
   94    HA   THR  11           HA       THR  11  -6.156  -1.725  -1.725
   95    HB   THR  11           HB       THR  11  -8.236  -0.916  -0.916
   96    HG1  THR  11          1HG       THR  11  -7.817  -1.346  -1.346
   97   1HG2  THR  11          2HG2      THR  11  -7.893  -3.183  -3.183
   98   2HG2  THR  11          1HG2      THR  11  -8.629  -3.836  -3.836
   99   3HG2  THR  11          3HG2      THR  11  -9.462  -2.586  -2.586
  100    H    PHE  12           H        PHE  12  -5.527   0.461   0.461
  101    HA   PHE  12           HA       PHE  12  -4.114   1.051   1.051
  102   1HB   PHE  12          2HB       PHE  12  -3.836   2.337   2.337
  103   2HB   PHE  12          1HB       PHE  12  -2.701   2.430   2.430
  104    HD1  PHE  12          1HD       PHE  12  -4.112   0.256   0.256
  105    HD2  PHE  12          2HD       PHE  12  -1.257   0.516   0.516
  106    HE1  PHE  12          1HE       PHE  12  -3.002  -1.792  -1.792
  107    HE2  PHE  12          2HE       PHE  12  -0.145  -1.504  -1.504
  108   1HZ   PHE  12           HZ       PHE  12  -1.010  -2.680  -2.680
  109    H    ARG  13           H        ARG  13  -5.460   2.255   2.255
  110    HA   ARG  13           HA       ARG  13  -7.690   3.824   3.824
  111   1HB   ARG  13          2HB       ARG  13  -5.615   4.077   4.077
  112   2HB   ARG  13          1HB       ARG  13  -7.117   5.002   5.002
  113   1HG   ARG  13          2HG       ARG  13  -8.409   3.173   3.173
  114   2HG   ARG  13          1HG       ARG  13  -7.377   2.074   2.074
  115   1HD   ARG  13          2HD       ARG  13  -5.624   2.460   2.460
  116   2HD   ARG  13          1HD       ARG  13  -6.985   3.097   3.097
  117    HE   ARG  13           HE       ARG  13  -7.608   0.559   0.559
  118   1HH1  ARG  13          1HH2      ARG  13  -6.154   2.048   2.048
  119   2HH1  ARG  13          2HH2      ARG  13  -6.414   0.658   0.658
  120   1HH2  ARG  13          1HH1      ARG  13  -7.925  -1.215  -1.215
  121   2HH2  ARG  13          2HH1      ARG  13  -7.405  -1.170  -1.170
  122    H    ASN  14           H        ASN  14  -4.287   4.606   4.606
  123    HA   ASN  14           HA       ASN  14  -5.003   7.138   7.138
  124   1HB   ASN  14          2HB       ASN  14  -3.305   8.332   8.332
  125   2HB   ASN  14          1HB       ASN  14  -4.577   7.663   7.663
  126   1HD2  ASN  14          2HD2      ASN  14  -2.370   5.573   5.573
  127   2HD2  ASN  14          1HD2      ASN  14  -3.945   6.184   6.184
  128    H    GLU  15           H        GLU  15  -3.034   8.009   8.009
  129    HA   GLU  15           HA       GLU  15  -1.772   5.951   5.951
  130   1HB   GLU  15          2HB       GLU  15  -2.337   8.340   8.340
  131   2HB   GLU  15          1HB       GLU  15  -0.938   8.832   8.832
  132   1HG   GLU  15          2HG       GLU  15   0.543   7.483   7.483
  133   2HG   GLU  15          1HG       GLU  15  -0.841   6.894   6.894
  134    H    LYS  16           H        LYS  16  -0.692   7.907   7.907
  135    HA   LYS  16           HA       LYS  16   2.054   7.446   7.446
  136   1HB   LYS  16          2HB       LYS  16   0.249   8.568   8.568
  137   2HB   LYS  16          1HB       LYS  16   0.521   7.075   7.075
  138   1HG   LYS  16          2HG       LYS  16   2.840   8.724   8.724
  139   2HG   LYS  16          1HG       LYS  16   2.047   9.108   9.108
  140   1HD   LYS  16          2HD       LYS  16   2.530   6.907   6.907
  141   2HD   LYS  16          1HD       LYS  16   3.138   6.364   6.364
  142   1HE   LYS  16          2HE       LYS  16   5.195   7.231   7.231
  143   2HE   LYS  16          1HE       LYS  16   4.505   8.792   8.792
  144   1HZ   LYS  16          1HZ       LYS  16   4.417   6.356   6.356
  145   2HZ   LYS  16          3HZ       LYS  16   5.622   7.542   7.542
  146   3HZ   LYS  16          2HZ       LYS  16   4.001   7.941   7.941
  147    H    GLU  17           H        GLU  17  -0.507   5.236   5.236
  148    HA   GLU  17           HA       GLU  17   1.357   3.134   3.134
  149   1HB   GLU  17          2HB       GLU  17  -1.575   3.570   3.570
  150   2HB   GLU  17          1HB       GLU  17  -1.044   1.895   1.895
  151   1HG   GLU  17          2HG       GLU  17   0.242   2.185   2.185
  152   2HG   GLU  17          1HG       GLU  17  -0.573   3.739   3.739
  153    H    LEU  18           H        LEU  18  -0.621   3.890   3.890
  154    HA   LEU  18           HA       LEU  18  -0.026   1.601   1.601
  155   1HB   LEU  18          2HB       LEU  18  -1.730   3.499   3.499
  156   2HB   LEU  18          1HB       LEU  18  -0.391   4.469   4.469
  157    HG   LEU  18           HG       LEU  18   0.040   2.477   2.477
  158   1HD1  LEU  18          2HD1      LEU  18  -2.701   1.884   1.884
  159   2HD1  LEU  18          1HD1      LEU  18  -2.250   1.385   1.385
  160   3HD1  LEU  18          3HD1      LEU  18  -1.349   0.777   0.777
  161   1HD2  LEU  18          1HD2      LEU  18  -0.899   4.743   4.743
  162   2HD2  LEU  18          3HD2      LEU  18  -1.459   3.431   3.431
  163   3HD2  LEU  18          2HD2      LEU  18  -2.512   4.065   4.065
  164    H    ARG  19           H        ARG  19   1.868   4.373   4.373
  165    HA   ARG  19           HA       ARG  19   3.981   3.796   3.796
  166   1HB   ARG  19          2HB       ARG  19   3.089   6.094   6.094
  167   2HB   ARG  19          1HB       ARG  19   3.502   6.094   6.094
  168   1HG   ARG  19          2HG       ARG  19   5.901   5.723   5.723
  169   2HG   ARG  19          1HG       ARG  19   5.435   5.890   5.890
  170   1HD   ARG  19          2HD       ARG  19   5.164   8.164   8.164
  171   2HD   ARG  19          1HD       ARG  19   4.529   8.068   8.068
  172    HE   ARG  19           HE       ARG  19   6.738   8.259   8.259
  173   1HH1  ARG  19          1HH2      ARG  19   6.769   7.242   7.242
  174   2HH1  ARG  19          2HH2      ARG  19   8.490   7.347   7.347
  175   1HH2  ARG  19          1HH1      ARG  19   8.966   8.382   8.382
  176   2HH2  ARG  19          2HH1      ARG  19   9.723   7.983   7.983
  177    H    ASP  20           H        ASP  20   3.208   3.484   3.484
  178    HA   ASP  20           HA       ASP  20   6.067   3.033   3.033
  179   1HB   ASP  20          2HB       ASP  20   4.434   4.497   4.497
  180   2HB   ASP  20          1HB       ASP  20   3.613   3.007   3.007
  181    H    PHE  21           H        PHE  21   3.467   1.172   1.172
  182    HA   PHE  21           HA       PHE  21   3.945  -1.194  -1.194
  183   1HB   PHE  21          2HB       PHE  21   1.724  -0.924  -0.924
  184   2HB   PHE  21          1HB       PHE  21   2.277  -0.470  -0.470
  185    HD1  PHE  21          2HD       PHE  21   3.674  -3.343  -3.343
  186    HD2  PHE  21          1HD       PHE  21   0.980  -2.083  -2.083
  187    HE1  PHE  21          2HE       PHE  21   3.500  -5.668  -5.668
  188    HE2  PHE  21          1HE       PHE  21   0.796  -4.435  -4.435
  189   1HZ   PHE  21           HZ       PHE  21   2.057  -6.230  -6.230
  190    H    ILE  22           H        ILE  22   4.483  -0.285  -0.285
  191    HA   ILE  22           HA       ILE  22   5.981  -2.554  -2.554
  192    HB   ILE  22           HB       ILE  22   5.926   0.314   0.314
  193   1HG1  ILE  22          2HG1      ILE  22   5.069  -1.187  -1.187
  194   2HG1  ILE  22          1HG1      ILE  22   4.664  -2.272  -2.272
  195   1HG2  ILE  22          1HG2      ILE  22   7.784  -1.863  -1.863
  196   2HG2  ILE  22          3HG2      ILE  22   7.070  -0.873  -0.873
  197   3HG2  ILE  22          2HG2      ILE  22   8.031  -0.116  -0.116
  198   1HD1  ILE  22          2HD1      ILE  22   3.945   0.603   0.603
  199   2HD1  ILE  22          1HD1      ILE  22   2.987  -0.352  -0.352
  200   3HD1  ILE  22          3HD1      ILE  22   3.096  -0.838  -0.838
  201    H    GLU  23           H        GLU  23   6.921   0.370   0.370
  202    HA   GLU  23           HA       GLU  23   9.761  -0.002  -0.002
  203   1HB   GLU  23          2HB       GLU  23   8.560   2.087   2.087
  204   2HB   GLU  23          1HB       GLU  23   7.974   1.277   1.277
  205   1HG   GLU  23          2HG       GLU  23  10.533   0.779   0.779
  206   2HG   GLU  23          1HG       GLU  23  10.760   2.159   2.159
  207    H    LYS  24           H        LYS  24   7.196  -1.072  -1.072
  208    HA   LYS  24           HA       LYS  24   9.125  -2.717  -2.717
  209   1HB   LYS  24          2HB       LYS  24   7.286  -1.121  -1.121
  210   2HB   LYS  24          1HB       LYS  24   6.158  -2.396  -2.396
  211   1HG   LYS  24          2HG       LYS  24   6.745  -3.685  -3.685
  212   2HG   LYS  24          1HG       LYS  24   8.466  -3.436  -3.436
  213   1HD   LYS  24          2HD       LYS  24   7.923  -2.488  -2.488
  214   2HD   LYS  24          1HD       LYS  24   8.245  -1.160  -1.160
  215   1HE   LYS  24          2HE       LYS  24   5.651  -1.236  -1.236
  216   2HE   LYS  24          1HE       LYS  24   5.612  -2.067  -2.067
  217   1HZ   LYS  24          3HZ       LYS  24   7.072  -0.256  -0.256
  218   2HZ   LYS  24          2HZ       LYS  24   6.818   0.578   0.578
  219   3HZ   LYS  24          1HZ       LYS  24   5.511   0.259   0.259
  220    H    PHE  25           H        PHE  25   7.992  -3.235  -3.235
  221    HA   PHE  25           HA       PHE  25   6.641  -5.869  -5.869
  222   1HB   PHE  25          2HB       PHE  25   5.472  -4.213  -4.213
  223   2HB   PHE  25          1HB       PHE  25   6.922  -3.871  -3.871
  224    HD1  PHE  25          2HD       PHE  25   5.678  -7.268  -7.268
  225    HD2  PHE  25          1HD       PHE  25   6.132  -4.271  -4.271
  226    HE1  PHE  25          2HE       PHE  25   4.998  -8.919  -8.919
  227    HE2  PHE  25          1HE       PHE  25   5.450  -5.930  -5.930
  228   1HZ   PHE  25           HZ       PHE  25   4.883  -8.253  -8.253
  229    H    LYS  26           H        LYS  26   9.732  -4.727  -4.727
  230    HA   LYS  26           HA       LYS  26  11.754  -5.739  -5.739
  231   1HB   LYS  26          2HB       LYS  26  10.159  -7.770  -7.770
  232   2HB   LYS  26          1HB       LYS  26  10.395  -8.256  -8.256
  233   1HG   LYS  26          2HG       LYS  26  12.933  -7.624  -7.624
  234   2HG   LYS  26          1HG       LYS  26  12.387  -8.047  -8.047
  235   1HD   LYS  26          2HD       LYS  26  11.585 -10.224 -10.224
  236   2HD   LYS  26          1HD       LYS  26  12.106  -9.804  -9.804
  237   1HE   LYS  26          2HE       LYS  26  14.064 -10.832 -10.832
  238   2HE   LYS  26          1HE       LYS  26  14.397  -9.345  -9.345
  239   1HZ   LYS  26          1HZ       LYS  26  13.079 -10.325 -10.325
  240   2HZ   LYS  26          3HZ       LYS  26  13.037 -11.789 -11.789
  241   3HZ   LYS  26          2HZ       LYS  26  14.523 -11.158 -11.158
  242    H    GLY  27           H        GLY  27   9.988  -4.304  -4.304
  243   1HA   GLY  27          2HA       GLY  27  11.063  -5.410  -5.410
  244   2HA   GLY  27          1HA       GLY  27   9.368  -4.932  -4.932
  245    H    ARG  28           H        ARG  28   9.549  -2.620  -2.620
  246    HA   ARG  28           HA       ARG  28   9.888  -0.304  -0.304
  247   1HB   ARG  28          2HB       ARG  28  12.170  -1.308  -1.308
  248   2HB   ARG  28          1HB       ARG  28  12.599  -1.144  -1.144
  249   1HG   ARG  28          2HG       ARG  28  13.142   1.008   1.008
  250   2HG   ARG  28          1HG       ARG  28  11.451   1.337   1.337
  251   1HD   ARG  28          2HD       ARG  28  12.724   2.036   2.036
  252   2HD   ARG  28          1HD       ARG  28  11.957   0.501   0.501
  253    HE   ARG  28           HE       ARG  28  14.467  -0.076  -0.076
  254   1HH1  ARG  28          1HH2      ARG  28  13.185   1.333   1.333
  255   2HH1  ARG  28          2HH2      ARG  28  14.564   0.880   0.880
  256   1HH2  ARG  28          1HH1      ARG  28  16.228  -0.643  -0.643
  257   2HH2  ARG  28          2HH1      ARG  28  16.271  -0.224  -0.224

  Start of MODEL   14
    1   1H    GLN   1          2HT       GLN   1 -13.097   2.428   2.428
    2   2H    GLN   1          1HT       GLN   1 -13.004   2.525   2.525
    3   3H    GLN   1          3HT       GLN   1 -14.450   2.040   2.040
    4    HA   GLN   1           HA       GLN   1 -14.862   4.202   4.202
    5   1HB   GLN   1          2HB       GLN   1 -14.092   3.752   3.752
    6   2HB   GLN   1          1HB       GLN   1 -14.389   5.425   5.425
    7   1HG   GLN   1          2HG       GLN   1 -16.562   4.554   4.554
    8   2HG   GLN   1          1HG       GLN   1 -16.286   3.080   3.080
    9   1HE2  GLN   1          2HE2      GLN   1 -16.761   4.761   4.761
   10   2HE2  GLN   1          1HE2      GLN   1 -15.802   3.559   3.559
   11    H    GLN   2           H        GLN   2 -11.772   4.199   4.199
   12    HA   GLN   2           HA       GLN   2 -10.903   6.659   6.659
   13   1HB   GLN   2          2HB       GLN   2 -10.404   5.282   5.282
   14   2HB   GLN   2          1HB       GLN   2  -8.914   5.804   5.804
   15   1HG   GLN   2          2HG       GLN   2  -9.422   7.756   7.756
   16   2HG   GLN   2          1HG       GLN   2 -10.344   8.037   8.037
   17   1HE2  GLN   2          2HE2      GLN   2 -13.371   8.220   8.220
   18   2HE2  GLN   2          1HE2      GLN   2 -12.455   8.676   8.676
   19    H    TYR   3           H        TYR   3  -8.730   4.003   4.003
   20    HA   TYR   3           HA       TYR   3  -7.856   3.855   3.855
   21   1HB   TYR   3          2HB       TYR   3  -6.487   3.909   3.909
   22   2HB   TYR   3          1HB       TYR   3  -5.733   2.963   2.963
   23    HD1  TYR   3          2HD       TYR   3  -7.572   6.204   6.204
   24    HD2  TYR   3          1HD       TYR   3  -4.113   4.127   4.127
   25    HE1  TYR   3          2HE       TYR   3  -6.793   8.292   8.292
   26    HE2  TYR   3          1HE       TYR   3  -3.299   6.232   6.232
   27    HH   TYR   3           HH       TYR   3  -4.637   8.477   8.477
   28    H    THR   4           H        THR   4  -9.163   2.168   2.168
   29    HA   THR   4           HA       THR   4  -9.389  -0.339  -0.339
   30    HB   THR   4           HB       THR   4 -10.033   0.296   0.296
   31    HG1  THR   4          1HG       THR   4 -12.106   0.831   0.831
   32   1HG2  THR   4          2HG2      THR   4 -10.925  -1.797  -1.797
   33   2HG2  THR   4          1HG2      THR   4 -11.913  -1.381  -1.381
   34   3HG2  THR   4          3HG2      THR   4 -10.288  -2.027  -2.027
   35    H    ALA   5           H        ALA   5  -6.887   0.963   0.963
   36    HA   ALA   5           HA       ALA   5  -5.912  -0.892  -0.892
   37   1HB   ALA   5          2HB       ALA   5  -5.000   1.344   1.344
   38   2HB   ALA   5          1HB       ALA   5  -3.938   0.115   0.115
   39   3HB   ALA   5          3HB       ALA   5  -4.003   0.345   0.345
   40    H    LYS   6           H        LYS   6  -6.366  -3.090  -3.090
   41    HA   LYS   6           HA       LYS   6  -5.221  -4.167  -4.167
   42   1HB   LYS   6          2HB       LYS   6  -6.362  -6.247  -6.247
   43   2HB   LYS   6          1HB       LYS   6  -7.459  -4.868  -4.868
   44   1HG   LYS   6          2HG       LYS   6  -6.156  -4.954  -4.954
   45   2HG   LYS   6          1HG       LYS   6  -6.808  -6.553  -6.553
   46   1HD   LYS   6          2HD       LYS   6  -8.416  -4.002  -4.002
   47   2HD   LYS   6          1HD       LYS   6  -8.424  -4.995  -4.995
   48   1HE   LYS   6          2HE       LYS   6  -8.987  -6.256  -6.256
   49   2HE   LYS   6          1HE       LYS   6 -10.279  -5.443  -5.443
   50   1HZ   LYS   6          1HZ       LYS   6  -9.624  -6.757  -6.757
   51   2HZ   LYS   6          3HZ       LYS   6  -8.508  -7.606  -7.606
   52   3HZ   LYS   6          2HZ       LYS   6 -10.170  -7.735  -7.735
   53    H    ILE   7           H        ILE   7  -3.030  -3.487  -3.487
   54    HA   ILE   7           HA       ILE   7  -1.696  -4.483  -4.483
   55    HB   ILE   7           HB       ILE   7  -0.851  -3.961  -3.961
   56   1HG1  ILE   7          2HG1      ILE   7  -0.539  -2.337  -2.337
   57   2HG1  ILE   7          1HG1      ILE   7  -1.810  -2.093  -2.093
   58   1HG2  ILE   7          1HG2      ILE   7   0.721  -5.294  -5.294
   59   2HG2  ILE   7          3HG2      ILE   7   1.306  -3.631  -3.631
   60   3HG2  ILE   7          2HG2      ILE   7   1.262  -4.579  -4.579
   61   1HD1  ILE   7          2HD1      ILE   7   1.157  -1.951  -1.951
   62   2HD1  ILE   7          1HD1      ILE   7   0.142  -0.544  -0.544
   63   3HD1  ILE   7          3HD1      ILE   7  -0.165  -1.557  -1.557
   64    H    LYS   8           H        LYS   8  -0.446  -6.040  -6.040
   65    HA   LYS   8           HA       LYS   8  -0.468  -8.621  -8.621
   66   1HB   LYS   8          2HB       LYS   8   1.252  -7.352  -7.352
   67   2HB   LYS   8          1HB       LYS   8   0.370  -8.285  -8.285
   68   1HG   LYS   8          2HG       LYS   8   1.328  -9.650  -9.650
   69   2HG   LYS   8          1HG       LYS   8   2.473  -9.338  -9.338
   70   1HD   LYS   8          2HD       LYS   8   0.438 -10.352 -10.352
   71   2HD   LYS   8          1HD       LYS   8   0.151 -11.194 -11.194
   72   1HE   LYS   8          2HE       LYS   8   2.704 -11.725 -11.725
   73   2HE   LYS   8          1HE       LYS   8   2.577 -11.323 -11.323
   74   1HZ   LYS   8          3HZ       LYS   8   0.646 -12.840 -12.840
   75   2HZ   LYS   8          2HZ       LYS   8   0.949 -13.315 -13.315
   76   3HZ   LYS   8          1HZ       LYS   8   2.089 -13.641 -13.641
   77    H    GLY   9           H        GLY   9  -2.234  -6.933  -6.933
   78   1HA   GLY   9          2HA       GLY   9  -4.574  -8.310  -8.310
   79   2HA   GLY   9          1HA       GLY   9  -3.528  -9.298  -9.298
   80    H    ARG  10           H        ARG  10  -3.709  -5.785  -5.785
   81    HA   ARG  10           HA       ARG  10  -4.515  -5.353  -5.353
   82   1HB   ARG  10          2HB       ARG  10  -1.963  -5.677  -5.677
   83   2HB   ARG  10          1HB       ARG  10  -2.033  -4.094  -4.094
   84   1HG   ARG  10          2HG       ARG  10  -2.133  -3.025  -3.025
   85   2HG   ARG  10          1HG       ARG  10  -3.420  -4.074  -4.074
   86   1HD   ARG  10          2HD       ARG  10  -0.744  -5.347  -5.347
   87   2HD   ARG  10          1HD       ARG  10  -0.904  -4.058  -4.058
   88    HE   ARG  10           HE       ARG  10  -3.190  -5.858  -5.858
   89   1HH1  ARG  10          1HH2      ARG  10   0.079  -5.414  -5.414
   90   2HH1  ARG  10          2HH2      ARG  10  -0.163  -6.446  -6.446
   91   1HH2  ARG  10          1HH1      ARG  10  -3.457  -7.182  -7.182
   92   2HH2  ARG  10          2HH1      ARG  10  -2.141  -7.435  -7.435
   93    H    THR  11           H        THR  11  -6.262  -3.977  -3.977
   94    HA   THR  11           HA       THR  11  -6.046  -1.918  -1.918
   95    HB   THR  11           HB       THR  11  -8.173  -3.122  -3.122
   96    HG1  THR  11          1HG       THR  11  -9.469  -1.312  -1.312
   97   1HG2  THR  11          3HG2      THR  11  -7.835  -2.069  -2.069
   98   2HG2  THR  11          2HG2      THR  11  -9.417  -2.523  -2.523
   99   3HG2  THR  11          1HG2      THR  11  -8.135  -3.727  -3.727
  100    H    PHE  12           H        PHE  12  -5.742   0.322   0.322
  101    HA   PHE  12           HA       PHE  12  -4.919   0.848   0.848
  102   1HB   PHE  12          2HB       PHE  12  -4.096   1.926   1.926
  103   2HB   PHE  12          1HB       PHE  12  -3.530   2.620   2.620
  104    HD1  PHE  12          1HD       PHE  12  -3.429  -0.384  -0.384
  105    HD2  PHE  12          2HD       PHE  12  -2.046   1.403   1.403
  106    HE1  PHE  12          1HE       PHE  12  -1.681  -2.138  -2.138
  107    HE2  PHE  12          2HE       PHE  12  -0.341  -0.368  -0.368
  108   1HZ   PHE  12           HZ       PHE  12  -0.178  -2.134  -2.134
  109    H    ARG  13           H        ARG  13  -4.966   3.355   3.355
  110    HA   ARG  13           HA       ARG  13  -7.750   4.299   4.299
  111   1HB   ARG  13          2HB       ARG  13  -6.518   3.924   3.924
  112   2HB   ARG  13          1HB       ARG  13  -5.852   5.520   5.520
  113   1HG   ARG  13          2HG       ARG  13  -8.607   5.716   5.716
  114   2HG   ARG  13          1HG       ARG  13  -8.514   4.810   4.810
  115   1HD   ARG  13          2HD       ARG  13  -8.326   6.860   6.860
  116   2HD   ARG  13          1HD       ARG  13  -6.654   6.836   6.836
  117    HE   ARG  13           HE       ARG  13  -8.055   7.692   7.692
  118   1HH1  ARG  13          1HH2      ARG  13  -7.976   8.752   8.752
  119   2HH1  ARG  13          2HH2      ARG  13  -8.366  10.386  10.386
  120   1HH2  ARG  13          1HH1      ARG  13  -8.558   9.816   9.816
  121   2HH2  ARG  13          2HH1      ARG  13  -8.693  10.985  10.985
  122    H    ASN  14           H        ASN  14  -4.349   5.070   5.070
  123    HA   ASN  14           HA       ASN  14  -5.101   7.347   7.347
  124   1HB   ASN  14          2HB       ASN  14  -3.417   8.757   8.757
  125   2HB   ASN  14          1HB       ASN  14  -4.628   8.214   8.214
  126   1HD2  ASN  14          2HD2      ASN  14  -2.297   6.426   6.426
  127   2HD2  ASN  14          1HD2      ASN  14  -3.911   6.914   6.914
  128    H    GLU  15           H        GLU  15  -3.025   8.065   8.065
  129    HA   GLU  15           HA       GLU  15  -1.877   5.733   5.733
  130   1HB   GLU  15          2HB       GLU  15  -2.432   8.021   8.021
  131   2HB   GLU  15          1HB       GLU  15  -0.973   8.611   8.611
  132   1HG   GLU  15          2HG       GLU  15  -0.767   6.152   6.152
  133   2HG   GLU  15          1HG       GLU  15  -0.894   7.713   7.713
  134    H    LYS  16           H        LYS  16  -0.623   8.165   8.165
  135    HA   LYS  16           HA       LYS  16   2.102   7.512   7.512
  136   1HB   LYS  16          2HB       LYS  16   0.877   9.355   9.355
  137   2HB   LYS  16          1HB       LYS  16   0.390   8.152   8.152
  138   1HG   LYS  16          2HG       LYS  16   3.285   8.237   8.237
  139   2HG   LYS  16          1HG       LYS  16   2.649   9.617   9.617
  140   1HD   LYS  16          2HD       LYS  16   2.075   8.336   8.336
  141   2HD   LYS  16          1HD       LYS  16   1.891   6.862   6.862
  142   1HE   LYS  16          2HE       LYS  16   4.465   7.071   7.071
  143   2HE   LYS  16          1HE       LYS  16   4.424   8.138   8.138
  144   1HZ   LYS  16          2HZ       LYS  16   3.204   6.423   6.423
  145   2HZ   LYS  16          1HZ       LYS  16   3.299   5.390   5.390
  146   3HZ   LYS  16          3HZ       LYS  16   4.711   5.837   5.837
  147    H    GLU  17           H        GLU  17  -0.525   5.970   5.970
  148    HA   GLU  17           HA       GLU  17   1.239   4.023   4.023
  149   1HB   GLU  17          2HB       GLU  17  -1.256   4.932   4.932
  150   2HB   GLU  17          1HB       GLU  17  -1.674   3.497   3.497
  151   1HG   GLU  17          2HG       GLU  17  -0.884   2.050   2.050
  152   2HG   GLU  17          1HG       GLU  17   0.373   3.165   3.165
  153    H    LEU  18           H        LEU  18  -0.891   4.070   4.070
  154    HA   LEU  18           HA       LEU  18  -0.557   1.355   1.355
  155   1HB   LEU  18          2HB       LEU  18  -2.225   2.946   2.946
  156   2HB   LEU  18          1HB       LEU  18  -0.930   3.941   3.941
  157    HG   LEU  18           HG       LEU  18  -0.219   2.030   2.030
  158   1HD1  LEU  18          2HD1      LEU  18  -2.680   0.728   0.728
  159   2HD1  LEU  18          1HD1      LEU  18  -1.783   0.091   0.091
  160   3HD1  LEU  18          3HD1      LEU  18  -1.012   0.196   0.196
  161   1HD2  LEU  18          2HD2      LEU  18  -1.939   3.762   3.762
  162   2HD2  LEU  18          1HD2      LEU  18  -1.994   2.232   2.232
  163   3HD2  LEU  18          3HD2      LEU  18  -3.180   2.571   2.571
  164    H    ARG  19           H        ARG  19   1.511   4.173   4.173
  165    HA   ARG  19           HA       ARG  19   3.437   2.947   2.947
  166   1HB   ARG  19          2HB       ARG  19   2.824   5.336   5.336
  167   2HB   ARG  19          1HB       ARG  19   3.351   5.564   5.564
  168   1HG   ARG  19          2HG       ARG  19   5.648   4.868   4.868
  169   2HG   ARG  19          1HG       ARG  19   5.105   4.726   4.726
  170   1HD   ARG  19          2HD       ARG  19   6.083   6.910   6.910
  171   2HD   ARG  19          1HD       ARG  19   4.332   7.186   7.186
  172    HE   ARG  19           HE       ARG  19   5.001   6.786   6.786
  173   1HH1  ARG  19          1HH2      ARG  19   6.193   8.922   8.922
  174   2HH1  ARG  19          2HH2      ARG  19   6.653  10.148  10.148
  175   1HH2  ARG  19          1HH1      ARG  19   5.610   8.400   8.400
  176   2HH2  ARG  19          2HH1      ARG  19   6.327   9.858   9.858
  177    H    ASP  20           H        ASP  20   2.925   3.379   3.379
  178    HA   ASP  20           HA       ASP  20   5.727   2.886   2.886
  179   1HB   ASP  20          2HB       ASP  20   3.952   4.252   4.252
  180   2HB   ASP  20          1HB       ASP  20   3.261   2.706   2.706
  181    H    PHE  21           H        PHE  21   3.002   0.882   0.882
  182    HA   PHE  21           HA       PHE  21   3.886  -1.450  -1.450
  183   1HB   PHE  21          2HB       PHE  21   1.545  -1.317  -1.317
  184   2HB   PHE  21          1HB       PHE  21   1.815  -0.847  -0.847
  185    HD1  PHE  21          2HD       PHE  21   3.600  -3.620  -3.620
  186    HD2  PHE  21          1HD       PHE  21   0.505  -2.552  -2.552
  187    HE1  PHE  21          2HE       PHE  21   3.466  -5.963  -5.963
  188    HE2  PHE  21          1HE       PHE  21   0.379  -4.921  -4.921
  189   1HZ   PHE  21           HZ       PHE  21   1.851  -6.630  -6.630
  190    H    ILE  22           H        ILE  22   3.833  -0.511  -0.511
  191    HA   ILE  22           HA       ILE  22   5.300  -2.725  -2.725
  192    HB   ILE  22           HB       ILE  22   4.960   0.101   0.101
  193   1HG1  ILE  22          2HG1      ILE  22   3.826  -2.460  -2.460
  194   2HG1  ILE  22          1HG1      ILE  22   3.047  -1.626  -1.626
  195   1HG2  ILE  22          1HG2      ILE  22   6.545  -2.162  -2.162
  196   2HG2  ILE  22          3HG2      ILE  22   5.578  -1.200  -1.200
  197   3HG2  ILE  22          2HG2      ILE  22   6.822  -0.426  -0.426
  198   1HD1  ILE  22          1HD1      ILE  22   3.720   0.230   0.230
  199   2HD1  ILE  22          3HD1      ILE  22   2.705  -1.086  -1.086
  200   3HD1  ILE  22          2HD1      ILE  22   2.159  -0.087  -0.087
  201    H    GLU  23           H        GLU  23   6.344   0.171   0.171
  202    HA   GLU  23           HA       GLU  23   9.140   0.050   0.050
  203   1HB   GLU  23          2HB       GLU  23   7.879   2.004   2.004
  204   2HB   GLU  23          1HB       GLU  23   7.765   1.113   1.113
  205   1HG   GLU  23          2HG       GLU  23   9.699   2.266   2.266
  206   2HG   GLU  23          1HG       GLU  23  10.419   0.908   0.908
  207    H    LYS  24           H        LYS  24   7.117  -1.280  -1.280
  208    HA   LYS  24           HA       LYS  24   9.403  -2.814  -2.814
  209   1HB   LYS  24          2HB       LYS  24   7.876  -1.503  -1.503
  210   2HB   LYS  24          1HB       LYS  24   6.506  -2.439  -2.439
  211   1HG   LYS  24          2HG       LYS  24   7.057  -4.291  -4.291
  212   2HG   LYS  24          1HG       LYS  24   8.791  -4.005  -4.005
  213   1HD   LYS  24          2HD       LYS  24   8.756  -2.319  -2.319
  214   2HD   LYS  24          1HD       LYS  24   6.992  -2.269  -2.269
  215   1HE   LYS  24          2HE       LYS  24   7.193  -4.822  -4.822
  216   2HE   LYS  24          1HE       LYS  24   8.821  -4.356  -4.356
  217   1HZ   LYS  24          1HZ       LYS  24   7.844  -2.543  -2.543
  218   2HZ   LYS  24          3HZ       LYS  24   6.289  -3.011  -3.011
  219   3HZ   LYS  24          2HZ       LYS  24   7.209  -4.036  -4.036
  220    H    PHE  25           H        PHE  25   7.698  -3.312  -3.312
  221    HA   PHE  25           HA       PHE  25   6.670  -6.055  -6.055
  222   1HB   PHE  25          2HB       PHE  25   5.239  -4.410  -4.410
  223   2HB   PHE  25          1HB       PHE  25   6.498  -4.041  -4.041
  224    HD1  PHE  25          1HD       PHE  25   5.638  -7.495  -7.495
  225    HD2  PHE  25          2HD       PHE  25   5.244  -4.447  -4.447
  226    HE1  PHE  25          1HE       PHE  25   4.711  -9.174  -9.174
  227    HE2  PHE  25          2HE       PHE  25   4.327  -6.133  -6.133
  228   1HZ   PHE  25           HZ       PHE  25   4.058  -8.495  -8.495
  229    H    LYS  26           H        LYS  26   9.594  -4.733  -4.733
  230    HA   LYS  26           HA       LYS  26  11.529  -5.599  -5.599
  231   1HB   LYS  26          2HB       LYS  26  10.516  -7.675  -7.675
  232   2HB   LYS  26          1HB       LYS  26   9.982  -8.168  -8.168
  233   1HG   LYS  26          2HG       LYS  26  12.383  -7.862  -7.862
  234   2HG   LYS  26          1HG       LYS  26  12.823  -7.683  -7.683
  235   1HD   LYS  26          2HD       LYS  26  12.254  -9.894  -9.894
  236   2HD   LYS  26          1HD       LYS  26  11.196 -10.052 -10.052
  237   1HE   LYS  26          2HE       LYS  26  13.464  -9.636  -9.636
  238   2HE   LYS  26          1HE       LYS  26  14.178 -10.290 -10.290
  239   1HZ   LYS  26          3HZ       LYS  26  11.920 -11.542 -11.542
  240   2HZ   LYS  26          2HZ       LYS  26  13.538 -12.038 -12.038
  241   3HZ   LYS  26          1HZ       LYS  26  12.729 -12.178 -12.178
  242    H    GLY  27           H        GLY  27   9.338  -4.313  -4.313
  243   1HA   GLY  27          2HA       GLY  27   9.987  -5.364  -5.364
  244   2HA   GLY  27          1HA       GLY  27   8.312  -5.006  -5.006
  245    H    ARG  28           H        ARG  28   8.630  -2.667  -2.667
  246    HA   ARG  28           HA       ARG  28   8.761  -0.336  -0.336
  247   1HB   ARG  28          2HB       ARG  28  11.253  -1.456  -1.456
  248   2HB   ARG  28          1HB       ARG  28  11.170  -0.591  -0.591
  249   1HG   ARG  28          2HG       ARG  28  10.167   1.308   1.308
  250   2HG   ARG  28          1HG       ARG  28  11.250   0.475   0.475
  251   1HD   ARG  28          2HD       ARG  28  13.162   0.980   0.980
  252   2HD   ARG  28          1HD       ARG  28  12.215   1.267   1.267
  253    HE   ARG  28           HE       ARG  28  12.704   3.217   3.217
  254   1HH1  ARG  28          1HH2      ARG  28  10.319   2.115   2.115
  255   2HH1  ARG  28          2HH2      ARG  28   9.554   3.663   3.663
  256   1HH2  ARG  28          1HH1      ARG  28  11.683   5.203   5.203
  257   2HH2  ARG  28          2HH1      ARG  28  10.314   5.392   5.392

  Start of MODEL   15
    1   1H    GLN   1          1HT       GLN   1 -12.618   5.287   5.287
    2   2H    GLN   1          3HT       GLN   1 -14.182   5.893   5.893
    3   3H    GLN   1          2HT       GLN   1 -13.221   6.516   6.516
    4    HA   GLN   1           HA       GLN   1 -13.276   8.058   8.058
    5   1HB   GLN   1          2HB       GLN   1 -12.646   5.454   5.454
    6   2HB   GLN   1          1HB       GLN   1 -11.923   6.901   6.901
    7   1HG   GLN   1          2HG       GLN   1 -14.216   7.945   7.945
    8   2HG   GLN   1          1HG       GLN   1 -14.869   6.383   6.383
    9   1HE2  GLN   1          2HE2      GLN   1 -15.179   5.779   5.779
   10   2HE2  GLN   1          1HE2      GLN   1 -16.019   6.139   6.139
   11    H    GLN   2           H        GLN   2 -10.576   5.721   5.721
   12    HA   GLN   2           HA       GLN   2  -8.776   7.794   7.794
   13   1HB   GLN   2          2HB       GLN   2  -8.459   6.027   6.027
   14   2HB   GLN   2          1HB       GLN   2  -7.089   6.840   6.840
   15   1HG   GLN   2          2HG       GLN   2  -7.667   8.494   8.494
   16   2HG   GLN   2          1HG       GLN   2  -8.767   8.935   8.935
   17   1HE2  GLN   2          2HE2      GLN   2 -11.299   8.746   8.746
   18   2HE2  GLN   2          1HE2      GLN   2 -10.376   9.785   9.785
   19    H    TYR   3           H        TYR   3  -7.951   4.509   4.509
   20    HA   TYR   3           HA       TYR   3  -7.499   3.739   3.739
   21   1HB   TYR   3          2HB       TYR   3  -5.704   3.801   3.801
   22   2HB   TYR   3          1HB       TYR   3  -5.516   2.457   2.457
   23    HD1  TYR   3          1HD       TYR   3  -5.905   6.173   6.173
   24    HD2  TYR   3          2HD       TYR   3  -4.204   2.737   2.737
   25    HE1  TYR   3          1HE       TYR   3  -4.734   7.660   7.660
   26    HE2  TYR   3          2HE       TYR   3  -3.017   4.222   4.222
   27    HH   TYR   3           HH       TYR   3  -3.798   7.409   7.409
   28    H    THR   4           H        THR   4  -8.986   2.166   2.166
   29    HA   THR   4           HA       THR   4  -9.603   0.179   0.179
   30    HB   THR   4           HB       THR   4 -10.823   0.637   0.637
   31    HG1  THR   4          1HG       THR   4 -12.027   2.134   2.134
   32   1HG2  THR   4          2HG2      THR   4 -11.505  -1.040  -1.040
   33   2HG2  THR   4          1HG2      THR   4 -12.816  -0.380  -0.380
   34   3HG2  THR   4          3HG2      THR   4 -11.614  -1.439  -1.439
   35    H    ALA   5           H        ALA   5  -7.491   0.481   0.481
   36    HA   ALA   5           HA       ALA   5  -7.553  -1.917  -1.917
   37   1HB   ALA   5          2HB       ALA   5  -5.922   0.270   0.270
   38   2HB   ALA   5          1HB       ALA   5  -4.881  -0.992  -0.992
   39   3HB   ALA   5          3HB       ALA   5  -5.536  -1.151  -1.151
   40    H    LYS   6           H        LYS   6  -5.724  -3.667  -3.667
   41    HA   LYS   6           HA       LYS   6  -5.305  -4.412  -4.412
   42   1HB   LYS   6          2HB       LYS   6  -6.211  -6.694  -6.694
   43   2HB   LYS   6          1HB       LYS   6  -7.432  -5.429  -5.429
   44   1HG   LYS   6          2HG       LYS   6  -6.878  -5.353  -5.353
   45   2HG   LYS   6          1HG       LYS   6  -6.003  -6.862  -6.862
   46   1HD   LYS   6          2HD       LYS   6  -7.936  -8.050  -8.050
   47   2HD   LYS   6          1HD       LYS   6  -8.821  -6.593  -6.593
   48   1HE   LYS   6          2HE       LYS   6  -9.199  -5.979  -5.979
   49   2HE   LYS   6          1HE       LYS   6  -7.923  -7.063  -7.063
   50   1HZ   LYS   6          2HZ       LYS   6  -9.195  -8.947  -8.947
   51   2HZ   LYS   6          1HZ       LYS   6 -10.437  -7.898  -7.898
   52   3HZ   LYS   6          3HZ       LYS   6 -10.091  -8.083  -8.083
   53    H    ILE   7           H        ILE   7  -3.156  -3.617  -3.617
   54    HA   ILE   7           HA       ILE   7  -1.716  -5.031  -5.031
   55    HB   ILE   7           HB       ILE   7  -0.915  -3.657  -3.657
   56   1HG1  ILE   7          2HG1      ILE   7  -0.501  -2.635  -2.635
   57   2HG1  ILE   7          1HG1      ILE   7  -2.104  -2.533  -2.533
   58   1HG2  ILE   7          2HG2      ILE   7   0.748  -5.094  -5.094
   59   2HG2  ILE   7          1HG2      ILE   7   1.276  -3.444  -3.444
   60   3HG2  ILE   7          3HG2      ILE   7   1.126  -4.601  -4.601
   61   1HD1  ILE   7          3HD1      ILE   7  -0.786  -1.531  -1.531
   62   2HD1  ILE   7          2HD1      ILE   7   0.447  -1.186  -1.186
   63   3HD1  ILE   7          1HD1      ILE   7  -1.171  -0.503  -0.503
   64    H    LYS   8           H        LYS   8  -0.354  -5.546  -5.546
   65    HA   LYS   8           HA       LYS   8   0.194  -8.307  -8.307
   66   1HB   LYS   8          2HB       LYS   8   1.545  -6.899  -6.899
   67   2HB   LYS   8          1HB       LYS   8   0.159  -6.640  -6.640
   68   1HG   LYS   8          2HG       LYS   8   1.613  -8.352  -8.352
   69   2HG   LYS   8          1HG       LYS   8   0.091  -9.086  -9.086
   70   1HD   LYS   8          2HD       LYS   8   1.198  -9.770  -9.770
   71   2HD   LYS   8          1HD       LYS   8   2.722  -9.161  -9.161
   72   1HE   LYS   8          2HE       LYS   8   1.195 -11.058 -11.058
   73   2HE   LYS   8          1HE       LYS   8   2.014 -11.730 -11.730
   74   1HZ   LYS   8          2HZ       LYS   8   4.025 -10.517 -10.517
   75   2HZ   LYS   8          1HZ       LYS   8   3.242 -10.001 -10.001
   76   3HZ   LYS   8          3HZ       LYS   8   3.552 -11.650 -11.650
   77    H    GLY   9           H        GLY   9  -2.573  -6.624  -6.624
   78   1HA   GLY   9          2HA       GLY   9  -4.637  -8.184  -8.184
   79   2HA   GLY   9          1HA       GLY   9  -3.749  -9.143  -9.143
   80    H    ARG  10           H        ARG  10  -4.392  -5.642  -5.642
   81    HA   ARG  10           HA       ARG  10  -5.848  -5.503  -5.503
   82   1HB   ARG  10          2HB       ARG  10  -3.963  -3.688  -3.688
   83   2HB   ARG  10          1HB       ARG  10  -3.880  -5.374  -5.374
   84   1HG   ARG  10          2HG       ARG  10  -2.437  -5.814  -5.814
   85   2HG   ARG  10          1HG       ARG  10  -2.424  -4.074  -4.074
   86   1HD   ARG  10          2HD       ARG  10  -0.620  -4.004  -4.004
   87   2HD   ARG  10          1HD       ARG  10  -1.752  -4.311  -4.311
   88    HE   ARG  10           HE       ARG  10  -0.999  -6.745  -6.745
   89   1HH1  ARG  10          1HH2      ARG  10  -0.083  -4.515  -4.515
   90   2HH1  ARG  10          2HH2      ARG  10   0.838  -5.706  -5.706
   91   1HH2  ARG  10          1HH1      ARG  10   0.199  -8.253  -8.253
   92   2HH2  ARG  10          2HH1      ARG  10   0.996  -7.800  -7.800
   93    H    THR  11           H        THR  11  -7.105  -3.686  -3.686
   94    HA   THR  11           HA       THR  11  -7.112  -1.812  -1.812
   95    HB   THR  11           HB       THR  11  -9.022  -0.906  -0.906
   96    HG1  THR  11          1HG       THR  11  -9.107  -1.905  -1.905
   97   1HG2  THR  11          2HG2      THR  11  -8.992  -2.672  -2.672
   98   2HG2  THR  11          1HG2      THR  11  -9.699  -3.668  -3.668
   99   3HG2  THR  11          3HG2      THR  11 -10.464  -2.146  -2.146
  100    H    PHE  12           H        PHE  12  -5.945   0.140   0.140
  101    HA   PHE  12           HA       PHE  12  -4.584   0.702   0.702
  102   1HB   PHE  12          2HB       PHE  12  -4.370   1.736   1.736
  103   2HB   PHE  12          1HB       PHE  12  -3.374   2.343   2.343
  104    HD1  PHE  12          1HD       PHE  12  -4.409  -0.858  -0.858
  105    HD2  PHE  12          2HD       PHE  12  -1.414   1.211   1.211
  106    HE1  PHE  12          1HE       PHE  12  -2.889  -2.775  -2.775
  107    HE2  PHE  12          2HE       PHE  12   0.120  -0.726  -0.726
  108   1HZ   PHE  12           HZ       PHE  12  -0.631  -2.720  -2.720
  109    H    ARG  13           H        ARG  13  -5.196   2.316   2.316
  110    HA   ARG  13           HA       ARG  13  -7.613   3.830   3.830
  111   1HB   ARG  13          2HB       ARG  13  -5.970   3.114   3.114
  112   2HB   ARG  13          1HB       ARG  13  -5.551   4.818   4.818
  113   1HG   ARG  13          2HG       ARG  13  -8.137   5.189   5.189
  114   2HG   ARG  13          1HG       ARG  13  -8.218   3.591   3.591
  115   1HD   ARG  13          2HD       ARG  13  -6.327   4.691   4.691
  116   2HD   ARG  13          1HD       ARG  13  -7.231   6.154   6.154
  117    HE   ARG  13           HE       ARG  13  -9.194   4.257   4.257
  118   1HH1  ARG  13          1HH2      ARG  13  -6.483   5.670   5.670
  119   2HH1  ARG  13          2HH2      ARG  13  -7.235   5.493   5.493
  120   1HH2  ARG  13          1HH1      ARG  13 -10.127   4.049   4.049
  121   2HH2  ARG  13          2HH1      ARG  13  -9.276   4.587   4.587
  122    H    ASN  14           H        ASN  14  -4.285   4.425   4.425
  123    HA   ASN  14           HA       ASN  14  -5.059   6.878   6.878
  124   1HB   ASN  14          2HB       ASN  14  -3.506   8.302   8.302
  125   2HB   ASN  14          1HB       ASN  14  -4.701   7.594   7.594
  126   1HD2  ASN  14          2HD2      ASN  14  -2.247   6.022   6.022
  127   2HD2  ASN  14          1HD2      ASN  14  -3.848   6.566   6.566
  128    H    GLU  15           H        GLU  15  -3.319   7.640   7.640
  129    HA   GLU  15           HA       GLU  15  -1.853   5.589   5.589
  130   1HB   GLU  15          2HB       GLU  15  -2.580   8.033   8.033
  131   2HB   GLU  15          1HB       GLU  15  -0.991   8.456   8.456
  132   1HG   GLU  15          2HG       GLU  15   0.098   6.955   6.955
  133   2HG   GLU  15          1HG       GLU  15  -1.457   6.332   6.332
  134    H    LYS  16           H        LYS  16  -0.868   7.895   7.895
  135    HA   LYS  16           HA       LYS  16   1.898   7.611   7.611
  136   1HB   LYS  16          2HB       LYS  16   0.181   8.934   8.934
  137   2HB   LYS  16          1HB       LYS  16   0.328   7.550   7.550
  138   1HG   LYS  16          2HG       LYS  16   2.857   7.865   7.865
  139   2HG   LYS  16          1HG       LYS  16   2.517   9.417   9.417
  140   1HD   LYS  16          2HD       LYS  16   2.582  10.145  10.145
  141   2HD   LYS  16          1HD       LYS  16   0.893   9.640   9.640
  142   1HE   LYS  16          2HE       LYS  16   1.763   7.314   7.314
  143   2HE   LYS  16          1HE       LYS  16   3.256   8.170   8.170
  144   1HZ   LYS  16          1HZ       LYS  16   1.823   9.804   9.804
  145   2HZ   LYS  16          3HZ       LYS  16   0.505   8.766   8.766
  146   3HZ   LYS  16          2HZ       LYS  16   1.824   8.252   8.252
  147    H    GLU  17           H        GLU  17  -0.430   5.450   5.450
  148    HA   GLU  17           HA       GLU  17   1.696   3.661   3.661
  149   1HB   GLU  17          2HB       GLU  17  -0.244   2.174   2.174
  150   2HB   GLU  17          1HB       GLU  17  -0.421   3.808   3.808
  151   1HG   GLU  17          2HG       GLU  17  -2.081   4.368   4.368
  152   2HG   GLU  17          1HG       GLU  17  -1.581   3.122   3.122
  153    H    LEU  18           H        LEU  18  -0.343   3.936   3.936
  154    HA   LEU  18           HA       LEU  18   0.254   1.333   1.333
  155   1HB   LEU  18          2HB       LEU  18  -1.562   3.115   3.115
  156   2HB   LEU  18          1HB       LEU  18  -0.287   3.890   3.890
  157    HG   LEU  18           HG       LEU  18  -0.001   1.342   1.342
  158   1HD1  LEU  18          2HD1      LEU  18  -2.754   1.620   1.620
  159   2HD1  LEU  18          1HD1      LEU  18  -2.591   0.810   0.810
  160   3HD1  LEU  18          3HD1      LEU  18  -1.740   0.184   0.184
  161   1HD2  LEU  18          1HD2      LEU  18  -1.456   3.741   3.741
  162   2HD2  LEU  18          3HD2      LEU  18  -0.242   2.766   2.766
  163   3HD2  LEU  18          2HD2      LEU  18  -1.924   2.238   2.238
  164    H    ARG  19           H        ARG  19   1.884   4.429   4.429
  165    HA   ARG  19           HA       ARG  19   3.971   3.706   3.706
  166   1HB   ARG  19          2HB       ARG  19   2.987   5.967   5.967
  167   2HB   ARG  19          1HB       ARG  19   3.466   6.122   6.122
  168   1HG   ARG  19          2HG       ARG  19   5.189   7.245   7.245
  169   2HG   ARG  19          1HG       ARG  19   5.875   5.641   5.641
  170   1HD   ARG  19          2HD       ARG  19   5.856   5.148   5.148
  171   2HD   ARG  19          1HD       ARG  19   4.287   5.937   5.937
  172    HE   ARG  19           HE       ARG  19   6.420   7.824   7.824
  173   1HH1  ARG  19          1HH2      ARG  19   4.837   6.058   6.058
  174   2HH1  ARG  19          2HH2      ARG  19   5.323   7.192   7.192
  175   1HH2  ARG  19          1HH1      ARG  19   7.025   9.264   9.264
  176   2HH2  ARG  19          2HH1      ARG  19   6.548   8.988   8.988
  177    H    ASP  20           H        ASP  20   3.410   3.664   3.664
  178    HA   ASP  20           HA       ASP  20   6.330   3.316   3.316
  179   1HB   ASP  20          2HB       ASP  20   4.418   4.808   4.808
  180   2HB   ASP  20          1HB       ASP  20   4.322   3.336   3.336
  181    H    PHE  21           H        PHE  21   3.389   1.478   1.478
  182    HA   PHE  21           HA       PHE  21   4.241  -0.733  -0.733
  183   1HB   PHE  21          2HB       PHE  21   1.888  -0.362  -0.362
  184   2HB   PHE  21          1HB       PHE  21   2.062  -0.287  -0.287
  185    HD1  PHE  21          1HD       PHE  21   3.046  -2.650  -2.650
  186    HD2  PHE  21          2HD       PHE  21   1.307  -2.153  -2.153
  187    HE1  PHE  21          1HE       PHE  21   2.761  -5.102  -5.102
  188    HE2  PHE  21          2HE       PHE  21   1.029  -4.607  -4.607
  189   1HZ   PHE  21           HZ       PHE  21   1.747  -6.087  -6.087
  190    H    ILE  22           H        ILE  22   4.091  -0.058  -0.058
  191    HA   ILE  22           HA       ILE  22   5.162  -2.548  -2.548
  192    HB   ILE  22           HB       ILE  22   4.757   0.172   0.172
  193   1HG1  ILE  22          2HG1      ILE  22   3.817  -1.477  -1.477
  194   2HG1  ILE  22          1HG1      ILE  22   3.925  -2.652  -2.652
  195   1HG2  ILE  22          1HG2      ILE  22   6.691  -1.829  -1.829
  196   2HG2  ILE  22          3HG2      ILE  22   5.770  -0.757  -0.757
  197   3HG2  ILE  22          2HG2      ILE  22   6.873  -0.081  -0.081
  198   1HD1  ILE  22          1HD1      ILE  22   2.672  -0.885  -0.885
  199   2HD1  ILE  22          3HD1      ILE  22   2.282  -0.128  -0.128
  200   3HD1  ILE  22          2HD1      ILE  22   1.745  -1.772  -1.772
  201    H    GLU  23           H        GLU  23   6.664   0.308   0.308
  202    HA   GLU  23           HA       GLU  23   9.369  -0.156  -0.156
  203   1HB   GLU  23          2HB       GLU  23   8.368   1.918   1.918
  204   2HB   GLU  23          1HB       GLU  23   8.316   1.049   1.049
  205   1HG   GLU  23          2HG       GLU  23  10.939   0.906   0.906
  206   2HG   GLU  23          1HG       GLU  23  10.456   2.550   2.550
  207    H    LYS  24           H        LYS  24   7.428  -1.218  -1.218
  208    HA   LYS  24           HA       LYS  24   9.589  -2.917  -2.917
  209   1HB   LYS  24          2HB       LYS  24   6.751  -2.186  -2.186
  210   2HB   LYS  24          1HB       LYS  24   7.611  -3.465  -3.465
  211   1HG   LYS  24          2HG       LYS  24   9.406  -1.900  -1.900
  212   2HG   LYS  24          1HG       LYS  24   8.600  -0.618  -0.618
  213   1HD   LYS  24          2HD       LYS  24   7.949  -0.240  -0.240
  214   2HD   LYS  24          1HD       LYS  24   6.569  -1.070  -1.070
  215   1HE   LYS  24          2HE       LYS  24   8.232  -3.149  -3.149
  216   2HE   LYS  24          1HE       LYS  24   8.270  -1.935  -1.935
  217   1HZ   LYS  24          3HZ       LYS  24   5.796  -1.766  -1.766
  218   2HZ   LYS  24          2HZ       LYS  24   5.884  -3.160  -3.160
  219   3HZ   LYS  24          1HZ       LYS  24   6.340  -3.228  -3.228
  220    H    PHE  25           H        PHE  25   7.537  -3.244  -3.244
  221    HA   PHE  25           HA       PHE  25   6.702  -6.057  -6.057
  222   1HB   PHE  25          2HB       PHE  25   5.148  -4.455  -4.455
  223   2HB   PHE  25          1HB       PHE  25   6.343  -3.941  -3.941
  224    HD1  PHE  25          2HD       PHE  25   5.525  -7.451  -7.451
  225    HD2  PHE  25          1HD       PHE  25   5.270  -4.356  -4.356
  226    HE1  PHE  25          2HE       PHE  25   4.676  -9.104  -9.104
  227    HE2  PHE  25          1HE       PHE  25   4.422  -6.012  -6.012
  228   1HZ   PHE  25           HZ       PHE  25   4.123  -8.387  -8.387
  229    H    LYS  26           H        LYS  26   9.566  -4.692  -4.692
  230    HA   LYS  26           HA       LYS  26  11.480  -5.494  -5.494
  231   1HB   LYS  26          2HB       LYS  26  10.298  -7.695  -7.695
  232   2HB   LYS  26          1HB       LYS  26   9.990  -7.980  -7.980
  233   1HG   LYS  26          2HG       LYS  26  12.454  -7.588  -7.588
  234   2HG   LYS  26          1HG       LYS  26  12.679  -7.581  -7.581
  235   1HD   LYS  26          2HD       LYS  26  11.309  -9.859  -9.859
  236   2HD   LYS  26          1HD       LYS  26  11.967  -9.851  -9.851
  237   1HE   LYS  26          2HE       LYS  26  14.196  -9.186  -9.186
  238   2HE   LYS  26          1HE       LYS  26  13.362 -10.269 -10.269
  239   1HZ   LYS  26          3HZ       LYS  26  13.007 -11.799 -11.799
  240   2HZ   LYS  26          2HZ       LYS  26  14.030 -10.813 -10.813
  241   3HZ   LYS  26          1HZ       LYS  26  14.636 -11.619 -11.619
  242    H    GLY  27           H        GLY  27   9.231  -4.046  -4.046
  243   1HA   GLY  27          2HA       GLY  27   9.829  -4.814  -4.814
  244   2HA   GLY  27          1HA       GLY  27   8.204  -4.335  -4.335
  245    H    ARG  28           H        ARG  28   8.895  -2.230  -2.230
  246    HA   ARG  28           HA       ARG  28   9.290   0.082   0.082
  247   1HB   ARG  28          2HB       ARG  28  11.598  -1.347  -1.347
  248   2HB   ARG  28          1HB       ARG  28  11.482   0.209   0.209
  249   1HG   ARG  28          2HG       ARG  28  11.836   1.408   1.408
  250   2HG   ARG  28          1HG       ARG  28  11.034   0.210   0.210
  251   1HD   ARG  28          2HD       ARG  28  12.967  -1.271  -1.271
  252   2HD   ARG  28          1HD       ARG  28  13.766  -0.181  -0.181
  253    HE   ARG  28           HE       ARG  28  13.202   1.495   1.495
  254   1HH1  ARG  28          1HH2      ARG  28  14.775  -1.624  -1.624
  255   2HH1  ARG  28          2HH2      ARG  28  15.768  -1.321  -1.321
  256   1HH2  ARG  28          1HH1      ARG  28  14.507   1.845   1.845
  257   2HH2  ARG  28          2HH1      ARG  28  15.620   0.621   0.621

  Start of MODEL   16
    1   1H    GLN   1          2HT       GLN   1 -13.986   7.410   7.410
    2   2H    GLN   1          1HT       GLN   1 -15.005   6.055   6.055
    3   3H    GLN   1          3HT       GLN   1 -13.553   6.104   6.104
    4    HA   GLN   1           HA       GLN   1 -13.236   4.672   4.672
    5   1HB   GLN   1          2HB       GLN   1 -15.206   5.960   5.960
    6   2HB   GLN   1          1HB       GLN   1 -13.958   7.057   7.057
    7   1HG   GLN   1          2HG       GLN   1 -12.755   5.050   5.050
    8   2HG   GLN   1          1HG       GLN   1 -14.163   4.078   4.078
    9   1HE2  GLN   1          2HE2      GLN   1 -16.060   5.148   5.148
   10   2HE2  GLN   1          1HE2      GLN   1 -15.962   4.139   4.139
   11    H    GLN   2           H        GLN   2 -11.037   4.565   4.565
   12    HA   GLN   2           HA       GLN   2  -9.513   7.069   7.069
   13   1HB   GLN   2          2HB       GLN   2  -9.316   5.158   5.158
   14   2HB   GLN   2          1HB       GLN   2  -7.832   5.897   5.897
   15   1HG   GLN   2          2HG       GLN   2 -10.307   7.482   7.482
   16   2HG   GLN   2          1HG       GLN   2  -8.968   7.201   7.201
   17   1HE2  GLN   2          2HE2      GLN   2  -8.648  10.251  10.251
   18   2HE2  GLN   2          1HE2      GLN   2 -10.109   9.531   9.531
   19    H    TYR   3           H        TYR   3  -8.309   3.797   3.797
   20    HA   TYR   3           HA       TYR   3  -7.466   3.526   3.526
   21   1HB   TYR   3          2HB       TYR   3  -5.918   3.620   3.620
   22   2HB   TYR   3          1HB       TYR   3  -5.393   2.436   2.436
   23    HD1  TYR   3          2HD       TYR   3  -6.390   6.020   6.020
   24    HD2  TYR   3          1HD       TYR   3  -4.057   3.105   3.105
   25    HE1  TYR   3          2HE       TYR   3  -5.405   7.825   7.825
   26    HE2  TYR   3          1HE       TYR   3  -3.055   4.915   4.915
   27    HH   TYR   3           HH       TYR   3  -3.565   7.179   7.179
   28    H    THR   4           H        THR   4  -8.687   1.816   1.816
   29    HA   THR   4           HA       THR   4  -9.004  -0.546  -0.546
   30    HB   THR   4           HB       THR   4 -10.254   0.007   0.007
   31    HG1  THR   4          1HG       THR   4 -11.546   1.372   1.372
   32   1HG2  THR   4          3HG2      THR   4 -11.027  -1.699  -1.699
   33   2HG2  THR   4          2HG2      THR   4 -12.071  -1.416  -1.416
   34   3HG2  THR   4          1HG2      THR   4 -10.540  -2.268  -2.268
   35    H    ALA   5           H        ALA   5  -7.048   0.512   0.512
   36    HA   ALA   5           HA       ALA   5  -6.687  -1.795  -1.795
   37   1HB   ALA   5          1HB       ALA   5  -5.740   0.706   0.706
   38   2HB   ALA   5          3HB       ALA   5  -4.351  -0.086  -0.086
   39   3HB   ALA   5          2HB       ALA   5  -4.904  -0.591  -0.591
   40    H    LYS   6           H        LYS   6  -6.575  -3.729  -3.729
   41    HA   LYS   6           HA       LYS   6  -4.806  -4.024  -4.024
   42   1HB   LYS   6          2HB       LYS   6  -6.249  -6.015  -6.015
   43   2HB   LYS   6          1HB       LYS   6  -5.509  -6.406  -6.406
   44   1HG   LYS   6          2HG       LYS   6  -6.990  -4.723  -4.723
   45   2HG   LYS   6          1HG       LYS   6  -7.778  -4.447  -4.447
   46   1HD   LYS   6          2HD       LYS   6  -8.112  -7.047  -7.047
   47   2HD   LYS   6          1HD       LYS   6  -7.850  -6.893  -6.893
   48   1HE   LYS   6          2HE       LYS   6  -9.663  -5.136  -5.136
   49   2HE   LYS   6          1HE       LYS   6 -10.004  -5.527  -5.527
   50   1HZ   LYS   6          3HZ       LYS   6  -9.862  -7.579  -7.579
   51   2HZ   LYS   6          2HZ       LYS   6 -11.317  -6.837  -6.837
   52   3HZ   LYS   6          1HZ       LYS   6 -10.443  -7.770  -7.770
   53    H    ILE   7           H        ILE   7  -2.714  -3.397  -3.397
   54    HA   ILE   7           HA       ILE   7  -1.480  -4.468  -4.468
   55    HB   ILE   7           HB       ILE   7  -0.908  -2.544  -2.544
   56   1HG1  ILE   7          2HG1      ILE   7   1.356  -4.123  -4.123
   57   2HG1  ILE   7          1HG1      ILE   7   0.256  -3.104  -3.104
   58   1HG2  ILE   7          2HG2      ILE   7   0.752  -4.810  -4.810
   59   2HG2  ILE   7          1HG2      ILE   7   1.044  -3.102  -3.102
   60   3HG2  ILE   7          3HG2      ILE   7  -0.456  -3.857  -3.857
   61   1HD1  ILE   7          2HD1      ILE   7   1.378  -1.760  -1.760
   62   2HD1  ILE   7          1HD1      ILE   7   2.594  -2.234  -2.234
   63   3HD1  ILE   7          3HD1      ILE   7   1.255  -1.191  -1.191
   64    H    LYS   8           H        LYS   8  -1.399  -5.584  -5.584
   65    HA   LYS   8           HA       LYS   8  -0.477  -8.246  -8.246
   66   1HB   LYS   8          2HB       LYS   8   1.216  -6.864  -6.864
   67   2HB   LYS   8          1HB       LYS   8   0.129  -6.838  -6.838
   68   1HG   LYS   8          2HG       LYS   8   1.703  -8.615  -8.615
   69   2HG   LYS   8          1HG       LYS   8   0.171  -9.374  -9.374
   70   1HD   LYS   8          2HD       LYS   8   0.909  -9.867  -9.867
   71   2HD   LYS   8          1HD       LYS   8   2.265  -8.745  -8.745
   72   1HE   LYS   8          2HE       LYS   8   3.455 -10.181 -10.181
   73   2HE   LYS   8          1HE       LYS   8   2.023 -11.194 -11.194
   74   1HZ   LYS   8          2HZ       LYS   8   3.268 -10.770 -10.770
   75   2HZ   LYS   8          1HZ       LYS   8   3.604 -12.109 -12.109
   76   3HZ   LYS   8          3HZ       LYS   8   2.034 -11.869 -11.869
   77    H    GLY   9           H        GLY   9  -2.643  -6.419  -6.419
   78   1HA   GLY   9          2HA       GLY   9  -4.837  -7.847  -7.847
   79   2HA   GLY   9          1HA       GLY   9  -3.768  -8.885  -8.885
   80    H    ARG  10           H        ARG  10  -3.973  -5.329  -5.329
   81    HA   ARG  10           HA       ARG  10  -4.868  -5.156  -5.156
   82   1HB   ARG  10          2HB       ARG  10  -2.272  -5.391  -5.391
   83   2HB   ARG  10          1HB       ARG  10  -2.376  -3.709  -3.709
   84   1HG   ARG  10          2HG       ARG  10  -2.753  -2.932  -2.932
   85   2HG   ARG  10          1HG       ARG  10  -3.834  -4.266  -4.266
   86   1HD   ARG  10          2HD       ARG  10  -0.812  -4.544  -4.544
   87   2HD   ARG  10          1HD       ARG  10  -1.704  -4.265  -4.265
   88    HE   ARG  10           HE       ARG  10  -2.825  -6.470  -6.470
   89   1HH1  ARG  10          1HH2      ARG  10  -0.295  -5.577  -5.577
   90   2HH1  ARG  10          2HH2      ARG  10  -0.129  -7.188  -7.188
   91   1HH2  ARG  10          1HH1      ARG  10  -2.573  -8.539  -8.539
   92   2HH2  ARG  10          2HH1      ARG  10  -1.402  -8.848  -8.848
   93    H    THR  11           H        THR  11  -6.744  -3.985  -3.985
   94    HA   THR  11           HA       THR  11  -6.631  -1.767  -1.767
   95    HB   THR  11           HB       THR  11  -8.419  -2.357  -2.357
   96    HG1  THR  11          1HG       THR  11  -8.682  -2.880  -2.880
   97   1HG2  THR  11          1HG2      THR  11  -8.320   0.036   0.036
   98   2HG2  THR  11          3HG2      THR  11  -9.549  -0.843  -0.843
   99   3HG2  THR  11          2HG2      THR  11  -9.741  -0.591  -0.591
  100    H    PHE  12           H        PHE  12  -5.653   0.184   0.184
  101    HA   PHE  12           HA       PHE  12  -4.473   0.833   0.833
  102   1HB   PHE  12          2HB       PHE  12  -4.245   2.083   2.083
  103   2HB   PHE  12          1HB       PHE  12  -3.188   2.413   2.413
  104    HD1  PHE  12          1HD       PHE  12  -4.172  -0.093  -0.093
  105    HD2  PHE  12          2HD       PHE  12  -1.596   0.734   0.734
  106    HE1  PHE  12          1HE       PHE  12  -2.759  -2.039  -2.039
  107    HE2  PHE  12          2HE       PHE  12  -0.213  -1.215  -1.215
  108   1HZ   PHE  12           HZ       PHE  12  -0.778  -2.608  -2.608
  109    H    ARG  13           H        ARG  13  -4.923   2.706   2.706
  110    HA   ARG  13           HA       ARG  13  -7.549   3.920   3.920
  111   1HB   ARG  13          2HB       ARG  13  -5.831   3.476   3.476
  112   2HB   ARG  13          1HB       ARG  13  -5.428   5.157   5.157
  113   1HG   ARG  13          2HG       ARG  13  -7.761   5.815   5.815
  114   2HG   ARG  13          1HG       ARG  13  -8.239   4.133   4.133
  115   1HD   ARG  13          2HD       ARG  13  -7.200   4.006   4.006
  116   2HD   ARG  13          1HD       ARG  13  -6.193   5.435   5.435
  117    HE   ARG  13           HE       ARG  13  -8.976   5.469   5.469
  118   1HH1  ARG  13          1HH2      ARG  13  -6.507   7.203   7.203
  119   2HH1  ARG  13          2HH2      ARG  13  -7.273   8.736   8.736
  120   1HH2  ARG  13          1HH1      ARG  13  -9.933   7.472   7.472
  121   2HH2  ARG  13          2HH1      ARG  13  -9.191   8.888   8.888
  122    H    ASN  14           H        ASN  14  -4.365   4.637   4.637
  123    HA   ASN  14           HA       ASN  14  -5.365   6.971   6.971
  124   1HB   ASN  14          2HB       ASN  14  -3.646   8.468   8.468
  125   2HB   ASN  14          1HB       ASN  14  -4.839   7.911   7.911
  126   1HD2  ASN  14          2HD2      ASN  14  -2.386   6.452   6.452
  127   2HD2  ASN  14          1HD2      ASN  14  -3.947   7.100   7.100
  128    H    GLU  15           H        GLU  15  -3.411   7.923   7.923
  129    HA   GLU  15           HA       GLU  15  -2.165   5.785   5.785
  130   1HB   GLU  15          2HB       GLU  15  -2.862   8.168   8.168
  131   2HB   GLU  15          1HB       GLU  15  -1.333   8.682   8.682
  132   1HG   GLU  15          2HG       GLU  15  -0.108   7.136   7.136
  133   2HG   GLU  15          1HG       GLU  15  -1.632   6.599   6.599
  134    H    LYS  16           H        LYS  16  -0.974   8.076   8.076
  135    HA   LYS  16           HA       LYS  16   1.781   7.627   7.627
  136   1HB   LYS  16          2HB       LYS  16  -0.104   8.016   8.016
  137   2HB   LYS  16          1HB       LYS  16   1.648   8.164   8.164
  138   1HG   LYS  16          2HG       LYS  16   1.191   9.765   9.765
  139   2HG   LYS  16          1HG       LYS  16  -0.318   9.992   9.992
  140   1HD   LYS  16          2HD       LYS  16   1.593  10.135  10.135
  141   2HD   LYS  16          1HD       LYS  16   2.388  10.933  10.933
  142   1HE   LYS  16          2HE       LYS  16   0.839  12.662  12.662
  143   2HE   LYS  16          1HE       LYS  16  -0.467  11.654  11.654
  144   1HZ   LYS  16          2HZ       LYS  16   0.848  11.529  11.529
  145   2HZ   LYS  16          1HZ       LYS  16   1.896  12.706  12.706
  146   3HZ   LYS  16          3HZ       LYS  16   0.267  13.085  13.085
  147    H    GLU  17           H        GLU  17  -0.675   5.678   5.678
  148    HA   GLU  17           HA       GLU  17   1.208   3.779   3.779
  149   1HB   GLU  17          2HB       GLU  17  -1.684   4.205   4.205
  150   2HB   GLU  17          1HB       GLU  17  -1.266   2.496   2.496
  151   1HG   GLU  17          2HG       GLU  17   0.315   3.128   3.128
  152   2HG   GLU  17          1HG       GLU  17  -0.921   4.364   4.364
  153    H    LEU  18           H        LEU  18  -0.866   3.742   3.742
  154    HA   LEU  18           HA       LEU  18  -0.086   1.201   1.201
  155   1HB   LEU  18          2HB       LEU  18  -1.909   2.616   2.616
  156   2HB   LEU  18          1HB       LEU  18  -0.729   3.811   3.811
  157    HG   LEU  18           HG       LEU  18   0.319   2.040   2.040
  158   1HD1  LEU  18          3HD1      LEU  18  -2.147   0.475   0.475
  159   2HD1  LEU  18          2HD1      LEU  18  -0.998  -0.010  -0.010
  160   3HD1  LEU  18          1HD1      LEU  18  -0.485   0.081   0.081
  161   1HD2  LEU  18          1HD2      LEU  18  -1.737   3.661   3.661
  162   2HD2  LEU  18          3HD2      LEU  18  -1.112   2.503   2.503
  163   3HD2  LEU  18          2HD2      LEU  18  -2.552   2.115   2.115
  164    H    ARG  19           H        ARG  19   1.574   4.287   4.287
  165    HA   ARG  19           HA       ARG  19   3.730   3.494   3.494
  166   1HB   ARG  19          2HB       ARG  19   3.119   5.855   5.855
  167   2HB   ARG  19          1HB       ARG  19   4.626   5.731   5.731
  168   1HG   ARG  19          2HG       ARG  19   2.002   5.352   5.352
  169   2HG   ARG  19          1HG       ARG  19   2.582   6.981   6.981
  170   1HD   ARG  19          2HD       ARG  19   4.827   5.614   5.614
  171   2HD   ARG  19          1HD       ARG  19   3.465   5.147   5.147
  172    HE   ARG  19           HE       ARG  19   3.506   8.001   8.001
  173   1HH1  ARG  19          1HH2      ARG  19   4.661   5.524   5.524
  174   2HH1  ARG  19          2HH2      ARG  19   4.921   6.646   6.646
  175   1HH2  ARG  19          1HH1      ARG  19   3.859   9.413   9.413
  176   2HH2  ARG  19          2HH1      ARG  19   4.475   8.824   8.824
  177    H    ASP  20           H        ASP  20   3.079   3.649   3.649
  178    HA   ASP  20           HA       ASP  20   5.878   2.980   2.980
  179   1HB   ASP  20          2HB       ASP  20   3.406   3.892   3.892
  180   2HB   ASP  20          1HB       ASP  20   4.297   2.710   2.710
  181    H    PHE  21           H        PHE  21   3.439   1.174   1.174
  182    HA   PHE  21           HA       PHE  21   3.695  -1.199  -1.199
  183   1HB   PHE  21          2HB       PHE  21   1.570  -0.507  -0.507
  184   2HB   PHE  21          1HB       PHE  21   2.356  -0.744  -0.744
  185    HD1  PHE  21          1HD       PHE  21   1.182  -2.442  -2.442
  186    HD2  PHE  21          2HD       PHE  21   2.779  -2.938  -2.938
  187    HE1  PHE  21          1HE       PHE  21   0.712  -4.869  -4.869
  188    HE2  PHE  21          2HE       PHE  21   2.302  -5.366  -5.366
  189   1HZ   PHE  21           HZ       PHE  21   1.269  -6.335  -6.335
  190    H    ILE  22           H        ILE  22   4.317  -0.345  -0.345
  191    HA   ILE  22           HA       ILE  22   5.817  -2.604  -2.604
  192    HB   ILE  22           HB       ILE  22   5.939   0.305   0.305
  193   1HG1  ILE  22          2HG1      ILE  22   4.852  -1.843  -1.843
  194   2HG1  ILE  22          1HG1      ILE  22   3.911  -1.446  -1.446
  195   1HG2  ILE  22          1HG2      ILE  22   7.358  -2.104  -2.104
  196   2HG2  ILE  22          3HG2      ILE  22   6.909  -0.763  -0.763
  197   3HG2  ILE  22          2HG2      ILE  22   8.002  -0.490  -0.490
  198   1HD1  ILE  22          1HD1      ILE  22   4.937   0.811   0.811
  199   2HD1  ILE  22          3HD1      ILE  22   3.566  -0.116  -0.116
  200   3HD1  ILE  22          2HD1      ILE  22   3.455   0.699   0.699
  201    H    GLU  23           H        GLU  23   6.740   0.211   0.211
  202    HA   GLU  23           HA       GLU  23   9.582  -0.164  -0.164
  203   1HB   GLU  23          2HB       GLU  23   8.132   1.806   1.806
  204   2HB   GLU  23          1HB       GLU  23   7.950   0.873   0.873
  205   1HG   GLU  23          2HG       GLU  23  10.658   1.488   1.488
  206   2HG   GLU  23          1HG       GLU  23   9.875   2.563   2.563
  207    H    LYS  24           H        LYS  24   6.969  -1.382  -1.382
  208    HA   LYS  24           HA       LYS  24   8.838  -3.234  -3.234
  209   1HB   LYS  24          2HB       LYS  24   5.944  -2.402  -2.402
  210   2HB   LYS  24          1HB       LYS  24   6.802  -3.548  -3.548
  211   1HG   LYS  24          2HG       LYS  24   8.410  -1.865  -1.865
  212   2HG   LYS  24          1HG       LYS  24   7.758  -0.723  -0.723
  213   1HD   LYS  24          2HD       LYS  24   5.498  -1.222  -1.222
  214   2HD   LYS  24          1HD       LYS  24   6.646  -1.573  -1.573
  215   1HE   LYS  24          2HE       LYS  24   6.734   0.665   0.665
  216   2HE   LYS  24          1HE       LYS  24   7.588   0.816   0.816
  217   1HZ   LYS  24          1HZ       LYS  24   5.373   0.775   0.775
  218   2HZ   LYS  24          3HZ       LYS  24   4.650   0.870   0.870
  219   3HZ   LYS  24          2HZ       LYS  24   5.624   2.145   2.145
  220    H    PHE  25           H        PHE  25   7.735  -3.415  -3.415
  221    HA   PHE  25           HA       PHE  25   6.811  -6.229  -6.229
  222   1HB   PHE  25          2HB       PHE  25   4.764  -5.018  -5.018
  223   2HB   PHE  25          1HB       PHE  25   5.445  -3.849  -3.849
  224    HD1  PHE  25          2HD       PHE  25   5.537  -7.576  -7.576
  225    HD2  PHE  25          1HD       PHE  25   4.257  -3.981  -3.981
  226    HE1  PHE  25          2HE       PHE  25   4.798  -8.925  -8.925
  227    HE2  PHE  25          1HE       PHE  25   3.494  -5.340  -5.340
  228   1HZ   PHE  25           HZ       PHE  25   3.761  -7.810  -7.810
  229    H    LYS  26           H        LYS  26   9.409  -5.186  -5.186
  230    HA   LYS  26           HA       LYS  26   9.657  -5.390  -5.390
  231   1HB   LYS  26          2HB       LYS  26  12.065  -4.887  -4.887
  232   2HB   LYS  26          1HB       LYS  26  10.979  -3.667  -3.667
  233   1HG   LYS  26          2HG       LYS  26  11.426  -4.241  -4.241
  234   2HG   LYS  26          1HG       LYS  26  11.571  -5.958  -5.958
  235   1HD   LYS  26          2HD       LYS  26  13.809  -5.807  -5.807
  236   2HD   LYS  26          1HD       LYS  26  13.665  -4.169  -4.169
  237   1HE   LYS  26          2HE       LYS  26  13.983  -3.193  -3.193
  238   2HE   LYS  26          1HE       LYS  26  13.135  -4.494  -4.494
  239   1HZ   LYS  26          1HZ       LYS  26  15.000  -5.971  -5.971
  240   2HZ   LYS  26          3HZ       LYS  26  15.828  -4.677  -4.677
  241   3HZ   LYS  26          2HZ       LYS  26  15.495  -4.651  -4.651
  242    H    GLY  27           H        GLY  27   8.558  -7.583  -7.583
  243   1HA   GLY  27          2HA       GLY  27   8.837  -9.905  -9.905
  244   2HA   GLY  27          1HA       GLY  27  10.593  -9.666  -9.666
  245    H    ARG  28           H        ARG  28   8.693  -8.026  -8.026
  246    HA   ARG  28           HA       ARG  28   8.769  -8.081  -8.081
  247   1HB   ARG  28          2HB       ARG  28   7.551 -10.246 -10.246
  248   2HB   ARG  28          1HB       ARG  28   8.983 -11.074 -11.074
  249   1HG   ARG  28          2HG       ARG  28   8.510 -10.563 -10.563
  250   2HG   ARG  28          1HG       ARG  28   7.682  -9.063  -9.063
  251   1HD   ARG  28          2HD       ARG  28   6.078 -11.005 -11.005
  252   2HD   ARG  28          1HD       ARG  28   6.564 -11.749 -11.749
  253    HE   ARG  28           HE       ARG  28   5.929  -9.076  -9.076
  254   1HH1  ARG  28          1HH2      ARG  28   4.279 -11.873 -11.873
  255   2HH1  ARG  28          2HH2      ARG  28   2.743 -11.379 -11.379
  256   1HH2  ARG  28          1HH1      ARG  28   3.922  -8.474  -8.474
  257   2HH2  ARG  28          2HH1      ARG  28   2.540  -9.475  -9.475

  Start of MODEL   17
    1   1H    GLN   1          1HT       GLN   1 -13.063   1.677   1.677
    2   2H    GLN   1          3HT       GLN   1 -12.291   1.077   1.077
    3   3H    GLN   1          2HT       GLN   1 -13.938   0.755   0.755
    4    HA   GLN   1           HA       GLN   1 -14.518   3.048   3.048
    5   1HB   GLN   1          2HB       GLN   1 -13.675   1.229   1.229
    6   2HB   GLN   1          1HB       GLN   1 -12.616   2.587   2.587
    7   1HG   GLN   1          2HG       GLN   1 -14.779   4.022   4.022
    8   2HG   GLN   1          1HG       GLN   1 -15.629   2.482   2.482
    9   1HE2  GLN   1          2HE2      GLN   1 -15.136   2.373   2.373
   10   2HE2  GLN   1          1HE2      GLN   1 -16.075   1.932   1.932
   11    H    GLN   2           H        GLN   2 -11.032   2.642   2.642
   12    HA   GLN   2           HA       GLN   2 -10.603   5.508   5.508
   13   1HB   GLN   2          2HB       GLN   2  -9.585   3.603   3.603
   14   2HB   GLN   2          1HB       GLN   2  -8.279   4.426   4.426
   15   1HG   GLN   2          2HG       GLN   2  -8.895   5.744   5.744
   16   2HG   GLN   2          1HG       GLN   2  -9.394   6.610   6.610
   17   1HE2  GLN   2          2HE2      GLN   2 -12.667   6.834   6.834
   18   2HE2  GLN   2          1HE2      GLN   2 -11.355   7.608   7.608
   19    H    TYR   3           H        TYR   3  -8.297   2.782   2.782
   20    HA   TYR   3           HA       TYR   3  -7.821   3.461   3.461
   21   1HB   TYR   3          2HB       TYR   3  -6.033   2.662   2.662
   22   2HB   TYR   3          1HB       TYR   3  -5.520   2.401   2.401
   23    HD1  TYR   3          1HD       TYR   3  -7.159   5.059   5.059
   24    HD2  TYR   3          2HD       TYR   3  -4.328   4.117   4.117
   25    HE1  TYR   3          1HE       TYR   3  -6.599   7.465   7.465
   26    HE2  TYR   3          2HE       TYR   3  -3.756   6.520   6.520
   27    HH   TYR   3           HH       TYR   3  -5.062   8.773   8.773
   28    H    THR   4           H        THR   4  -8.721   1.939   1.939
   29    HA   THR   4           HA       THR   4  -9.240  -0.788  -0.788
   30    HB   THR   4           HB       THR   4  -9.421   0.468   0.468
   31    HG1  THR   4          1HG       THR   4 -10.789   1.680   1.680
   32   1HG2  THR   4          1HG2      THR   4 -10.409  -2.062  -2.062
   33   2HG2  THR   4          3HG2      THR   4 -11.429  -1.271  -1.271
   34   3HG2  THR   4          2HG2      THR   4  -9.797  -1.783  -1.783
   35    H    ALA   5           H        ALA   5  -6.454   0.692   0.692
   36    HA   ALA   5           HA       ALA   5  -5.425  -1.230  -1.230
   37   1HB   ALA   5          1HB       ALA   5  -4.716   1.225   1.225
   38   2HB   ALA   5          3HB       ALA   5  -3.616   0.277   0.277
   39   3HB   ALA   5          2HB       ALA   5  -3.557   0.128   0.128
   40    H    LYS   6           H        LYS   6  -6.218  -3.182  -3.182
   41    HA   LYS   6           HA       LYS   6  -4.880  -3.886  -3.886
   42   1HB   LYS   6          2HB       LYS   6  -6.694  -5.066  -5.066
   43   2HB   LYS   6          1HB       LYS   6  -5.642  -6.251  -6.251
   44   1HG   LYS   6          2HG       LYS   6  -6.336  -5.141  -5.141
   45   2HG   LYS   6          1HG       LYS   6  -7.635  -4.391  -4.391
   46   1HD   LYS   6          2HD       LYS   6  -8.748  -6.373  -6.373
   47   2HD   LYS   6          1HD       LYS   6  -7.259  -7.318  -7.318
   48   1HE   LYS   6          2HE       LYS   6  -7.276  -7.713  -7.713
   49   2HE   LYS   6          1HE       LYS   6  -7.806  -6.062  -6.062
   50   1HZ   LYS   6          3HZ       LYS   6  -9.524  -8.169  -8.169
   51   2HZ   LYS   6          2HZ       LYS   6  -9.557  -7.710  -7.710
   52   3HZ   LYS   6          1HZ       LYS   6 -10.012  -6.603  -6.603
   53    H    ILE   7           H        ILE   7  -2.623  -3.398  -3.398
   54    HA   ILE   7           HA       ILE   7  -1.096  -4.409  -4.409
   55    HB   ILE   7           HB       ILE   7  -0.455  -3.917  -3.917
   56   1HG1  ILE   7          2HG1      ILE   7   0.001  -2.239  -2.239
   57   2HG1  ILE   7          1HG1      ILE   7  -1.330  -2.008  -2.008
   58   1HG2  ILE   7          1HG2      ILE   7   1.371  -4.460  -4.460
   59   2HG2  ILE   7          3HG2      ILE   7   1.913  -3.583  -3.583
   60   3HG2  ILE   7          2HG2      ILE   7   1.363  -5.250  -5.250
   61   1HD1  ILE   7          2HD1      ILE   7   1.597  -1.899  -1.899
   62   2HD1  ILE   7          1HD1      ILE   7   0.607  -0.479  -0.479
   63   3HD1  ILE   7          3HD1      ILE   7   0.220  -1.516  -1.516
   64    H    LYS   8           H        LYS   8  -0.249  -5.938  -5.938
   65    HA   LYS   8           HA       LYS   8  -0.085  -8.540  -8.540
   66   1HB   LYS   8          2HB       LYS   8   1.617  -7.676  -7.676
   67   2HB   LYS   8          1HB       LYS   8   0.396  -7.612  -7.612
   68   1HG   LYS   8          2HG       LYS   8   1.617  -9.659  -9.659
   69   2HG   LYS   8          1HG       LYS   8   0.044 -10.098 -10.098
   70   1HD   LYS   8          2HD       LYS   8   0.920 -10.680 -10.680
   71   2HD   LYS   8          1HD       LYS   8   2.269  -9.553  -9.553
   72   1HE   LYS   8          2HE       LYS   8   3.282 -11.026 -11.026
   73   2HE   LYS   8          1HE       LYS   8   1.968 -12.189 -12.189
   74   1HZ   LYS   8          2HZ       LYS   8   3.686 -11.131 -11.131
   75   2HZ   LYS   8          1HZ       LYS   8   3.996 -12.597 -12.597
   76   3HZ   LYS   8          3HZ       LYS   8   2.569 -12.407 -12.407
   77    H    GLY   9           H        GLY   9  -2.365  -6.801  -6.801
   78   1HA   GLY   9          2HA       GLY   9  -4.649  -8.129  -8.129
   79   2HA   GLY   9          1HA       GLY   9  -3.799  -9.239  -9.239
   80    H    ARG  10           H        ARG  10  -3.860  -5.685  -5.685
   81    HA   ARG  10           HA       ARG  10  -5.011  -5.541  -5.541
   82   1HB   ARG  10          2HB       ARG  10  -2.417  -5.641  -5.641
   83   2HB   ARG  10          1HB       ARG  10  -2.548  -4.014  -4.014
   84   1HG   ARG  10          2HG       ARG  10  -2.843  -3.117  -3.117
   85   2HG   ARG  10          1HG       ARG  10  -4.164  -4.229  -4.229
   86   1HD   ARG  10          2HD       ARG  10  -2.034  -5.915  -5.915
   87   2HD   ARG  10          1HD       ARG  10  -1.307  -4.385  -4.385
   88    HE   ARG  10           HE       ARG  10  -2.747  -4.402  -4.402
   89   1HH1  ARG  10          1HH2      ARG  10  -3.896  -6.645  -6.645
   90   2HH1  ARG  10          2HH2      ARG  10  -5.136  -7.274  -7.274
   91   1HH2  ARG  10          1HH1      ARG  10  -4.365  -5.247  -5.247
   92   2HH2  ARG  10          2HH1      ARG  10  -5.401  -6.495  -6.495
   93    H    THR  11           H        THR  11  -6.422  -3.820  -3.820
   94    HA   THR  11           HA       THR  11  -6.598  -1.914  -1.914
   95    HB   THR  11           HB       THR  11  -8.657  -2.972  -2.972
   96    HG1  THR  11          1HG       THR  11  -8.453  -0.237  -0.237
   97   1HG2  THR  11          3HG2      THR  11  -7.673  -1.792  -1.792
   98   2HG2  THR  11          2HG2      THR  11  -9.372  -2.184  -2.184
   99   3HG2  THR  11          1HG2      THR  11  -8.154  -3.455  -3.455
  100    H    PHE  12           H        PHE  12  -6.041   0.295   0.295
  101    HA   PHE  12           HA       PHE  12  -4.604   0.865   0.865
  102   1HB   PHE  12          2HB       PHE  12  -4.293   1.859   1.859
  103   2HB   PHE  12          1HB       PHE  12  -3.329   2.441   2.441
  104    HD1  PHE  12          2HD       PHE  12  -4.049  -0.465  -0.465
  105    HD2  PHE  12          1HD       PHE  12  -1.699   1.004   1.004
  106    HE1  PHE  12          2HE       PHE  12  -2.515  -2.401  -2.401
  107    HE2  PHE  12          1HE       PHE  12  -0.194  -0.948  -0.948
  108   1HZ   PHE  12           HZ       PHE  12  -0.603  -2.650  -2.650
  109    H    ARG  13           H        ARG  13  -4.821   2.959   2.959
  110    HA   ARG  13           HA       ARG  13  -7.475   4.174   4.174
  111   1HB   ARG  13          2HB       ARG  13  -6.058   3.722   3.722
  112   2HB   ARG  13          1HB       ARG  13  -5.155   5.164   5.164
  113   1HG   ARG  13          2HG       ARG  13  -8.089   5.496   5.496
  114   2HG   ARG  13          1HG       ARG  13  -7.434   5.183   5.183
  115   1HD   ARG  13          2HD       ARG  13  -5.704   7.019   7.019
  116   2HD   ARG  13          1HD       ARG  13  -6.749   7.459   7.459
  117    HE   ARG  13           HE       ARG  13  -7.383   7.838   7.838
  118   1HH1  ARG  13          1HH2      ARG  13  -8.699   7.370   7.370
  119   2HH1  ARG  13          2HH2      ARG  13 -10.206   8.116   8.116
  120   1HH2  ARG  13          1HH1      ARG  13  -9.349   8.792   8.792
  121   2HH2  ARG  13          2HH1      ARG  13 -10.573   8.910   8.910
  122    H    ASN  14           H        ASN  14  -4.086   5.155   5.155
  123    HA   ASN  14           HA       ASN  14  -5.066   7.361   7.361
  124   1HB   ASN  14          2HB       ASN  14  -3.244   8.742   8.742
  125   2HB   ASN  14          1HB       ASN  14  -4.332   8.189   8.189
  126   1HD2  ASN  14          2HD2      ASN  14  -1.848   6.281   6.281
  127   2HD2  ASN  14          1HD2      ASN  14  -3.478   6.754   6.754
  128    H    GLU  15           H        GLU  15  -3.155   8.118   8.118
  129    HA   GLU  15           HA       GLU  15  -2.119   5.838   5.838
  130   1HB   GLU  15          2HB       GLU  15  -2.751   8.035   8.035
  131   2HB   GLU  15          1HB       GLU  15  -1.414   8.786   8.786
  132   1HG   GLU  15          2HG       GLU  15   0.196   7.396   7.396
  133   2HG   GLU  15          1HG       GLU  15  -1.120   6.564   6.564
  134    H    LYS  16           H        LYS  16  -0.700   8.201   8.201
  135    HA   LYS  16           HA       LYS  16   2.025   7.637   7.637
  136   1HB   LYS  16          2HB       LYS  16   0.582   9.241   9.241
  137   2HB   LYS  16          1HB       LYS  16   0.751   7.946   7.946
  138   1HG   LYS  16          2HG       LYS  16   3.330   8.217   8.217
  139   2HG   LYS  16          1HG       LYS  16   2.746   9.881   9.881
  140   1HD   LYS  16          2HD       LYS  16   2.561   7.958   7.958
  141   2HD   LYS  16          1HD       LYS  16   3.834   9.164   9.164
  142   1HE   LYS  16          2HE       LYS  16   0.950  10.024  10.024
  143   2HE   LYS  16          1HE       LYS  16   1.730   9.793   9.793
  144   1HZ   LYS  16          1HZ       LYS  16   3.547  11.212  11.212
  145   2HZ   LYS  16          3HZ       LYS  16   2.790  11.451  11.451
  146   3HZ   LYS  16          2HZ       LYS  16   2.072  12.051  12.051
  147    H    GLU  17           H        GLU  17  -0.381   5.889   5.889
  148    HA   GLU  17           HA       GLU  17   1.523   3.954   3.954
  149   1HB   GLU  17          2HB       GLU  17  -1.273   4.630   4.630
  150   2HB   GLU  17          1HB       GLU  17  -1.144   2.901   2.901
  151   1HG   GLU  17          2HG       GLU  17  -1.052   3.201   3.201
  152   2HG   GLU  17          1HG       GLU  17   0.571   2.771   2.771
  153    H    LEU  18           H        LEU  18  -0.820   3.974   3.974
  154    HA   LEU  18           HA       LEU  18  -0.353   1.331   1.331
  155   1HB   LEU  18          2HB       LEU  18  -2.191   2.789   2.789
  156   2HB   LEU  18          1HB       LEU  18  -1.038   3.936   3.936
  157    HG   LEU  18           HG       LEU  18  -0.250   2.174   2.174
  158   1HD1  LEU  18          3HD1      LEU  18  -0.952   0.251   0.251
  159   2HD1  LEU  18          2HD1      LEU  18  -2.617   0.576   0.576
  160   3HD1  LEU  18          1HD1      LEU  18  -1.435   0.078   0.078
  161   1HD2  LEU  18          1HD2      LEU  18  -2.176   3.804   3.804
  162   2HD2  LEU  18          3HD2      LEU  18  -2.086   2.371   2.371
  163   3HD2  LEU  18          2HD2      LEU  18  -3.255   2.439   2.439
  164    H    ARG  19           H        ARG  19   1.502   4.297   4.297
  165    HA   ARG  19           HA       ARG  19   3.395   3.238   3.238
  166   1HB   ARG  19          2HB       ARG  19   3.036   5.795   5.795
  167   2HB   ARG  19          1HB       ARG  19   4.473   5.510   5.510
  168   1HG   ARG  19          2HG       ARG  19   2.885   4.996   4.996
  169   2HG   ARG  19          1HG       ARG  19   1.597   5.652   5.652
  170   1HD   ARG  19          2HD       ARG  19   2.173   7.683   7.683
  171   2HD   ARG  19          1HD       ARG  19   3.614   7.582   7.582
  172    HE   ARG  19           HE       ARG  19   3.887   6.097   6.097
  173   1HH1  ARG  19          1HH2      ARG  19   4.240   9.217   9.217
  174   2HH1  ARG  19          2HH2      ARG  19   5.405   9.766   9.766
  175   1HH2  ARG  19          1HH1      ARG  19   5.395   6.851   6.851
  176   2HH2  ARG  19          2HH1      ARG  19   6.053   8.444   8.444
  177    H    ASP  20           H        ASP  20   3.087   3.711   3.711
  178    HA   ASP  20           HA       ASP  20   5.916   3.004   3.004
  179   1HB   ASP  20          2HB       ASP  20   3.510   3.901   3.901
  180   2HB   ASP  20          1HB       ASP  20   4.774   3.048   3.048
  181    H    PHE  21           H        PHE  21   3.377   1.183   1.183
  182    HA   PHE  21           HA       PHE  21   3.614  -1.047  -1.047
  183   1HB   PHE  21          2HB       PHE  21   1.467  -0.378  -0.378
  184   2HB   PHE  21          1HB       PHE  21   2.169  -0.690  -0.690
  185    HD1  PHE  21          1HD       PHE  21   1.195  -2.270  -2.270
  186    HD2  PHE  21          2HD       PHE  21   2.354  -2.894  -2.894
  187    HE1  PHE  21          1HE       PHE  21   0.624  -4.666  -4.666
  188    HE2  PHE  21          2HE       PHE  21   1.779  -5.298  -5.298
  189   1HZ   PHE  21           HZ       PHE  21   0.910  -6.186  -6.186
  190    H    ILE  22           H        ILE  22   4.124  -0.509  -0.509
  191    HA   ILE  22           HA       ILE  22   5.534  -2.900  -2.900
  192    HB   ILE  22           HB       ILE  22   5.705  -0.136  -0.136
  193   1HG1  ILE  22          2HG1      ILE  22   4.143  -2.604  -2.604
  194   2HG1  ILE  22          1HG1      ILE  22   3.459  -1.210  -1.210
  195   1HG2  ILE  22          1HG2      ILE  22   7.658  -1.620  -1.620
  196   2HG2  ILE  22          3HG2      ILE  22   6.508  -2.783  -2.783
  197   3HG2  ILE  22          2HG2      ILE  22   6.665  -1.186  -1.186
  198   1HD1  ILE  22          1HD1      ILE  22   4.105   0.240   0.240
  199   2HD1  ILE  22          3HD1      ILE  22   4.779  -1.158  -1.158
  200   3HD1  ILE  22          2HD1      ILE  22   3.045  -1.066  -1.066
  201    H    GLU  23           H        GLU  23   6.583   0.124   0.124
  202    HA   GLU  23           HA       GLU  23   9.412  -0.275  -0.275
  203   1HB   GLU  23          2HB       GLU  23   8.153   1.836   1.836
  204   2HB   GLU  23          1HB       GLU  23   7.818   1.106   1.106
  205   1HG   GLU  23          2HG       GLU  23   9.987   1.326   1.326
  206   2HG   GLU  23          1HG       GLU  23  10.656   1.102   1.102
  207    H    LYS  24           H        LYS  24   6.965  -1.177  -1.177
  208    HA   LYS  24           HA       LYS  24   8.936  -2.748  -2.748
  209   1HB   LYS  24          2HB       LYS  24   7.254  -1.239  -1.239
  210   2HB   LYS  24          1HB       LYS  24   5.962  -2.210  -2.210
  211   1HG   LYS  24          2HG       LYS  24   6.073  -3.634  -3.634
  212   2HG   LYS  24          1HG       LYS  24   7.752  -3.999  -3.999
  213   1HD   LYS  24          2HD       LYS  24   8.054  -3.149  -3.149
  214   2HD   LYS  24          1HD       LYS  24   8.156  -1.646  -1.646
  215   1HE   LYS  24          2HE       LYS  24   5.710  -1.284  -1.284
  216   2HE   LYS  24          1HE       LYS  24   5.688  -2.735  -2.735
  217   1HZ   LYS  24          3HZ       LYS  24   7.552  -1.721  -1.721
  218   2HZ   LYS  24          2HZ       LYS  24   7.323  -0.285  -0.285
  219   3HZ   LYS  24          1HZ       LYS  24   6.093  -0.869  -0.869
  220    H    PHE  25           H        PHE  25   7.593  -3.363  -3.363
  221    HA   PHE  25           HA       PHE  25   6.955  -6.204  -6.204
  222   1HB   PHE  25          2HB       PHE  25   4.857  -5.110  -5.110
  223   2HB   PHE  25          1HB       PHE  25   5.489  -4.092  -4.092
  224    HD1  PHE  25          2HD       PHE  25   5.202  -7.739  -7.739
  225    HD2  PHE  25          1HD       PHE  25   4.833  -4.610  -4.610
  226    HE1  PHE  25          2HE       PHE  25   4.473  -9.398  -9.398
  227    HE2  PHE  25          1HE       PHE  25   4.093  -6.285  -6.285
  228   1HZ   PHE  25           HZ       PHE  25   3.911  -8.680  -8.680
  229    H    LYS  26           H        LYS  26   6.920  -4.457  -4.457
  230    HA   LYS  26           HA       LYS  26   8.156  -4.796  -4.796
  231   1HB   LYS  26          2HB       LYS  26   9.804  -4.047  -4.047
  232   2HB   LYS  26          1HB       LYS  26  10.660  -5.391  -5.391
  233   1HG   LYS  26          2HG       LYS  26  10.411  -4.254  -4.254
  234   2HG   LYS  26          1HG       LYS  26   9.685  -2.875  -2.875
  235   1HD   LYS  26          2HD       LYS  26  11.926  -2.226  -2.226
  236   2HD   LYS  26          1HD       LYS  26  11.854  -2.974  -2.974
  237   1HE   LYS  26          2HE       LYS  26  12.510  -5.173  -5.173
  238   2HE   LYS  26          1HE       LYS  26  13.027  -4.089  -4.089
  239   1HZ   LYS  26          2HZ       LYS  26  14.253  -2.793  -2.793
  240   2HZ   LYS  26          1HZ       LYS  26  13.891  -3.999  -3.999
  241   3HZ   LYS  26          3HZ       LYS  26  14.856  -4.369  -4.369
  242    H    GLY  27           H        GLY  27   6.871  -7.063  -7.063
  243   1HA   GLY  27          2HA       GLY  27   6.744  -9.344  -9.344
  244   2HA   GLY  27          1HA       GLY  27   8.411  -9.254  -9.254
  245    H    ARG  28           H        ARG  28   7.365  -8.033  -8.033
  246    HA   ARG  28           HA       ARG  28   8.112  -8.467  -8.467
  247   1HB   ARG  28          2HB       ARG  28   6.520 -10.358 -10.358
  248   2HB   ARG  28          1HB       ARG  28   7.950 -11.340 -11.340
  249   1HG   ARG  28          2HG       ARG  28   8.721 -10.893 -10.893
  250   2HG   ARG  28          1HG       ARG  28   7.204 -10.045 -10.045
  251   1HD   ARG  28          2HD       ARG  28   5.928 -12.089 -12.089
  252   2HD   ARG  28          1HD       ARG  28   7.431 -12.955 -12.955
  253    HE   ARG  28           HE       ARG  28   7.475 -11.653 -11.653
  254   1HH1  ARG  28          1HH2      ARG  28   6.586 -14.545 -14.545
  255   2HH1  ARG  28          2HH2      ARG  28   6.679 -15.547 -15.547
  256   1HH2  ARG  28          1HH1      ARG  28   7.581 -12.987 -12.987
  257   2HH2  ARG  28          2HH1      ARG  28   7.235 -14.677 -14.677

  Start of MODEL   18
    1   1H    GLN   1          1HT       GLN   1 -11.960   5.019   5.019
    2   2H    GLN   1          3HT       GLN   1 -13.583   5.497   5.497
    3   3H    GLN   1          2HT       GLN   1 -12.618   5.418   5.418
    4    HA   GLN   1           HA       GLN   1 -12.851   7.718   7.718
    5   1HB   GLN   1          2HB       GLN   1 -12.645   6.405   6.405
    6   2HB   GLN   1          1HB       GLN   1 -11.524   7.763   7.763
    7   1HG   GLN   1          2HG       GLN   1 -13.705   8.916   8.916
    8   2HG   GLN   1          1HG       GLN   1 -14.497   7.756   7.756
    9   1HE2  GLN   1          2HE2      GLN   1 -13.536   9.428   9.428
   10   2HE2  GLN   1          1HE2      GLN   1 -14.205   8.015   8.015
   11    H    GLN   2           H        GLN   2 -10.139   6.104   6.104
   12    HA   GLN   2           HA       GLN   2  -8.211   7.725   7.725
   13   1HB   GLN   2          2HB       GLN   2  -8.389   6.399   6.399
   14   2HB   GLN   2          1HB       GLN   2  -6.845   6.114   6.114
   15   1HG   GLN   2          2HG       GLN   2  -6.525   8.129   8.129
   16   2HG   GLN   2          1HG       GLN   2  -6.806   8.654   8.654
   17   1HE2  GLN   2          2HE2      GLN   2  -9.301  10.794  10.794
   18   2HE2  GLN   2          1HE2      GLN   2  -7.812  10.683  10.683
   19    H    TYR   3           H        TYR   3  -7.761   4.381   4.381
   20    HA   TYR   3           HA       TYR   3  -7.385   3.493   3.493
   21   1HB   TYR   3          2HB       TYR   3  -5.484   3.577   3.577
   22   2HB   TYR   3          1HB       TYR   3  -5.404   2.174   2.174
   23    HD1  TYR   3          1HD       TYR   3  -5.438   5.901   5.901
   24    HD2  TYR   3          2HD       TYR   3  -4.371   2.313   2.313
   25    HE1  TYR   3          1HE       TYR   3  -4.259   7.258   7.258
   26    HE2  TYR   3          2HE       TYR   3  -3.181   3.667   3.667
   27    HH   TYR   3           HH       TYR   3  -2.074   5.992   5.992
   28    H    THR   4           H        THR   4  -9.199   2.200   2.200
   29    HA   THR   4           HA       THR   4  -9.647   0.243   0.243
   30    HB   THR   4           HB       THR   4 -11.249   0.907   0.907
   31    HG1  THR   4          1HG       THR   4 -12.486   2.133   2.133
   32   1HG2  THR   4          3HG2      THR   4 -11.990  -0.539  -0.539
   33   2HG2  THR   4          2HG2      THR   4 -13.106  -0.138  -0.138
   34   3HG2  THR   4          1HG2      THR   4 -11.794  -1.282  -1.282
   35    H    ALA   5           H        ALA   5  -8.146   0.368   0.368
   36    HA   ALA   5           HA       ALA   5  -8.699  -2.162  -2.162
   37   1HB   ALA   5          1HB       ALA   5  -7.212  -0.011  -0.011
   38   2HB   ALA   5          3HB       ALA   5  -5.925  -1.087  -1.087
   39   3HB   ALA   5          2HB       ALA   5  -6.991  -1.579  -1.579
   40    H    LYS   6           H        LYS   6  -6.795  -3.884  -3.884
   41    HA   LYS   6           HA       LYS   6  -5.614  -4.329  -4.329
   42   1HB   LYS   6          2HB       LYS   6  -6.438  -6.681  -6.681
   43   2HB   LYS   6          1HB       LYS   6  -7.757  -5.513  -5.513
   44   1HG   LYS   6          2HG       LYS   6  -7.011  -5.878  -5.878
   45   2HG   LYS   6          1HG       LYS   6  -7.132  -7.482  -7.482
   46   1HD   LYS   6          2HD       LYS   6  -9.344  -7.154  -7.154
   47   2HD   LYS   6          1HD       LYS   6  -9.366  -6.461  -6.461
   48   1HE   LYS   6          2HE       LYS   6  -9.456  -4.270  -4.270
   49   2HE   LYS   6          1HE       LYS   6  -8.664  -4.685  -4.685
   50   1HZ   LYS   6          2HZ       LYS   6 -10.609  -5.978  -5.978
   51   2HZ   LYS   6          1HZ       LYS   6 -11.378  -5.565  -5.565
   52   3HZ   LYS   6          3HZ       LYS   6 -11.046  -4.366  -4.366
   53    H    ILE   7           H        ILE   7  -3.662  -3.630  -3.630
   54    HA   ILE   7           HA       ILE   7  -2.593  -4.925  -4.925
   55    HB   ILE   7           HB       ILE   7  -1.318  -3.704  -3.704
   56   1HG1  ILE   7          2HG1      ILE   7  -1.495  -2.454  -2.454
   57   2HG1  ILE   7          1HG1      ILE   7  -2.914  -2.444  -2.444
   58   1HG2  ILE   7          3HG2      ILE   7  -0.072  -4.322  -4.322
   59   2HG2  ILE   7          2HG2      ILE   7   0.701  -3.412  -3.412
   60   3HG2  ILE   7          1HG2      ILE   7   0.325  -5.120  -5.120
   61   1HD1  ILE   7          2HD1      ILE   7  -0.300  -1.628  -1.628
   62   2HD1  ILE   7          1HD1      ILE   7  -1.100  -0.491  -0.491
   63   3HD1  ILE   7          3HD1      ILE   7  -1.928  -1.058  -1.058
   64    H    LYS   8           H        LYS   8  -1.064  -5.533  -5.533
   65    HA   LYS   8           HA       LYS   8  -0.550  -8.296  -8.296
   66   1HB   LYS   8          2HB       LYS   8   0.861  -6.373  -6.373
   67   2HB   LYS   8          1HB       LYS   8   0.245  -7.299  -7.299
   68   1HG   LYS   8          2HG       LYS   8   1.590  -8.612  -8.612
   69   2HG   LYS   8          1HG       LYS   8   2.493  -8.064  -8.064
   70   1HD   LYS   8          2HD       LYS   8   0.308  -9.507  -9.507
   71   2HD   LYS   8          1HD       LYS   8   0.875 -10.459 -10.459
   72   1HE   LYS   8          2HE       LYS   8   3.059 -10.687 -10.687
   73   2HE   LYS   8          1HE       LYS   8   2.791  -9.375  -9.375
   74   1HZ   LYS   8          2HZ       LYS   8   0.954 -10.713 -10.713
   75   2HZ   LYS   8          1HZ       LYS   8   1.400 -12.000 -12.000
   76   3HZ   LYS   8          3HZ       LYS   8   2.470 -11.456 -11.456
   77    H    GLY   9           H        GLY   9  -2.631  -6.502  -6.502
   78   1HA   GLY   9          2HA       GLY   9  -4.695  -8.070  -8.070
   79   2HA   GLY   9          1HA       GLY   9  -3.480  -8.989  -8.989
   80    H    ARG  10           H        ARG  10  -3.979  -5.467  -5.467
   81    HA   ARG  10           HA       ARG  10  -4.784  -5.238  -5.238
   82   1HB   ARG  10          2HB       ARG  10  -2.774  -3.572  -3.572
   83   2HB   ARG  10          1HB       ARG  10  -2.471  -5.304  -5.304
   84   1HG   ARG  10          2HG       ARG  10  -2.238  -4.309  -4.309
   85   2HG   ARG  10          1HG       ARG  10  -1.077  -3.589  -3.589
   86   1HD   ARG  10          2HD       ARG  10  -1.521  -6.581  -6.581
   87   2HD   ARG  10          1HD       ARG  10  -0.346  -5.776  -5.776
   88    HE   ARG  10           HE       ARG  10   0.211  -4.717  -4.717
   89   1HH1  ARG  10          1HH2      ARG  10  -0.035  -7.970  -7.970
   90   2HH1  ARG  10          2HH2      ARG  10   1.079  -8.609  -8.609
   91   1HH2  ARG  10          1HH1      ARG  10   1.644  -5.587  -5.587
   92   2HH2  ARG  10          2HH1      ARG  10   2.019  -7.278  -7.278
   93    H    THR  11           H        THR  11  -6.633  -4.024  -4.024
   94    HA   THR  11           HA       THR  11  -6.564  -1.876  -1.876
   95    HB   THR  11           HB       THR  11  -8.630  -2.923  -2.923
   96    HG1  THR  11          1HG       THR  11  -9.762  -1.053  -1.053
   97   1HG2  THR  11          2HG2      THR  11  -7.397  -2.757  -2.757
   98   2HG2  THR  11          1HG2      THR  11  -8.577  -1.451  -1.451
   99   3HG2  THR  11          3HG2      THR  11  -9.111  -3.096  -3.096
  100    H    PHE  12           H        PHE  12  -5.613   0.080   0.080
  101    HA   PHE  12           HA       PHE  12  -4.248   0.768   0.768
  102   1HB   PHE  12          2HB       PHE  12  -4.122   1.995   1.995
  103   2HB   PHE  12          1HB       PHE  12  -2.965   2.237   2.237
  104    HD1  PHE  12          2HD       PHE  12  -4.268  -0.162  -0.162
  105    HD2  PHE  12          1HD       PHE  12  -1.406   0.459   0.459
  106    HE1  PHE  12          2HE       PHE  12  -3.016  -2.169  -2.169
  107    HE2  PHE  12          1HE       PHE  12  -0.173  -1.543  -1.543
  108   1HZ   PHE  12           HZ       PHE  12  -0.967  -2.866  -2.866
  109    H    ARG  13           H        ARG  13  -4.867   2.438   2.438
  110    HA   ARG  13           HA       ARG  13  -7.380   3.809   3.809
  111   1HB   ARG  13          2HB       ARG  13  -6.037   3.149   3.149
  112   2HB   ARG  13          1HB       ARG  13  -5.157   4.652   4.652
  113   1HG   ARG  13          2HG       ARG  13  -8.157   4.691   4.691
  114   2HG   ARG  13          1HG       ARG  13  -7.311   4.648   4.648
  115   1HD   ARG  13          2HD       ARG  13  -5.913   6.598   6.598
  116   2HD   ARG  13          1HD       ARG  13  -7.598   6.875   6.875
  117    HE   ARG  13           HE       ARG  13  -8.112   7.433   7.433
  118   1HH1  ARG  13          1HH2      ARG  13  -4.984   5.873   5.873
  119   2HH1  ARG  13          2HH2      ARG  13  -4.613   6.214   6.214
  120   1HH2  ARG  13          1HH1      ARG  13  -7.589   7.852   7.852
  121   2HH2  ARG  13          2HH1      ARG  13  -6.071   7.321   7.321
  122    H    ASN  14           H        ASN  14  -4.241   4.469   4.469
  123    HA   ASN  14           HA       ASN  14  -5.107   6.895   6.895
  124   1HB   ASN  14          2HB       ASN  14  -3.270   8.277   8.277
  125   2HB   ASN  14          1HB       ASN  14  -4.851   8.069   8.069
  126   1HD2  ASN  14          2HD2      ASN  14  -2.223   5.406   5.406
  127   2HD2  ASN  14          1HD2      ASN  14  -2.578   5.339   5.339
  128    H    GLU  15           H        GLU  15  -3.306   7.883   7.883
  129    HA   GLU  15           HA       GLU  15  -1.823   6.004   6.004
  130   1HB   GLU  15          2HB       GLU  15  -2.382   8.664   8.664
  131   2HB   GLU  15          1HB       GLU  15  -0.662   8.702   8.702
  132   1HG   GLU  15          2HG       GLU  15  -0.146   7.324   7.324
  133   2HG   GLU  15          1HG       GLU  15  -1.864   7.095   7.095
  134    H    LYS  16           H        LYS  16  -0.757   7.992   7.992
  135    HA   LYS  16           HA       LYS  16   1.972   7.487   7.487
  136   1HB   LYS  16          2HB       LYS  16   0.557   8.907   8.907
  137   2HB   LYS  16          1HB       LYS  16   0.030   7.438   7.438
  138   1HG   LYS  16          2HG       LYS  16   2.500   6.931   6.931
  139   2HG   LYS  16          1HG       LYS  16   2.828   8.581   8.581
  140   1HD   LYS  16          2HD       LYS  16   1.028   9.260   9.260
  141   2HD   LYS  16          1HD       LYS  16   1.306   7.653   7.653
  142   1HE   LYS  16          2HE       LYS  16   3.397   8.200   8.200
  143   2HE   LYS  16          1HE       LYS  16   3.746   9.240   9.240
  144   1HZ   LYS  16          2HZ       LYS  16   1.723   9.915   9.915
  145   2HZ   LYS  16          1HZ       LYS  16   3.332  10.457  10.457
  146   3HZ   LYS  16          3HZ       LYS  16   2.340  10.927  10.927
  147    H    GLU  17           H        GLU  17  -0.582   5.343   5.343
  148    HA   GLU  17           HA       GLU  17   1.252   3.320   3.320
  149   1HB   GLU  17          2HB       GLU  17  -1.672   3.607   3.607
  150   2HB   GLU  17          1HB       GLU  17  -1.046   1.967   1.967
  151   1HG   GLU  17          2HG       GLU  17  -0.034   2.535   2.535
  152   2HG   GLU  17          1HG       GLU  17  -0.731   4.151   4.151
  153    H    LEU  18           H        LEU  18  -0.533   3.805   3.805
  154    HA   LEU  18           HA       LEU  18   0.204   1.396   1.396
  155   1HB   LEU  18          2HB       LEU  18  -1.386   3.444   3.444
  156   2HB   LEU  18          1HB       LEU  18   0.050   4.075   4.075
  157    HG   LEU  18           HG       LEU  18   0.084   1.565   1.565
  158   1HD1  LEU  18          2HD1      LEU  18  -2.690   2.106   2.106
  159   2HD1  LEU  18          1HD1      LEU  18  -2.504   1.322   1.322
  160   3HD1  LEU  18          3HD1      LEU  18  -1.822   0.578   0.578
  161   1HD2  LEU  18          1HD2      LEU  18  -1.222   4.098   4.098
  162   2HD2  LEU  18          3HD2      LEU  18   0.134   3.224   3.224
  163   3HD2  LEU  18          2HD2      LEU  18  -1.514   2.642   2.642
  164    H    ARG  19           H        ARG  19   1.961   4.323   4.323
  165    HA   ARG  19           HA       ARG  19   4.253   3.631   3.631
  166   1HB   ARG  19          2HB       ARG  19   3.359   5.932   5.932
  167   2HB   ARG  19          1HB       ARG  19   3.613   5.966   5.966
  168   1HG   ARG  19          2HG       ARG  19   5.610   6.920   6.920
  169   2HG   ARG  19          1HG       ARG  19   6.107   5.255   5.255
  170   1HD   ARG  19          2HD       ARG  19   5.437   5.493   5.493
  171   2HD   ARG  19          1HD       ARG  19   5.022   7.191   7.191
  172    HE   ARG  19           HE       ARG  19   7.710   6.465   6.465
  173   1HH1  ARG  19          1HH2      ARG  19   5.787   7.595   7.595
  174   2HH1  ARG  19          2HH2      ARG  19   7.133   8.364   8.364
  175   1HH2  ARG  19          1HH1      ARG  19   9.419   7.472   7.472
  176   2HH2  ARG  19          2HH1      ARG  19   9.169   8.294   8.294
  177    H    ASP  20           H        ASP  20   3.216   3.476   3.476
  178    HA   ASP  20           HA       ASP  20   5.983   3.032   3.032
  179   1HB   ASP  20          2HB       ASP  20   3.265   3.558   3.558
  180   2HB   ASP  20          1HB       ASP  20   4.459   2.771   2.771
  181    H    PHE  21           H        PHE  21   3.258   1.150   1.150
  182    HA   PHE  21           HA       PHE  21   3.888  -1.224  -1.224
  183   1HB   PHE  21          2HB       PHE  21   1.614  -1.009  -1.009
  184   2HB   PHE  21          1HB       PHE  21   2.052  -0.510  -0.510
  185    HD1  PHE  21          1HD       PHE  21   3.407  -3.390  -3.390
  186    HD2  PHE  21          2HD       PHE  21   0.985  -2.120  -2.120
  187    HE1  PHE  21          1HE       PHE  21   3.307  -5.715  -5.715
  188    HE2  PHE  21          2HE       PHE  21   0.875  -4.468  -4.468
  189   1HZ   PHE  21           HZ       PHE  21   2.036  -6.269  -6.269
  190    H    ILE  22           H        ILE  22   4.324  -0.180  -0.180
  191    HA   ILE  22           HA       ILE  22   5.710  -2.507  -2.507
  192    HB   ILE  22           HB       ILE  22   5.928   0.350   0.350
  193   1HG1  ILE  22          2HG1      ILE  22   3.603  -0.456  -0.456
  194   2HG1  ILE  22          1HG1      ILE  22   4.203  -0.328  -0.328
  195   1HG2  ILE  22          1HG2      ILE  22   7.559  -1.695  -1.695
  196   2HG2  ILE  22          3HG2      ILE  22   6.244  -1.907  -1.907
  197   3HG2  ILE  22          2HG2      ILE  22   7.110  -0.375  -0.375
  198   1HD1  ILE  22          3HD1      ILE  22   4.768  -2.788  -2.788
  199   2HD1  ILE  22          2HD1      ILE  22   3.936  -2.854  -2.854
  200   3HD1  ILE  22          1HD1      ILE  22   3.041  -2.438  -2.438
  201    H    GLU  23           H        GLU  23   6.741   0.359   0.359
  202    HA   GLU  23           HA       GLU  23   9.573   0.097   0.097
  203   1HB   GLU  23          2HB       GLU  23   8.386   2.102   2.102
  204   2HB   GLU  23          1HB       GLU  23   7.896   1.189   1.189
  205   1HG   GLU  23          2HG       GLU  23  10.591   0.761   0.761
  206   2HG   GLU  23          1HG       GLU  23  10.522   2.380   2.380
  207    H    LYS  24           H        LYS  24   7.268  -1.113  -1.113
  208    HA   LYS  24           HA       LYS  24   9.336  -2.746  -2.746
  209   1HB   LYS  24          2HB       LYS  24   7.602  -1.479  -1.479
  210   2HB   LYS  24          1HB       LYS  24   6.342  -2.395  -2.395
  211   1HG   LYS  24          2HG       LYS  24   8.346  -4.137  -4.137
  212   2HG   LYS  24          1HG       LYS  24   7.552  -3.090  -3.090
  213   1HD   LYS  24          2HD       LYS  24   5.735  -4.321  -4.321
  214   2HD   LYS  24          1HD       LYS  24   6.514  -5.461  -5.461
  215   1HE   LYS  24          2HE       LYS  24   4.536  -4.812  -4.812
  216   2HE   LYS  24          1HE       LYS  24   5.797  -3.794  -3.794
  217   1HZ   LYS  24          2HZ       LYS  24   4.188  -2.993  -2.993
  218   2HZ   LYS  24          1HZ       LYS  24   3.799  -2.542  -2.542
  219   3HZ   LYS  24          3HZ       LYS  24   5.255  -2.021  -2.021
  220    H    PHE  25           H        PHE  25   7.804  -3.131  -3.131
  221    HA   PHE  25           HA       PHE  25   6.847  -5.920  -5.920
  222   1HB   PHE  25          2HB       PHE  25   5.506  -4.301  -4.301
  223   2HB   PHE  25          1HB       PHE  25   6.893  -3.825  -3.825
  224    HD1  PHE  25          1HD       PHE  25   5.940  -7.329  -7.329
  225    HD2  PHE  25          2HD       PHE  25   6.065  -4.218  -4.218
  226    HE1  PHE  25          1HE       PHE  25   5.321  -8.976  -8.976
  227    HE2  PHE  25          2HE       PHE  25   5.451  -5.870  -5.870
  228   1HZ   PHE  25           HZ       PHE  25   5.079  -8.249  -8.249
  229    H    LYS  26           H        LYS  26   9.819  -4.487  -4.487
  230    HA   LYS  26           HA       LYS  26  11.887  -5.300  -5.300
  231   1HB   LYS  26          2HB       LYS  26  10.626  -7.456  -7.456
  232   2HB   LYS  26          1HB       LYS  26  10.617  -7.916  -7.916
  233   1HG   LYS  26          2HG       LYS  26  12.937  -8.030  -8.030
  234   2HG   LYS  26          1HG       LYS  26  13.165  -6.903  -6.903
  235   1HD   LYS  26          2HD       LYS  26  12.906  -8.533  -8.533
  236   2HD   LYS  26          1HD       LYS  26  11.788  -9.475  -9.475
  237   1HE   LYS  26          2HE       LYS  26  13.866 -10.724 -10.724
  238   2HE   LYS  26          1HE       LYS  26  13.776 -10.036 -10.036
  239   1HZ   LYS  26          2HZ       LYS  26  15.031  -8.111  -8.111
  240   2HZ   LYS  26          1HZ       LYS  26  15.182  -8.838  -8.838
  241   3HZ   LYS  26          3HZ       LYS  26  15.922  -9.547  -9.547
  242    H    GLY  27           H        GLY  27   9.907  -4.007  -4.007
  243   1HA   GLY  27          2HA       GLY  27  11.103  -4.611  -4.611
  244   2HA   GLY  27          1HA       GLY  27   9.391  -5.024  -5.024
  245    H    ARG  28           H        ARG  28  11.148  -2.324  -2.324
  246    HA   ARG  28           HA       ARG  28   9.160  -0.361  -0.361
  247   1HB   ARG  28          2HB       ARG  28  11.162  -0.207  -0.207
  248   2HB   ARG  28          1HB       ARG  28  12.184  -0.062  -0.062
  249   1HG   ARG  28          2HG       ARG  28  10.884   1.988   1.988
  250   2HG   ARG  28          1HG       ARG  28  10.034   1.878   1.878
  251   1HD   ARG  28          2HD       ARG  28  12.159   2.098   2.098
  252   2HD   ARG  28          1HD       ARG  28  13.045   2.154   2.154
  253    HE   ARG  28           HE       ARG  28  11.468   4.328   4.328
  254   1HH1  ARG  28          1HH2      ARG  28  12.614   2.875   2.875
  255   2HH1  ARG  28          2HH2      ARG  28  12.518   4.358   4.358
  256   1HH2  ARG  28          1HH1      ARG  28  11.358   6.226   6.226
  257   2HH2  ARG  28          2HH1      ARG  28  11.816   6.237   6.237

  Start of MODEL   19
    1   1H    GLN   1          1HT       GLN   1 -15.344   2.739   2.739
    2   2H    GLN   1          3HT       GLN   1 -15.483   1.054   1.054
    3   3H    GLN   1          2HT       GLN   1 -14.225   1.864   1.864
    4    HA   GLN   1           HA       GLN   1 -13.380   0.766   0.766
    5   1HB   GLN   1          2HB       GLN   1 -15.800   1.093   1.093
    6   2HB   GLN   1          1HB       GLN   1 -15.162   2.625   2.625
    7   1HG   GLN   1          2HG       GLN   1 -13.386   1.469   1.469
    8   2HG   GLN   1          1HG       GLN   1 -13.898  -0.080  -0.080
    9   1HE2  GLN   1          2HE2      GLN   1 -15.860  -0.492  -0.492
   10   2HE2  GLN   1          1HE2      GLN   1 -14.574  -1.080  -1.080
   11    H    GLN   2           H        GLN   2 -11.420   1.792   1.792
   12    HA   GLN   2           HA       GLN   2 -11.247   4.753   4.753
   13   1HB   GLN   2          2HB       GLN   2  -9.405   2.562   2.562
   14   2HB   GLN   2          1HB       GLN   2  -8.913   4.252   4.252
   15   1HG   GLN   2          2HG       GLN   2  -9.708   4.258   4.258
   16   2HG   GLN   2          1HG       GLN   2 -11.220   4.597   4.597
   17   1HE2  GLN   2          2HE2      GLN   2 -12.442   1.820   1.820
   18   2HE2  GLN   2          1HE2      GLN   2 -12.417   3.514   3.514
   19    H    TYR   3           H        TYR   3  -8.811   2.307   2.307
   20    HA   TYR   3           HA       TYR   3  -8.670   3.581   3.581
   21   1HB   TYR   3          2HB       TYR   3  -6.646   2.507   2.507
   22   2HB   TYR   3          1HB       TYR   3  -6.259   2.575   2.575
   23    HD1  TYR   3          1HD       TYR   3  -7.897   4.738   4.738
   24    HD2  TYR   3          2HD       TYR   3  -5.208   4.514   4.514
   25    HE1  TYR   3          1HE       TYR   3  -7.485   7.172   7.172
   26    HE2  TYR   3          2HE       TYR   3  -4.780   6.943   6.943
   27    HH   TYR   3           HH       TYR   3  -6.256   9.000   9.000
   28    H    THR   4           H        THR   4  -9.310   2.270   2.270
   29    HA   THR   4           HA       THR   4  -9.896  -0.538  -0.538
   30    HB   THR   4           HB       THR   4  -9.545   0.920   0.920
   31    HG1  THR   4          1HG       THR   4 -11.645   1.098   1.098
   32   1HG2  THR   4          3HG2      THR   4 -10.896  -1.523  -1.523
   33   2HG2  THR   4          2HG2      THR   4 -11.868  -0.515  -0.515
   34   3HG2  THR   4          1HG2      THR   4 -10.304  -1.123  -1.123
   35    H    ALA   5           H        ALA   5  -6.952   1.063   1.063
   36    HA   ALA   5           HA       ALA   5  -5.593  -0.606  -0.606
   37   1HB   ALA   5          2HB       ALA   5  -5.051   1.608   1.608
   38   2HB   ALA   5          1HB       ALA   5  -4.069   0.388   0.388
   39   3HB   ALA   5          3HB       ALA   5  -3.830   0.711   0.711
   40    H    LYS   6           H        LYS   6  -6.305  -2.811  -2.811
   41    HA   LYS   6           HA       LYS   6  -5.445  -3.932  -3.932
   42   1HB   LYS   6          2HB       LYS   6  -6.682  -5.917  -5.917
   43   2HB   LYS   6          1HB       LYS   6  -7.665  -4.460  -4.460
   44   1HG   LYS   6          2HG       LYS   6  -6.213  -4.636  -4.636
   45   2HG   LYS   6          1HG       LYS   6  -6.822  -6.257  -6.257
   46   1HD   LYS   6          2HD       LYS   6  -9.047  -5.590  -5.590
   47   2HD   LYS   6          1HD       LYS   6  -8.671  -3.920  -3.920
   48   1HE   LYS   6          2HE       LYS   6  -7.486  -4.886  -4.886
   49   2HE   LYS   6          1HE       LYS   6  -9.248  -4.677  -4.677
   50   1HZ   LYS   6          2HZ       LYS   6  -8.852  -2.486  -2.486
   51   2HZ   LYS   6          1HZ       LYS   6  -7.193  -2.679  -2.679
   52   3HZ   LYS   6          3HZ       LYS   6  -8.293  -2.572  -2.572
   53    H    ILE   7           H        ILE   7  -3.164  -3.228  -3.228
   54    HA   ILE   7           HA       ILE   7  -1.888  -4.634  -4.634
   55    HB   ILE   7           HB       ILE   7  -0.842  -2.793  -2.793
   56   1HG1  ILE   7          2HG1      ILE   7   0.815  -5.130  -5.130
   57   2HG1  ILE   7          1HG1      ILE   7   0.711  -4.625  -4.625
   58   1HG2  ILE   7          1HG2      ILE   7  -1.709  -3.996  -3.996
   59   2HG2  ILE   7          3HG2      ILE   7  -0.003  -3.562  -3.562
   60   3HG2  ILE   7          2HG2      ILE   7  -1.201  -2.337  -2.337
   61   1HD1  ILE   7          2HD1      ILE   7   1.413  -2.649  -2.649
   62   2HD1  ILE   7          1HD1      ILE   7   2.652  -3.679  -3.679
   63   3HD1  ILE   7          3HD1      ILE   7   1.745  -2.554  -2.554
   64    H    LYS   8           H        LYS   8  -0.649  -5.648  -5.648
   65    HA   LYS   8           HA       LYS   8  -0.305  -8.345  -8.345
   66   1HB   LYS   8          2HB       LYS   8   0.545  -6.737  -6.737
   67   2HB   LYS   8          1HB       LYS   8  -0.622  -7.725  -7.725
   68   1HG   LYS   8          2HG       LYS   8   1.288  -9.113  -9.113
   69   2HG   LYS   8          1HG       LYS   8   1.915  -8.506  -8.506
   70   1HD   LYS   8          2HD       LYS   8  -0.010  -9.691  -9.691
   71   2HD   LYS   8          1HD       LYS   8  -0.371 -10.451 -10.451
   72   1HE   LYS   8          2HE       LYS   8   2.234 -11.047 -11.047
   73   2HE   LYS   8          1HE       LYS   8   1.942 -10.914 -10.914
   74   1HZ   LYS   8          3HZ       LYS   8   0.235 -12.471 -12.471
   75   2HZ   LYS   8          2HZ       LYS   8   1.450 -13.154 -13.154
   76   3HZ   LYS   8          1HZ       LYS   8   0.101 -12.413 -12.413
   77    H    GLY   9           H        GLY   9  -3.060  -6.645  -6.645
   78   1HA   GLY   9          2HA       GLY   9  -5.214  -7.965  -7.965
   79   2HA   GLY   9          1HA       GLY   9  -4.483  -9.229  -9.229
   80    H    ARG  10           H        ARG  10  -4.511  -5.694  -5.694
   81    HA   ARG  10           HA       ARG  10  -6.266  -6.059  -6.059
   82   1HB   ARG  10          2HB       ARG  10  -4.537  -4.588  -4.588
   83   2HB   ARG  10          1HB       ARG  10  -4.197  -6.306  -6.306
   84   1HG   ARG  10          2HG       ARG  10  -3.025  -5.140  -5.140
   85   2HG   ARG  10          1HG       ARG  10  -2.703  -3.987  -3.987
   86   1HD   ARG  10          2HD       ARG  10  -0.905  -5.690  -5.690
   87   2HD   ARG  10          1HD       ARG  10  -1.771  -5.811  -5.811
   88    HE   ARG  10           HE       ARG  10  -2.918  -7.459  -7.459
   89   1HH1  ARG  10          1HH2      ARG  10  -0.577  -7.321  -7.321
   90   2HH1  ARG  10          2HH2      ARG  10  -0.554  -9.037  -9.037
   91   1HH2  ARG  10          1HH1      ARG  10  -2.854  -9.675  -9.675
   92   2HH2  ARG  10          2HH1      ARG  10  -1.825 -10.356 -10.356
   93    H    THR  11           H        THR  11  -7.293  -4.153  -4.153
   94    HA   THR  11           HA       THR  11  -7.515  -2.011  -2.011
   95    HB   THR  11           HB       THR  11  -8.756  -2.271  -2.271
   96    HG1  THR  11          1HG       THR  11  -9.620  -3.989  -3.989
   97   1HG2  THR  11          3HG2      THR  11  -8.851  -0.129  -0.129
   98   2HG2  THR  11          2HG2      THR  11 -10.085  -1.068  -1.068
   99   3HG2  THR  11          1HG2      THR  11 -10.286  -0.674  -0.674
  100    H    PHE  12           H        PHE  12  -6.638   0.090   0.090
  101    HA   PHE  12           HA       PHE  12  -4.744   0.315   0.315
  102   1HB   PHE  12          2HB       PHE  12  -4.908   1.427   1.427
  103   2HB   PHE  12          1HB       PHE  12  -3.809   2.122   2.122
  104    HD1  PHE  12          1HD       PHE  12  -4.856  -1.311  -1.311
  105    HD2  PHE  12          2HD       PHE  12  -1.656   1.283   1.283
  106    HE1  PHE  12          1HE       PHE  12  -3.237  -3.110  -3.110
  107    HE2  PHE  12          2HE       PHE  12  -0.040  -0.540  -0.540
  108   1HZ   PHE  12           HZ       PHE  12  -0.826  -2.737  -2.737
  109    H    ARG  13           H        ARG  13  -4.458   2.503   2.503
  110    HA   ARG  13           HA       ARG  13  -7.067   3.829   3.829
  111   1HB   ARG  13          2HB       ARG  13  -4.301   4.045   4.045
  112   2HB   ARG  13          1HB       ARG  13  -5.681   4.996   4.996
  113   1HG   ARG  13          2HG       ARG  13  -6.922   2.839   2.839
  114   2HG   ARG  13          1HG       ARG  13  -5.425   1.977   1.977
  115   1HD   ARG  13          2HD       ARG  13  -5.129   2.163   2.163
  116   2HD   ARG  13          1HD       ARG  13  -4.514   3.769   3.769
  117    HE   ARG  13           HE       ARG  13  -6.495   4.715   4.715
  118   1HH1  ARG  13          1HH2      ARG  13  -6.931   1.286   1.286
  119   2HH1  ARG  13          2HH2      ARG  13  -8.496   1.268   1.268
  120   1HH2  ARG  13          1HH1      ARG  13  -8.523   4.645   4.645
  121   2HH2  ARG  13          2HH1      ARG  13  -9.389   3.149   3.149
  122    H    ASN  14           H        ASN  14  -3.757   4.695   4.695
  123    HA   ASN  14           HA       ASN  14  -4.926   7.026   7.026
  124   1HB   ASN  14          2HB       ASN  14  -3.119   8.435   8.435
  125   2HB   ASN  14          1HB       ASN  14  -4.094   7.744   7.744
  126   1HD2  ASN  14          2HD2      ASN  14  -1.391   5.966   5.966
  127   2HD2  ASN  14          1HD2      ASN  14  -3.020   6.422   6.422
  128    H    GLU  15           H        GLU  15  -3.515   7.835   7.835
  129    HA   GLU  15           HA       GLU  15  -2.340   5.837   5.837
  130   1HB   GLU  15          2HB       GLU  15  -3.229   8.185   8.185
  131   2HB   GLU  15          1HB       GLU  15  -1.649   8.773   8.773
  132   1HG   GLU  15          2HG       GLU  15  -0.640   7.112   7.112
  133   2HG   GLU  15          1HG       GLU  15  -2.270   6.934   6.934
  134    H    LYS  16           H        LYS  16  -0.875   8.062   8.062
  135    HA   LYS  16           HA       LYS  16   1.857   7.721   7.721
  136   1HB   LYS  16          2HB       LYS  16   0.433   9.059   9.059
  137   2HB   LYS  16          1HB       LYS  16   0.917   7.705   7.705
  138   1HG   LYS  16          2HG       LYS  16   3.243   8.143   8.143
  139   2HG   LYS  16          1HG       LYS  16   2.888   9.294   9.294
  140   1HD   LYS  16          2HD       LYS  16   1.966   9.684   9.684
  141   2HD   LYS  16          1HD       LYS  16   3.485  10.337  10.337
  142   1HE   LYS  16          2HE       LYS  16   1.953  11.312  11.312
  143   2HE   LYS  16          1HE       LYS  16   0.670  11.114  11.114
  144   1HZ   LYS  16          1HZ       LYS  16   2.144  12.247  12.247
  145   2HZ   LYS  16          3HZ       LYS  16   3.239  12.566  12.566
  146   3HZ   LYS  16          2HZ       LYS  16   1.684  13.250  13.250
  147    H    GLU  17           H        GLU  17  -0.286   5.680   5.680
  148    HA   GLU  17           HA       GLU  17   1.690   3.773   3.773
  149   1HB   GLU  17          2HB       GLU  17  -0.969   4.270   4.270
  150   2HB   GLU  17          1HB       GLU  17  -1.068   2.822   2.822
  151   1HG   GLU  17          2HG       GLU  17   0.863   2.948   2.948
  152   2HG   GLU  17          1HG       GLU  17  -0.830   2.526   2.526
  153    H    LEU  18           H        LEU  18  -0.426   3.972   3.972
  154    HA   LEU  18           HA       LEU  18   0.205   1.460   1.460
  155   1HB   LEU  18          2HB       LEU  18  -0.937   4.039   4.039
  156   2HB   LEU  18          1HB       LEU  18   0.071   3.444   3.444
  157    HG   LEU  18           HG       LEU  18  -2.129   2.632   2.632
  158   1HD1  LEU  18          1HD1      LEU  18  -0.132   0.942   0.942
  159   2HD1  LEU  18          3HD1      LEU  18  -0.917   0.229   0.229
  160   3HD1  LEU  18          2HD1      LEU  18  -1.777   0.321   0.321
  161   1HD2  LEU  18          2HD2      LEU  18  -2.124   2.251   2.251
  162   2HD2  LEU  18          1HD2      LEU  18  -3.428   2.770   2.770
  163   3HD2  LEU  18          3HD2      LEU  18  -3.024   1.057   1.057
  164    H    ARG  19           H        ARG  19   1.862   4.555   4.555
  165    HA   ARG  19           HA       ARG  19   4.069   3.762   3.762
  166   1HB   ARG  19          2HB       ARG  19   3.283   6.084   6.084
  167   2HB   ARG  19          1HB       ARG  19   4.959   5.956   5.956
  168   1HG   ARG  19          2HG       ARG  19   3.969   5.588   5.588
  169   2HG   ARG  19          1HG       ARG  19   2.468   6.215   6.215
  170   1HD   ARG  19          2HD       ARG  19   3.778   8.045   8.045
  171   2HD   ARG  19          1HD       ARG  19   3.693   8.272   8.272
  172    HE   ARG  19           HE       ARG  19   6.006   7.826   7.826
  173   1HH1  ARG  19          1HH2      ARG  19   4.717   6.674   6.674
  174   2HH1  ARG  19          2HH2      ARG  19   6.275   6.242   6.242
  175   1HH2  ARG  19          1HH1      ARG  19   8.002   7.250   7.250
  176   2HH2  ARG  19          2HH1      ARG  19   8.116   6.560   6.560
  177    H    ASP  20           H        ASP  20   3.426   3.813   3.813
  178    HA   ASP  20           HA       ASP  20   6.226   2.989   2.989
  179   1HB   ASP  20          2HB       ASP  20   4.510   4.631   4.631
  180   2HB   ASP  20          1HB       ASP  20   4.090   3.118   3.118
  181    H    PHE  21           H        PHE  21   3.904   1.303   1.303
  182    HA   PHE  21           HA       PHE  21   3.748  -0.962  -0.962
  183   1HB   PHE  21          2HB       PHE  21   1.799  -0.133  -0.133
  184   2HB   PHE  21          1HB       PHE  21   2.665  -0.584  -0.584
  185    HD1  PHE  21          2HD       PHE  21   0.981  -1.862  -1.862
  186    HD2  PHE  21          1HD       PHE  21   3.020  -2.902  -2.902
  187    HE1  PHE  21          2HE       PHE  21   0.261  -4.209  -4.209
  188    HE2  PHE  21          1HE       PHE  21   2.295  -5.257  -5.257
  189   1HZ   PHE  21           HZ       PHE  21   0.915  -5.910  -5.910
  190    H    ILE  22           H        ILE  22   4.678  -0.444  -0.444
  191    HA   ILE  22           HA       ILE  22   6.073  -2.922  -2.922
  192    HB   ILE  22           HB       ILE  22   6.423  -0.315  -0.315
  193   1HG1  ILE  22          2HG1      ILE  22   4.691  -2.733  -2.733
  194   2HG1  ILE  22          1HG1      ILE  22   4.093  -1.190  -1.190
  195   1HG2  ILE  22          2HG2      ILE  22   8.078  -2.479  -2.479
  196   2HG2  ILE  22          1HG2      ILE  22   6.877  -2.908  -2.908
  197   3HG2  ILE  22          3HG2      ILE  22   7.773  -1.396  -1.396
  198   1HD1  ILE  22          2HD1      ILE  22   5.216  -0.135  -0.135
  199   2HD1  ILE  22          1HD1      ILE  22   5.352  -1.779  -1.779
  200   3HD1  ILE  22          3HD1      ILE  22   3.763  -1.091  -1.091
  201    H    GLU  23           H        GLU  23   6.993   0.249   0.249
  202    HA   GLU  23           HA       GLU  23   9.834  -0.143  -0.143
  203   1HB   GLU  23          2HB       GLU  23   7.864   1.540   1.540
  204   2HB   GLU  23          1HB       GLU  23   9.600   1.631   1.631
  205   1HG   GLU  23          2HG       GLU  23   9.568   1.835   1.835
  206   2HG   GLU  23          1HG       GLU  23   8.029   2.600   2.600
  207    H    LYS  24           H        LYS  24   7.202  -0.880  -0.880
  208    HA   LYS  24           HA       LYS  24   9.070  -2.205  -2.205
  209   1HB   LYS  24          2HB       LYS  24   6.091  -1.595  -1.595
  210   2HB   LYS  24          1HB       LYS  24   6.985  -2.296  -2.296
  211   1HG   LYS  24          2HG       LYS  24   7.769   0.335   0.335
  212   2HG   LYS  24          1HG       LYS  24   6.641   0.235   0.235
  213   1HD   LYS  24          2HD       LYS  24   8.308  -0.801  -0.801
  214   2HD   LYS  24          1HD       LYS  24   9.423  -0.964  -0.964
  215   1HE   LYS  24          2HE       LYS  24  10.098   1.217   1.217
  216   2HE   LYS  24          1HE       LYS  24   8.460   1.798   1.798
  217   1HZ   LYS  24          1HZ       LYS  24  10.107   0.219   0.219
  218   2HZ   LYS  24          3HZ       LYS  24  10.035   1.914   1.914
  219   3HZ   LYS  24          2HZ       LYS  24   8.633   1.002   1.002
  220    H    PHE  25           H        PHE  25   7.908  -3.148  -3.148
  221    HA   PHE  25           HA       PHE  25   6.646  -5.724  -5.724
  222   1HB   PHE  25          2HB       PHE  25   5.632  -4.340  -4.340
  223   2HB   PHE  25          1HB       PHE  25   7.170  -4.170  -4.170
  224    HD1  PHE  25          2HD       PHE  25   5.840  -7.365  -7.365
  225    HD2  PHE  25          1HD       PHE  25   6.539  -4.940  -4.940
  226    HE1  PHE  25          2HE       PHE  25   5.301  -9.303  -9.303
  227    HE2  PHE  25          1HE       PHE  25   5.999  -6.888  -6.888
  228   1HZ   PHE  25           HZ       PHE  25   5.379  -9.067  -9.067
  229    H    LYS  26           H        LYS  26   9.778  -4.613  -4.613
  230    HA   LYS  26           HA       LYS  26  11.848  -5.699  -5.699
  231   1HB   LYS  26          2HB       LYS  26  10.366  -7.448  -7.448
  232   2HB   LYS  26          1HB       LYS  26  10.380  -8.321  -8.321
  233   1HG   LYS  26          2HG       LYS  26  12.255  -9.150  -9.150
  234   2HG   LYS  26          1HG       LYS  26  12.924  -8.035  -8.035
  235   1HD   LYS  26          2HD       LYS  26  13.120  -6.281  -6.281
  236   2HD   LYS  26          1HD       LYS  26  12.247  -7.244  -7.244
  237   1HE   LYS  26          2HE       LYS  26  14.162  -9.003  -9.003
  238   2HE   LYS  26          1HE       LYS  26  15.058  -7.596  -7.596
  239   1HZ   LYS  26          3HZ       LYS  26  14.494  -6.405  -6.405
  240   2HZ   LYS  26          2HZ       LYS  26  13.661  -7.765  -7.765
  241   3HZ   LYS  26          1HZ       LYS  26  15.345  -7.828  -7.828
  242    H    GLY  27           H        GLY  27  10.171  -4.795  -4.795
  243   1HA   GLY  27          2HA       GLY  27  11.603  -6.104  -6.104
  244   2HA   GLY  27          1HA       GLY  27   9.859  -6.360  -6.360
  245    H    ARG  28           H        ARG  28  11.551  -3.470  -3.470
  246    HA   ARG  28           HA       ARG  28   9.852  -1.583  -1.583
  247   1HB   ARG  28          2HB       ARG  28  11.768  -0.034  -0.034
  248   2HB   ARG  28          1HB       ARG  28  11.483  -1.096  -1.096
  249   1HG   ARG  28          2HG       ARG  28  13.245  -2.560  -2.560
  250   2HG   ARG  28          1HG       ARG  28  13.829  -0.904  -0.904
  251   1HD   ARG  28          2HD       ARG  28  13.248  -2.243  -2.243
  252   2HD   ARG  28          1HD       ARG  28  14.865  -2.085  -2.085
  253    HE   ARG  28           HE       ARG  28  13.457   0.457   0.457
  254   1HH1  ARG  28          1HH2      ARG  28  15.357  -1.769  -1.769
  255   2HH1  ARG  28          2HH2      ARG  28  15.921  -0.527  -0.527
  256   1HH2  ARG  28          1HH1      ARG  28  14.210   2.028   2.028
  257   2HH2  ARG  28          2HH1      ARG  28  15.281   1.602   1.602

  Start of MODEL   20
    1   1H    GLN   1          1HT       GLN   1 -13.387   3.405   3.405
    2   2H    GLN   1          3HT       GLN   1 -15.055   3.512   3.512
    3   3H    GLN   1          2HT       GLN   1 -13.963   4.273   4.273
    4    HA   GLN   1           HA       GLN   1 -15.016   5.892   5.892
    5   1HB   GLN   1          2HB       GLN   1 -14.903   3.773   3.773
    6   2HB   GLN   1          1HB       GLN   1 -13.563   4.753   4.753
    7   1HG   GLN   1          2HG       GLN   1 -15.236   5.786   5.786
    8   2HG   GLN   1          1HG       GLN   1 -15.415   6.691   6.691
    9   1HE2  GLN   1          2HE2      GLN   1 -18.791   5.657   5.657
   10   2HE2  GLN   1          1HE2      GLN   1 -17.701   6.957   6.957
   11    H    GLN   2           H        GLN   2 -11.852   4.359   4.359
   12    HA   GLN   2           HA       GLN   2 -10.558   7.023   7.023
   13   1HB   GLN   2          2HB       GLN   2 -10.406   5.038   5.038
   14   2HB   GLN   2          1HB       GLN   2  -8.843   5.641   5.641
   15   1HG   GLN   2          2HG       GLN   2  -9.544   7.155   7.155
   16   2HG   GLN   2          1HG       GLN   2  -9.846   7.989   7.989
   17   1HE2  GLN   2          2HE2      GLN   2 -13.223   8.437   8.437
   18   2HE2  GLN   2          1HE2      GLN   2 -11.818   9.064   9.064
   19    H    TYR   3           H        TYR   3  -8.843   3.949   3.949
   20    HA   TYR   3           HA       TYR   3  -8.014   4.032   4.032
   21   1HB   TYR   3          2HB       TYR   3  -6.527   3.930   3.930
   22   2HB   TYR   3          1HB       TYR   3  -5.882   2.961   2.961
   23    HD1  TYR   3          1HD       TYR   3  -7.360   6.344   6.344
   24    HD2  TYR   3          2HD       TYR   3  -4.404   4.001   4.001
   25    HE1  TYR   3          1HE       TYR   3  -6.502   8.394   8.394
   26    HE2  TYR   3          2HE       TYR   3  -3.518   6.057   6.057
   27    HH   TYR   3           HH       TYR   3  -4.366   8.335   8.335
   28    H    THR   4           H        THR   4  -9.093   2.348   2.348
   29    HA   THR   4           HA       THR   4  -9.604  -0.164  -0.164
   30    HB   THR   4           HB       THR   4  -9.887   0.589   0.589
   31    HG1  THR   4          1HG       THR   4 -12.025   1.145   1.145
   32   1HG2  THR   4          2HG2      THR   4 -10.773  -1.687  -1.687
   33   2HG2  THR   4          1HG2      THR   4 -11.939  -1.074  -1.074
   34   3HG2  THR   4          3HG2      THR   4 -10.364  -1.655  -1.655
   35    H    ALA   5           H        ALA   5  -6.842   1.040   1.040
   36    HA   ALA   5           HA       ALA   5  -5.746  -0.786  -0.786
   37   1HB   ALA   5          3HB       ALA   5  -4.763   0.965   0.965
   38   2HB   ALA   5          2HB       ALA   5  -3.624  -0.258  -0.258
   39   3HB   ALA   5          1HB       ALA   5  -4.296   0.917   0.917
   40    H    LYS   6           H        LYS   6  -6.413  -2.972  -2.972
   41    HA   LYS   6           HA       LYS   6  -5.521  -4.246  -4.246
   42   1HB   LYS   6          2HB       LYS   6  -6.942  -6.093  -6.093
   43   2HB   LYS   6          1HB       LYS   6  -7.832  -4.590  -4.590
   44   1HG   LYS   6          2HG       LYS   6  -6.770  -4.691  -4.691
   45   2HG   LYS   6          1HG       LYS   6  -6.679  -6.412  -6.412
   46   1HD   LYS   6          2HD       LYS   6  -9.200  -5.919  -5.919
   47   2HD   LYS   6          1HD       LYS   6  -9.064  -4.692  -4.692
   48   1HE   LYS   6          2HE       LYS   6  -8.000  -7.326  -7.326
   49   2HE   LYS   6          1HE       LYS   6  -9.744  -7.315  -7.315
   50   1HZ   LYS   6          2HZ       LYS   6  -8.388  -5.227  -5.227
   51   2HZ   LYS   6          1HZ       LYS   6  -9.093  -6.609  -6.609
   52   3HZ   LYS   6          3HZ       LYS   6 -10.058  -5.500  -5.500
   53    H    ILE   7           H        ILE   7  -3.375  -3.442  -3.442
   54    HA   ILE   7           HA       ILE   7  -2.216  -4.806  -4.806
   55    HB   ILE   7           HB       ILE   7  -1.164  -2.961  -2.961
   56   1HG1  ILE   7          2HG1      ILE   7   0.635  -5.283  -5.283
   57   2HG1  ILE   7          1HG1      ILE   7   0.423  -4.641  -4.641
   58   1HG2  ILE   7          2HG2      ILE   7  -1.654  -4.349  -4.349
   59   2HG2  ILE   7          1HG2      ILE   7  -0.086  -3.543  -3.543
   60   3HG2  ILE   7          3HG2      ILE   7  -1.567  -2.626  -2.626
   61   1HD1  ILE   7          3HD1      ILE   7   1.217  -2.873  -2.873
   62   2HD1  ILE   7          2HD1      ILE   7   2.415  -3.748  -3.748
   63   3HD1  ILE   7          1HD1      ILE   7   1.375  -2.552  -2.552
   64    H    LYS   8           H        LYS   8  -0.640  -5.890  -5.890
   65    HA   LYS   8           HA       LYS   8  -0.520  -8.596  -8.596
   66   1HB   LYS   8          2HB       LYS   8   0.455  -6.965  -6.965
   67   2HB   LYS   8          1HB       LYS   8   0.198  -8.659  -8.659
   68   1HG   LYS   8          2HG       LYS   8   1.594  -8.082  -8.082
   69   2HG   LYS   8          1HG       LYS   8   2.497  -7.797  -7.797
   70   1HD   LYS   8          2HD       LYS   8   1.968 -10.100 -10.100
   71   2HD   LYS   8          1HD       LYS   8   1.109 -10.383 -10.383
   72   1HE   LYS   8          2HE       LYS   8   3.046 -10.644 -10.644
   73   2HE   LYS   8          1HE       LYS   8   3.873  -9.346  -9.346
   74   1HZ   LYS   8          2HZ       LYS   8   3.191 -11.990 -11.990
   75   2HZ   LYS   8          1HZ       LYS   8   4.720 -11.601 -11.601
   76   3HZ   LYS   8          3HZ       LYS   8   4.123 -10.765 -10.765
   77    H    GLY   9           H        GLY   9  -2.643  -6.827  -6.827
   78   1HA   GLY   9          2HA       GLY   9  -4.908  -8.249  -8.249
   79   2HA   GLY   9          1HA       GLY   9  -3.919  -9.279  -9.279
   80    H    ARG  10           H        ARG  10  -4.082  -5.732  -5.732
   81    HA   ARG  10           HA       ARG  10  -5.291  -5.484  -5.484
   82   1HB   ARG  10          2HB       ARG  10  -3.226  -3.965  -3.965
   83   2HB   ARG  10          1HB       ARG  10  -3.107  -5.712  -5.712
   84   1HG   ARG  10          2HG       ARG  10  -2.346  -4.784  -4.784
   85   2HG   ARG  10          1HG       ARG  10  -1.314  -4.162  -4.162
   86   1HD   ARG  10          2HD       ARG  10  -2.025  -7.099  -7.099
   87   2HD   ARG  10          1HD       ARG  10  -0.657  -6.453  -6.453
   88    HE   ARG  10           HE       ARG  10  -0.536  -5.447  -5.447
   89   1HH1  ARG  10          1HH2      ARG  10  -0.062  -8.394  -8.394
   90   2HH1  ARG  10          2HH2      ARG  10   1.076  -9.031  -9.031
   91   1HH2  ARG  10          1HH1      ARG  10   0.938  -6.311  -6.311
   92   2HH2  ARG  10          2HH1      ARG  10   1.638  -7.866  -7.866
   93    H    THR  11           H        THR  11  -6.841  -4.016  -4.016
   94    HA   THR  11           HA       THR  11  -6.312  -1.861  -1.861
   95    HB   THR  11           HB       THR  11  -8.545  -2.899  -2.899
   96    HG1  THR  11          1HG       THR  11  -9.714  -0.932  -0.932
   97   1HG2  THR  11          3HG2      THR  11  -8.201  -1.974  -1.974
   98   2HG2  THR  11          2HG2      THR  11  -9.804  -2.231  -2.231
   99   3HG2  THR  11          1HG2      THR  11  -8.663  -3.570  -3.570
  100    H    PHE  12           H        PHE  12  -5.833   0.316   0.316
  101    HA   PHE  12           HA       PHE  12  -5.061   0.705   0.705
  102   1HB   PHE  12          2HB       PHE  12  -4.069   1.726   1.726
  103   2HB   PHE  12          1HB       PHE  12  -3.557   2.451   2.451
  104    HD1  PHE  12          1HD       PHE  12  -3.499  -0.666  -0.666
  105    HD2  PHE  12          2HD       PHE  12  -2.117   1.286   1.286
  106    HE1  PHE  12          1HE       PHE  12  -1.773  -2.427  -2.427
  107    HE2  PHE  12          2HE       PHE  12  -0.440  -0.499  -0.499
  108   1HZ   PHE  12           HZ       PHE  12  -0.276  -2.354  -2.354
  109    H    ARG  13           H        ARG  13  -4.858   3.319   3.319
  110    HA   ARG  13           HA       ARG  13  -7.620   4.366   4.366
  111   1HB   ARG  13          2HB       ARG  13  -6.545   4.038   4.038
  112   2HB   ARG  13          1HB       ARG  13  -5.480   5.379   5.379
  113   1HG   ARG  13          2HG       ARG  13  -8.394   5.801   5.801
  114   2HG   ARG  13          1HG       ARG  13  -7.842   5.749   5.749
  115   1HD   ARG  13          2HD       ARG  13  -6.116   7.476   7.476
  116   2HD   ARG  13          1HD       ARG  13  -6.797   7.589   7.589
  117    HE   ARG  13           HE       ARG  13  -9.022   7.886   7.886
  118   1HH1  ARG  13          1HH2      ARG  13  -5.889   9.447   9.447
  119   2HH1  ARG  13          2HH2      ARG  13  -6.516  10.914  10.914
  120   1HH2  ARG  13          1HH1      ARG  13  -9.785   9.802   9.802
  121   2HH2  ARG  13          2HH1      ARG  13  -8.696  11.114  11.114
  122    H    ASN  14           H        ASN  14  -4.192   5.051   5.051
  123    HA   ASN  14           HA       ASN  14  -4.928   7.251   7.251
  124   1HB   ASN  14          2HB       ASN  14  -3.232   8.690   8.690
  125   2HB   ASN  14          1HB       ASN  14  -4.396   8.175   8.175
  126   1HD2  ASN  14          2HD2      ASN  14  -1.998   6.414   6.414
  127   2HD2  ASN  14          1HD2      ASN  14  -3.629   6.849   6.849
  128    H    GLU  15           H        GLU  15  -3.030   7.792   7.792
  129    HA   GLU  15           HA       GLU  15  -1.868   5.430   5.430
  130   1HB   GLU  15          2HB       GLU  15  -2.396   7.722   7.722
  131   2HB   GLU  15          1HB       GLU  15  -0.866   8.258   8.258
  132   1HG   GLU  15          2HG       GLU  15   0.342   6.534   6.534
  133   2HG   GLU  15          1HG       GLU  15  -1.177   5.893   5.893
  134    H    LYS  16           H        LYS  16  -0.544   7.930   7.930
  135    HA   LYS  16           HA       LYS  16   2.171   7.244   7.244
  136   1HB   LYS  16          2HB       LYS  16   0.611   8.994   8.994
  137   2HB   LYS  16          1HB       LYS  16   0.795   7.811   7.811
  138   1HG   LYS  16          2HG       LYS  16   2.632   9.228   9.228
  139   2HG   LYS  16          1HG       LYS  16   3.337   7.923   7.923
  140   1HD   LYS  16          2HD       LYS  16   3.460   9.216   9.216
  141   2HD   LYS  16          1HD       LYS  16   2.158  10.288  10.288
  142   1HE   LYS  16          2HE       LYS  16   4.570  10.285  10.285
  143   2HE   LYS  16          1HE       LYS  16   4.767  11.011  11.011
  144   1HZ   LYS  16          3HZ       LYS  16   2.759  12.302  12.302
  145   2HZ   LYS  16          2HZ       LYS  16   2.578  11.622  11.622
  146   3HZ   LYS  16          1HZ       LYS  16   3.902  12.632  12.632
  147    H    GLU  17           H        GLU  17  -0.483   5.793   5.793
  148    HA   GLU  17           HA       GLU  17   1.145   3.863   3.863
  149   1HB   GLU  17          2HB       GLU  17  -1.450   4.732   4.732
  150   2HB   GLU  17          1HB       GLU  17  -1.658   3.176   3.176
  151   1HG   GLU  17          2HG       GLU  17  -1.826   2.777   2.777
  152   2HG   GLU  17          1HG       GLU  17  -0.268   2.141   2.141
  153    H    LEU  18           H        LEU  18  -0.476   3.938   3.938
  154    HA   LEU  18           HA       LEU  18  -0.168   1.193   1.193
  155   1HB   LEU  18          2HB       LEU  18  -1.010   3.672   3.672
  156   2HB   LEU  18          1HB       LEU  18   0.280   3.108   3.108
  157    HG   LEU  18           HG       LEU  18  -1.869   2.270   2.270
  158   1HD1  LEU  18          1HD1      LEU  18   0.296   0.807   0.807
  159   2HD1  LEU  18          3HD1      LEU  18  -0.569  -0.118  -0.118
  160   3HD1  LEU  18          2HD1      LEU  18  -1.241   0.039   0.039
  161   1HD2  LEU  18          1HD2      LEU  18  -2.183   1.644   1.644
  162   2HD2  LEU  18          3HD2      LEU  18  -3.403   2.049   2.049
  163   3HD2  LEU  18          2HD2      LEU  18  -2.775   0.404   0.404
  164    H    ARG  19           H        ARG  19   1.928   4.011   4.011
  165    HA   ARG  19           HA       ARG  19   4.180   2.655   2.655
  166   1HB   ARG  19          2HB       ARG  19   3.593   5.338   5.338
  167   2HB   ARG  19          1HB       ARG  19   5.245   4.901   4.901
  168   1HG   ARG  19          2HG       ARG  19   3.142   4.395   4.395
  169   2HG   ARG  19          1HG       ARG  19   3.541   6.084   6.084
  170   1HD   ARG  19          2HD       ARG  19   6.047   5.041   5.041
  171   2HD   ARG  19          1HD       ARG  19   5.191   3.973   3.973
  172    HE   ARG  19           HE       ARG  19   4.936   5.816   5.816
  173   1HH1  ARG  19          1HH2      ARG  19   5.529   6.940   6.940
  174   2HH1  ARG  19          2HH2      ARG  19   5.590   8.601   8.601
  175   1HH2  ARG  19          1HH1      ARG  19   5.023   7.978   7.978
  176   2HH2  ARG  19          2HH1      ARG  19   5.309   9.184   9.184
  177    H    ASP  20           H        ASP  20   3.050   3.295   3.295
  178    HA   ASP  20           HA       ASP  20   5.598   2.793   2.793
  179   1HB   ASP  20          2HB       ASP  20   3.219   3.901   3.901
  180   2HB   ASP  20          1HB       ASP  20   3.029   2.300   2.300
  181    H    PHE  21           H        PHE  21   2.850   0.770   0.770
  182    HA   PHE  21           HA       PHE  21   3.799  -1.598  -1.598
  183   1HB   PHE  21          2HB       PHE  21   1.449  -1.487  -1.487
  184   2HB   PHE  21          1HB       PHE  21   1.707  -0.967  -0.967
  185    HD1  PHE  21          1HD       PHE  21   3.520  -3.748  -3.748
  186    HD2  PHE  21          2HD       PHE  21   0.460  -2.664  -2.664
  187    HE1  PHE  21          1HE       PHE  21   3.446  -6.074  -6.074
  188    HE2  PHE  21          2HE       PHE  21   0.384  -5.022  -5.022
  189   1HZ   PHE  21           HZ       PHE  21   1.874  -6.726  -6.726
  190    H    ILE  22           H        ILE  22   3.773  -0.476  -0.476
  191    HA   ILE  22           HA       ILE  22   5.278  -2.683  -2.683
  192    HB   ILE  22           HB       ILE  22   4.949   0.135   0.135
  193   1HG1  ILE  22          2HG1      ILE  22   3.515  -2.411  -2.411
  194   2HG1  ILE  22          1HG1      ILE  22   2.885  -1.293  -1.293
  195   1HG2  ILE  22          3HG2      ILE  22   6.338  -2.266  -2.266
  196   2HG2  ILE  22          2HG2      ILE  22   5.286  -1.431  -1.431
  197   3HG2  ILE  22          1HG2      ILE  22   6.608  -0.563  -0.563
  198   1HD1  ILE  22          1HD1      ILE  22   3.329   0.486   0.486
  199   2HD1  ILE  22          3HD1      ILE  22   3.160  -0.938  -0.938
  200   3HD1  ILE  22          2HD1      ILE  22   1.840  -0.461  -0.461
  201    H    GLU  23           H        GLU  23   6.217   0.207   0.207
  202    HA   GLU  23           HA       GLU  23   8.982   0.300   0.300
  203   1HB   GLU  23          2HB       GLU  23   7.780   2.128   2.128
  204   2HB   GLU  23          1HB       GLU  23   7.562   1.090   1.090
  205   1HG   GLU  23          2HG       GLU  23  10.103   0.881   0.881
  206   2HG   GLU  23          1HG       GLU  23  10.157   2.182   2.182
  207    H    LYS  24           H        LYS  24   7.116  -1.431  -1.431
  208    HA   LYS  24           HA       LYS  24   9.473  -2.819  -2.819
  209   1HB   LYS  24          2HB       LYS  24   7.574  -1.999  -1.999
  210   2HB   LYS  24          1HB       LYS  24   6.478  -3.057  -3.057
  211   1HG   LYS  24          2HG       LYS  24   8.798  -4.518  -4.518
  212   2HG   LYS  24          1HG       LYS  24   7.914  -3.716  -3.716
  213   1HD   LYS  24          2HD       LYS  24   5.934  -4.887  -4.887
  214   2HD   LYS  24          1HD       LYS  24   6.424  -5.280  -5.280
  215   1HE   LYS  24          2HE       LYS  24   8.172  -6.802  -6.802
  216   2HE   LYS  24          1HE       LYS  24   7.658  -6.423  -6.423
  217   1HZ   LYS  24          3HZ       LYS  24   5.793  -7.400  -7.400
  218   2HZ   LYS  24          2HZ       LYS  24   6.587  -8.441  -8.441
  219   3HZ   LYS  24          1HZ       LYS  24   5.505  -7.268  -7.268
  220    H    PHE  25           H        PHE  25   7.539  -3.199  -3.199
  221    HA   PHE  25           HA       PHE  25   7.304  -6.136  -6.136
  222   1HB   PHE  25          2HB       PHE  25   5.562  -4.731  -4.731
  223   2HB   PHE  25          1HB       PHE  25   6.733  -3.859  -3.859
  224    HD1  PHE  25          2HD       PHE  25   6.556  -7.554  -7.554
  225    HD2  PHE  25          1HD       PHE  25   5.907  -4.200  -4.200
  226    HE1  PHE  25          2HE       PHE  25   6.175  -9.108  -9.108
  227    HE2  PHE  25          1HE       PHE  25   5.533  -5.754  -5.754
  228   1HZ   PHE  25           HZ       PHE  25   5.663  -8.208  -8.208
  229    H    LYS  26           H        LYS  26   9.922  -4.184  -4.184
  230    HA   LYS  26           HA       LYS  26  12.043  -4.478  -4.478
  231   1HB   LYS  26          2HB       LYS  26  11.008  -7.008  -7.008
  232   2HB   LYS  26          1HB       LYS  26  11.370  -7.056  -7.056
  233   1HG   LYS  26          2HG       LYS  26  13.635  -5.897  -5.897
  234   2HG   LYS  26          1HG       LYS  26  13.222  -6.779  -6.779
  235   1HD   LYS  26          2HD       LYS  26  12.767  -8.709  -8.709
  236   2HD   LYS  26          1HD       LYS  26  14.065  -7.812  -7.812
  237   1HE   LYS  26          2HE       LYS  26  14.384  -8.465  -8.465
  238   2HE   LYS  26          1HE       LYS  26  14.641  -9.757  -9.757
  239   1HZ   LYS  26          2HZ       LYS  26  16.083  -8.222  -8.222
  240   2HZ   LYS  26          1HZ       LYS  26  15.918  -7.073  -7.073
  241   3HZ   LYS  26          3HZ       LYS  26  16.689  -8.550  -8.550
  242    H    GLY  27           H        GLY  27   9.718  -3.301  -3.301
  243   1HA   GLY  27          2HA       GLY  27  10.717  -3.606  -3.606
  244   2HA   GLY  27          1HA       GLY  27   8.982  -3.591  -3.591
  245    H    ARG  28           H        ARG  28   8.769  -1.643  -1.643
  246    HA   ARG  28           HA       ARG  28   8.503   0.687   0.687
  247   1HB   ARG  28          2HB       ARG  28  11.043   0.053   0.053
  248   2HB   ARG  28          1HB       ARG  28  11.244   0.910   0.910
  249   1HG   ARG  28          2HG       ARG  28   9.917   2.823   2.823
  250   2HG   ARG  28          1HG       ARG  28  10.188   1.989   1.989
  251   1HD   ARG  28          2HD       ARG  28  12.573   2.199   2.199
  252   2HD   ARG  28          1HD       ARG  28  12.446   2.725   2.725
  253    HE   ARG  28           HE       ARG  28  10.934   4.409   4.409
  254   1HH1  ARG  28          1HH2      ARG  28  14.049   3.855   3.855
  255   2HH1  ARG  28          2HH2      ARG  28  14.544   5.500   5.500
  256   1HH2  ARG  28          1HH1      ARG  28  11.618   6.526   6.526
  257   2HH2  ARG  28          2HH1      ARG  28  13.185   6.997   6.997

  Start of MODEL   21
    1   1H    GLN   1          1HT       GLN   1 -12.636   8.762   8.762
    2   2H    GLN   1          3HT       GLN   1 -13.255   8.910   8.910
    3   3H    GLN   1          2HT       GLN   1 -14.137   8.067   8.067
    4    HA   GLN   1           HA       GLN   1 -12.587   6.285   6.285
    5   1HB   GLN   1          2HB       GLN   1 -14.293   6.721   6.721
    6   2HB   GLN   1          1HB       GLN   1 -12.867   7.074   7.074
    7   1HG   GLN   1          2HG       GLN   1 -11.933   4.861   4.861
    8   2HG   GLN   1          1HG       GLN   1 -13.346   4.504   4.504
    9   1HE2  GLN   1          2HE2      GLN   1 -13.543   3.827   3.827
   10   2HE2  GLN   1          1HE2      GLN   1 -12.090   4.140   4.140
   11    H    GLN   2           H        GLN   2 -10.429   5.770   5.770
   12    HA   GLN   2           HA       GLN   2  -8.516   7.642   7.642
   13   1HB   GLN   2          2HB       GLN   2  -8.586   6.088   6.088
   14   2HB   GLN   2          1HB       GLN   2  -7.013   6.367   6.367
   15   1HG   GLN   2          2HG       GLN   2  -7.228   8.265   8.265
   16   2HG   GLN   2          1HG       GLN   2  -7.864   8.848   8.848
   17   1HE2  GLN   2          2HE2      GLN   2 -11.097   9.411   9.411
   18   2HE2  GLN   2          1HE2      GLN   2 -10.021   9.579   9.579
   19    H    TYR   3           H        TYR   3  -7.818   4.363   4.363
   20    HA   TYR   3           HA       TYR   3  -7.391   3.471   3.471
   21   1HB   TYR   3          2HB       TYR   3  -5.548   3.657   3.657
   22   2HB   TYR   3          1HB       TYR   3  -5.385   2.253   2.253
   23    HD1  TYR   3          2HD       TYR   3  -5.696   5.974   5.974
   24    HD2  TYR   3          1HD       TYR   3  -4.168   2.419   2.419
   25    HE1  TYR   3          2HE       TYR   3  -4.537   7.364   7.364
   26    HE2  TYR   3          1HE       TYR   3  -2.996   3.809   3.809
   27    HH   TYR   3           HH       TYR   3  -3.597   6.499   6.499
   28    H    THR   4           H        THR   4  -9.032   1.985   1.985
   29    HA   THR   4           HA       THR   4  -9.453   0.066   0.066
   30    HB   THR   4           HB       THR   4 -11.054   0.350   0.350
   31    HG1  THR   4          1HG       THR   4 -11.038   2.387   2.387
   32   1HG2  THR   4          2HG2      THR   4 -11.510  -1.561  -1.561
   33   2HG2  THR   4          1HG2      THR   4 -11.816  -0.418  -0.418
   34   3HG2  THR   4          3HG2      THR   4 -12.874  -0.449  -0.449
   35    H    ALA   5           H        ALA   5  -8.005   0.249   0.249
   36    HA   ALA   5           HA       ALA   5  -8.292  -2.360  -2.360
   37   1HB   ALA   5          3HB       ALA   5  -6.422  -0.084  -0.084
   38   2HB   ALA   5          2HB       ALA   5  -5.740  -1.643  -1.643
   39   3HB   ALA   5          1HB       ALA   5  -7.184  -1.035  -1.035
   40    H    LYS   6           H        LYS   6  -7.072  -4.280  -4.280
   41    HA   LYS   6           HA       LYS   6  -5.450  -4.335  -4.335
   42   1HB   LYS   6          2HB       LYS   6  -6.103  -6.798  -6.798
   43   2HB   LYS   6          1HB       LYS   6  -7.441  -5.676  -5.676
   44   1HG   LYS   6          2HG       LYS   6  -8.119  -5.910  -5.910
   45   2HG   LYS   6          1HG       LYS   6  -6.661  -6.814  -6.814
   46   1HD   LYS   6          2HD       LYS   6  -7.362  -8.712  -8.712
   47   2HD   LYS   6          1HD       LYS   6  -8.593  -7.793  -7.793
   48   1HE   LYS   6          2HE       LYS   6 -10.026  -7.699  -7.699
   49   2HE   LYS   6          1HE       LYS   6  -8.714  -8.111  -8.111
   50   1HZ   LYS   6          3HZ       LYS   6  -8.510 -10.265 -10.265
   51   2HZ   LYS   6          2HZ       LYS   6  -9.794  -9.877  -9.877
   52   3HZ   LYS   6          1HZ       LYS   6 -10.074 -10.055 -10.055
   53    H    ILE   7           H        ILE   7  -3.608  -3.616  -3.616
   54    HA   ILE   7           HA       ILE   7  -2.515  -4.936  -4.936
   55    HB   ILE   7           HB       ILE   7  -1.232  -3.615  -3.615
   56   1HG1  ILE   7          2HG1      ILE   7  -1.628  -2.464  -2.464
   57   2HG1  ILE   7          1HG1      ILE   7  -2.910  -2.385  -2.385
   58   1HG2  ILE   7          2HG2      ILE   7   0.362  -5.056  -5.056
   59   2HG2  ILE   7          1HG2      ILE   7  -0.002  -4.046  -4.046
   60   3HG2  ILE   7          3HG2      ILE   7   0.772  -3.342  -3.342
   61   1HD1  ILE   7          2HD1      ILE   7  -1.010  -1.461  -1.461
   62   2HD1  ILE   7          1HD1      ILE   7  -0.195  -1.097  -1.097
   63   3HD1  ILE   7          3HD1      ILE   7  -1.768  -0.382  -0.382
   64    H    LYS   8           H        LYS   8  -0.709  -5.414  -5.414
   65    HA   LYS   8           HA       LYS   8  -0.206  -8.189  -8.189
   66   1HB   LYS   8          2HB       LYS   8   1.562  -6.693  -6.693
   67   2HB   LYS   8          1HB       LYS   8   0.667  -6.440  -6.440
   68   1HG   LYS   8          2HG       LYS   8   2.438  -8.109  -8.109
   69   2HG   LYS   8          1HG       LYS   8   0.852  -8.863  -8.863
   70   1HD   LYS   8          2HD       LYS   8   0.989  -9.759  -9.759
   71   2HD   LYS   8          1HD       LYS   8   2.493  -8.889  -8.889
   72   1HE   LYS   8          2HE       LYS   8   3.751 -10.399 -10.399
   73   2HE   LYS   8          1HE       LYS   8   2.469 -10.668 -10.668
   74   1HZ   LYS   8          3HZ       LYS   8   2.309 -11.576 -11.576
   75   2HZ   LYS   8          2HZ       LYS   8   2.818 -12.572 -12.572
   76   3HZ   LYS   8          1HZ       LYS   8   1.236 -11.952 -11.952
   77    H    GLY   9           H        GLY   9  -2.341  -6.429  -6.429
   78   1HA   GLY   9          2HA       GLY   9  -4.283  -7.988  -7.988
   79   2HA   GLY   9          1HA       GLY   9  -3.003  -8.898  -8.898
   80    H    ARG  10           H        ARG  10  -3.524  -5.386  -5.386
   81    HA   ARG  10           HA       ARG  10  -4.040  -5.131  -5.131
   82   1HB   ARG  10          2HB       ARG  10  -1.495  -5.263  -5.263
   83   2HB   ARG  10          1HB       ARG  10  -1.756  -3.601  -3.601
   84   1HG   ARG  10          2HG       ARG  10  -1.941  -2.798  -2.798
   85   2HG   ARG  10          1HG       ARG  10  -2.815  -4.222  -4.222
   86   1HD   ARG  10          2HD       ARG  10  -0.355  -5.311  -5.311
   87   2HD   ARG  10          1HD       ARG  10   0.096  -3.672  -3.672
   88    HE   ARG  10           HE       ARG  10  -1.953  -4.682  -4.682
   89   1HH1  ARG  10          1HH2      ARG  10   1.447  -5.073  -5.073
   90   2HH1  ARG  10          2HH2      ARG  10   1.837  -5.577  -5.577
   91   1HH2  ARG  10          1HH1      ARG  10  -1.402  -5.341  -5.341
   92   2HH2  ARG  10          2HH1      ARG  10   0.244  -5.728  -5.728
   93    H    THR  11           H        THR  11  -6.079  -4.102  -4.102
   94    HA   THR  11           HA       THR  11  -6.294  -1.974  -1.974
   95    HB   THR  11           HB       THR  11  -7.757  -2.493  -2.493
   96    HG1  THR  11          1HG       THR  11  -7.953  -4.192  -4.192
   97   1HG2  THR  11          3HG2      THR  11  -8.119  -0.463  -0.463
   98   2HG2  THR  11          2HG2      THR  11  -9.584  -1.292  -1.292
   99   3HG2  THR  11          1HG2      THR  11  -8.599  -0.414  -0.414
  100    H    PHE  12           H        PHE  12  -5.603   0.128   0.128
  101    HA   PHE  12           HA       PHE  12  -4.105   0.959   0.959
  102   1HB   PHE  12          2HB       PHE  12  -4.153   2.145   2.145
  103   2HB   PHE  12          1HB       PHE  12  -2.942   2.412   2.412
  104    HD1  PHE  12          1HD       PHE  12  -4.331  -0.057  -0.057
  105    HD2  PHE  12          2HD       PHE  12  -1.275   0.742   0.742
  106    HE1  PHE  12          1HE       PHE  12  -3.060  -2.033  -2.033
  107    HE2  PHE  12          2HE       PHE  12  -0.033  -1.213  -1.213
  108   1HZ   PHE  12           HZ       PHE  12  -0.900  -2.620  -2.620
  109    H    ARG  13           H        ARG  13  -4.853   2.576   2.576
  110    HA   ARG  13           HA       ARG  13  -7.425   3.833   3.833
  111   1HB   ARG  13          2HB       ARG  13  -5.101   4.438   4.438
  112   2HB   ARG  13          1HB       ARG  13  -6.728   5.095   5.095
  113   1HG   ARG  13          2HG       ARG  13  -7.660   2.929   2.929
  114   2HG   ARG  13          1HG       ARG  13  -6.178   2.123   2.123
  115   1HD   ARG  13          2HD       ARG  13  -5.024   2.710   2.710
  116   2HD   ARG  13          1HD       ARG  13  -6.144   4.037   4.037
  117    HE   ARG  13           HE       ARG  13  -7.757   1.766   1.766
  118   1HH1  ARG  13          1HH2      ARG  13  -4.890   2.748   2.748
  119   2HH1  ARG  13          2HH2      ARG  13  -5.300   1.811   1.811
  120   1HH2  ARG  13          1HH1      ARG  13  -8.246   0.571   0.571
  121   2HH2  ARG  13          2HH1      ARG  13  -7.179   0.593   0.593
  122    H    ASN  14           H        ASN  14  -4.244   4.586   4.586
  123    HA   ASN  14           HA       ASN  14  -5.197   6.965   6.965
  124   1HB   ASN  14          2HB       ASN  14  -3.639   8.503   8.503
  125   2HB   ASN  14          1HB       ASN  14  -4.854   7.834   7.834
  126   1HD2  ASN  14          2HD2      ASN  14  -2.420   6.446   6.446
  127   2HD2  ASN  14          1HD2      ASN  14  -4.007   7.014   7.014
  128    H    GLU  15           H        GLU  15  -3.391   7.928   7.928
  129    HA   GLU  15           HA       GLU  15  -1.924   6.005   6.005
  130   1HB   GLU  15          2HB       GLU  15  -2.538   8.624   8.624
  131   2HB   GLU  15          1HB       GLU  15  -0.834   8.750   8.750
  132   1HG   GLU  15          2HG       GLU  15  -1.648   6.791   6.791
  133   2HG   GLU  15          1HG       GLU  15  -1.538   8.500   8.500
  134    H    LYS  16           H        LYS  16  -0.859   8.090   8.090
  135    HA   LYS  16           HA       LYS  16   1.879   7.584   7.584
  136   1HB   LYS  16          2HB       LYS  16   0.162   8.940   8.940
  137   2HB   LYS  16          1HB       LYS  16   0.285   7.518   7.518
  138   1HG   LYS  16          2HG       LYS  16   2.785   8.813   8.813
  139   2HG   LYS  16          1HG       LYS  16   1.963   9.506   9.506
  140   1HD   LYS  16          2HD       LYS  16   2.042   7.262   7.262
  141   2HD   LYS  16          1HD       LYS  16   2.991   6.667   6.667
  142   1HE   LYS  16          2HE       LYS  16   4.660   8.526   8.526
  143   2HE   LYS  16          1HE       LYS  16   3.773   8.822   8.822
  144   1HZ   LYS  16          1HZ       LYS  16   4.030   6.479   6.479
  145   2HZ   LYS  16          3HZ       LYS  16   4.913   6.215   6.215
  146   3HZ   LYS  16          2HZ       LYS  16   5.547   7.217   7.217
  147    H    GLU  17           H        GLU  17  -0.703   5.542   5.542
  148    HA   GLU  17           HA       GLU  17   1.040   3.538   3.538
  149   1HB   GLU  17          2HB       GLU  17  -1.825   3.899   3.899
  150   2HB   GLU  17          1HB       GLU  17  -1.284   2.220   2.220
  151   1HG   GLU  17          2HG       GLU  17  -0.162   2.798   2.798
  152   2HG   GLU  17          1HG       GLU  17  -1.258   4.180   4.180
  153    H    LEU  18           H        LEU  18  -0.515   3.927   3.927
  154    HA   LEU  18           HA       LEU  18   0.292   1.467   1.467
  155   1HB   LEU  18          2HB       LEU  18  -1.170   3.598   3.598
  156   2HB   LEU  18          1HB       LEU  18   0.339   4.036   4.036
  157    HG   LEU  18           HG       LEU  18   0.299   1.568   1.568
  158   1HD1  LEU  18          1HD1      LEU  18  -2.323   1.870   1.870
  159   2HD1  LEU  18          3HD1      LEU  18  -2.410   1.274   1.274
  160   3HD1  LEU  18          2HD1      LEU  18  -1.449   0.410   0.410
  161   1HD2  LEU  18          1HD2      LEU  18  -1.141   3.988   3.988
  162   2HD2  LEU  18          3HD2      LEU  18   0.102   3.033   3.033
  163   3HD2  LEU  18          2HD2      LEU  18  -1.571   2.475   2.475
  164    H    ARG  19           H        ARG  19   2.076   4.342   4.342
  165    HA   ARG  19           HA       ARG  19   4.454   3.569   3.569
  166   1HB   ARG  19          2HB       ARG  19   3.488   5.953   5.953
  167   2HB   ARG  19          1HB       ARG  19   5.204   5.792   5.792
  168   1HG   ARG  19          2HG       ARG  19   3.066   5.524   5.524
  169   2HG   ARG  19          1HG       ARG  19   3.781   7.081   7.081
  170   1HD   ARG  19          2HD       ARG  19   5.579   4.746   4.746
  171   2HD   ARG  19          1HD       ARG  19   4.863   5.700   5.700
  172    HE   ARG  19           HE       ARG  19   6.911   6.630   6.630
  173   1HH1  ARG  19          1HH2      ARG  19   4.203   7.609   7.609
  174   2HH1  ARG  19          2HH2      ARG  19   4.779   9.230   9.230
  175   1HH2  ARG  19          1HH1      ARG  19   7.620   8.737   8.737
  176   2HH2  ARG  19          2HH1      ARG  19   6.693   9.866   9.866
  177    H    ASP  20           H        ASP  20   3.219   3.539   3.539
  178    HA   ASP  20           HA       ASP  20   5.892   3.029   3.029
  179   1HB   ASP  20          2HB       ASP  20   4.125   4.410   4.410
  180   2HB   ASP  20          1HB       ASP  20   3.105   2.974   2.974
  181    H    PHE  21           H        PHE  21   3.036   1.219   1.219
  182    HA   PHE  21           HA       PHE  21   3.785  -1.265  -1.265
  183   1HB   PHE  21          2HB       PHE  21   1.471  -0.845  -0.845
  184   2HB   PHE  21          1HB       PHE  21   1.862  -0.473  -0.473
  185    HD1  PHE  21          1HD       PHE  21   2.352  -3.254  -3.254
  186    HD2  PHE  21          2HD       PHE  21   1.489  -2.129  -2.129
  187    HE1  PHE  21          1HE       PHE  21   2.132  -5.639  -5.639
  188    HE2  PHE  21          2HE       PHE  21   1.271  -4.520  -4.520
  189   1HZ   PHE  21           HZ       PHE  21   1.587  -6.282  -6.282
  190    H    ILE  22           H        ILE  22   4.097   0.142   0.142
  191    HA   ILE  22           HA       ILE  22   5.291  -2.103  -2.103
  192    HB   ILE  22           HB       ILE  22   4.478   0.488   0.488
  193   1HG1  ILE  22          2HG1      ILE  22   5.104  -0.222  -0.222
  194   2HG1  ILE  22          1HG1      ILE  22   5.846  -1.650  -1.650
  195   1HG2  ILE  22          1HG2      ILE  22   6.933   1.158   1.158
  196   2HG2  ILE  22          3HG2      ILE  22   7.309   0.305   0.305
  197   3HG2  ILE  22          2HG2      ILE  22   6.220   1.690   1.690
  198   1HD1  ILE  22          2HD1      ILE  22   3.485  -1.800  -1.800
  199   2HD1  ILE  22          1HD1      ILE  22   2.959  -0.901  -0.901
  200   3HD1  ILE  22          3HD1      ILE  22   3.722  -2.480  -2.480
  201    H    GLU  23           H        GLU  23   6.606   0.469   0.469
  202    HA   GLU  23           HA       GLU  23   9.392   0.017   0.017
  203   1HB   GLU  23          2HB       GLU  23   7.622   1.148   1.148
  204   2HB   GLU  23          1HB       GLU  23   9.327   0.889   0.889
  205   1HG   GLU  23          2HG       GLU  23   9.878   2.173   2.173
  206   2HG   GLU  23          1HG       GLU  23   8.169   2.596   2.596
  207    H    LYS  24           H        LYS  24   7.066  -1.369  -1.369
  208    HA   LYS  24           HA       LYS  24   9.063  -3.329  -3.329
  209   1HB   LYS  24          2HB       LYS  24   7.563  -2.100  -2.100
  210   2HB   LYS  24          1HB       LYS  24   6.159  -2.764  -2.764
  211   1HG   LYS  24          2HG       LYS  24   6.501  -4.907  -4.907
  212   2HG   LYS  24          1HG       LYS  24   8.230  -4.650  -4.650
  213   1HD   LYS  24          2HD       LYS  24   7.276  -4.637  -4.637
  214   2HD   LYS  24          1HD       LYS  24   7.586  -2.945  -2.945
  215   1HE   LYS  24          2HE       LYS  24   5.389  -2.742  -2.742
  216   2HE   LYS  24          1HE       LYS  24   5.075  -3.166  -3.166
  217   1HZ   LYS  24          3HZ       LYS  24   5.116  -5.521  -5.521
  218   2HZ   LYS  24          2HZ       LYS  24   5.276  -5.054  -5.054
  219   3HZ   LYS  24          1HZ       LYS  24   3.865  -4.666  -4.666
  220    H    PHE  25           H        PHE  25   7.420  -3.220  -3.220
  221    HA   PHE  25           HA       PHE  25   6.131  -5.890  -5.890
  222   1HB   PHE  25          2HB       PHE  25   4.980  -4.020  -4.020
  223   2HB   PHE  25          1HB       PHE  25   6.395  -3.631  -3.631
  224    HD1  PHE  25          2HD       PHE  25   5.045  -7.058  -7.058
  225    HD2  PHE  25          1HD       PHE  25   5.493  -3.769  -3.769
  226    HE1  PHE  25          2HE       PHE  25   4.218  -8.485  -8.485
  227    HE2  PHE  25          1HE       PHE  25   4.663  -5.197  -5.197
  228   1HZ   PHE  25           HZ       PHE  25   4.024  -7.555  -7.555
  229    H    LYS  26           H        LYS  26   9.246  -4.782  -4.782
  230    HA   LYS  26           HA       LYS  26  11.193  -5.774  -5.774
  231   1HB   LYS  26          2HB       LYS  26   9.577  -7.838  -7.838
  232   2HB   LYS  26          1HB       LYS  26   9.703  -8.153  -8.153
  233   1HG   LYS  26          2HG       LYS  26  12.276  -7.456  -7.456
  234   2HG   LYS  26          1HG       LYS  26  11.559  -8.929  -8.929
  235   1HD   LYS  26          2HD       LYS  26  11.844  -8.407  -8.407
  236   2HD   LYS  26          1HD       LYS  26  13.058  -9.269  -9.269
  237   1HE   LYS  26          2HE       LYS  26  10.173 -10.136 -10.136
  238   2HE   LYS  26          1HE       LYS  26  11.212 -10.677 -10.677
  239   1HZ   LYS  26          2HZ       LYS  26  11.908 -10.880 -10.880
  240   2HZ   LYS  26          1HZ       LYS  26  11.331 -12.169 -12.169
  241   3HZ   LYS  26          3HZ       LYS  26  12.830 -11.463 -11.463
  242    H    GLY  27           H        GLY  27   9.382  -4.098  -4.098
  243   1HA   GLY  27          2HA       GLY  27  10.464  -4.614  -4.614
  244   2HA   GLY  27          1HA       GLY  27   8.710  -4.769  -4.769
  245    H    ARG  28           H        ARG  28  10.846  -2.541  -2.541
  246    HA   ARG  28           HA       ARG  28   9.191  -0.277  -0.277
  247   1HB   ARG  28          2HB       ARG  28  11.302   0.957   0.957
  248   2HB   ARG  28          1HB       ARG  28  11.156  -0.512  -0.512
  249   1HG   ARG  28          2HG       ARG  28  12.930  -1.513  -1.513
  250   2HG   ARG  28          1HG       ARG  28  12.494  -0.882  -0.882
  251   1HD   ARG  28          2HD       ARG  28  13.229   1.421   1.421
  252   2HD   ARG  28          1HD       ARG  28  14.355   0.226   0.226
  253    HE   ARG  28           HE       ARG  28  14.046  -0.010  -0.010
  254   1HH1  ARG  28          1HH2      ARG  28  15.763   1.622   1.622
  255   2HH1  ARG  28          2HH2      ARG  28  17.126   1.977   1.977
  256   1HH2  ARG  28          1HH1      ARG  28  15.830   0.469   0.469
  257   2HH2  ARG  28          2HH1      ARG  28  17.168   1.331   1.331

  Start of MODEL   22
    1   1H    GLN   1          2HT       GLN   1 -13.866   1.890   1.890
    2   2H    GLN   1          1HT       GLN   1 -13.949   0.205   0.205
    3   3H    GLN   1          3HT       GLN   1 -12.457   0.948   0.948
    4    HA   GLN   1           HA       GLN   1 -12.543   0.411   0.411
    5   1HB   GLN   1          2HB       GLN   1 -15.051   0.274   0.274
    6   2HB   GLN   1          1HB       GLN   1 -15.105   2.036   2.036
    7   1HG   GLN   1          2HG       GLN   1 -13.486   0.686   0.686
    8   2HG   GLN   1          1HG       GLN   1 -15.242   0.599   0.599
    9   1HE2  GLN   1          2HE2      GLN   1 -15.517   4.260   4.260
   10   2HE2  GLN   1          1HE2      GLN   1 -16.238   2.985   2.985
   11    H    GLN   2           H        GLN   2 -10.737   1.701   1.701
   12    HA   GLN   2           HA       GLN   2 -11.176   4.668   4.668
   13   1HB   GLN   2          2HB       GLN   2  -8.776   3.092   3.092
   14   2HB   GLN   2          1HB       GLN   2  -8.863   4.850   4.850
   15   1HG   GLN   2          2HG       GLN   2 -11.008   3.401   3.401
   16   2HG   GLN   2          1HG       GLN   2  -9.428   3.594   3.594
   17   1HE2  GLN   2          2HE2      GLN   2 -10.336   6.830   6.830
   18   2HE2  GLN   2          1HE2      GLN   2  -9.658   5.327   5.327
   19    H    TYR   3           H        TYR   3  -8.609   2.319   2.319
   20    HA   TYR   3           HA       TYR   3  -8.582   3.513   3.513
   21   1HB   TYR   3          2HB       TYR   3  -6.438   2.522   2.522
   22   2HB   TYR   3          1HB       TYR   3  -6.133   2.698   2.698
   23    HD1  TYR   3          2HD       TYR   3  -7.647   4.593   4.593
   24    HD2  TYR   3          1HD       TYR   3  -5.336   4.753   4.753
   25    HE1  TYR   3          2HE       TYR   3  -7.339   7.028   7.028
   26    HE2  TYR   3          1HE       TYR   3  -5.011   7.184   7.184
   27    HH   TYR   3           HH       TYR   3  -6.821   9.057   9.057
   28    H    THR   4           H        THR   4  -9.258   2.077   2.077
   29    HA   THR   4           HA       THR   4  -9.633  -0.745  -0.745
   30    HB   THR   4           HB       THR   4  -9.595   0.617   0.617
   31    HG1  THR   4          1HG       THR   4 -10.955   1.929   1.929
   32   1HG2  THR   4          2HG2      THR   4 -10.889  -1.801  -1.801
   33   2HG2  THR   4          1HG2      THR   4 -11.677  -0.982  -0.982
   34   3HG2  THR   4          3HG2      THR   4 -10.054  -1.643  -1.643
   35    H    ALA   5           H        ALA   5  -6.869   1.022   1.022
   36    HA   ALA   5           HA       ALA   5  -5.537  -0.647  -0.647
   37   1HB   ALA   5          1HB       ALA   5  -4.895   1.433   1.433
   38   2HB   ALA   5          3HB       ALA   5  -3.555   0.351   0.351
   39   3HB   ALA   5          2HB       ALA   5  -4.334   1.262   1.262
   40    H    LYS   6           H        LYS   6  -5.967  -2.872  -2.872
   41    HA   LYS   6           HA       LYS   6  -4.965  -3.836  -3.836
   42   1HB   LYS   6          2HB       LYS   6  -6.561  -4.873  -4.873
   43   2HB   LYS   6          1HB       LYS   6  -5.782  -6.043  -6.043
   44   1HG   LYS   6          2HG       LYS   6  -6.842  -4.647  -4.647
   45   2HG   LYS   6          1HG       LYS   6  -7.897  -4.006  -4.006
   46   1HD   LYS   6          2HD       LYS   6  -8.540  -6.324  -6.324
   47   2HD   LYS   6          1HD       LYS   6  -7.531  -6.935  -6.935
   48   1HE   LYS   6          2HE       LYS   6  -9.410  -6.768  -6.768
   49   2HE   LYS   6          1HE       LYS   6  -9.112  -5.018  -5.018
   50   1HZ   LYS   6          1HZ       LYS   6 -10.346  -4.874  -4.874
   51   2HZ   LYS   6          3HZ       LYS   6 -10.661  -6.539  -6.539
   52   3HZ   LYS   6          2HZ       LYS   6 -11.322  -5.517  -5.517
   53    H    ILE   7           H        ILE   7  -2.666  -3.218  -3.218
   54    HA   ILE   7           HA       ILE   7  -1.202  -4.282  -4.282
   55    HB   ILE   7           HB       ILE   7  -0.432  -3.614  -3.614
   56   1HG1  ILE   7          2HG1      ILE   7  -0.154  -2.028  -2.028
   57   2HG1  ILE   7          1HG1      ILE   7  -1.454  -1.805  -1.805
   58   1HG2  ILE   7          3HG2      ILE   7   1.234  -4.336  -4.336
   59   2HG2  ILE   7          2HG2      ILE   7   1.858  -3.207  -3.207
   60   3HG2  ILE   7          1HG2      ILE   7   1.424  -4.849  -4.849
   61   1HD1  ILE   7          2HD1      ILE   7   1.264  -1.772  -1.772
   62   2HD1  ILE   7          1HD1      ILE   7   0.912  -0.435  -0.435
   63   3HD1  ILE   7          3HD1      ILE   7  -0.108  -0.711  -0.711
   64    H    LYS   8           H        LYS   8  -0.481  -5.542  -5.542
   65    HA   LYS   8           HA       LYS   8   0.003  -8.193  -8.193
   66   1HB   LYS   8          2HB       LYS   8   1.433  -7.143  -7.143
   67   2HB   LYS   8          1HB       LYS   8   0.058  -7.039  -7.039
   68   1HG   LYS   8          2HG       LYS   8   1.409  -8.974  -8.974
   69   2HG   LYS   8          1HG       LYS   8  -0.130  -9.528  -9.528
   70   1HD   LYS   8          2HD       LYS   8   1.537  -9.293  -9.293
   71   2HD   LYS   8          1HD       LYS   8   2.580  -9.969  -9.969
   72   1HE   LYS   8          2HE       LYS   8   1.464 -11.963 -11.963
   73   2HE   LYS   8          1HE       LYS   8  -0.121 -11.182 -11.182
   74   1HZ   LYS   8          3HZ       LYS   8   1.889 -11.302 -11.302
   75   2HZ   LYS   8          2HZ       LYS   8   0.613 -12.413 -12.413
   76   3HZ   LYS   8          1HZ       LYS   8   0.282 -10.769 -10.769
   77    H    GLY   9           H        GLY   9  -2.636  -6.540  -6.540
   78   1HA   GLY   9          2HA       GLY   9  -4.812  -7.893  -7.893
   79   2HA   GLY   9          1HA       GLY   9  -4.005  -9.122  -9.122
   80    H    ARG  10           H        ARG  10  -4.351  -5.568  -5.568
   81    HA   ARG  10           HA       ARG  10  -5.736  -5.871  -5.871
   82   1HB   ARG  10          2HB       ARG  10  -3.872  -4.092  -4.092
   83   2HB   ARG  10          1HB       ARG  10  -3.672  -5.827  -5.827
   84   1HG   ARG  10          2HG       ARG  10  -2.368  -5.901  -5.901
   85   2HG   ARG  10          1HG       ARG  10  -2.506  -4.147  -4.147
   86   1HD   ARG  10          2HD       ARG  10  -0.512  -4.205  -4.205
   87   2HD   ARG  10          1HD       ARG  10  -1.568  -4.425  -4.425
   88    HE   ARG  10           HE       ARG  10  -0.985  -6.924  -6.924
   89   1HH1  ARG  10          1HH2      ARG  10   0.115  -4.680  -4.680
   90   2HH1  ARG  10          2HH2      ARG  10   1.030  -5.886  -5.886
   91   1HH2  ARG  10          1HH1      ARG  10   0.211  -8.450  -8.450
   92   2HH2  ARG  10          2HH1      ARG  10   1.083  -7.998  -7.998
   93    H    THR  11           H        THR  11  -6.848  -3.996  -3.996
   94    HA   THR  11           HA       THR  11  -7.318  -1.975  -1.975
   95    HB   THR  11           HB       THR  11  -8.320  -2.170  -2.170
   96    HG1  THR  11          1HG       THR  11  -9.515  -3.144  -3.144
   97   1HG2  THR  11          3HG2      THR  11  -8.950  -0.481  -0.481
   98   2HG2  THR  11          2HG2      THR  11 -10.327  -1.058  -1.058
   99   3HG2  THR  11          1HG2      THR  11  -9.066  -0.102  -0.102
  100    H    PHE  12           H        PHE  12  -6.291   0.051   0.051
  101    HA   PHE  12           HA       PHE  12  -4.276   0.456   0.456
  102   1HB   PHE  12          2HB       PHE  12  -4.767   1.563   1.563
  103   2HB   PHE  12          1HB       PHE  12  -3.528   2.227   2.227
  104    HD1  PHE  12          1HD       PHE  12  -4.755  -1.137  -1.137
  105    HD2  PHE  12          2HD       PHE  12  -1.397   1.323   1.323
  106    HE1  PHE  12          1HE       PHE  12  -3.229  -2.957  -2.957
  107    HE2  PHE  12          2HE       PHE  12   0.134  -0.522  -0.522
  108   1HZ   PHE  12           HZ       PHE  12  -0.788  -2.656  -2.656
  109    H    ARG  13           H        ARG  13  -4.312   2.232   2.232
  110    HA   ARG  13           HA       ARG  13  -6.855   3.593   3.593
  111   1HB   ARG  13          2HB       ARG  13  -4.091   3.860   3.860
  112   2HB   ARG  13          1HB       ARG  13  -5.527   4.671   4.671
  113   1HG   ARG  13          2HG       ARG  13  -6.627   2.466   2.466
  114   2HG   ARG  13          1HG       ARG  13  -5.159   1.673   1.673
  115   1HD   ARG  13          2HD       ARG  13  -3.884   2.605   2.605
  116   2HD   ARG  13          1HD       ARG  13  -5.326   3.474   3.474
  117    HE   ARG  13           HE       ARG  13  -5.781   0.611   0.611
  118   1HH1  ARG  13          1HH2      ARG  13  -4.696   3.076   3.076
  119   2HH1  ARG  13          2HH2      ARG  13  -5.055   2.116   2.116
  120   1HH2  ARG  13          1HH1      ARG  13  -6.228  -0.596  -0.596
  121   2HH2  ARG  13          2HH1      ARG  13  -5.912   0.059   0.059
  122    H    ASN  14           H        ASN  14  -3.727   4.465   4.465
  123    HA   ASN  14           HA       ASN  14  -4.955   6.947   6.947
  124   1HB   ASN  14          2HB       ASN  14  -3.065   8.280   8.280
  125   2HB   ASN  14          1HB       ASN  14  -3.974   7.512   7.512
  126   1HD2  ASN  14          2HD2      ASN  14  -1.305   5.331   5.331
  127   2HD2  ASN  14          1HD2      ASN  14  -2.976   5.598   5.598
  128    H    GLU  15           H        GLU  15  -3.530   7.946   7.946
  129    HA   GLU  15           HA       GLU  15  -2.528   6.050   6.050
  130   1HB   GLU  15          2HB       GLU  15  -3.388   8.407   8.407
  131   2HB   GLU  15          1HB       GLU  15  -1.831   8.982   8.982
  132   1HG   GLU  15          2HG       GLU  15  -0.665   7.759   7.759
  133   2HG   GLU  15          1HG       GLU  15  -2.209   7.145   7.145
  134    H    LYS  16           H        LYS  16  -0.886   8.045   8.045
  135    HA   LYS  16           HA       LYS  16   1.807   7.591   7.591
  136   1HB   LYS  16          2HB       LYS  16   0.507   8.932   8.932
  137   2HB   LYS  16          1HB       LYS  16   1.094   7.556   7.556
  138   1HG   LYS  16          2HG       LYS  16   3.366   8.022   8.022
  139   2HG   LYS  16          1HG       LYS  16   2.902   9.159   9.159
  140   1HD   LYS  16          2HD       LYS  16   2.077   9.640   9.640
  141   2HD   LYS  16          1HD       LYS  16   3.681  10.114  10.114
  142   1HE   LYS  16          2HE       LYS  16   1.377  10.911  10.911
  143   2HE   LYS  16          1HE       LYS  16   1.584  11.784  11.784
  144   1HZ   LYS  16          3HZ       LYS  16   3.814  11.257  11.257
  145   2HZ   LYS  16          2HZ       LYS  16   2.904  12.692  12.692
  146   3HZ   LYS  16          1HZ       LYS  16   3.822  12.286  12.286
  147    H    GLU  17           H        GLU  17  -0.343   5.645   5.645
  148    HA   GLU  17           HA       GLU  17   1.531   3.601   3.601
  149   1HB   GLU  17          2HB       GLU  17  -1.181   4.201   4.201
  150   2HB   GLU  17          1HB       GLU  17  -1.209   2.667   2.667
  151   1HG   GLU  17          2HG       GLU  17   0.702   2.051   2.051
  152   2HG   GLU  17          1HG       GLU  17  -0.110   3.291   3.291
  153    H    LEU  18           H        LEU  18  -0.566   4.039   4.039
  154    HA   LEU  18           HA       LEU  18  -0.153   1.559   1.559
  155   1HB   LEU  18          2HB       LEU  18  -1.189   4.198   4.198
  156   2HB   LEU  18          1HB       LEU  18  -0.130   3.786   3.786
  157    HG   LEU  18           HG       LEU  18  -2.296   3.058   3.058
  158   1HD1  LEU  18          3HD1      LEU  18  -0.207   1.201   1.201
  159   2HD1  LEU  18          2HD1      LEU  18  -1.669   0.366   0.366
  160   3HD1  LEU  18          1HD1      LEU  18  -1.587   1.068   1.068
  161   1HD2  LEU  18          3HD2      LEU  18  -2.480   2.389   2.389
  162   2HD2  LEU  18          2HD2      LEU  18  -3.734   2.928   2.928
  163   3HD2  LEU  18          1HD2      LEU  18  -3.263   1.228   1.228
  164    H    ARG  19           H        ARG  19   1.776   4.471   4.471
  165    HA   ARG  19           HA       ARG  19   3.908   3.493   3.493
  166   1HB   ARG  19          2HB       ARG  19   3.073   5.802   5.802
  167   2HB   ARG  19          1HB       ARG  19   3.444   6.042   6.042
  168   1HG   ARG  19          2HG       ARG  19   5.732   6.155   6.155
  169   2HG   ARG  19          1HG       ARG  19   5.650   5.138   5.138
  170   1HD   ARG  19          2HD       ARG  19   4.381   7.076   7.076
  171   2HD   ARG  19          1HD       ARG  19   4.926   8.066   8.066
  172    HE   ARG  19           HE       ARG  19   7.073   6.497   6.497
  173   1HH1  ARG  19          1HH2      ARG  19   5.283   9.500   9.500
  174   2HH1  ARG  19          2HH2      ARG  19   6.567  10.348  10.348
  175   1HH2  ARG  19          1HH1      ARG  19   8.706   7.634   7.634
  176   2HH2  ARG  19          2HH1      ARG  19   8.484   9.306   9.306
  177    H    ASP  20           H        ASP  20   3.206   3.633   3.633
  178    HA   ASP  20           HA       ASP  20   6.090   3.240   3.240
  179   1HB   ASP  20          2HB       ASP  20   4.299   4.912   4.912
  180   2HB   ASP  20          1HB       ASP  20   3.908   3.500   3.500
  181    H    PHE  21           H        PHE  21   3.296   1.351   1.351
  182    HA   PHE  21           HA       PHE  21   3.878  -0.695  -0.695
  183   1HB   PHE  21          2HB       PHE  21   1.593  -0.399  -0.399
  184   2HB   PHE  21          1HB       PHE  21   2.031  -0.413  -0.413
  185    HD1  PHE  21          2HD       PHE  21   2.868  -2.669  -2.669
  186    HD2  PHE  21          1HD       PHE  21   1.177  -2.295  -2.295
  187    HE1  PHE  21          2HE       PHE  21   2.588  -5.125  -5.125
  188    HE2  PHE  21          1HE       PHE  21   0.918  -4.756  -4.756
  189   1HZ   PHE  21           HZ       PHE  21   1.610  -6.176  -6.176
  190    H    ILE  22           H        ILE  22   3.987  -0.471  -0.471
  191    HA   ILE  22           HA       ILE  22   5.310  -2.888  -2.888
  192    HB   ILE  22           HB       ILE  22   5.406  -0.177  -0.177
  193   1HG1  ILE  22          2HG1      ILE  22   3.822  -2.668  -2.668
  194   2HG1  ILE  22          1HG1      ILE  22   3.186  -1.323  -1.323
  195   1HG2  ILE  22          3HG2      ILE  22   7.314  -1.606  -1.606
  196   2HG2  ILE  22          2HG2      ILE  22   6.168  -2.878  -2.878
  197   3HG2  ILE  22          1HG2      ILE  22   6.150  -1.345  -1.345
  198   1HD1  ILE  22          3HD1      ILE  22   4.451  -0.680  -0.680
  199   2HD1  ILE  22          2HD1      ILE  22   2.862  -1.445  -1.445
  200   3HD1  ILE  22          1HD1      ILE  22   3.086   0.092   0.092
  201    H    GLU  23           H        GLU  23   6.568   0.178   0.178
  202    HA   GLU  23           HA       GLU  23   9.361  -0.316  -0.316
  203   1HB   GLU  23          2HB       GLU  23   7.978   1.800   1.800
  204   2HB   GLU  23          1HB       GLU  23   8.242   1.175   1.175
  205   1HG   GLU  23          2HG       GLU  23  10.452   1.685   1.685
  206   2HG   GLU  23          1HG       GLU  23  10.002   2.805   2.805
  207    H    LYS  24           H        LYS  24   7.111  -1.001  -1.001
  208    HA   LYS  24           HA       LYS  24   9.163  -2.588  -2.588
  209   1HB   LYS  24          2HB       LYS  24   6.310  -1.726  -1.726
  210   2HB   LYS  24          1HB       LYS  24   7.332  -2.628  -2.628
  211   1HG   LYS  24          2HG       LYS  24   9.046  -0.694  -0.694
  212   2HG   LYS  24          1HG       LYS  24   7.642   0.203   0.203
  213   1HD   LYS  24          2HD       LYS  24   7.604  -1.234  -1.234
  214   2HD   LYS  24          1HD       LYS  24   8.217   0.412   0.412
  215   1HE   LYS  24          2HE       LYS  24   5.536  -0.236  -0.236
  216   2HE   LYS  24          1HE       LYS  24   5.663   0.032   0.032
  217   1HZ   LYS  24          3HZ       LYS  24   6.836   2.098   2.098
  218   2HZ   LYS  24          2HZ       LYS  24   6.713   1.850   1.850
  219   3HZ   LYS  24          1HZ       LYS  24   5.315   2.124   2.124
  220    H    PHE  25           H        PHE  25   7.565  -3.286  -3.286
  221    HA   PHE  25           HA       PHE  25   6.771  -6.027  -6.027
  222   1HB   PHE  25          2HB       PHE  25   4.714  -4.873  -4.873
  223   2HB   PHE  25          1HB       PHE  25   5.297  -3.934  -3.934
  224    HD1  PHE  25          1HD       PHE  25   5.352  -7.599  -7.599
  225    HD2  PHE  25          2HD       PHE  25   4.006  -4.431  -4.431
  226    HE1  PHE  25          1HE       PHE  25   4.494  -9.277  -9.277
  227    HE2  PHE  25          2HE       PHE  25   3.108  -6.119  -6.119
  228   1HZ   PHE  25           HZ       PHE  25   3.354  -8.542  -8.542
  229    H    LYS  26           H        LYS  26   9.301  -5.185  -5.185
  230    HA   LYS  26           HA       LYS  26   9.351  -5.993  -5.993
  231   1HB   LYS  26          2HB       LYS  26  10.799  -4.191  -4.191
  232   2HB   LYS  26          1HB       LYS  26  11.803  -5.615  -5.615
  233   1HG   LYS  26          2HG       LYS  26  11.649  -5.974  -5.974
  234   2HG   LYS  26          1HG       LYS  26  11.080  -4.305  -4.305
  235   1HD   LYS  26          2HD       LYS  26  13.640  -5.106  -5.106
  236   2HD   LYS  26          1HD       LYS  26  13.591  -4.611  -4.611
  237   1HE   LYS  26          2HE       LYS  26  12.171  -2.579  -2.579
  238   2HE   LYS  26          1HE       LYS  26  13.291  -2.963  -2.963
  239   1HZ   LYS  26          2HZ       LYS  26  15.108  -2.961  -2.961
  240   2HZ   LYS  26          1HZ       LYS  26  14.016  -2.450  -2.450
  241   3HZ   LYS  26          3HZ       LYS  26  14.356  -1.442  -1.442
  242    H    GLY  27           H        GLY  27   8.230  -7.941  -7.941
  243   1HA   GLY  27          2HA       GLY  27   8.526 -10.294 -10.294
  244   2HA   GLY  27          1HA       GLY  27  10.269 -10.038 -10.038
  245    H    ARG  28           H        ARG  28   8.223  -7.955  -7.955
  246    HA   ARG  28           HA       ARG  28   7.993  -7.658  -7.658
  247   1HB   ARG  28          2HB       ARG  28   6.930 -10.117 -10.117
  248   2HB   ARG  28          1HB       ARG  28   7.790 -10.505 -10.505
  249   1HG   ARG  28          2HG       ARG  28   6.348  -9.307  -9.307
  250   2HG   ARG  28          1HG       ARG  28   6.164  -8.032  -8.032
  251   1HD   ARG  28          2HD       ARG  28   4.097  -8.928  -8.928
  252   2HD   ARG  28          1HD       ARG  28   4.956 -10.218 -10.218
  253    HE   ARG  28           HE       ARG  28   4.972 -10.672 -10.672
  254   1HH1  ARG  28          1HH2      ARG  28   3.000 -10.961 -10.961
  255   2HH1  ARG  28          2HH2      ARG  28   2.059 -12.255 -12.255
  256   1HH2  ARG  28          1HH1      ARG  28   3.729 -12.342 -12.342
  257   2HH2  ARG  28          2HH1      ARG  28   2.465 -13.029 -13.029

  Start of MODEL   23
    1   1H    GLN   1          2HT       GLN   1 -11.159   9.595   9.595
    2   2H    GLN   1          1HT       GLN   1  -9.793  10.604  10.604
    3   3H    GLN   1          3HT       GLN   1  -9.908   9.355   9.355
    4    HA   GLN   1           HA       GLN   1  -8.388   8.727   8.727
    5   1HB   GLN   1          2HB       GLN   1  -9.619  10.300  10.300
    6   2HB   GLN   1          1HB       GLN   1 -10.854   9.051   9.051
    7   1HG   GLN   1          2HG       GLN   1  -8.473   7.666   7.666
    8   2HG   GLN   1          1HG       GLN   1  -8.197   9.213   9.213
    9   1HE2  GLN   1          2HE2      GLN   1 -10.766   6.545   6.545
   10   2HE2  GLN   1          1HE2      GLN   1  -9.909   6.193   6.193
   11    H    GLN   2           H        GLN   2  -8.830   6.971   6.971
   12    HA   GLN   2           HA       GLN   2  -9.792   4.583   4.583
   13   1HB   GLN   2          2HB       GLN   2 -11.824   4.278   4.278
   14   2HB   GLN   2          1HB       GLN   2 -12.007   5.554   5.554
   15   1HG   GLN   2          2HG       GLN   2 -12.294   7.114   7.114
   16   2HG   GLN   2          1HG       GLN   2 -10.817   6.619   6.619
   17   1HE2  GLN   2          2HE2      GLN   2 -14.422   5.384   5.384
   18   2HE2  GLN   2          1HE2      GLN   2 -14.308   6.344   6.344
   19    H    TYR   3           H        TYR   3  -7.971   3.651   3.651
   20    HA   TYR   3           HA       TYR   3  -7.508   3.820   3.820
   21   1HB   TYR   3          2HB       TYR   3  -5.830   2.903   2.903
   22   2HB   TYR   3          1HB       TYR   3  -5.276   2.878   2.878
   23    HD1  TYR   3          2HD       TYR   3  -6.736   5.124   5.124
   24    HD2  TYR   3          1HD       TYR   3  -4.368   4.822   4.822
   25    HE1  TYR   3          2HE       TYR   3  -6.264   7.537   7.537
   26    HE2  TYR   3          1HE       TYR   3  -3.870   7.248   7.248
   27    HH   TYR   3           HH       TYR   3  -5.579   9.389   9.389
   28    H    THR   4           H        THR   4  -8.351   2.226   2.226
   29    HA   THR   4           HA       THR   4  -9.309  -0.279  -0.279
   30    HB   THR   4           HB       THR   4  -8.777   0.510   0.510
   31    HG1  THR   4          1HG       THR   4 -10.385   1.835   1.835
   32   1HG2  THR   4          2HG2      THR   4 -10.406  -1.590  -1.590
   33   2HG2  THR   4          1HG2      THR   4 -10.996  -0.920  -0.920
   34   3HG2  THR   4          3HG2      THR   4  -9.424  -1.718  -1.718
   35    H    ALA   5           H        ALA   5  -6.176   0.723   0.723
   36    HA   ALA   5           HA       ALA   5  -4.923  -1.350  -1.350
   37   1HB   ALA   5          1HB       ALA   5  -4.243   0.706   0.706
   38   2HB   ALA   5          3HB       ALA   5  -3.156  -0.683  -0.683
   39   3HB   ALA   5          2HB       ALA   5  -3.363   0.213   0.213
   40    H    LYS   6           H        LYS   6  -5.842  -3.429  -3.429
   41    HA   LYS   6           HA       LYS   6  -5.482  -4.379  -4.379
   42   1HB   LYS   6          2HB       LYS   6  -6.864  -6.296  -6.296
   43   2HB   LYS   6          1HB       LYS   6  -7.655  -4.747  -4.747
   44   1HG   LYS   6          2HG       LYS   6  -7.497  -4.923  -4.923
   45   2HG   LYS   6          1HG       LYS   6  -5.898  -5.661  -5.661
   46   1HD   LYS   6          2HD       LYS   6  -7.348  -7.667  -7.667
   47   2HD   LYS   6          1HD       LYS   6  -8.578  -6.946  -6.946
   48   1HE   LYS   6          2HE       LYS   6  -5.922  -7.265  -7.265
   49   2HE   LYS   6          1HE       LYS   6  -6.766  -8.779  -8.779
   50   1HZ   LYS   6          3HZ       LYS   6  -8.008  -6.454  -6.454
   51   2HZ   LYS   6          2HZ       LYS   6  -7.443  -7.847  -7.847
   52   3HZ   LYS   6          1HZ       LYS   6  -8.738  -7.955  -7.955
   53    H    ILE   7           H        ILE   7  -3.126  -3.901  -3.901
   54    HA   ILE   7           HA       ILE   7  -1.829  -5.681  -5.681
   55    HB   ILE   7           HB       ILE   7  -0.753  -3.754  -3.754
   56   1HG1  ILE   7          2HG1      ILE   7   0.762  -5.953  -5.953
   57   2HG1  ILE   7          1HG1      ILE   7   0.803  -5.670  -5.670
   58   1HG2  ILE   7          3HG2      ILE   7  -1.565  -4.621  -4.621
   59   2HG2  ILE   7          2HG2      ILE   7  -0.043  -3.741  -3.741
   60   3HG2  ILE   7          1HG2      ILE   7  -1.530  -3.015  -3.015
   61   1HD1  ILE   7          1HD1      ILE   7   1.427  -3.487  -3.487
   62   2HD1  ILE   7          3HD1      ILE   7   2.669  -4.595  -4.595
   63   3HD1  ILE   7          2HD1      ILE   7   1.818  -3.544  -3.544
   64    H    LYS   8           H        LYS   8  -0.703  -6.286  -6.286
   65    HA   LYS   8           HA       LYS   8  -0.542  -9.100  -9.100
   66   1HB   LYS   8          2HB       LYS   8   0.273  -7.160  -7.160
   67   2HB   LYS   8          1HB       LYS   8  -0.606  -8.394  -8.394
   68   1HG   LYS   8          2HG       LYS   8   1.512  -9.128  -9.128
   69   2HG   LYS   8          1HG       LYS   8   1.930  -8.752  -8.752
   70   1HD   LYS   8          2HD       LYS   8  -0.325 -10.640 -10.640
   71   2HD   LYS   8          1HD       LYS   8   1.227 -11.247 -11.247
   72   1HE   LYS   8          2HE       LYS   8   1.367 -11.842 -11.842
   73   2HE   LYS   8          1HE       LYS   8   2.071 -10.214 -10.214
   74   1HZ   LYS   8          3HZ       LYS   8  -0.843 -10.714 -10.714
   75   2HZ   LYS   8          2HZ       LYS   8   0.182 -10.653 -10.653
   76   3HZ   LYS   8          1HZ       LYS   8   0.001  -9.287  -9.287
   77    H    GLY   9           H        GLY   9  -3.052  -7.016  -7.016
   78   1HA   GLY   9          2HA       GLY   9  -5.334  -8.265  -8.265
   79   2HA   GLY   9          1HA       GLY   9  -4.642  -9.324  -9.324
   80    H    ARG  10           H        ARG  10  -4.464  -5.792  -5.792
   81    HA   ARG  10           HA       ARG  10  -6.100  -5.332  -5.332
   82   1HB   ARG  10          2HB       ARG  10  -4.056  -3.956  -3.956
   83   2HB   ARG  10          1HB       ARG  10  -4.109  -5.698  -5.698
   84   1HG   ARG  10          2HG       ARG  10  -2.605  -6.060  -6.060
   85   2HG   ARG  10          1HG       ARG  10  -2.617  -4.332  -4.332
   86   1HD   ARG  10          2HD       ARG  10  -0.621  -4.627  -4.627
   87   2HD   ARG  10          1HD       ARG  10  -1.786  -4.061  -4.061
   88    HE   ARG  10           HE       ARG  10  -2.127  -6.816  -6.816
   89   1HH1  ARG  10          1HH2      ARG  10   0.599  -4.673  -4.673
   90   2HH1  ARG  10          2HH2      ARG  10   1.423  -5.784  -5.784
   91   1HH2  ARG  10          1HH1      ARG  10  -1.027  -8.219  -8.219
   92   2HH2  ARG  10          2HH1      ARG  10   0.515  -7.770  -7.770
   93    H    THR  11           H        THR  11  -7.363  -3.663  -3.663
   94    HA   THR  11           HA       THR  11  -6.417  -1.727  -1.727
   95    HB   THR  11           HB       THR  11  -8.638  -0.623  -0.623
   96    HG1  THR  11          1HG       THR  11  -9.358  -1.663  -1.663
   97   1HG2  THR  11          1HG2      THR  11  -8.112  -2.267  -2.267
   98   2HG2  THR  11          3HG2      THR  11  -9.236  -3.278  -3.278
   99   3HG2  THR  11          2HG2      THR  11  -9.732  -1.673  -1.673
  100    H    PHE  12           H        PHE  12  -5.713   0.411   0.411
  101    HA   PHE  12           HA       PHE  12  -4.795   0.731   0.731
  102   1HB   PHE  12          2HB       PHE  12  -3.940   1.646   1.646
  103   2HB   PHE  12          1HB       PHE  12  -3.415   2.560   2.560
  104    HD1  PHE  12          1HD       PHE  12  -3.529  -0.928  -0.928
  105    HD2  PHE  12          2HD       PHE  12  -1.654   1.791   1.791
  106    HE1  PHE  12          1HE       PHE  12  -1.728  -2.589  -2.589
  107    HE2  PHE  12          2HE       PHE  12   0.099   0.111   0.111
  108   1HZ   PHE  12           HZ       PHE  12   0.050  -2.071  -2.071
  109    H    ARG  13           H        ARG  13  -5.004   2.761   2.761
  110    HA   ARG  13           HA       ARG  13  -7.542   4.135   4.135
  111   1HB   ARG  13          2HB       ARG  13  -6.241   3.486   3.486
  112   2HB   ARG  13          1HB       ARG  13  -5.396   5.010   5.010
  113   1HG   ARG  13          2HG       ARG  13  -7.598   6.172   6.172
  114   2HG   ARG  13          1HG       ARG  13  -8.394   4.646   4.646
  115   1HD   ARG  13          2HD       ARG  13  -7.445   4.578   4.578
  116   2HD   ARG  13          1HD       ARG  13  -6.239   5.816   5.816
  117    HE   ARG  13           HE       ARG  13  -8.641   7.091   7.091
  118   1HH1  ARG  13          1HH2      ARG  13  -7.334   5.369   5.369
  119   2HH1  ARG  13          2HH2      ARG  13  -8.214   6.326   6.326
  120   1HH2  ARG  13          1HH1      ARG  13  -9.758   8.301   8.301
  121   2HH2  ARG  13          2HH1      ARG  13  -9.571   7.968   7.968
  122    H    ASN  14           H        ASN  14  -4.127   5.249   5.249
  123    HA   ASN  14           HA       ASN  14  -4.896   7.524   7.524
  124   1HB   ASN  14          2HB       ASN  14  -3.111   8.771   8.771
  125   2HB   ASN  14          1HB       ASN  14  -4.289   8.153   8.153
  126   1HD2  ASN  14          2HD2      ASN  14  -1.983   5.970   5.970
  127   2HD2  ASN  14          1HD2      ASN  14  -3.614   6.405   6.405
  128    H    GLU  15           H        GLU  15  -3.164   8.217   8.217
  129    HA   GLU  15           HA       GLU  15  -1.992   6.093   6.093
  130   1HB   GLU  15          2HB       GLU  15  -2.557   8.405   8.405
  131   2HB   GLU  15          1HB       GLU  15  -1.191   9.010   9.010
  132   1HG   GLU  15          2HG       GLU  15   0.390   7.949   7.949
  133   2HG   GLU  15          1HG       GLU  15  -0.809   6.839   6.839
  134    H    LYS  16           H        LYS  16  -0.637   8.201   8.201
  135    HA   LYS  16           HA       LYS  16   2.091   7.579   7.579
  136   1HB   LYS  16          2HB       LYS  16   0.502   9.050   9.050
  137   2HB   LYS  16          1HB       LYS  16   0.899   7.726   7.726
  138   1HG   LYS  16          2HG       LYS  16   3.245   8.131   8.131
  139   2HG   LYS  16          1HG       LYS  16   3.005   9.222   9.222
  140   1HD   LYS  16          2HD       LYS  16   1.888  10.844  10.844
  141   2HD   LYS  16          1HD       LYS  16   1.960   9.735   9.735
  142   1HE   LYS  16          2HE       LYS  16   4.452   9.798   9.798
  143   2HE   LYS  16          1HE       LYS  16   4.339  10.990  10.990
  144   1HZ   LYS  16          3HZ       LYS  16   3.101  11.276  11.276
  145   2HZ   LYS  16          2HZ       LYS  16   4.519  12.063  12.063
  146   3HZ   LYS  16          1HZ       LYS  16   3.033  12.415  12.415
  147    H    GLU  17           H        GLU  17  -0.359   5.870   5.870
  148    HA   GLU  17           HA       GLU  17   1.443   3.780   3.780
  149   1HB   GLU  17          2HB       GLU  17  -0.823   4.538   4.538
  150   2HB   GLU  17          1HB       GLU  17  -1.570   3.604   3.604
  151   1HG   GLU  17          2HG       GLU  17  -1.490   2.061   2.061
  152   2HG   GLU  17          1HG       GLU  17  -0.040   1.669   1.669
  153    H    LEU  18           H        LEU  18  -0.886   4.083   4.083
  154    HA   LEU  18           HA       LEU  18  -0.572   1.459   1.459
  155   1HB   LEU  18          2HB       LEU  18  -2.364   2.963   2.963
  156   2HB   LEU  18          1HB       LEU  18  -1.208   4.186   4.186
  157    HG   LEU  18           HG       LEU  18  -0.411   2.697   2.697
  158   1HD1  LEU  18          3HD1      LEU  18  -0.899   0.561   0.561
  159   2HD1  LEU  18          2HD1      LEU  18  -2.612   0.813   0.813
  160   3HD1  LEU  18          1HD1      LEU  18  -1.484   0.560   0.560
  161   1HD2  LEU  18          3HD2      LEU  18  -3.343   3.318   3.318
  162   2HD2  LEU  18          2HD2      LEU  18  -2.120   4.090   4.090
  163   3HD2  LEU  18          1HD2      LEU  18  -2.725   2.488   2.488
  164    H    ARG  19           H        ARG  19   1.439   4.320   4.320
  165    HA   ARG  19           HA       ARG  19   3.238   3.255   3.255
  166   1HB   ARG  19          2HB       ARG  19   2.534   5.631   5.631
  167   2HB   ARG  19          1HB       ARG  19   3.221   5.806   5.806
  168   1HG   ARG  19          2HG       ARG  19   5.441   5.500   5.500
  169   2HG   ARG  19          1HG       ARG  19   4.881   4.869   4.869
  170   1HD   ARG  19          2HD       ARG  19   3.708   7.250   7.250
  171   2HD   ARG  19          1HD       ARG  19   4.998   7.708   7.708
  172    HE   ARG  19           HE       ARG  19   6.041   6.098   6.098
  173   1HH1  ARG  19          1HH2      ARG  19   4.988   9.331   9.331
  174   2HH1  ARG  19          2HH2      ARG  19   5.981  10.070  10.070
  175   1HH2  ARG  19          1HH1      ARG  19   7.309   7.097   7.097
  176   2HH2  ARG  19          2HH1      ARG  19   7.284   8.820   8.820
  177    H    ASP  20           H        ASP  20   2.946   3.419   3.419
  178    HA   ASP  20           HA       ASP  20   5.836   3.037   3.037
  179   1HB   ASP  20          2HB       ASP  20   4.126   4.358   4.358
  180   2HB   ASP  20          1HB       ASP  20   3.579   2.784   2.784
  181    H    PHE  21           H        PHE  21   3.153   0.958   0.958
  182    HA   PHE  21           HA       PHE  21   4.212  -1.319  -1.319
  183   1HB   PHE  21          2HB       PHE  21   1.822  -1.247  -1.247
  184   2HB   PHE  21          1HB       PHE  21   1.980  -0.910  -0.910
  185    HD1  PHE  21          1HD       PHE  21   4.143  -3.441  -3.441
  186    HD2  PHE  21          2HD       PHE  21   0.514  -2.781  -2.781
  187    HE1  PHE  21          1HE       PHE  21   4.057  -5.836  -5.836
  188    HE2  PHE  21          2HE       PHE  21   0.431  -5.206  -5.206
  189   1HZ   PHE  21           HZ       PHE  21   2.198  -6.735  -6.735
  190    H    ILE  22           H        ILE  22   3.868  -0.473  -0.473
  191    HA   ILE  22           HA       ILE  22   5.378  -2.643  -2.643
  192    HB   ILE  22           HB       ILE  22   4.755   0.117   0.117
  193   1HG1  ILE  22          2HG1      ILE  22   3.577  -1.625  -1.625
  194   2HG1  ILE  22          1HG1      ILE  22   3.665  -2.635  -2.635
  195   1HG2  ILE  22          1HG2      ILE  22   6.592  -1.917  -1.917
  196   2HG2  ILE  22          3HG2      ILE  22   5.453  -1.150  -1.150
  197   3HG2  ILE  22          2HG2      ILE  22   6.595  -0.163  -0.163
  198   1HD1  ILE  22          1HD1      ILE  22   2.678   0.175   0.175
  199   2HD1  ILE  22          3HD1      ILE  22   1.591  -1.037  -1.037
  200   3HD1  ILE  22          2HD1      ILE  22   2.260  -1.256  -1.256
  201    H    GLU  23           H        GLU  23   6.386   0.371   0.371
  202    HA   GLU  23           HA       GLU  23   9.137   0.343   0.343
  203   1HB   GLU  23          2HB       GLU  23   7.845   2.278   2.278
  204   2HB   GLU  23          1HB       GLU  23   7.881   1.448   1.448
  205   1HG   GLU  23          2HG       GLU  23  10.347   1.471   1.471
  206   2HG   GLU  23          1HG       GLU  23  10.318   2.295   2.295
  207    H    LYS  24           H        LYS  24   7.317  -1.038  -1.038
  208    HA   LYS  24           HA       LYS  24   9.745  -2.391  -2.391
  209   1HB   LYS  24          2HB       LYS  24   8.102  -1.001  -1.001
  210   2HB   LYS  24          1HB       LYS  24   6.912  -2.269  -2.269
  211   1HG   LYS  24          2HG       LYS  24   9.010  -3.771  -3.771
  212   2HG   LYS  24          1HG       LYS  24   9.298  -2.286  -2.286
  213   1HD   LYS  24          2HD       LYS  24   7.837  -3.288  -3.288
  214   2HD   LYS  24          1HD       LYS  24   6.654  -2.510  -2.510
  215   1HE   LYS  24          2HE       LYS  24   5.907  -4.504  -4.504
  216   2HE   LYS  24          1HE       LYS  24   7.551  -5.154  -5.154
  217   1HZ   LYS  24          1HZ       LYS  24   7.637  -5.415  -5.415
  218   2HZ   LYS  24          3HZ       LYS  24   6.057  -4.816  -4.816
  219   3HZ   LYS  24          2HZ       LYS  24   6.333  -6.294  -6.294
  220    H    PHE  25           H        PHE  25   7.958  -3.093  -3.093
  221    HA   PHE  25           HA       PHE  25   7.038  -5.827  -5.827
  222   1HB   PHE  25          2HB       PHE  25   5.482  -4.277  -4.277
  223   2HB   PHE  25          1HB       PHE  25   6.636  -3.928  -3.928
  224    HD1  PHE  25          2HD       PHE  25   5.958  -7.350  -7.350
  225    HD2  PHE  25          1HD       PHE  25   5.266  -4.459  -4.459
  226    HE1  PHE  25          2HE       PHE  25   4.964  -9.124  -9.124
  227    HE2  PHE  25          1HE       PHE  25   4.269  -6.237  -6.237
  228   1HZ   PHE  25           HZ       PHE  25   4.118  -8.568  -8.568
  229    H    LYS  26           H        LYS  26   9.843  -4.459  -4.459
  230    HA   LYS  26           HA       LYS  26  11.716  -5.336  -5.336
  231   1HB   LYS  26          2HB       LYS  26  10.425  -7.478  -7.478
  232   2HB   LYS  26          1HB       LYS  26  10.606  -8.025  -8.025
  233   1HG   LYS  26          2HG       LYS  26  12.694  -8.635  -8.635
  234   2HG   LYS  26          1HG       LYS  26  13.066  -6.930  -6.930
  235   1HD   LYS  26          2HD       LYS  26  13.840  -7.370  -7.370
  236   2HD   LYS  26          1HD       LYS  26  12.273  -6.598  -6.598
  237   1HE   LYS  26          2HE       LYS  26  11.892  -8.428  -8.428
  238   2HE   LYS  26          1HE       LYS  26  11.526  -9.227  -9.227
  239   1HZ   LYS  26          2HZ       LYS  26  14.273  -9.010  -9.010
  240   2HZ   LYS  26          1HZ       LYS  26  13.273 -10.352 -10.352
  241   3HZ   LYS  26          3HZ       LYS  26  13.747  -9.972  -9.972
  242    H    GLY  27           H        GLY  27   9.351  -4.215  -4.215
  243   1HA   GLY  27          2HA       GLY  27   9.826  -5.399  -5.399
  244   2HA   GLY  27          1HA       GLY  27   8.183  -5.040  -5.040
  245    H    ARG  28           H        ARG  28   8.536  -2.633  -2.633
  246    HA   ARG  28           HA       ARG  28   8.587  -0.321  -0.321
  247   1HB   ARG  28          2HB       ARG  28  11.028  -1.054  -1.054
  248   2HB   ARG  28          1HB       ARG  28  11.017  -1.063  -1.063
  249   1HG   ARG  28          2HG       ARG  28  10.801   1.240   1.240
  250   2HG   ARG  28          1HG       ARG  28  10.004   1.371   1.371
  251   1HD   ARG  28          2HD       ARG  28  12.091   1.015   1.015
  252   2HD   ARG  28          1HD       ARG  28  12.931   0.628   0.628
  253    HE   ARG  28           HE       ARG  28  11.613   3.221   3.221
  254   1HH1  ARG  28          1HH2      ARG  28  14.497   1.545   1.545
  255   2HH1  ARG  28          2HH2      ARG  28  15.467   2.975   2.975
  256   1HH2  ARG  28          1HH1      ARG  28  12.905   5.039   5.039
  257   2HH2  ARG  28          2HH1      ARG  28  14.579   4.932   4.932

  Start of MODEL   24
    1   1H    GLN   1          2HT       GLN   1 -12.812   3.666   3.666
    2   2H    GLN   1          1HT       GLN   1 -12.487   4.052   4.052
    3   3H    GLN   1          3HT       GLN   1 -14.089   3.845   3.845
    4    HA   GLN   1           HA       GLN   1 -13.959   5.815   5.815
    5   1HB   GLN   1          2HB       GLN   1 -14.323   5.652   5.652
    6   2HB   GLN   1          1HB       GLN   1 -12.811   6.559   6.559
    7   1HG   GLN   1          2HG       GLN   1 -13.752   8.329   8.329
    8   2HG   GLN   1          1HG       GLN   1 -15.219   7.392   7.392
    9   1HE2  GLN   1          2HE2      GLN   1 -14.673   9.135   9.135
   10   2HE2  GLN   1          1HE2      GLN   1 -13.322   8.833   8.833
   11    H    GLN   2           H        GLN   2 -10.987   5.436   5.436
   12    HA   GLN   2           HA       GLN   2  -9.515   7.409   7.409
   13   1HB   GLN   2          2HB       GLN   2  -8.937   5.520   5.520
   14   2HB   GLN   2          1HB       GLN   2  -7.637   6.427   6.427
   15   1HG   GLN   2          2HG       GLN   2 -10.097   7.918   7.918
   16   2HG   GLN   2          1HG       GLN   2  -8.963   7.434   7.434
   17   1HE2  GLN   2          2HE2      GLN   2  -8.002  10.783  10.783
   18   2HE2  GLN   2          1HE2      GLN   2  -9.495  10.204  10.204
   19    H    TYR   3           H        TYR   3  -8.177   4.192   4.192
   20    HA   TYR   3           HA       TYR   3  -7.769   3.786   3.786
   21   1HB   TYR   3          2HB       TYR   3  -5.922   3.840   3.840
   22   2HB   TYR   3          1HB       TYR   3  -5.613   2.622   2.622
   23    HD1  TYR   3          1HD       TYR   3  -6.544   6.241   6.241
   24    HD2  TYR   3          2HD       TYR   3  -4.272   3.209   3.209
   25    HE1  TYR   3          1HE       TYR   3  -5.616   7.963   7.963
   26    HE2  TYR   3          2HE       TYR   3  -3.313   4.939   4.939
   27    HH   TYR   3           HH       TYR   3  -4.590   7.863   7.863
   28    H    THR   4           H        THR   4  -9.024   2.074   2.074
   29    HA   THR   4           HA       THR   4  -9.359  -0.195  -0.195
   30    HB   THR   4           HB       THR   4 -10.593   0.421   0.421
   31    HG1  THR   4          1HG       THR   4 -12.161   1.418   1.418
   32   1HG2  THR   4          2HG2      THR   4 -10.978  -1.716  -1.716
   33   2HG2  THR   4          1HG2      THR   4 -12.406  -1.109  -1.109
   34   3HG2  THR   4          3HG2      THR   4 -11.078  -1.816  -1.816
   35    H    ALA   5           H        ALA   5  -7.255   0.684   0.684
   36    HA   ALA   5           HA       ALA   5  -6.929  -1.467  -1.467
   37   1HB   ALA   5          3HB       ALA   5  -5.613   0.832   0.832
   38   2HB   ALA   5          2HB       ALA   5  -4.465  -0.346  -0.346
   39   3HB   ALA   5          1HB       ALA   5  -4.948  -0.417  -0.417
   40    H    LYS   6           H        LYS   6  -7.057  -3.588  -3.588
   41    HA   LYS   6           HA       LYS   6  -5.703  -4.452  -4.452
   42   1HB   LYS   6          2HB       LYS   6  -7.990  -5.171  -5.171
   43   2HB   LYS   6          1HB       LYS   6  -6.883  -6.393  -6.393
   44   1HG   LYS   6          2HG       LYS   6  -6.189  -6.855  -6.855
   45   2HG   LYS   6          1HG       LYS   6  -7.513  -5.810  -5.810
   46   1HD   LYS   6          2HD       LYS   6  -9.130  -7.317  -7.317
   47   2HD   LYS   6          1HD       LYS   6  -8.181  -7.935  -7.935
   48   1HE   LYS   6          2HE       LYS   6  -7.016  -8.475  -8.475
   49   2HE   LYS   6          1HE       LYS   6  -8.536  -9.321  -9.321
   50   1HZ   LYS   6          2HZ       LYS   6  -6.243  -9.182  -9.182
   51   2HZ   LYS   6          1HZ       LYS   6  -6.527 -10.493 -10.493
   52   3HZ   LYS   6          3HZ       LYS   6  -7.652 -10.115 -10.115
   53    H    ILE   7           H        ILE   7  -3.693  -3.535  -3.535
   54    HA   ILE   7           HA       ILE   7  -2.544  -5.014  -5.014
   55    HB   ILE   7           HB       ILE   7  -1.692  -2.895  -2.895
   56   1HG1  ILE   7          2HG1      ILE   7   0.452  -4.885  -4.885
   57   2HG1  ILE   7          1HG1      ILE   7  -0.005  -4.485  -4.485
   58   1HG2  ILE   7          1HG2      ILE   7  -1.886  -3.910  -3.910
   59   2HG2  ILE   7          3HG2      ILE   7  -0.295  -3.201  -3.201
   60   3HG2  ILE   7          2HG2      ILE   7  -1.749  -2.242  -2.242
   61   1HD1  ILE   7          2HD1      ILE   7   1.007  -2.512  -2.512
   62   2HD1  ILE   7          1HD1      ILE   7   1.956  -3.175  -3.175
   63   3HD1  ILE   7          3HD1      ILE   7   0.574  -2.130  -2.130
   64    H    LYS   8           H        LYS   8  -0.618  -5.388  -5.388
   65    HA   LYS   8           HA       LYS   8  -0.056  -8.115  -8.115
   66   1HB   LYS   8          2HB       LYS   8   1.328  -6.571  -6.571
   67   2HB   LYS   8          1HB       LYS   8   0.060  -6.502  -6.502
   68   1HG   LYS   8          2HG       LYS   8   1.803  -8.098  -8.098
   69   2HG   LYS   8          1HG       LYS   8   0.287  -8.943  -8.943
   70   1HD   LYS   8          2HD       LYS   8   1.060  -9.887  -9.887
   71   2HD   LYS   8          1HD       LYS   8   2.262  -8.622  -8.622
   72   1HE   LYS   8          2HE       LYS   8   3.517  -9.511  -9.511
   73   2HE   LYS   8          1HE       LYS   8   2.382 -10.876 -10.876
   74   1HZ   LYS   8          1HZ       LYS   8   3.964 -10.038 -10.038
   75   2HZ   LYS   8          3HZ       LYS   8   4.372 -11.334 -11.334
   76   3HZ   LYS   8          2HZ       LYS   8   2.938 -11.388 -11.388
   77    H    GLY   9           H        GLY   9  -2.775  -6.570  -6.570
   78   1HA   GLY   9          2HA       GLY   9  -4.750  -8.241  -8.241
   79   2HA   GLY   9          1HA       GLY   9  -3.696  -9.152  -9.152
   80    H    ARG  10           H        ARG  10  -4.697  -5.710  -5.710
   81    HA   ARG  10           HA       ARG  10  -5.964  -5.655  -5.655
   82   1HB   ARG  10          2HB       ARG  10  -4.150  -4.057  -4.057
   83   2HB   ARG  10          1HB       ARG  10  -3.801  -5.786  -5.786
   84   1HG   ARG  10          2HG       ARG  10  -2.958  -4.601  -4.601
   85   2HG   ARG  10          1HG       ARG  10  -2.250  -3.721  -3.721
   86   1HD   ARG  10          2HD       ARG  10  -2.106  -6.733  -6.733
   87   2HD   ARG  10          1HD       ARG  10  -0.778  -5.585  -5.585
   88    HE   ARG  10           HE       ARG  10  -1.607  -4.998  -4.998
   89   1HH1  ARG  10          1HH2      ARG  10  -0.701  -7.973  -7.973
   90   2HH1  ARG  10          2HH2      ARG  10  -0.094  -8.688  -8.688
   91   1HH2  ARG  10          1HH1      ARG  10  -0.808  -5.963  -5.963
   92   2HH2  ARG  10          2HH1      ARG  10  -0.153  -7.565  -7.565
   93    H    THR  11           H        THR  11  -7.178  -3.816  -3.816
   94    HA   THR  11           HA       THR  11  -7.180  -1.802  -1.802
   95    HB   THR  11           HB       THR  11  -9.288  -2.639  -2.639
   96    HG1  THR  11          1HG       THR  11 -10.164  -0.707  -0.707
   97   1HG2  THR  11          2HG2      THR  11  -7.854  -2.481  -2.481
   98   2HG2  THR  11          1HG2      THR  11  -9.122  -1.264  -1.264
   99   3HG2  THR  11          3HG2      THR  11  -9.542  -2.944  -2.944
  100    H    PHE  12           H        PHE  12  -5.946   0.097   0.097
  101    HA   PHE  12           HA       PHE  12  -4.411   0.459   0.459
  102   1HB   PHE  12          2HB       PHE  12  -4.371   1.632   1.632
  103   2HB   PHE  12          1HB       PHE  12  -3.307   2.214   2.214
  104    HD1  PHE  12          2HD       PHE  12  -4.448  -1.075  -1.075
  105    HD2  PHE  12          1HD       PHE  12  -1.223   1.213   1.213
  106    HE1  PHE  12          2HE       PHE  12  -2.912  -2.938  -2.938
  107    HE2  PHE  12          1HE       PHE  12   0.320  -0.681  -0.681
  108   1HZ   PHE  12           HZ       PHE  12  -0.523  -2.755  -2.755
  109    H    ARG  13           H        ARG  13  -4.553   2.262   2.262
  110    HA   ARG  13           HA       ARG  13  -7.077   3.659   3.659
  111   1HB   ARG  13          2HB       ARG  13  -5.550   3.038   3.038
  112   2HB   ARG  13          1HB       ARG  13  -4.396   4.238   4.238
  113   1HG   ARG  13          2HG       ARG  13  -6.261   5.958   5.958
  114   2HG   ARG  13          1HG       ARG  13  -7.185   4.726   4.726
  115   1HD   ARG  13          2HD       ARG  13  -5.596   4.624   4.624
  116   2HD   ARG  13          1HD       ARG  13  -4.382   5.516   5.516
  117    HE   ARG  13           HE       ARG  13  -6.509   7.262   7.262
  118   1HH1  ARG  13          1HH2      ARG  13  -4.798   5.502   5.502
  119   2HH1  ARG  13          2HH2      ARG  13  -5.104   6.707   6.707
  120   1HH2  ARG  13          1HH1      ARG  13  -6.876   8.799   8.799
  121   2HH2  ARG  13          2HH1      ARG  13  -6.267   8.555   8.555
  122    H    ASN  14           H        ASN  14  -3.991   4.398   4.398
  123    HA   ASN  14           HA       ASN  14  -5.155   6.723   6.723
  124   1HB   ASN  14          2HB       ASN  14  -3.506   8.307   8.307
  125   2HB   ASN  14          1HB       ASN  14  -4.560   7.625   7.625
  126   1HD2  ASN  14          2HD2      ASN  14  -1.840   6.347   6.347
  127   2HD2  ASN  14          1HD2      ASN  14  -3.447   6.892   6.892
  128    H    GLU  15           H        GLU  15  -3.447   7.727   7.727
  129    HA   GLU  15           HA       GLU  15  -2.147   5.736   5.736
  130   1HB   GLU  15          2HB       GLU  15  -2.914   8.185   8.185
  131   2HB   GLU  15          1HB       GLU  15  -1.300   8.618   8.618
  132   1HG   GLU  15          2HG       GLU  15  -0.291   7.141   7.141
  133   2HG   GLU  15          1HG       GLU  15  -1.894   6.651   6.651
  134    H    LYS  16           H        LYS  16  -0.842   7.975   7.975
  135    HA   LYS  16           HA       LYS  16   1.901   7.525   7.525
  136   1HB   LYS  16          2HB       LYS  16   0.512   9.031   9.031
  137   2HB   LYS  16          1HB       LYS  16   0.465   7.638   7.638
  138   1HG   LYS  16          2HG       LYS  16   2.760   7.692   7.692
  139   2HG   LYS  16          1HG       LYS  16   3.100   8.530   8.530
  140   1HD   LYS  16          2HD       LYS  16   2.424  10.612  10.612
  141   2HD   LYS  16          1HD       LYS  16   1.485   9.880   9.880
  142   1HE   LYS  16          2HE       LYS  16   3.943   8.921   8.921
  143   2HE   LYS  16          1HE       LYS  16   4.396  10.465  10.465
  144   1HZ   LYS  16          2HZ       LYS  16   2.758  11.583  11.583
  145   2HZ   LYS  16          1HZ       LYS  16   2.329  10.111  10.111
  146   3HZ   LYS  16          3HZ       LYS  16   3.877  10.758  10.758
  147    H    GLU  17           H        GLU  17  -0.412   5.566   5.566
  148    HA   GLU  17           HA       GLU  17   1.507   3.650   3.650
  149   1HB   GLU  17          2HB       GLU  17  -1.338   4.114   4.114
  150   2HB   GLU  17          1HB       GLU  17  -1.059   2.431   2.431
  151   1HG   GLU  17          2HG       GLU  17  -0.112   1.907   1.907
  152   2HG   GLU  17          1HG       GLU  17   0.560   3.522   3.522
  153    H    LEU  18           H        LEU  18  -0.512   3.794   3.794
  154    HA   LEU  18           HA       LEU  18   0.158   1.252   1.252
  155   1HB   LEU  18          2HB       LEU  18  -1.484   3.276   3.276
  156   2HB   LEU  18          1HB       LEU  18  -0.138   3.706   3.706
  157    HG   LEU  18           HG       LEU  18  -0.196   1.244   1.244
  158   1HD1  LEU  18          3HD1      LEU  18  -2.741   1.476   1.476
  159   2HD1  LEU  18          2HD1      LEU  18  -2.656   0.396   0.396
  160   3HD1  LEU  18          1HD1      LEU  18  -1.567   0.160   0.160
  161   1HD2  LEU  18          2HD2      LEU  18  -1.323   3.504   3.504
  162   2HD2  LEU  18          1HD2      LEU  18  -1.402   1.936   1.936
  163   3HD2  LEU  18          3HD2      LEU  18  -2.754   2.490   2.490
  164    H    ARG  19           H        ARG  19   1.970   4.213   4.213
  165    HA   ARG  19           HA       ARG  19   4.108   3.333   3.333
  166   1HB   ARG  19          2HB       ARG  19   3.230   5.872   5.872
  167   2HB   ARG  19          1HB       ARG  19   4.892   5.728   5.728
  168   1HG   ARG  19          2HG       ARG  19   2.843   4.827   4.827
  169   2HG   ARG  19          1HG       ARG  19   2.800   6.550   6.550
  170   1HD   ARG  19          2HD       ARG  19   5.178   6.769   6.769
  171   2HD   ARG  19          1HD       ARG  19   5.274   5.026   5.026
  172    HE   ARG  19           HE       ARG  19   3.120   5.906   5.906
  173   1HH1  ARG  19          1HH2      ARG  19   6.518   6.703   6.703
  174   2HH1  ARG  19          2HH2      ARG  19   6.629   7.158   7.158
  175   1HH2  ARG  19          1HH1      ARG  19   3.308   6.506   6.506
  176   2HH2  ARG  19          2HH1      ARG  19   4.832   7.049   7.049
  177    H    ASP  20           H        ASP  20   3.355   3.620   3.620
  178    HA   ASP  20           HA       ASP  20   6.215   3.350   3.350
  179   1HB   ASP  20          2HB       ASP  20   4.316   4.856   4.856
  180   2HB   ASP  20          1HB       ASP  20   3.866   3.372   3.372
  181    H    PHE  21           H        PHE  21   3.372   1.379   1.379
  182    HA   PHE  21           HA       PHE  21   4.176  -0.781  -0.781
  183   1HB   PHE  21          2HB       PHE  21   1.852  -0.552  -0.552
  184   2HB   PHE  21          1HB       PHE  21   2.209  -0.411  -0.411
  185    HD1  PHE  21          1HD       PHE  21   3.183  -2.835  -2.835
  186    HD2  PHE  21          2HD       PHE  21   1.473  -2.253  -2.253
  187    HE1  PHE  21          1HE       PHE  21   3.017  -5.284  -5.284
  188    HE2  PHE  21          2HE       PHE  21   1.313  -4.711  -4.711
  189   1HZ   PHE  21           HZ       PHE  21   2.076  -6.231  -6.231
  190    H    ILE  22           H        ILE  22   4.290  -0.155  -0.155
  191    HA   ILE  22           HA       ILE  22   5.553  -2.536  -2.536
  192    HB   ILE  22           HB       ILE  22   5.803   0.307   0.307
  193   1HG1  ILE  22          2HG1      ILE  22   3.478  -0.601  -0.601
  194   2HG1  ILE  22          1HG1      ILE  22   4.000  -0.239  -0.239
  195   1HG2  ILE  22          2HG2      ILE  22   6.506  -2.303  -2.303
  196   2HG2  ILE  22          1HG2      ILE  22   6.345  -0.772  -0.772
  197   3HG2  ILE  22          3HG2      ILE  22   7.595  -0.966  -0.966
  198   1HD1  ILE  22          2HD1      ILE  22   4.775  -2.918  -2.918
  199   2HD1  ILE  22          1HD1      ILE  22   3.123  -2.754  -2.754
  200   3HD1  ILE  22          3HD1      ILE  22   3.503  -2.354  -2.354
  201    H    GLU  23           H        GLU  23   6.850   0.340   0.340
  202    HA   GLU  23           HA       GLU  23   9.639  -0.082  -0.082
  203   1HB   GLU  23          2HB       GLU  23   8.512   1.979   1.979
  204   2HB   GLU  23          1HB       GLU  23   8.226   1.109   1.109
  205   1HG   GLU  23          2HG       GLU  23  10.736   0.700   0.700
  206   2HG   GLU  23          1HG       GLU  23  10.891   1.853   1.853
  207    H    LYS  24           H        LYS  24   7.461  -1.078  -1.078
  208    HA   LYS  24           HA       LYS  24   9.506  -2.805  -2.805
  209   1HB   LYS  24          2HB       LYS  24   7.883  -1.491  -1.491
  210   2HB   LYS  24          1HB       LYS  24   6.544  -2.319  -2.319
  211   1HG   LYS  24          2HG       LYS  24   7.108  -4.409  -4.409
  212   2HG   LYS  24          1HG       LYS  24   8.680  -3.812  -3.812
  213   1HD   LYS  24          2HD       LYS  24   7.309  -3.765  -3.765
  214   2HD   LYS  24          1HD       LYS  24   7.385  -2.091  -2.091
  215   1HE   LYS  24          2HE       LYS  24   5.089  -2.261  -2.261
  216   2HE   LYS  24          1HE       LYS  24   5.216  -2.926  -2.926
  217   1HZ   LYS  24          1HZ       LYS  24   5.366  -4.515  -4.515
  218   2HZ   LYS  24          3HZ       LYS  24   4.010  -4.431  -4.431
  219   3HZ   LYS  24          2HZ       LYS  24   5.452  -5.133  -5.133
  220    H    PHE  25           H        PHE  25   7.752  -3.142  -3.142
  221    HA   PHE  25           HA       PHE  25   7.361  -6.070  -6.070
  222   1HB   PHE  25          2HB       PHE  25   5.197  -5.095  -5.095
  223   2HB   PHE  25          1HB       PHE  25   5.663  -3.863  -3.863
  224    HD1  PHE  25          2HD       PHE  25   6.094  -7.573  -7.573
  225    HD2  PHE  25          1HD       PHE  25   4.368  -4.117  -4.117
  226    HE1  PHE  25          2HE       PHE  25   5.339  -8.988  -8.988
  227    HE2  PHE  25          1HE       PHE  25   3.585  -5.540  -5.540
  228   1HZ   PHE  25           HZ       PHE  25   4.068  -7.978  -7.978
  229    H    LYS  26           H        LYS  26   9.768  -4.788  -4.788
  230    HA   LYS  26           HA       LYS  26   9.828  -5.017  -5.017
  231   1HB   LYS  26          2HB       LYS  26  11.186  -3.509  -3.509
  232   2HB   LYS  26          1HB       LYS  26  12.360  -4.746  -4.746
  233   1HG   LYS  26          2HG       LYS  26  12.711  -2.932  -2.932
  234   2HG   LYS  26          1HG       LYS  26  11.854  -4.172  -4.172
  235   1HD   LYS  26          2HD       LYS  26   9.996  -2.887  -2.887
  236   2HD   LYS  26          1HD       LYS  26  10.077  -2.289  -2.289
  237   1HE   LYS  26          2HE       LYS  26  10.573  -0.331  -0.331
  238   2HE   LYS  26          1HE       LYS  26  12.211  -0.988  -0.988
  239   1HZ   LYS  26          3HZ       LYS  26  10.414  -1.536  -1.536
  240   2HZ   LYS  26          2HZ       LYS  26  11.708  -0.437  -0.437
  241   3HZ   LYS  26          1HZ       LYS  26  12.003  -2.097  -2.097
  242    H    GLY  27           H        GLY  27   8.947  -7.283  -7.283
  243   1HA   GLY  27          2HA       GLY  27   9.458  -9.578  -9.578
  244   2HA   GLY  27          1HA       GLY  27  11.181  -9.185  -9.185
  245    H    ARG  28           H        ARG  28   8.900  -7.788  -7.788
  246    HA   ARG  28           HA       ARG  28   8.730  -7.910  -7.910
  247   1HB   ARG  28          2HB       ARG  28   8.297 -10.451 -10.451
  248   2HB   ARG  28          1HB       ARG  28   9.201 -10.756 -10.756
  249   1HG   ARG  28          2HG       ARG  28   7.547  -9.775  -9.775
  250   2HG   ARG  28          1HG       ARG  28   6.817  -8.913  -8.913
  251   1HD   ARG  28          2HD       ARG  28   5.304 -10.678 -10.678
  252   2HD   ARG  28          1HD       ARG  28   6.451 -11.404 -11.404
  253    HE   ARG  28           HE       ARG  28   7.145 -12.851 -12.851
  254   1HH1  ARG  28          1HH2      ARG  28   5.611 -10.026 -10.026
  255   2HH1  ARG  28          2HH2      ARG  28   5.731 -10.628 -10.628
  256   1HH2  ARG  28          1HH1      ARG  28   7.276 -13.592 -13.592
  257   2HH2  ARG  28          2HH1      ARG  28   6.661 -12.625 -12.625

  Start of MODEL   25
    1   1H    GLN   1          1HT       GLN   1 -13.491   8.287   8.287
    2   2H    GLN   1          3HT       GLN   1 -13.863   8.263   8.263
    3   3H    GLN   1          2HT       GLN   1 -14.765   7.317   7.317
    4    HA   GLN   1           HA       GLN   1 -12.888   5.899   5.899
    5   1HB   GLN   1          2HB       GLN   1 -13.933   6.516   6.516
    6   2HB   GLN   1          1HB       GLN   1 -12.539   5.437   5.437
    7   1HG   GLN   1          2HG       GLN   1 -13.770   4.054   4.054
    8   2HG   GLN   1          1HG       GLN   1 -15.188   5.068   5.068
    9   1HE2  GLN   1          2HE2      GLN   1 -15.112   2.011   2.011
   10   2HE2  GLN   1          1HE2      GLN   1 -14.811   2.142   2.142
   11    H    GLN   2           H        GLN   2 -10.637   5.416   5.416
   12    HA   GLN   2           HA       GLN   2  -9.020   7.722   7.722
   13   1HB   GLN   2          2HB       GLN   2  -9.045   6.258   6.258
   14   2HB   GLN   2          1HB       GLN   2  -7.439   6.500   6.500
   15   1HG   GLN   2          2HG       GLN   2  -7.611   8.513   8.513
   16   2HG   GLN   2          1HG       GLN   2  -8.459   8.968   8.968
   17   1HE2  GLN   2          2HE2      GLN   2 -10.572   9.733   9.733
   18   2HE2  GLN   2          1HE2      GLN   2  -8.963  10.106  10.106
   19    H    TYR   3           H        TYR   3  -7.943   4.531   4.531
   20    HA   TYR   3           HA       TYR   3  -7.040   3.925   3.925
   21   1HB   TYR   3          2HB       TYR   3  -5.663   4.007   4.007
   22   2HB   TYR   3          1HB       TYR   3  -5.184   2.721   2.721
   23    HD1  TYR   3          1HD       TYR   3  -5.939   6.383   6.383
   24    HD2  TYR   3          2HD       TYR   3  -3.582   3.186   3.186
   25    HE1  TYR   3          1HE       TYR   3  -4.700   8.019   8.019
   26    HE2  TYR   3          2HE       TYR   3  -2.311   4.826   4.826
   27    HH   TYR   3           HH       TYR   3  -2.851   7.202   7.202
   28    H    THR   4           H        THR   4  -8.384   2.335   2.335
   29    HA   THR   4           HA       THR   4  -9.125   0.149   0.149
   30    HB   THR   4           HB       THR   4 -10.159   0.901   0.901
   31    HG1  THR   4          1HG       THR   4 -11.218   1.400   1.400
   32   1HG2  THR   4          2HG2      THR   4 -10.787  -1.247  -1.247
   33   2HG2  THR   4          1HG2      THR   4 -12.170  -0.437  -0.437
   34   3HG2  THR   4          3HG2      THR   4 -10.969  -1.229  -1.229
   35    H    ALA   5           H        ALA   5  -7.059   0.808   0.808
   36    HA   ALA   5           HA       ALA   5  -6.934  -1.645  -1.645
   37   1HB   ALA   5          2HB       ALA   5  -5.746   0.753   0.753
   38   2HB   ALA   5          1HB       ALA   5  -4.422  -0.137  -0.137
   39   3HB   ALA   5          3HB       ALA   5  -5.084  -0.680  -0.680
   40    H    LYS   6           H        LYS   6  -7.003  -3.468  -3.468
   41    HA   LYS   6           HA       LYS   6  -5.180  -3.770  -3.770
   42   1HB   LYS   6          2HB       LYS   6  -7.487  -4.782  -4.782
   43   2HB   LYS   6          1HB       LYS   6  -6.793  -5.854  -5.854
   44   1HG   LYS   6          2HG       LYS   6  -5.331  -6.874  -6.874
   45   2HG   LYS   6          1HG       LYS   6  -5.693  -5.643  -5.643
   46   1HD   LYS   6          2HD       LYS   6  -7.994  -7.190  -7.190
   47   2HD   LYS   6          1HD       LYS   6  -6.908  -8.033  -8.033
   48   1HE   LYS   6          2HE       LYS   6  -7.178  -5.880  -5.880
   49   2HE   LYS   6          1HE       LYS   6  -8.652  -5.638  -5.638
   50   1HZ   LYS   6          1HZ       LYS   6  -7.949  -8.230  -8.230
   51   2HZ   LYS   6          3HZ       LYS   6  -8.928  -7.075  -7.075
   52   3HZ   LYS   6          2HZ       LYS   6  -9.433  -7.782  -7.782
   53    H    ILE   7           H        ILE   7  -3.217  -4.908  -4.908
   54    HA   ILE   7           HA       ILE   7  -2.248  -5.903  -5.903
   55    HB   ILE   7           HB       ILE   7  -0.061  -5.322  -5.322
   56   1HG1  ILE   7          2HG1      ILE   7  -2.014  -3.021  -3.021
   57   2HG1  ILE   7          1HG1      ILE   7  -1.566  -3.761  -3.761
   58   1HG2  ILE   7          3HG2      ILE   7  -0.522  -5.236  -5.236
   59   2HG2  ILE   7          2HG2      ILE   7  -0.766  -3.527  -3.527
   60   3HG2  ILE   7          1HG2      ILE   7   0.772  -4.299  -4.299
   61   1HD1  ILE   7          3HD1      ILE   7   0.866  -3.058  -3.058
   62   2HD1  ILE   7          2HD1      ILE   7  -0.207  -1.674  -1.674
   63   3HD1  ILE   7          1HD1      ILE   7   0.148  -2.299  -2.299
   64    H    LYS   8           H        LYS   8  -0.823  -6.334  -6.334
   65    HA   LYS   8           HA       LYS   8  -0.615  -9.200  -9.200
   66   1HB   LYS   8          2HB       LYS   8   0.463  -7.182  -7.182
   67   2HB   LYS   8          1HB       LYS   8   0.304  -8.805  -8.805
   68   1HG   LYS   8          2HG       LYS   8   1.496  -8.551  -8.551
   69   2HG   LYS   8          1HG       LYS   8   2.487  -8.034  -8.034
   70   1HD   LYS   8          2HD       LYS   8   2.318 -10.188 -10.188
   71   2HD   LYS   8          1HD       LYS   8   1.083 -10.714 -10.714
   72   1HE   LYS   8          2HE       LYS   8   2.916 -11.678 -11.678
   73   2HE   LYS   8          1HE       LYS   8   3.063 -10.057 -10.057
   74   1HZ   LYS   8          3HZ       LYS   8   4.403  -9.421  -9.421
   75   2HZ   LYS   8          2HZ       LYS   8   4.369 -11.036 -11.036
   76   3HZ   LYS   8          1HZ       LYS   8   5.141 -10.632 -10.632
   77    H    GLY   9           H        GLY   9  -2.403  -6.989  -6.989
   78   1HA   GLY   9          2HA       GLY   9  -4.748  -8.322  -8.322
   79   2HA   GLY   9          1HA       GLY   9  -3.701  -9.162  -9.162
   80    H    ARG  10           H        ARG  10  -3.764  -5.699  -5.699
   81    HA   ARG  10           HA       ARG  10  -4.910  -4.996  -4.996
   82   1HB   ARG  10          2HB       ARG  10  -2.840  -3.483  -3.483
   83   2HB   ARG  10          1HB       ARG  10  -2.675  -5.209  -5.209
   84   1HG   ARG  10          2HG       ARG  10  -1.722  -5.407  -5.407
   85   2HG   ARG  10          1HG       ARG  10  -1.631  -3.648  -3.648
   86   1HD   ARG  10          2HD       ARG  10  -0.418  -5.330  -5.330
   87   2HD   ARG  10          1HD       ARG  10   0.493  -4.868  -4.868
   88    HE   ARG  10           HE       ARG  10  -0.870  -2.593  -2.593
   89   1HH1  ARG  10          1HH2      ARG  10   1.976  -4.615  -4.615
   90   2HH1  ARG  10          2HH2      ARG  10   2.918  -3.374  -3.374
   91   1HH2  ARG  10          1HH1      ARG  10   0.388  -1.017  -1.017
   92   2HH2  ARG  10          2HH1      ARG  10   2.032  -1.358  -1.358
   93    H    THR  11           H        THR  11  -6.531  -3.902  -3.902
   94    HA   THR  11           HA       THR  11  -6.008  -1.941  -1.941
   95    HB   THR  11           HB       THR  11  -8.206  -2.104  -2.104
   96    HG1  THR  11          1HG       THR  11  -7.991  -3.188  -3.188
   97   1HG2  THR  11          3HG2      THR  11  -7.866  -0.551  -0.551
   98   2HG2  THR  11          2HG2      THR  11  -9.481  -1.014  -1.014
   99   3HG2  THR  11          1HG2      THR  11  -8.466   0.000   0.000
  100    H    PHE  12           H        PHE  12  -5.735   0.393   0.393
  101    HA   PHE  12           HA       PHE  12  -4.664   1.070   1.070
  102   1HB   PHE  12          2HB       PHE  12  -4.041   2.314   2.314
  103   2HB   PHE  12          1HB       PHE  12  -3.110   2.458   2.458
  104    HD1  PHE  12          2HD       PHE  12  -1.782   0.538   0.538
  105    HD2  PHE  12          1HD       PHE  12  -4.012   0.252   0.252
  106    HE1  PHE  12          2HE       PHE  12  -0.530  -1.482  -1.482
  107    HE2  PHE  12          1HE       PHE  12  -2.747  -1.787  -1.787
  108   1HZ   PHE  12           HZ       PHE  12  -1.007  -2.662  -2.662
  109    H    ARG  13           H        ARG  13  -5.324   2.982   2.982
  110    HA   ARG  13           HA       ARG  13  -7.845   4.188   4.188
  111   1HB   ARG  13          2HB       ARG  13  -6.860   3.660   3.660
  112   2HB   ARG  13          1HB       ARG  13  -6.062   5.221   5.221
  113   1HG   ARG  13          2HG       ARG  13  -8.957   5.133   5.133
  114   2HG   ARG  13          1HG       ARG  13  -8.543   4.972   4.972
  115   1HD   ARG  13          2HD       ARG  13  -6.930   7.037   7.037
  116   2HD   ARG  13          1HD       ARG  13  -8.184   7.314   7.314
  117    HE   ARG  13           HE       ARG  13  -8.544   7.554   7.554
  118   1HH1  ARG  13          1HH2      ARG  13 -10.127   6.828   6.828
  119   2HH1  ARG  13          2HH2      ARG  13 -11.689   7.268   7.268
  120   1HH2  ARG  13          1HH1      ARG  13 -10.587   8.114   8.114
  121   2HH2  ARG  13          2HH1      ARG  13 -11.950   7.988   7.988
  122    H    ASN  14           H        ASN  14  -4.634   4.719   4.719
  123    HA   ASN  14           HA       ASN  14  -5.221   7.182   7.182
  124   1HB   ASN  14          2HB       ASN  14  -3.669   8.596   8.596
  125   2HB   ASN  14          1HB       ASN  14  -5.053   8.046   8.046
  126   1HD2  ASN  14          2HD2      ASN  14  -2.978   6.526   6.526
  127   2HD2  ASN  14          1HD2      ASN  14  -4.459   7.271   7.271
  128    H    GLU  15           H        GLU  15  -3.193   7.965   7.965
  129    HA   GLU  15           HA       GLU  15  -1.721   5.830   5.830
  130   1HB   GLU  15          2HB       GLU  15  -2.188   8.301   8.301
  131   2HB   GLU  15          1HB       GLU  15  -0.706   8.646   8.646
  132   1HG   GLU  15          2HG       GLU  15   0.549   7.080   7.080
  133   2HG   GLU  15          1HG       GLU  15  -0.925   6.582   6.582
  134    H    LYS  16           H        LYS  16  -0.903   8.033   8.033
  135    HA   LYS  16           HA       LYS  16   1.798   7.525   7.525
  136   1HB   LYS  16          2HB       LYS  16   0.021   8.969   8.969
  137   2HB   LYS  16          1HB       LYS  16  -0.174   7.548   7.548
  138   1HG   LYS  16          2HG       LYS  16   1.892   7.783   7.783
  139   2HG   LYS  16          1HG       LYS  16   2.621   8.401   8.401
  140   1HD   LYS  16          2HD       LYS  16   0.930  10.439  10.439
  141   2HD   LYS  16          1HD       LYS  16   1.256   9.870   9.870
  142   1HE   LYS  16          2HE       LYS  16   3.443  10.475  10.475
  143   2HE   LYS  16          1HE       LYS  16   2.891  11.625  11.625
  144   1HZ   LYS  16          1HZ       LYS  16   3.305   9.915   9.915
  145   2HZ   LYS  16          3HZ       LYS  16   3.922   8.880   8.880
  146   3HZ   LYS  16          2HZ       LYS  16   4.728  10.331  10.331
  147    H    GLU  17           H        GLU  17  -0.940   5.511   5.511
  148    HA   GLU  17           HA       GLU  17   0.736   3.530   3.530
  149   1HB   GLU  17          2HB       GLU  17  -2.123   3.742   3.742
  150   2HB   GLU  17          1HB       GLU  17  -1.508   2.195   2.195
  151   1HG   GLU  17          2HG       GLU  17  -1.317   4.770   4.770
  152   2HG   GLU  17          1HG       GLU  17  -2.616   3.594   3.594
  153    H    LEU  18           H        LEU  18  -0.726   3.871   3.871
  154    HA   LEU  18           HA       LEU  18   0.054   1.334   1.334
  155   1HB   LEU  18          2HB       LEU  18  -1.468   3.157   3.157
  156   2HB   LEU  18          1HB       LEU  18   0.009   3.994   3.994
  157    HG   LEU  18           HG       LEU  18   0.707   1.837   1.837
  158   1HD1  LEU  18          2HD1      LEU  18  -2.167   1.187   1.187
  159   2HD1  LEU  18          1HD1      LEU  18  -1.285   0.372   0.372
  160   3HD1  LEU  18          3HD1      LEU  18  -0.728   0.239   0.239
  161   1HD2  LEU  18          2HD2      LEU  18  -0.457   3.928   3.928
  162   2HD2  LEU  18          1HD2      LEU  18  -0.394   2.443   2.443
  163   3HD2  LEU  18          3HD2      LEU  18  -1.875   2.886   2.886
  164    H    ARG  19           H        ARG  19   1.788   4.336   4.336
  165    HA   ARG  19           HA       ARG  19   4.204   3.610   3.610
  166   1HB   ARG  19          2HB       ARG  19   3.278   5.739   5.739
  167   2HB   ARG  19          1HB       ARG  19   5.009   5.545   5.545
  168   1HG   ARG  19          2HG       ARG  19   4.328   5.533   5.533
  169   2HG   ARG  19          1HG       ARG  19   2.860   6.318   6.318
  170   1HD   ARG  19          2HD       ARG  19   3.978   8.246   8.246
  171   2HD   ARG  19          1HD       ARG  19   5.490   7.379   7.379
  172    HE   ARG  19           HE       ARG  19   4.731   7.255   7.255
  173   1HH1  ARG  19          1HH2      ARG  19   6.354   9.172   9.172
  174   2HH1  ARG  19          2HH2      ARG  19   7.346   9.983   9.983
  175   1HH2  ARG  19          1HH1      ARG  19   6.036   8.330   8.330
  176   2HH2  ARG  19          2HH1      ARG  19   7.172   9.513   9.513
  177    H    ASP  20           H        ASP  20   2.945   3.283   3.283
  178    HA   ASP  20           HA       ASP  20   5.455   2.334   2.334
  179   1HB   ASP  20          2HB       ASP  20   3.311   3.384   3.384
  180   2HB   ASP  20          1HB       ASP  20   2.680   1.738   1.738
  181    H    PHE  21           H        PHE  21   3.218   0.925   0.925
  182    HA   PHE  21           HA       PHE  21   3.357  -1.849  -1.849
  183   1HB   PHE  21          2HB       PHE  21   1.494  -0.835  -0.835
  184   2HB   PHE  21          1HB       PHE  21   2.611  -0.548  -0.548
  185    HD1  PHE  21          1HD       PHE  21   0.783  -3.080  -3.080
  186    HD2  PHE  21          2HD       PHE  21   3.473  -2.381  -2.381
  187    HE1  PHE  21          1HE       PHE  21   0.399  -5.383  -5.383
  188    HE2  PHE  21          2HE       PHE  21   3.087  -4.697  -4.697
  189   1HZ   PHE  21           HZ       PHE  21   1.547  -6.197  -6.197
  190    H    ILE  22           H        ILE  22   4.723   0.042   0.042
  191    HA   ILE  22           HA       ILE  22   6.434  -1.972  -1.972
  192    HB   ILE  22           HB       ILE  22   6.613   1.041   1.041
  193   1HG1  ILE  22          2HG1      ILE  22   5.571  -0.934  -0.934
  194   2HG1  ILE  22          1HG1      ILE  22   4.549  -0.022  -0.022
  195   1HG2  ILE  22          3HG2      ILE  22   8.785  -0.127  -0.127
  196   2HG2  ILE  22          2HG2      ILE  22   7.942  -0.925  -0.925
  197   3HG2  ILE  22          1HG2      ILE  22   8.120   0.829   0.829
  198   1HD1  ILE  22          3HD1      ILE  22   5.778   2.064   2.064
  199   2HD1  ILE  22          2HD1      ILE  22   6.209   0.985   0.985
  200   3HD1  ILE  22          1HD1      ILE  22   4.514   1.300   1.300
  201    H    GLU  23           H        GLU  23   6.780   0.190   0.190
  202    HA   GLU  23           HA       GLU  23   9.603  -0.103  -0.103
  203   1HB   GLU  23          2HB       GLU  23   8.103   1.625   1.625
  204   2HB   GLU  23          1HB       GLU  23   7.368   0.353   0.353
  205   1HG   GLU  23          2HG       GLU  23   9.262   0.071   0.071
  206   2HG   GLU  23          1HG       GLU  23  10.348   0.651   0.651
  207    H    LYS  24           H        LYS  24   6.743  -1.846  -1.846
  208    HA   LYS  24           HA       LYS  24   8.382  -3.903  -3.903
  209   1HB   LYS  24          2HB       LYS  24   6.323  -2.981  -2.981
  210   2HB   LYS  24          1HB       LYS  24   5.392  -3.508  -3.508
  211   1HG   LYS  24          2HG       LYS  24   5.290  -5.652  -5.652
  212   2HG   LYS  24          1HG       LYS  24   6.990  -5.667  -5.667
  213   1HD   LYS  24          2HD       LYS  24   6.411  -4.375  -4.375
  214   2HD   LYS  24          1HD       LYS  24   4.708  -4.464  -4.464
  215   1HE   LYS  24          2HE       LYS  24   4.523  -6.596  -6.596
  216   2HE   LYS  24          1HE       LYS  24   6.024  -7.093  -7.093
  217   1HZ   LYS  24          3HZ       LYS  24   5.867  -5.475  -5.475
  218   2HZ   LYS  24          2HZ       LYS  24   6.249  -7.129  -7.129
  219   3HZ   LYS  24          1HZ       LYS  24   7.291  -5.985  -5.985
  220    H    PHE  25           H        PHE  25   7.822  -3.375  -3.375
  221    HA   PHE  25           HA       PHE  25   7.443  -6.235  -6.235
  222   1HB   PHE  25          2HB       PHE  25   5.427  -5.102  -5.102
  223   2HB   PHE  25          1HB       PHE  25   6.288  -3.664  -3.664
  224    HD1  PHE  25          1HD       PHE  25   6.327  -7.305  -7.305
  225    HD2  PHE  25          2HD       PHE  25   6.280  -3.264  -3.264
  226    HE1  PHE  25          1HE       PHE  25   6.342  -8.150  -8.150
  227    HE2  PHE  25          2HE       PHE  25   6.289  -4.115  -4.115
  228   1HZ   PHE  25           HZ       PHE  25   6.319  -6.560  -6.560
  229    H    LYS  26           H        LYS  26   8.141  -3.492  -3.492
  230    HA   LYS  26           HA       LYS  26   9.960  -3.080  -3.080
  231   1HB   LYS  26          2HB       LYS  26  10.885  -2.523  -2.523
  232   2HB   LYS  26          1HB       LYS  26  11.430  -4.192  -4.192
  233   1HG   LYS  26          2HG       LYS  26  13.052  -3.960  -3.960
  234   2HG   LYS  26          1HG       LYS  26  12.254  -2.555  -2.555
  235   1HD   LYS  26          2HD       LYS  26  13.128  -2.251  -2.251
  236   2HD   LYS  26          1HD       LYS  26  14.423  -2.383  -2.383
  237   1HE   LYS  26          2HE       LYS  26  13.881  -0.378  -0.378
  238   2HE   LYS  26          1HE       LYS  26  12.152  -0.543  -0.543
  239   1HZ   LYS  26          2HZ       LYS  26  14.228  -0.163  -0.163
  240   2HZ   LYS  26          1HZ       LYS  26  13.366   1.128   1.128
  241   3HZ   LYS  26          3HZ       LYS  26  12.543  -0.069  -0.069
  242    H    GLY  27           H        GLY  27   8.605  -5.640  -5.640
  243   1HA   GLY  27          2HA       GLY  27   8.937  -7.514  -7.514
  244   2HA   GLY  27          1HA       GLY  27  10.682  -7.241  -7.241
  245    H    ARG  28           H        ARG  28   8.649  -7.217  -7.217
  246    HA   ARG  28           HA       ARG  28   8.730  -8.441  -8.441
  247   1HB   ARG  28          2HB       ARG  28   7.682  -9.892  -9.892
  248   2HB   ARG  28          1HB       ARG  28   9.136 -10.865 -10.865
  249   1HG   ARG  28          2HG       ARG  28   7.923 -10.192 -10.192
  250   2HG   ARG  28          1HG       ARG  28   6.779 -11.023 -11.023
  251   1HD   ARG  28          2HD       ARG  28   8.046 -12.972 -12.972
  252   2HD   ARG  28          1HD       ARG  28   9.571 -12.112 -12.112
  253    HE   ARG  28           HE       ARG  28   8.176 -11.616 -11.616
  254   1HH1  ARG  28          1HH2      ARG  28   8.869 -14.564 -14.564
  255   2HH1  ARG  28          2HH2      ARG  28   8.824 -15.539 -15.539
  256   1HH2  ARG  28          1HH1      ARG  28   8.130 -12.916 -12.916
  257   2HH2  ARG  28          2HH1      ARG  28   8.412 -14.619 -14.619

  Start of MODEL   26
    1   1H    GLN   1          1HT       GLN   1 -11.632   0.945   0.945
    2   2H    GLN   1          3HT       GLN   1 -11.941   1.313   1.313
    3   3H    GLN   1          2HT       GLN   1 -12.975   0.261   0.261
    4    HA   GLN   1           HA       GLN   1 -13.881   1.978   1.978
    5   1HB   GLN   1          2HB       GLN   1 -13.398   2.606   2.606
    6   2HB   GLN   1          1HB       GLN   1 -14.415   3.653   3.653
    7   1HG   GLN   1          2HG       GLN   1 -15.603   1.432   1.432
    8   2HG   GLN   1          1HG       GLN   1 -14.851   0.774   0.774
    9   1HE2  GLN   1          2HE2      GLN   1 -17.300   2.188   2.188
   10   2HE2  GLN   1          1HE2      GLN   1 -16.145   0.970   0.970
   11    H    GLN   2           H        GLN   2 -10.887   2.912   2.912
   12    HA   GLN   2           HA       GLN   2 -10.798   5.573   5.573
   13   1HB   GLN   2          2HB       GLN   2  -8.818   3.935   3.935
   14   2HB   GLN   2          1HB       GLN   2  -8.605   5.632   5.632
   15   1HG   GLN   2          2HG       GLN   2 -10.956   4.558   4.558
   16   2HG   GLN   2          1HG       GLN   2  -9.537   5.318   5.318
   17   1HE2  GLN   2          2HE2      GLN   2 -12.472   7.661   7.661
   18   2HE2  GLN   2          1HE2      GLN   2 -12.646   5.993   5.993
   19    H    TYR   3           H        TYR   3  -8.443   2.863   2.863
   20    HA   TYR   3           HA       TYR   3  -7.923   3.533   3.533
   21   1HB   TYR   3          2HB       TYR   3  -6.171   2.664   2.664
   22   2HB   TYR   3          1HB       TYR   3  -5.645   2.462   2.462
   23    HD1  TYR   3          2HD       TYR   3  -7.235   5.026   5.026
   24    HD2  TYR   3          1HD       TYR   3  -4.506   4.233   4.233
   25    HE1  TYR   3          2HE       TYR   3  -6.688   7.440   7.440
   26    HE2  TYR   3          1HE       TYR   3  -3.952   6.643   6.643
   27    HH   TYR   3           HH       TYR   3  -5.408   8.909   8.909
   28    H    THR   4           H        THR   4  -8.986   2.069   2.069
   29    HA   THR   4           HA       THR   4  -9.516  -0.661  -0.661
   30    HB   THR   4           HB       THR   4  -9.762   0.649   0.649
   31    HG1  THR   4          1HG       THR   4 -10.997   1.884   1.884
   32   1HG2  THR   4          1HG2      THR   4 -10.886  -1.838  -1.838
   33   2HG2  THR   4          3HG2      THR   4 -11.760  -1.026  -1.026
   34   3HG2  THR   4          2HG2      THR   4 -10.134  -1.646  -1.646
   35    H    ALA   5           H        ALA   5  -6.735   0.761   0.761
   36    HA   ALA   5           HA       ALA   5  -5.828  -1.140  -1.140
   37   1HB   ALA   5          2HB       ALA   5  -5.008   1.261   1.261
   38   2HB   ALA   5          1HB       ALA   5  -3.897   0.228   0.228
   39   3HB   ALA   5          3HB       ALA   5  -3.928   0.165   0.165
   40    H    LYS   6           H        LYS   6  -6.612  -3.131  -3.131
   41    HA   LYS   6           HA       LYS   6  -5.212  -3.942  -3.942
   42   1HB   LYS   6          2HB       LYS   6  -6.328  -6.118  -6.118
   43   2HB   LYS   6          1HB       LYS   6  -7.447  -4.762  -4.762
   44   1HG   LYS   6          2HG       LYS   6  -7.805  -5.097  -5.097
   45   2HG   LYS   6          1HG       LYS   6  -6.087  -5.306  -5.306
   46   1HD   LYS   6          2HD       LYS   6  -6.529  -7.615  -7.615
   47   2HD   LYS   6          1HD       LYS   6  -8.154  -7.349  -7.349
   48   1HE   LYS   6          2HE       LYS   6  -7.120  -7.008  -7.008
   49   2HE   LYS   6          1HE       LYS   6  -5.578  -7.545  -7.545
   50   1HZ   LYS   6          3HZ       LYS   6  -8.129  -9.063  -9.063
   51   2HZ   LYS   6          2HZ       LYS   6  -6.866  -9.402  -9.402
   52   3HZ   LYS   6          1HZ       LYS   6  -6.622  -9.574  -9.574
   53    H    ILE   7           H        ILE   7  -3.049  -3.322  -3.322
   54    HA   ILE   7           HA       ILE   7  -1.770  -4.615  -4.615
   55    HB   ILE   7           HB       ILE   7  -0.787  -2.794  -2.794
   56   1HG1  ILE   7          2HG1      ILE   7   0.957  -5.171  -5.171
   57   2HG1  ILE   7          1HG1      ILE   7   0.838  -4.433  -4.433
   58   1HG2  ILE   7          1HG2      ILE   7  -1.573  -4.184  -4.184
   59   2HG2  ILE   7          3HG2      ILE   7   0.129  -3.736  -3.736
   60   3HG2  ILE   7          2HG2      ILE   7  -1.090  -2.499  -2.499
   61   1HD1  ILE   7          2HD1      ILE   7   1.351  -2.527  -2.527
   62   2HD1  ILE   7          1HD1      ILE   7   2.646  -3.692  -3.692
   63   3HD1  ILE   7          3HD1      ILE   7   2.104  -2.646  -2.646
   64    H    LYS   8           H        LYS   8  -0.406  -5.768  -5.768
   65    HA   LYS   8           HA       LYS   8  -0.255  -8.466  -8.466
   66   1HB   LYS   8          2HB       LYS   8   1.445  -7.332  -7.332
   67   2HB   LYS   8          1HB       LYS   8   0.277  -7.306  -7.306
   68   1HG   LYS   8          2HG       LYS   8   1.770  -9.216  -9.216
   69   2HG   LYS   8          1HG       LYS   8   0.150  -9.795  -9.795
   70   1HD   LYS   8          2HD       LYS   8   0.769 -10.527 -10.527
   71   2HD   LYS   8          1HD       LYS   8   2.006  -9.284  -9.284
   72   1HE   LYS   8          2HE       LYS   8   3.618 -10.683 -10.683
   73   2HE   LYS   8          1HE       LYS   8   2.655 -11.093 -11.093
   74   1HZ   LYS   8          1HZ       LYS   8   2.057 -12.147 -12.147
   75   2HZ   LYS   8          3HZ       LYS   8   3.035 -12.975 -12.975
   76   3HZ   LYS   8          2HZ       LYS   8   1.407 -12.664 -12.664
   77    H    GLY   9           H        GLY   9  -2.555  -6.678  -6.678
   78   1HA   GLY   9          2HA       GLY   9  -4.783  -8.047  -8.047
   79   2HA   GLY   9          1HA       GLY   9  -3.833  -9.154  -9.154
   80    H    ARG  10           H        ARG  10  -3.969  -5.594  -5.594
   81    HA   ARG  10           HA       ARG  10  -4.944  -5.524  -5.524
   82   1HB   ARG  10          2HB       ARG  10  -2.374  -5.604  -5.604
   83   2HB   ARG  10          1HB       ARG  10  -2.532  -3.977  -3.977
   84   1HG   ARG  10          2HG       ARG  10  -2.810  -3.065  -3.065
   85   2HG   ARG  10          1HG       ARG  10  -4.015  -4.271  -4.271
   86   1HD   ARG  10          2HD       ARG  10  -1.237  -5.294  -5.294
   87   2HD   ARG  10          1HD       ARG  10  -1.542  -4.111  -4.111
   88    HE   ARG  10           HE       ARG  10  -3.738  -5.750  -5.750
   89   1HH1  ARG  10          1HH2      ARG  10  -0.299  -6.387  -6.387
   90   2HH1  ARG  10          2HH2      ARG  10  -0.443  -7.834  -7.834
   91   1HH2  ARG  10          1HH1      ARG  10  -3.876  -7.627  -7.627
   92   2HH2  ARG  10          2HH1      ARG  10  -2.444  -8.530  -8.530
   93    H    THR  11           H        THR  11  -6.384  -3.850  -3.850
   94    HA   THR  11           HA       THR  11  -6.734  -1.882  -1.882
   95    HB   THR  11           HB       THR  11  -8.281  -2.157  -2.157
   96    HG1  THR  11          1HG       THR  11  -8.607  -3.578  -3.578
   97   1HG2  THR  11          2HG2      THR  11  -8.500  -0.266  -0.266
   98   2HG2  THR  11          1HG2      THR  11  -9.512  -1.501  -1.501
   99   3HG2  THR  11          3HG2      THR  11  -9.905  -0.894  -0.894
  100    H    PHE  12           H        PHE  12  -6.036   0.258   0.258
  101    HA   PHE  12           HA       PHE  12  -4.637   0.861   0.861
  102   1HB   PHE  12          2HB       PHE  12  -4.399   1.935   1.935
  103   2HB   PHE  12          1HB       PHE  12  -3.429   2.499   2.499
  104    HD1  PHE  12          2HD       PHE  12  -4.204  -0.429  -0.429
  105    HD2  PHE  12          1HD       PHE  12  -1.660   1.159   1.159
  106    HE1  PHE  12          2HE       PHE  12  -2.640  -2.323  -2.323
  107    HE2  PHE  12          1HE       PHE  12  -0.117  -0.751  -0.751
  108   1HZ   PHE  12           HZ       PHE  12  -0.601  -2.491  -2.491
  109    H    ARG  13           H        ARG  13  -4.827   3.022   3.022
  110    HA   ARG  13           HA       ARG  13  -7.539   4.173   4.173
  111   1HB   ARG  13          2HB       ARG  13  -5.208   4.633   4.633
  112   2HB   ARG  13          1HB       ARG  13  -6.752   5.475   5.475
  113   1HG   ARG  13          2HG       ARG  13  -7.404   3.741   3.741
  114   2HG   ARG  13          1HG       ARG  13  -7.532   2.825   2.825
  115   1HD   ARG  13          2HD       ARG  13  -4.923   2.454   2.454
  116   2HD   ARG  13          1HD       ARG  13  -5.378   2.751   2.751
  117    HE   ARG  13           HE       ARG  13  -7.188   0.913   0.913
  118   1HH1  ARG  13          1HH2      ARG  13  -4.224   1.191   1.191
  119   2HH1  ARG  13          2HH2      ARG  13  -4.298  -0.446  -0.446
  120   1HH2  ARG  13          1HH1      ARG  13  -7.242  -1.195  -1.195
  121   2HH2  ARG  13          2HH1      ARG  13  -5.987  -1.783  -1.783
  122    H    ASN  14           H        ASN  14  -4.143   5.014   5.014
  123    HA   ASN  14           HA       ASN  14  -5.032   7.425   7.425
  124   1HB   ASN  14          2HB       ASN  14  -3.180   8.670   8.670
  125   2HB   ASN  14          1HB       ASN  14  -4.222   8.011   8.011
  126   1HD2  ASN  14          2HD2      ASN  14  -1.709   5.905   5.905
  127   2HD2  ASN  14          1HD2      ASN  14  -3.342   6.360   6.360
  128    H    GLU  15           H        GLU  15  -3.222   8.164   8.164
  129    HA   GLU  15           HA       GLU  15  -2.257   5.938   5.938
  130   1HB   GLU  15          2HB       GLU  15  -2.930   8.170   8.170
  131   2HB   GLU  15          1HB       GLU  15  -1.551   8.886   8.886
  132   1HG   GLU  15          2HG       GLU  15  -0.008   7.517   7.517
  133   2HG   GLU  15          1HG       GLU  15  -1.376   6.768   6.768
  134    H    LYS  16           H        LYS  16  -0.741   8.190   8.190
  135    HA   LYS  16           HA       LYS  16   1.975   7.645   7.645
  136   1HB   LYS  16          2HB       LYS  16   0.574   9.162   9.162
  137   2HB   LYS  16          1HB       LYS  16   0.849   7.822   7.822
  138   1HG   LYS  16          2HG       LYS  16   2.728   9.143   9.143
  139   2HG   LYS  16          1HG       LYS  16   3.340   8.029   8.029
  140   1HD   LYS  16          2HD       LYS  16   2.670   9.746   9.746
  141   2HD   LYS  16          1HD       LYS  16   2.367  10.866  10.866
  142   1HE   LYS  16          2HE       LYS  16   4.636  10.981  10.981
  143   2HE   LYS  16          1HE       LYS  16   5.018   9.435   9.435
  144   1HZ   LYS  16          1HZ       LYS  16   4.396  10.472  10.472
  145   2HZ   LYS  16          3HZ       LYS  16   4.225  11.962  11.962
  146   3HZ   LYS  16          2HZ       LYS  16   5.747  11.211  11.211
  147    H    GLU  17           H        GLU  17  -0.350   5.811   5.811
  148    HA   GLU  17           HA       GLU  17   1.571   3.835   3.835
  149   1HB   GLU  17          2HB       GLU  17  -1.039   4.572   4.572
  150   2HB   GLU  17          1HB       GLU  17  -1.258   3.024   3.024
  151   1HG   GLU  17          2HG       GLU  17   0.250   1.930   1.930
  152   2HG   GLU  17          1HG       GLU  17   0.652   3.476   3.476
  153    H    LEU  18           H        LEU  18  -0.850   3.911   3.911
  154    HA   LEU  18           HA       LEU  18  -0.355   1.317   1.317
  155   1HB   LEU  18          2HB       LEU  18  -2.238   2.745   2.745
  156   2HB   LEU  18          1HB       LEU  18  -1.135   3.966   3.966
  157    HG   LEU  18           HG       LEU  18  -0.378   2.441   2.441
  158   1HD1  LEU  18          1HD1      LEU  18  -1.951   0.469   0.469
  159   2HD1  LEU  18          3HD1      LEU  18  -1.929   0.266   0.266
  160   3HD1  LEU  18          2HD1      LEU  18  -0.416   0.255   0.255
  161   1HD2  LEU  18          3HD2      LEU  18  -2.595   3.774   3.774
  162   2HD2  LEU  18          2HD2      LEU  18  -2.319   2.501   2.501
  163   3HD2  LEU  18          1HD2      LEU  18  -3.383   2.206   2.206
  164    H    ARG  19           H        ARG  19   1.456   4.312   4.312
  165    HA   ARG  19           HA       ARG  19   3.315   3.362   3.362
  166   1HB   ARG  19          2HB       ARG  19   3.036   5.848   5.848
  167   2HB   ARG  19          1HB       ARG  19   4.359   5.621   5.621
  168   1HG   ARG  19          2HG       ARG  19   1.641   5.116   5.116
  169   2HG   ARG  19          1HG       ARG  19   1.996   6.792   6.792
  170   1HD   ARG  19          2HD       ARG  19   4.231   5.544   5.544
  171   2HD   ARG  19          1HD       ARG  19   2.735   5.518   5.518
  172    HE   ARG  19           HE       ARG  19   2.737   8.065   8.065
  173   1HH1  ARG  19          1HH2      ARG  19   5.123   6.197   6.197
  174   2HH1  ARG  19          2HH2      ARG  19   5.837   7.597   7.597
  175   1HH2  ARG  19          1HH1      ARG  19   3.691   9.848   9.848
  176   2HH2  ARG  19          2HH1      ARG  19   5.037   9.641   9.641
  177    H    ASP  20           H        ASP  20   3.079   3.682   3.682
  178    HA   ASP  20           HA       ASP  20   5.933   2.988   2.988
  179   1HB   ASP  20          2HB       ASP  20   4.246   4.562   4.562
  180   2HB   ASP  20          1HB       ASP  20   3.896   3.049   3.049
  181    H    PHE  21           H        PHE  21   3.428   1.169   1.169
  182    HA   PHE  21           HA       PHE  21   3.682  -1.085  -1.085
  183   1HB   PHE  21          2HB       PHE  21   1.521  -0.418  -0.418
  184   2HB   PHE  21          1HB       PHE  21   2.211  -0.729  -0.729
  185    HD1  PHE  21          1HD       PHE  21   1.217  -2.297  -2.297
  186    HD2  PHE  21          2HD       PHE  21   2.485  -2.951  -2.951
  187    HE1  PHE  21          1HE       PHE  21   0.685  -4.702  -4.702
  188    HE2  PHE  21          2HE       PHE  21   1.945  -5.362  -5.362
  189   1HZ   PHE  21           HZ       PHE  21   1.043  -6.240  -6.240
  190    H    ILE  22           H        ILE  22   4.223  -0.465  -0.465
  191    HA   ILE  22           HA       ILE  22   5.622  -2.878  -2.878
  192    HB   ILE  22           HB       ILE  22   5.787  -0.145  -0.145
  193   1HG1  ILE  22          2HG1      ILE  22   4.214  -2.613  -2.613
  194   2HG1  ILE  22          1HG1      ILE  22   3.534  -1.236  -1.236
  195   1HG2  ILE  22          2HG2      ILE  22   7.053  -2.749  -2.749
  196   2HG2  ILE  22          1HG2      ILE  22   6.335  -1.870  -1.870
  197   3HG2  ILE  22          3HG2      ILE  22   7.594  -1.112  -1.112
  198   1HD1  ILE  22          1HD1      ILE  22   5.004  -0.720  -0.720
  199   2HD1  ILE  22          3HD1      ILE  22   3.377  -1.395  -1.395
  200   3HD1  ILE  22          2HD1      ILE  22   3.645   0.155   0.155
  201    H    GLU  23           H        GLU  23   6.638   0.192   0.192
  202    HA   GLU  23           HA       GLU  23   9.471  -0.154  -0.154
  203   1HB   GLU  23          2HB       GLU  23   7.527   1.382   1.382
  204   2HB   GLU  23          1HB       GLU  23   9.222   1.343   1.343
  205   1HG   GLU  23          2HG       GLU  23   8.676   1.902   1.902
  206   2HG   GLU  23          1HG       GLU  23   8.258   3.176   3.176
  207    H    LYS  24           H        LYS  24   7.040  -1.119  -1.119
  208    HA   LYS  24           HA       LYS  24   9.068  -2.612  -2.612
  209   1HB   LYS  24          2HB       LYS  24   6.149  -1.866  -1.866
  210   2HB   LYS  24          1HB       LYS  24   7.062  -2.826  -2.826
  211   1HG   LYS  24          2HG       LYS  24   8.004  -0.114  -0.114
  212   2HG   LYS  24          1HG       LYS  24   6.960  -0.311  -0.311
  213   1HD   LYS  24          2HD       LYS  24   8.710  -2.007  -2.007
  214   2HD   LYS  24          1HD       LYS  24   9.773  -1.332  -1.332
  215   1HE   LYS  24          2HE       LYS  24   8.792   0.952   0.952
  216   2HE   LYS  24          1HE       LYS  24   8.928  -0.164  -0.164
  217   1HZ   LYS  24          3HZ       LYS  24  11.167  -0.757  -0.757
  218   2HZ   LYS  24          2HZ       LYS  24  11.036   0.467   0.467
  219   3HZ   LYS  24          1HZ       LYS  24  11.050   0.866   0.866
  220    H    PHE  25           H        PHE  25   7.646  -3.322  -3.322
  221    HA   PHE  25           HA       PHE  25   6.436  -5.954  -5.954
  222   1HB   PHE  25          2HB       PHE  25   5.207  -4.394  -4.394
  223   2HB   PHE  25          1HB       PHE  25   6.607  -4.190  -4.190
  224    HD1  PHE  25          2HD       PHE  25   5.448  -7.470  -7.470
  225    HD2  PHE  25          1HD       PHE  25   5.607  -4.768  -4.768
  226    HE1  PHE  25          2HE       PHE  25   4.639  -9.280  -9.280
  227    HE2  PHE  25          1HE       PHE  25   4.795  -6.585  -6.585
  228   1HZ   PHE  25           HZ       PHE  25   4.312  -8.838  -8.838
  229    H    LYS  26           H        LYS  26   9.490  -4.890  -4.890
  230    HA   LYS  26           HA       LYS  26  11.491  -5.857  -5.857
  231   1HB   LYS  26          2HB       LYS  26   9.607  -8.175  -8.175
  232   2HB   LYS  26          1HB       LYS  26  11.194  -8.462  -8.462
  233   1HG   LYS  26          2HG       LYS  26  10.853  -6.902  -6.902
  234   2HG   LYS  26          1HG       LYS  26  11.020  -8.657  -8.657
  235   1HD   LYS  26          2HD       LYS  26  12.995  -6.901  -6.901
  236   2HD   LYS  26          1HD       LYS  26  13.177  -7.249  -7.249
  237   1HE   LYS  26          2HE       LYS  26  13.516  -9.550  -9.550
  238   2HE   LYS  26          1HE       LYS  26  12.758  -9.495  -9.495
  239   1HZ   LYS  26          1HZ       LYS  26  14.561  -7.971  -7.971
  240   2HZ   LYS  26          3HZ       LYS  26  15.326  -8.233  -8.233
  241   3HZ   LYS  26          2HZ       LYS  26  15.123  -9.522  -9.522
  242    H    GLY  27           H        GLY  27   9.499  -4.754  -4.754
  243   1HA   GLY  27          2HA       GLY  27  10.382  -6.169  -6.169
  244   2HA   GLY  27          1HA       GLY  27   8.718  -5.613  -5.613
  245    H    ARG  28           H        ARG  28   9.154  -3.145  -3.145
  246    HA   ARG  28           HA       ARG  28   9.557  -0.895  -0.895
  247   1HB   ARG  28          2HB       ARG  28  11.918  -2.262  -2.262
  248   2HB   ARG  28          1HB       ARG  28  12.063  -1.592  -1.592
  249   1HG   ARG  28          2HG       ARG  28  11.530   0.663   0.663
  250   2HG   ARG  28          1HG       ARG  28  11.485  -0.027  -0.027
  251   1HD   ARG  28          2HD       ARG  28  13.925  -0.527  -0.527
  252   2HD   ARG  28          1HD       ARG  28  13.727   1.066   1.066
  253    HE   ARG  28           HE       ARG  28  13.100  -0.652  -0.652
  254   1HH1  ARG  28          1HH2      ARG  28  15.822  -0.446  -0.446
  255   2HH1  ARG  28          2HH2      ARG  28  16.922  -1.127  -1.127
  256   1HH2  ARG  28          1HH1      ARG  28  14.559  -1.529  -1.529
  257   2HH2  ARG  28          2HH1      ARG  28  16.218  -1.735  -1.735

  Start of MODEL   27
    1   1H    GLN   1          1HT       GLN   1 -13.552   4.093   4.093
    2   2H    GLN   1          3HT       GLN   1 -13.615   3.396   3.396
    3   3H    GLN   1          2HT       GLN   1 -15.050   3.670   3.670
    4    HA   GLN   1           HA       GLN   1 -14.937   5.988   5.988
    5   1HB   GLN   1          2HB       GLN   1 -14.258   4.241   4.241
    6   2HB   GLN   1          1HB       GLN   1 -14.375   5.982   5.982
    7   1HG   GLN   1          2HG       GLN   1 -16.634   5.816   5.816
    8   2HG   GLN   1          1HG       GLN   1 -16.513   4.080   4.080
    9   1HE2  GLN   1          2HE2      GLN   1 -16.531   4.653   4.653
   10   2HE2  GLN   1          1HE2      GLN   1 -15.519   3.871   3.871
   11    H    GLN   2           H        GLN   2 -11.879   4.362   4.362
   12    HA   GLN   2           HA       GLN   2 -10.475   6.992   6.992
   13   1HB   GLN   2          2HB       GLN   2 -10.322   4.878   4.878
   14   2HB   GLN   2          1HB       GLN   2  -8.864   5.789   5.789
   15   1HG   GLN   2          2HG       GLN   2  -9.649   7.688   7.688
   16   2HG   GLN   2          1HG       GLN   2 -11.261   7.476   7.476
   17   1HE2  GLN   2          2HE2      GLN   2 -12.267   5.278   5.278
   18   2HE2  GLN   2          1HE2      GLN   2 -12.325   5.277   5.277
   19    H    TYR   3           H        TYR   3  -8.601   4.099   4.099
   20    HA   TYR   3           HA       TYR   3  -7.847   4.020   4.020
   21   1HB   TYR   3          2HB       TYR   3  -6.371   3.925   3.925
   22   2HB   TYR   3          1HB       TYR   3  -5.729   2.954   2.954
   23    HD1  TYR   3          2HD       TYR   3  -7.342   6.308   6.308
   24    HD2  TYR   3          1HD       TYR   3  -4.066   4.028   4.028
   25    HE1  TYR   3          2HE       TYR   3  -6.448   8.355   8.355
   26    HE2  TYR   3          1HE       TYR   3  -3.148   6.086   6.086
   27    HH   TYR   3           HH       TYR   3  -4.056   9.138   9.138
   28    H    THR   4           H        THR   4  -9.056   2.359   2.359
   29    HA   THR   4           HA       THR   4  -9.569  -0.115  -0.115
   30    HB   THR   4           HB       THR   4  -9.895   0.551   0.551
   31    HG1  THR   4          1HG       THR   4 -11.704   0.932   0.932
   32   1HG2  THR   4          3HG2      THR   4 -11.188  -1.459  -1.459
   33   2HG2  THR   4          2HG2      THR   4 -11.845  -1.051  -1.051
   34   3HG2  THR   4          1HG2      THR   4 -10.249  -1.788  -1.788
   35    H    ALA   5           H        ALA   5  -6.823   0.993   0.993
   36    HA   ALA   5           HA       ALA   5  -5.817  -0.939  -0.939
   37   1HB   ALA   5          2HB       ALA   5  -4.835   1.120   1.120
   38   2HB   ALA   5          1HB       ALA   5  -3.734  -0.258  -0.258
   39   3HB   ALA   5          3HB       ALA   5  -4.113   0.509   0.509
   40    H    LYS   6           H        LYS   6  -6.464  -3.095  -3.095
   41    HA   LYS   6           HA       LYS   6  -5.519  -4.251  -4.251
   42   1HB   LYS   6          2HB       LYS   6  -7.852  -4.553  -4.553
   43   2HB   LYS   6          1HB       LYS   6  -6.980  -5.716  -5.716
   44   1HG   LYS   6          2HG       LYS   6  -6.220  -6.866  -6.866
   45   2HG   LYS   6          1HG       LYS   6  -7.246  -5.771  -5.771
   46   1HD   LYS   6          2HD       LYS   6  -8.513  -7.786  -7.786
   47   2HD   LYS   6          1HD       LYS   6  -9.195  -6.555  -6.555
   48   1HE   LYS   6          2HE       LYS   6  -7.045  -7.903  -7.903
   49   2HE   LYS   6          1HE       LYS   6  -8.196  -9.100  -9.100
   50   1HZ   LYS   6          3HZ       LYS   6 -10.008  -7.755  -7.755
   51   2HZ   LYS   6          2HZ       LYS   6  -8.887  -6.652  -6.652
   52   3HZ   LYS   6          1HZ       LYS   6  -8.948  -8.245  -8.245
   53    H    ILE   7           H        ILE   7  -3.400  -3.514  -3.514
   54    HA   ILE   7           HA       ILE   7  -2.297  -4.925  -4.925
   55    HB   ILE   7           HB       ILE   7  -1.221  -3.064  -3.064
   56   1HG1  ILE   7          2HG1      ILE   7   0.588  -5.392  -5.392
   57   2HG1  ILE   7          1HG1      ILE   7   0.334  -4.750  -4.750
   58   1HG2  ILE   7          1HG2      ILE   7  -1.677  -4.415  -4.415
   59   2HG2  ILE   7          3HG2      ILE   7  -0.079  -3.678  -3.678
   60   3HG2  ILE   7          2HG2      ILE   7  -1.522  -2.697  -2.697
   61   1HD1  ILE   7          2HD1      ILE   7   1.216  -3.005  -3.005
   62   2HD1  ILE   7          1HD1      ILE   7   2.370  -3.865  -3.865
   63   3HD1  ILE   7          3HD1      ILE   7   1.297  -2.654  -2.654
   64    H    LYS   8           H        LYS   8  -0.647  -5.968  -5.968
   65    HA   LYS   8           HA       LYS   8  -0.572  -8.688  -8.688
   66   1HB   LYS   8          2HB       LYS   8   0.380  -7.085  -7.085
   67   2HB   LYS   8          1HB       LYS   8   0.325  -8.834  -8.834
   68   1HG   LYS   8          2HG       LYS   8   1.550  -7.697  -7.697
   69   2HG   LYS   8          1HG       LYS   8   2.486  -7.682  -7.682
   70   1HD   LYS   8          2HD       LYS   8   1.102 -10.193 -10.193
   71   2HD   LYS   8          1HD       LYS   8   2.699  -9.759  -9.759
   72   1HE   LYS   8          2HE       LYS   8   3.409  -9.510  -9.510
   73   2HE   LYS   8          1HE       LYS   8   1.903 -10.361 -10.361
   74   1HZ   LYS   8          3HZ       LYS   8   3.889 -11.335 -11.335
   75   2HZ   LYS   8          2HZ       LYS   8   3.825 -11.869 -11.869
   76   3HZ   LYS   8          1HZ       LYS   8   2.520 -12.163 -12.163
   77    H    GLY   9           H        GLY   9  -2.614  -6.874  -6.874
   78   1HA   GLY   9          2HA       GLY   9  -4.880  -8.312  -8.312
   79   2HA   GLY   9          1HA       GLY   9  -3.856  -9.290  -9.290
   80    H    ARG  10           H        ARG  10  -4.054  -5.756  -5.756
   81    HA   ARG  10           HA       ARG  10  -5.228  -5.409  -5.409
   82   1HB   ARG  10          2HB       ARG  10  -3.156  -3.885  -3.885
   83   2HB   ARG  10          1HB       ARG  10  -3.029  -5.626  -5.626
   84   1HG   ARG  10          2HG       ARG  10  -2.307  -4.731  -4.731
   85   2HG   ARG  10          1HG       ARG  10  -1.245  -4.125  -4.125
   86   1HD   ARG  10          2HD       ARG  10  -1.992  -7.028  -7.028
   87   2HD   ARG  10          1HD       ARG  10  -0.781  -6.498  -6.498
   88    HE   ARG  10           HE       ARG  10   0.004  -5.235  -5.235
   89   1HH1  ARG  10          1HH2      ARG  10  -0.670  -8.558  -8.558
   90   2HH1  ARG  10          2HH2      ARG  10   0.443  -9.190  -9.190
   91   1HH2  ARG  10          1HH1      ARG  10   1.434  -6.098  -6.098
   92   2HH2  ARG  10          2HH1      ARG  10   1.623  -7.815  -7.815
   93    H    THR  11           H        THR  11  -6.758  -3.916  -3.916
   94    HA   THR  11           HA       THR  11  -6.218  -1.829  -1.829
   95    HB   THR  11           HB       THR  11  -8.459  -2.848  -2.848
   96    HG1  THR  11          1HG       THR  11  -8.462  -0.186  -0.186
   97   1HG2  THR  11          3HG2      THR  11  -8.149  -1.874  -1.874
   98   2HG2  THR  11          2HG2      THR  11  -9.743  -2.135  -2.135
   99   3HG2  THR  11          1HG2      THR  11  -8.610  -3.477  -3.477
  100    H    PHE  12           H        PHE  12  -5.716   0.349   0.349
  101    HA   PHE  12           HA       PHE  12  -4.983   0.794   0.794
  102   1HB   PHE  12          2HB       PHE  12  -3.974   1.792   1.792
  103   2HB   PHE  12          1HB       PHE  12  -3.453   2.502   2.502
  104    HD1  PHE  12          1HD       PHE  12  -3.435  -0.603  -0.603
  105    HD2  PHE  12          2HD       PHE  12  -2.045   1.303   1.303
  106    HE1  PHE  12          1HE       PHE  12  -1.748  -2.401  -2.401
  107    HE2  PHE  12          2HE       PHE  12  -0.406  -0.514  -0.514
  108   1HZ   PHE  12           HZ       PHE  12  -0.266  -2.365  -2.365
  109    H    ARG  13           H        ARG  13  -4.833   3.388   3.388
  110    HA   ARG  13           HA       ARG  13  -7.585   4.419   4.419
  111   1HB   ARG  13          2HB       ARG  13  -6.382   4.128   4.128
  112   2HB   ARG  13          1HB       ARG  13  -5.552   5.618   5.618
  113   1HG   ARG  13          2HG       ARG  13  -8.081   6.337   6.337
  114   2HG   ARG  13          1HG       ARG  13  -8.411   5.179   5.179
  115   1HD   ARG  13          2HD       ARG  13  -6.820   6.396   6.396
  116   2HD   ARG  13          1HD       ARG  13  -6.572   7.592   7.592
  117    HE   ARG  13           HE       ARG  13  -9.392   7.128   7.128
  118   1HH1  ARG  13          1HH2      ARG  13  -6.529   8.971   8.971
  119   2HH1  ARG  13          2HH2      ARG  13  -7.439  10.281  10.281
  120   1HH2  ARG  13          1HH1      ARG  13 -10.526   8.845   8.845
  121   2HH2  ARG  13          2HH1      ARG  13  -9.676  10.213  10.213
  122    H    ASN  14           H        ASN  14  -4.143   5.220   5.220
  123    HA   ASN  14           HA       ASN  14  -4.846   7.326   7.326
  124   1HB   ASN  14          2HB       ASN  14  -3.135   8.773   8.773
  125   2HB   ASN  14          1HB       ASN  14  -4.401   8.352   8.352
  126   1HD2  ASN  14          2HD2      ASN  14  -2.197   6.622   6.622
  127   2HD2  ASN  14          1HD2      ASN  14  -3.790   7.133   7.133
  128    H    GLU  15           H        GLU  15  -2.856   7.890   7.890
  129    HA   GLU  15           HA       GLU  15  -1.681   5.517   5.517
  130   1HB   GLU  15          2HB       GLU  15  -2.151   7.799   7.799
  131   2HB   GLU  15          1HB       GLU  15  -0.667   8.348   8.348
  132   1HG   GLU  15          2HG       GLU  15   0.649   6.719   6.719
  133   2HG   GLU  15          1HG       GLU  15  -0.802   5.939   5.939
  134    H    LYS  16           H        LYS  16  -0.413   7.986   7.986
  135    HA   LYS  16           HA       LYS  16   2.295   7.243   7.243
  136   1HB   LYS  16          2HB       LYS  16   0.311   8.528   8.528
  137   2HB   LYS  16          1HB       LYS  16   1.777   7.941   7.941
  138   1HG   LYS  16          2HG       LYS  16   3.156   9.381   9.381
  139   2HG   LYS  16          1HG       LYS  16   2.021   9.518   9.518
  140   1HD   LYS  16          2HD       LYS  16   0.507  10.588  10.588
  141   2HD   LYS  16          1HD       LYS  16   2.106  11.017  11.017
  142   1HE   LYS  16          2HE       LYS  16   2.619  12.311  12.311
  143   2HE   LYS  16          1HE       LYS  16   1.350  11.537  11.537
  144   1HZ   LYS  16          2HZ       LYS  16  -0.305  12.459  12.459
  145   2HZ   LYS  16          1HZ       LYS  16   0.923  13.263  13.263
  146   3HZ   LYS  16          3HZ       LYS  16   0.594  13.689  13.689
  147    H    GLU  17           H        GLU  17  -0.361   6.001   6.001
  148    HA   GLU  17           HA       GLU  17   1.258   4.001   4.001
  149   1HB   GLU  17          2HB       GLU  17  -1.315   5.058   5.058
  150   2HB   GLU  17          1HB       GLU  17  -1.605   3.400   3.400
  151   1HG   GLU  17          2HG       GLU  17  -0.014   2.672   2.672
  152   2HG   GLU  17          1HG       GLU  17  -0.111   4.327   4.327
  153    H    LEU  18           H        LEU  18  -0.840   3.983   3.983
  154    HA   LEU  18           HA       LEU  18  -0.651   1.205   1.205
  155   1HB   LEU  18          2HB       LEU  18  -2.237   2.716   2.716
  156   2HB   LEU  18          1HB       LEU  18  -0.937   3.761   3.761
  157    HG   LEU  18           HG       LEU  18  -0.106   1.922   1.922
  158   1HD1  LEU  18          3HD1      LEU  18  -2.553   0.493   0.493
  159   2HD1  LEU  18          2HD1      LEU  18  -1.630  -0.051  -0.051
  160   3HD1  LEU  18          1HD1      LEU  18  -0.870   0.000   0.000
  161   1HD2  LEU  18          2HD2      LEU  18  -1.997   3.634   3.634
  162   2HD2  LEU  18          1HD2      LEU  18  -1.676   2.280   2.280
  163   3HD2  LEU  18          3HD2      LEU  18  -3.040   2.214   2.214
  164    H    ARG  19           H        ARG  19   1.525   3.934   3.934
  165    HA   ARG  19           HA       ARG  19   3.446   2.471   2.471
  166   1HB   ARG  19          2HB       ARG  19   2.946   4.881   4.881
  167   2HB   ARG  19          1HB       ARG  19   3.483   5.194   5.194
  168   1HG   ARG  19          2HG       ARG  19   5.712   4.904   4.904
  169   2HG   ARG  19          1HG       ARG  19   5.365   3.754   3.754
  170   1HD   ARG  19          2HD       ARG  19   6.132   5.818   5.818
  171   2HD   ARG  19          1HD       ARG  19   4.385   5.699   5.699
  172    HE   ARG  19           HE       ARG  19   4.646   7.023   7.023
  173   1HH1  ARG  19          1HH2      ARG  19   5.659   7.576   7.576
  174   2HH1  ARG  19          2HH2      ARG  19   5.632   9.296   9.296
  175   1HH2  ARG  19          1HH1      ARG  19   4.623   9.251   9.251
  176   2HH2  ARG  19          2HH1      ARG  19   5.053  10.237  10.237
  177    H    ASP  20           H        ASP  20   2.892   3.248   3.248
  178    HA   ASP  20           HA       ASP  20   5.607   2.737   2.737
  179   1HB   ASP  20          2HB       ASP  20   3.376   3.899   3.899
  180   2HB   ASP  20          1HB       ASP  20   3.279   2.321   2.321
  181    H    PHE  21           H        PHE  21   2.908   0.692   0.692
  182    HA   PHE  21           HA       PHE  21   3.820  -1.631  -1.631
  183   1HB   PHE  21          2HB       PHE  21   1.473  -1.515  -1.515
  184   2HB   PHE  21          1HB       PHE  21   1.732  -1.041  -1.041
  185    HD1  PHE  21          1HD       PHE  21   3.516  -3.799  -3.799
  186    HD2  PHE  21          2HD       PHE  21   0.468  -2.749  -2.749
  187    HE1  PHE  21          1HE       PHE  21   3.412  -6.144  -6.144
  188    HE2  PHE  21          2HE       PHE  21   0.362  -5.124  -5.124
  189   1HZ   PHE  21           HZ       PHE  21   1.830  -6.821  -6.821
  190    H    ILE  22           H        ILE  22   3.784  -0.647  -0.647
  191    HA   ILE  22           HA       ILE  22   5.299  -2.895  -2.895
  192    HB   ILE  22           HB       ILE  22   4.956  -0.131  -0.131
  193   1HG1  ILE  22          2HG1      ILE  22   3.487  -2.708  -2.708
  194   2HG1  ILE  22          1HG1      ILE  22   2.873  -1.474  -1.474
  195   1HG2  ILE  22          2HG2      ILE  22   6.321  -2.584  -2.584
  196   2HG2  ILE  22          1HG2      ILE  22   5.256  -1.807  -1.807
  197   3HG2  ILE  22          3HG2      ILE  22   6.589  -0.904  -0.904
  198   1HD1  ILE  22          1HD1      ILE  22   3.324   0.135   0.135
  199   2HD1  ILE  22          3HD1      ILE  22   3.213  -1.360  -1.360
  200   3HD1  ILE  22          2HD1      ILE  22   1.851  -0.835  -0.835
  201    H    GLU  23           H        GLU  23   6.204   0.121   0.121
  202    HA   GLU  23           HA       GLU  23   8.959   0.223   0.223
  203   1HB   GLU  23          2HB       GLU  23   7.660   2.066   2.066
  204   2HB   GLU  23          1HB       GLU  23   7.577   1.115   1.115
  205   1HG   GLU  23          2HG       GLU  23  10.162   1.038   1.038
  206   2HG   GLU  23          1HG       GLU  23   9.998   2.367   2.367
  207    H    LYS  24           H        LYS  24   7.166  -1.379  -1.379
  208    HA   LYS  24           HA       LYS  24   9.548  -2.626  -2.626
  209   1HB   LYS  24          2HB       LYS  24   7.572  -1.833  -1.833
  210   2HB   LYS  24          1HB       LYS  24   6.553  -2.982  -2.982
  211   1HG   LYS  24          2HG       LYS  24   7.122  -3.990  -3.990
  212   2HG   LYS  24          1HG       LYS  24   8.055  -4.824  -4.824
  213   1HD   LYS  24          2HD       LYS  24   9.855  -4.380  -4.380
  214   2HD   LYS  24          1HD       LYS  24   9.734  -2.739  -2.739
  215   1HE   LYS  24          2HE       LYS  24   7.951  -2.476  -2.476
  216   2HE   LYS  24          1HE       LYS  24   8.893  -3.805  -3.805
  217   1HZ   LYS  24          2HZ       LYS  24  10.040  -1.295  -1.295
  218   2HZ   LYS  24          1HZ       LYS  24   9.844  -1.625  -1.625
  219   3HZ   LYS  24          3HZ       LYS  24  10.912  -2.559  -2.559
  220    H    PHE  25           H        PHE  25   7.511  -3.259  -3.259
  221    HA   PHE  25           HA       PHE  25   7.526  -6.194  -6.194
  222   1HB   PHE  25          2HB       PHE  25   5.673  -4.943  -4.943
  223   2HB   PHE  25          1HB       PHE  25   6.762  -4.044  -4.044
  224    HD1  PHE  25          2HD       PHE  25   6.822  -7.718  -7.718
  225    HD2  PHE  25          1HD       PHE  25   5.929  -4.533  -4.533
  226    HE1  PHE  25          2HE       PHE  25   6.506  -9.379  -9.379
  227    HE2  PHE  25          1HE       PHE  25   5.614  -6.194  -6.194
  228   1HZ   PHE  25           HZ       PHE  25   5.902  -8.616  -8.616
  229    H    LYS  26           H        LYS  26   9.999  -4.071  -4.071
  230    HA   LYS  26           HA       LYS  26  12.105  -4.266  -4.266
  231   1HB   LYS  26          2HB       LYS  26  11.149  -6.894  -6.894
  232   2HB   LYS  26          1HB       LYS  26  11.771  -6.908  -6.908
  233   1HG   LYS  26          2HG       LYS  26  13.658  -7.421  -7.421
  234   2HG   LYS  26          1HG       LYS  26  13.841  -5.705  -5.705
  235   1HD   LYS  26          2HD       LYS  26  14.145  -5.590  -5.590
  236   2HD   LYS  26          1HD       LYS  26  12.384  -5.489  -5.489
  237   1HE   LYS  26          2HE       LYS  26  12.738  -8.205  -8.205
  238   2HE   LYS  26          1HE       LYS  26  14.117  -7.689  -7.689
  239   1HZ   LYS  26          2HZ       LYS  26  12.528  -6.218  -6.218
  240   2HZ   LYS  26          1HZ       LYS  26  11.257  -6.993  -6.993
  241   3HZ   LYS  26          3HZ       LYS  26  12.251  -7.878  -7.878
  242    H    GLY  27           H        GLY  27   9.710  -3.292  -3.292
  243   1HA   GLY  27          2HA       GLY  27  10.650  -3.650  -3.650
  244   2HA   GLY  27          1HA       GLY  27   8.931  -3.803  -3.803
  245    H    ARG  28           H        ARG  28   8.598  -1.777  -1.777
  246    HA   ARG  28           HA       ARG  28   8.129   0.527   0.527
  247   1HB   ARG  28          2HB       ARG  28  10.772   0.184   0.184
  248   2HB   ARG  28          1HB       ARG  28  10.652   1.028   1.028
  249   1HG   ARG  28          2HG       ARG  28   9.043   2.596   2.596
  250   2HG   ARG  28          1HG       ARG  28  10.199   2.044   2.044
  251   1HD   ARG  28          2HD       ARG  28  10.960   3.314   3.314
  252   2HD   ARG  28          1HD       ARG  28  10.978   4.141   4.141
  253    HE   ARG  28           HE       ARG  28  12.452   1.834   1.834
  254   1HH1  ARG  28          1HH2      ARG  28  12.647   4.463   4.463
  255   2HH1  ARG  28          2HH2      ARG  28  14.362   4.326   4.326
  256   1HH2  ARG  28          1HH1      ARG  28  14.671   1.695   1.695
  257   2HH2  ARG  28          2HH1      ARG  28  15.498   2.777   2.777

  Start of MODEL   28
    1   1H    GLN   1          2HT       GLN   1 -13.365   3.345   3.345
    2   2H    GLN   1          1HT       GLN   1 -14.675   4.408   4.408
    3   3H    GLN   1          3HT       GLN   1 -14.932   2.732   2.732
    4    HA   GLN   1           HA       GLN   1 -13.792   2.496   2.496
    5   1HB   GLN   1          2HB       GLN   1 -15.679   4.867   4.867
    6   2HB   GLN   1          1HB       GLN   1 -15.267   4.036   4.036
    7   1HG   GLN   1          2HG       GLN   1 -16.080   1.895   1.895
    8   2HG   GLN   1          1HG       GLN   1 -16.663   2.854   2.854
    9   1HE2  GLN   1          2HE2      GLN   1 -19.695   3.360   3.360
   10   2HE2  GLN   1          1HE2      GLN   1 -18.915   2.898   2.898
   11    H    GLN   2           H        GLN   2 -11.530   3.093   3.093
   12    HA   GLN   2           HA       GLN   2 -10.946   5.939   5.939
   13   1HB   GLN   2          2HB       GLN   2  -9.763   4.010   4.010
   14   2HB   GLN   2          1HB       GLN   2  -8.656   5.113   5.113
   15   1HG   GLN   2          2HG       GLN   2  -9.256   6.447   6.447
   16   2HG   GLN   2          1HG       GLN   2 -10.531   6.895   6.895
   17   1HE2  GLN   2          2HE2      GLN   2 -11.525   4.281   4.281
   18   2HE2  GLN   2          1HE2      GLN   2  -9.948   4.250   4.250
   19    H    TYR   3           H        TYR   3  -8.692   3.182   3.182
   20    HA   TYR   3           HA       TYR   3  -8.377   3.543   3.543
   21   1HB   TYR   3          2HB       TYR   3  -6.520   3.066   3.066
   22   2HB   TYR   3          1HB       TYR   3  -6.065   2.459   2.459
   23    HD1  TYR   3          1HD       TYR   3  -7.686   5.521   5.521
   24    HD2  TYR   3          2HD       TYR   3  -4.751   3.897   3.897
   25    HE1  TYR   3          1HE       TYR   3  -7.098   7.811   7.811
   26    HE2  TYR   3          2HE       TYR   3  -4.137   6.186   6.186
   27    HH   TYR   3           HH       TYR   3  -5.134   8.969   8.969
   28    H    THR   4           H        THR   4  -9.568   1.957   1.957
   29    HA   THR   4           HA       THR   4  -9.765  -0.739  -0.739
   30    HB   THR   4           HB       THR   4 -10.621   0.350   0.350
   31    HG1  THR   4          1HG       THR   4 -11.623   1.622   1.622
   32   1HG2  THR   4          3HG2      THR   4 -11.460  -2.024  -2.024
   33   2HG2  THR   4          2HG2      THR   4 -12.410  -1.426  -1.426
   34   3HG2  THR   4          1HG2      THR   4 -10.778  -2.041  -2.041
   35    H    ALA   5           H        ALA   5  -7.434   0.842   0.842
   36    HA   ALA   5           HA       ALA   5  -6.678  -0.996  -0.996
   37   1HB   ALA   5          2HB       ALA   5  -5.781   1.395   1.395
   38   2HB   ALA   5          1HB       ALA   5  -4.473   0.293   0.293
   39   3HB   ALA   5          3HB       ALA   5  -4.953   0.474   0.474
   40    H    LYS   6           H        LYS   6  -6.914  -3.163  -3.163
   41    HA   LYS   6           HA       LYS   6  -5.334  -3.998  -3.998
   42   1HB   LYS   6          2HB       LYS   6  -7.470  -4.994  -4.994
   43   2HB   LYS   6          1HB       LYS   6  -6.272  -6.242  -6.242
   44   1HG   LYS   6          2HG       LYS   6  -6.523  -5.934  -5.934
   45   2HG   LYS   6          1HG       LYS   6  -7.583  -4.546  -4.546
   46   1HD   LYS   6          2HD       LYS   6  -9.362  -5.863  -5.863
   47   2HD   LYS   6          1HD       LYS   6  -8.309  -7.190  -7.190
   48   1HE   LYS   6          2HE       LYS   6  -7.756  -7.225  -7.225
   49   2HE   LYS   6          1HE       LYS   6  -9.388  -6.533  -6.533
   50   1HZ   LYS   6          2HZ       LYS   6 -10.154  -8.304  -8.304
   51   2HZ   LYS   6          1HZ       LYS   6  -8.604  -8.998  -8.998
   52   3HZ   LYS   6          3HZ       LYS   6  -9.523  -8.935  -8.935
   53    H    ILE   7           H        ILE   7  -3.260  -3.221  -3.221
   54    HA   ILE   7           HA       ILE   7  -2.139  -4.268  -4.268
   55    HB   ILE   7           HB       ILE   7  -1.176  -2.421  -2.421
   56   1HG1  ILE   7          2HG1      ILE   7   0.814  -4.671  -4.671
   57   2HG1  ILE   7          1HG1      ILE   7   0.420  -3.917  -3.917
   58   1HG2  ILE   7          3HG2      ILE   7  -1.663  -3.894  -3.894
   59   2HG2  ILE   7          2HG2      ILE   7   0.071  -3.575  -3.575
   60   3HG2  ILE   7          1HG2      ILE   7  -1.075  -2.237  -2.237
   61   1HD1  ILE   7          1HD1      ILE   7   1.090  -2.063  -2.063
   62   2HD1  ILE   7          3HD1      ILE   7   2.418  -3.047  -3.047
   63   3HD1  ILE   7          2HD1      ILE   7   1.530  -1.986  -1.986
   64    H    LYS   8           H        LYS   8  -0.342  -5.446  -5.446
   65    HA   LYS   8           HA       LYS   8  -0.135  -8.082  -8.082
   66   1HB   LYS   8          2HB       LYS   8   1.543  -6.922  -6.922
   67   2HB   LYS   8          1HB       LYS   8   0.420  -7.063  -7.063
   68   1HG   LYS   8          2HG       LYS   8   1.801  -8.942  -8.942
   69   2HG   LYS   8          1HG       LYS   8   0.414  -9.606  -9.606
   70   1HD   LYS   8          2HD       LYS   8   1.583  -9.534  -9.534
   71   2HD   LYS   8          1HD       LYS   8   2.907  -8.608  -8.608
   72   1HE   LYS   8          2HE       LYS   8   3.936 -10.611 -10.611
   73   2HE   LYS   8          1HE       LYS   8   2.748 -10.888 -10.888
   74   1HZ   LYS   8          1HZ       LYS   8   2.324 -11.499 -11.499
   75   2HZ   LYS   8          3HZ       LYS   8   2.685 -12.650 -12.650
   76   3HZ   LYS   8          2HZ       LYS   8   1.219 -11.792 -11.792
   77    H    GLY   9           H        GLY   9  -2.460  -6.516  -6.516
   78   1HA   GLY   9          2HA       GLY   9  -4.615  -7.994  -7.994
   79   2HA   GLY   9          1HA       GLY   9  -3.580  -9.106  -9.106
   80    H    ARG  10           H        ARG  10  -3.878  -5.550  -5.550
   81    HA   ARG  10           HA       ARG  10  -4.815  -5.688  -5.688
   82   1HB   ARG  10          2HB       ARG  10  -2.247  -5.711  -5.711
   83   2HB   ARG  10          1HB       ARG  10  -2.425  -4.046  -4.046
   84   1HG   ARG  10          2HG       ARG  10  -2.703  -3.270  -3.270
   85   2HG   ARG  10          1HG       ARG  10  -3.913  -4.499  -4.499
   86   1HD   ARG  10          2HD       ARG  10  -1.711  -6.060  -6.060
   87   2HD   ARG  10          1HD       ARG  10  -0.979  -4.517  -4.517
   88    HE   ARG  10           HE       ARG  10  -3.489  -5.071  -5.071
   89   1HH1  ARG  10          1HH2      ARG  10  -0.030  -5.591  -5.591
   90   2HH1  ARG  10          2HH2      ARG  10   0.022  -5.859  -5.859
   91   1HH2  ARG  10          1HH1      ARG  10  -3.375  -5.423  -5.423
   92   2HH2  ARG  10          2HH1      ARG  10  -1.850  -5.764  -5.764
   93    H    THR  11           H        THR  11  -6.240  -4.038  -4.038
   94    HA   THR  11           HA       THR  11  -6.657  -1.931  -1.931
   95    HB   THR  11           HB       THR  11  -8.168  -2.389  -2.389
   96    HG1  THR  11          1HG       THR  11  -9.017  -4.129  -4.129
   97   1HG2  THR  11          1HG2      THR  11  -8.944  -1.317  -1.317
   98   2HG2  THR  11          3HG2      THR  11 -10.054  -1.523  -1.523
   99   3HG2  THR  11          2HG2      THR  11  -8.726  -0.368  -0.368
  100    H    PHE  12           H        PHE  12  -5.857   0.147   0.147
  101    HA   PHE  12           HA       PHE  12  -4.482   0.611   0.611
  102   1HB   PHE  12          2HB       PHE  12  -4.329   1.906   1.906
  103   2HB   PHE  12          1HB       PHE  12  -3.320   2.358   2.358
  104    HD1  PHE  12          1HD       PHE  12  -4.167  -0.399  -0.399
  105    HD2  PHE  12          2HD       PHE  12  -1.506   0.977   0.977
  106    HE1  PHE  12          1HE       PHE  12  -2.618  -2.257  -2.257
  107    HE2  PHE  12          2HE       PHE  12   0.031  -0.892  -0.892
  108   1HZ   PHE  12           HZ       PHE  12  -0.517  -2.511  -2.511
  109    H    ARG  13           H        ARG  13  -4.396   3.122   3.122
  110    HA   ARG  13           HA       ARG  13  -7.221   4.077   4.077
  111   1HB   ARG  13          2HB       ARG  13  -5.824   3.697   3.697
  112   2HB   ARG  13          1HB       ARG  13  -4.688   4.910   4.910
  113   1HG   ARG  13          2HG       ARG  13  -6.370   6.639   6.639
  114   2HG   ARG  13          1HG       ARG  13  -7.629   5.458   5.458
  115   1HD   ARG  13          2HD       ARG  13  -5.222   5.670   5.670
  116   2HD   ARG  13          1HD       ARG  13  -6.577   6.801   6.801
  117    HE   ARG  13           HE       ARG  13  -6.638   3.984   3.984
  118   1HH1  ARG  13          1HH2      ARG  13  -8.565   6.610   6.610
  119   2HH1  ARG  13          2HH2      ARG  13 -10.054   5.904   5.904
  120   1HH2  ARG  13          1HH1      ARG  13  -8.591   3.104   3.104
  121   2HH2  ARG  13          2HH1      ARG  13 -10.071   3.942   3.942
  122    H    ASN  14           H        ASN  14  -3.976   4.943   4.943
  123    HA   ASN  14           HA       ASN  14  -5.125   7.133   7.133
  124   1HB   ASN  14          2HB       ASN  14  -3.369   8.666   8.666
  125   2HB   ASN  14          1HB       ASN  14  -4.381   8.096   8.096
  126   1HD2  ASN  14          2HD2      ASN  14  -1.694   6.559   6.559
  127   2HD2  ASN  14          1HD2      ASN  14  -3.328   7.018   7.018
  128    H    GLU  15           H        GLU  15  -3.542   7.823   7.823
  129    HA   GLU  15           HA       GLU  15  -2.353   5.623   5.623
  130   1HB   GLU  15          2HB       GLU  15  -3.155   7.873   7.873
  131   2HB   GLU  15          1HB       GLU  15  -1.636   8.546   8.546
  132   1HG   GLU  15          2HG       GLU  15  -0.389   6.926   6.926
  133   2HG   GLU  15          1HG       GLU  15  -1.922   6.313   6.313
  134    H    LYS  16           H        LYS  16  -0.920   8.088   8.088
  135    HA   LYS  16           HA       LYS  16   1.819   7.597   7.597
  136   1HB   LYS  16          2HB       LYS  16   0.364   9.172   9.172
  137   2HB   LYS  16          1HB       LYS  16   0.714   7.915   7.915
  138   1HG   LYS  16          2HG       LYS  16   3.183   8.193   8.193
  139   2HG   LYS  16          1HG       LYS  16   2.589   9.797   9.797
  140   1HD   LYS  16          2HD       LYS  16   1.653   9.690   9.690
  141   2HD   LYS  16          1HD       LYS  16   3.030   8.603   8.603
  142   1HE   LYS  16          2HE       LYS  16   4.586  10.279  10.279
  143   2HE   LYS  16          1HE       LYS  16   3.433  11.228  11.228
  144   1HZ   LYS  16          1HZ       LYS  16   3.177  10.733  10.733
  145   2HZ   LYS  16          3HZ       LYS  16   3.818  12.153  12.153
  146   3HZ   LYS  16          2HZ       LYS  16   2.195  11.741  11.741
  147    H    GLU  17           H        GLU  17  -0.487   5.841   5.841
  148    HA   GLU  17           HA       GLU  17   1.400   3.961   3.961
  149   1HB   GLU  17          2HB       GLU  17  -1.318   4.581   4.581
  150   2HB   GLU  17          1HB       GLU  17  -1.326   2.960   2.960
  151   1HG   GLU  17          2HG       GLU  17  -0.366   2.004   2.004
  152   2HG   GLU  17          1HG       GLU  17   0.553   3.456   3.456
  153    H    LEU  18           H        LEU  18  -0.526   4.082   4.082
  154    HA   LEU  18           HA       LEU  18  -0.039   1.443   1.443
  155   1HB   LEU  18          2HB       LEU  18  -1.291   3.795   3.795
  156   2HB   LEU  18          1HB       LEU  18   0.043   3.667   3.667
  157    HG   LEU  18           HG       LEU  18  -1.866   2.534   2.534
  158   1HD1  LEU  18          3HD1      LEU  18   0.600   1.310   1.310
  159   2HD1  LEU  18          2HD1      LEU  18  -0.550   0.059   0.059
  160   3HD1  LEU  18          1HD1      LEU  18  -0.645   0.787   0.787
  161   1HD2  LEU  18          3HD2      LEU  18  -2.041   1.368   1.368
  162   2HD2  LEU  18          2HD2      LEU  18  -3.321   2.015   2.015
  163   3HD2  LEU  18          1HD2      LEU  18  -2.645   0.419   0.419
  164    H    ARG  19           H        ARG  19   1.808   4.434   4.434
  165    HA   ARG  19           HA       ARG  19   4.033   3.395   3.395
  166   1HB   ARG  19          2HB       ARG  19   3.326   5.756   5.756
  167   2HB   ARG  19          1HB       ARG  19   3.612   5.891   5.891
  168   1HG   ARG  19          2HG       ARG  19   5.903   5.956   5.956
  169   2HG   ARG  19          1HG       ARG  19   5.884   4.925   4.925
  170   1HD   ARG  19          2HD       ARG  19   4.699   7.697   7.697
  171   2HD   ARG  19          1HD       ARG  19   6.446   7.455   7.455
  172    HE   ARG  19           HE       ARG  19   4.868   5.592   5.592
  173   1HH1  ARG  19          1HH2      ARG  19   6.252   8.803   8.803
  174   2HH1  ARG  19          2HH2      ARG  19   6.309   8.942   8.942
  175   1HH2  ARG  19          1HH1      ARG  19   4.959   5.816   5.816
  176   2HH2  ARG  19          2HH1      ARG  19   5.586   7.270   7.270
  177    H    ASP  20           H        ASP  20   3.182   3.695   3.695
  178    HA   ASP  20           HA       ASP  20   5.913   3.030   3.030
  179   1HB   ASP  20          2HB       ASP  20   3.456   4.129   4.129
  180   2HB   ASP  20          1HB       ASP  20   3.981   2.791   2.791
  181    H    PHE  21           H        PHE  21   3.477   1.205   1.205
  182    HA   PHE  21           HA       PHE  21   3.642  -1.139  -1.139
  183   1HB   PHE  21          2HB       PHE  21   1.587  -0.516  -0.516
  184   2HB   PHE  21          1HB       PHE  21   2.464  -0.679  -0.679
  185    HD1  PHE  21          2HD       PHE  21   1.285  -2.540  -2.540
  186    HD2  PHE  21          1HD       PHE  21   2.850  -2.804  -2.804
  187    HE1  PHE  21          2HE       PHE  21   0.846  -4.974  -4.974
  188    HE2  PHE  21          1HE       PHE  21   2.411  -5.241  -5.241
  189   1HZ   PHE  21           HZ       PHE  21   1.403  -6.331  -6.331
  190    H    ILE  22           H        ILE  22   4.640  -0.237  -0.237
  191    HA   ILE  22           HA       ILE  22   6.085  -2.582  -2.582
  192    HB   ILE  22           HB       ILE  22   6.571   0.301   0.301
  193   1HG1  ILE  22          2HG1      ILE  22   4.289  -0.483  -0.483
  194   2HG1  ILE  22          1HG1      ILE  22   5.219  -0.262  -0.262
  195   1HG2  ILE  22          1HG2      ILE  22   7.752  -2.272  -2.272
  196   2HG2  ILE  22          3HG2      ILE  22   7.405  -1.043  -1.043
  197   3HG2  ILE  22          2HG2      ILE  22   8.493  -0.677  -0.677
  198   1HD1  ILE  22          3HD1      ILE  22   5.792  -2.769  -2.769
  199   2HD1  ILE  22          2HD1      ILE  22   4.492  -2.851  -2.851
  200   3HD1  ILE  22          1HD1      ILE  22   4.143  -2.358  -2.358
  201    H    GLU  23           H        GLU  23   6.975   0.261   0.261
  202    HA   GLU  23           HA       GLU  23   9.775  -0.235  -0.235
  203   1HB   GLU  23          2HB       GLU  23   8.373   1.822   1.822
  204   2HB   GLU  23          1HB       GLU  23   7.944   0.956   0.956
  205   1HG   GLU  23          2HG       GLU  23  10.147   0.979   0.979
  206   2HG   GLU  23          1HG       GLU  23  10.831   1.257   1.257
  207    H    LYS  24           H        LYS  24   6.975  -1.244  -1.244
  208    HA   LYS  24           HA       LYS  24   8.675  -3.030  -3.030
  209   1HB   LYS  24          2HB       LYS  24   5.743  -2.228  -2.228
  210   2HB   LYS  24          1HB       LYS  24   6.516  -3.253  -3.253
  211   1HG   LYS  24          2HG       LYS  24   7.853  -0.662  -0.662
  212   2HG   LYS  24          1HG       LYS  24   6.322  -0.578  -0.578
  213   1HD   LYS  24          2HD       LYS  24   8.505  -2.478  -2.478
  214   2HD   LYS  24          1HD       LYS  24   8.471  -0.806  -0.806
  215   1HE   LYS  24          2HE       LYS  24   5.909  -1.452  -1.452
  216   2HE   LYS  24          1HE       LYS  24   6.642  -3.060  -3.060
  217   1HZ   LYS  24          1HZ       LYS  24   8.336  -2.096  -2.096
  218   2HZ   LYS  24          3HZ       LYS  24   7.602  -0.573  -0.573
  219   3HZ   LYS  24          2HZ       LYS  24   6.785  -1.846  -1.846
  220    H    PHE  25           H        PHE  25   7.748  -3.398  -3.398
  221    HA   PHE  25           HA       PHE  25   6.305  -6.007  -6.007
  222   1HB   PHE  25          2HB       PHE  25   5.300  -4.284  -4.284
  223   2HB   PHE  25          1HB       PHE  25   6.837  -3.945  -3.945
  224    HD1  PHE  25          2HD       PHE  25   5.380  -7.311  -7.311
  225    HD2  PHE  25          1HD       PHE  25   6.316  -4.279  -4.279
  226    HE1  PHE  25          2HE       PHE  25   4.823  -8.894  -8.894
  227    HE2  PHE  25          1HE       PHE  25   5.757  -5.866  -5.866
  228   1HZ   PHE  25           HZ       PHE  25   5.010  -8.171  -8.171
  229    H    LYS  26           H        LYS  26   9.452  -4.990  -4.990
  230    HA   LYS  26           HA       LYS  26  11.486  -6.061  -6.061
  231   1HB   LYS  26          2HB       LYS  26   9.876  -8.061  -8.061
  232   2HB   LYS  26          1HB       LYS  26   9.963  -8.430  -8.430
  233   1HG   LYS  26          2HG       LYS  26  12.406  -8.521  -8.521
  234   2HG   LYS  26          1HG       LYS  26  12.366  -8.066  -8.066
  235   1HD   LYS  26          2HD       LYS  26  10.707 -10.190 -10.190
  236   2HD   LYS  26          1HD       LYS  26  11.721 -10.673 -10.673
  237   1HE   LYS  26          2HE       LYS  26  13.633  -9.804  -9.804
  238   2HE   LYS  26          1HE       LYS  26  12.421 -10.438 -10.438
  239   1HZ   LYS  26          2HZ       LYS  26  12.271 -12.428 -12.428
  240   2HZ   LYS  26          1HZ       LYS  26  13.617 -11.847 -11.847
  241   3HZ   LYS  26          3HZ       LYS  26  13.773 -12.259 -12.259
  242    H    GLY  27           H        GLY  27   9.742  -4.569  -4.569
  243   1HA   GLY  27          2HA       GLY  27  11.059  -5.587  -5.587
  244   2HA   GLY  27          1HA       GLY  27   9.434  -4.899  -4.899
  245    H    ARG  28           H        ARG  28   9.986  -2.767  -2.767
  246    HA   ARG  28           HA       ARG  28  10.674  -0.522  -0.522
  247   1HB   ARG  28          2HB       ARG  28  13.023  -2.174  -2.174
  248   2HB   ARG  28          1HB       ARG  28  13.159  -0.419  -0.419
  249   1HG   ARG  28          2HG       ARG  28  12.465  -0.263  -0.263
  250   2HG   ARG  28          1HG       ARG  28  12.446  -2.025  -2.025
  251   1HD   ARG  28          2HD       ARG  28  14.621  -1.711  -1.711
  252   2HD   ARG  28          1HD       ARG  28  14.933  -1.623  -1.623
  253    HE   ARG  28           HE       ARG  28  14.136   0.961   0.961
  254   1HH1  ARG  28          1HH2      ARG  28  16.711  -1.249  -1.249
  255   2HH1  ARG  28          2HH2      ARG  28  17.816   0.027   0.027
  256   1HH2  ARG  28          1HH1      ARG  28  15.598   2.577   2.577
  257   2HH2  ARG  28          2HH1      ARG  28  17.195   2.170   2.170

  Start of MODEL   29
    1   1H    GLN   1          2HT       GLN   1 -14.248   2.537   2.537
    2   2H    GLN   1          1HT       GLN   1 -15.928   2.598   2.598
    3   3H    GLN   1          3HT       GLN   1 -15.101   3.979   3.979
    4    HA   GLN   1           HA       GLN   1 -15.617   4.178   4.178
    5   1HB   GLN   1          2HB       GLN   1 -14.512   1.425   1.425
    6   2HB   GLN   1          1HB       GLN   1 -14.094   2.321   2.321
    7   1HG   GLN   1          2HG       GLN   1 -16.518   2.827   2.827
    8   2HG   GLN   1          1HG       GLN   1 -16.890   1.812   1.812
    9   1HE2  GLN   1          2HE2      GLN   1 -16.645   0.003   0.003
   10   2HE2  GLN   1          1HE2      GLN   1 -17.055   1.631   1.631
   11    H    GLN   2           H        GLN   2 -12.447   2.628   2.628
   12    HA   GLN   2           HA       GLN   2 -11.163   5.282   5.282
   13   1HB   GLN   2          2HB       GLN   2  -9.269   3.702   3.702
   14   2HB   GLN   2          1HB       GLN   2 -10.661   4.101   4.101
   15   1HG   GLN   2          2HG       GLN   2 -11.702   1.977   1.977
   16   2HG   GLN   2          1HG       GLN   2 -10.510   1.594   1.594
   17   1HE2  GLN   2          2HE2      GLN   2  -8.393   0.068   0.068
   18   2HE2  GLN   2          1HE2      GLN   2  -8.961   0.150   0.150
   19    H    TYR   3           H        TYR   3  -9.115   2.538   2.538
   20    HA   TYR   3           HA       TYR   3  -8.786   3.615   3.615
   21   1HB   TYR   3          2HB       TYR   3  -6.912   2.767   2.767
   22   2HB   TYR   3          1HB       TYR   3  -6.425   2.481   2.481
   23    HD1  TYR   3          1HD       TYR   3  -8.103   5.192   5.192
   24    HD2  TYR   3          2HD       TYR   3  -5.174   4.167   4.167
   25    HE1  TYR   3          1HE       TYR   3  -7.528   7.589   7.589
   26    HE2  TYR   3          2HE       TYR   3  -4.596   6.551   6.551
   27    HH   TYR   3           HH       TYR   3  -6.499   9.044   9.044
   28    H    THR   4           H        THR   4  -9.513   2.186   2.186
   29    HA   THR   4           HA       THR   4  -9.972  -0.625  -0.625
   30    HB   THR   4           HB       THR   4  -9.896   0.772   0.772
   31    HG1  THR   4          1HG       THR   4 -11.546   1.879   1.879
   32   1HG2  THR   4          1HG2      THR   4 -11.344  -1.634  -1.634
   33   2HG2  THR   4          3HG2      THR   4 -11.817  -0.858  -0.858
   34   3HG2  THR   4          2HG2      THR   4 -10.217  -1.584  -1.584
   35    H    ALA   5           H        ALA   5  -7.160   1.079   1.079
   36    HA   ALA   5           HA       ALA   5  -5.788  -0.495  -0.495
   37   1HB   ALA   5          3HB       ALA   5  -5.266   1.641   1.641
   38   2HB   ALA   5          2HB       ALA   5  -4.197   0.396   0.396
   39   3HB   ALA   5          1HB       ALA   5  -4.075   0.873   0.873
   40    H    LYS   6           H        LYS   6  -6.252  -2.748  -2.748
   41    HA   LYS   6           HA       LYS   6  -5.451  -3.987  -3.987
   42   1HB   LYS   6          2HB       LYS   6  -7.505  -4.379  -4.379
   43   2HB   LYS   6          1HB       LYS   6  -6.393  -5.686  -5.686
   44   1HG   LYS   6          2HG       LYS   6  -6.667  -6.737  -6.737
   45   2HG   LYS   6          1HG       LYS   6  -6.912  -5.224  -5.224
   46   1HD   LYS   6          2HD       LYS   6  -9.170  -5.172  -5.172
   47   2HD   LYS   6          1HD       LYS   6  -8.992  -5.988  -5.988
   48   1HE   LYS   6          2HE       LYS   6  -8.306  -7.579  -7.579
   49   2HE   LYS   6          1HE       LYS   6 -10.024  -7.257  -7.257
   50   1HZ   LYS   6          1HZ       LYS   6  -9.603  -7.937  -7.937
   51   2HZ   LYS   6          3HZ       LYS   6  -8.060  -8.460  -8.460
   52   3HZ   LYS   6          2HZ       LYS   6  -9.444  -9.200  -9.200
   53    H    ILE   7           H        ILE   7  -3.148  -3.179  -3.179
   54    HA   ILE   7           HA       ILE   7  -1.723  -4.347  -4.347
   55    HB   ILE   7           HB       ILE   7  -0.787  -2.579  -2.579
   56   1HG1  ILE   7          2HG1      ILE   7   0.910  -4.904  -4.904
   57   2HG1  ILE   7          1HG1      ILE   7   0.816  -4.396  -4.396
   58   1HG2  ILE   7          1HG2      ILE   7  -1.744  -4.025  -4.025
   59   2HG2  ILE   7          3HG2      ILE   7  -0.057  -3.565  -3.565
   60   3HG2  ILE   7          2HG2      ILE   7  -1.266  -2.333  -2.333
   61   1HD1  ILE   7          3HD1      ILE   7   1.432  -2.428  -2.428
   62   2HD1  ILE   7          2HD1      ILE   7   2.705  -3.383  -3.383
   63   3HD1  ILE   7          1HD1      ILE   7   1.738  -2.269  -2.269
   64    H    LYS   8           H        LYS   8  -0.599  -5.606  -5.606
   65    HA   LYS   8           HA       LYS   8  -0.225  -8.236  -8.236
   66   1HB   LYS   8          2HB       LYS   8   0.301  -6.715  -6.715
   67   2HB   LYS   8          1HB       LYS   8  -0.401  -8.255  -8.255
   68   1HG   LYS   8          2HG       LYS   8   1.734  -8.281  -8.281
   69   2HG   LYS   8          1HG       LYS   8   2.219  -8.001  -8.001
   70   1HD   LYS   8          2HD       LYS   8   0.960 -10.059 -10.059
   71   2HD   LYS   8          1HD       LYS   8   0.631 -10.363 -10.363
   72   1HE   LYS   8          2HE       LYS   8   2.573 -11.601 -11.601
   73   2HE   LYS   8          1HE       LYS   8   3.327 -10.019 -10.019
   74   1HZ   LYS   8          2HZ       LYS   8   3.199  -9.663  -9.663
   75   2HZ   LYS   8          1HZ       LYS   8   2.725 -11.285 -11.285
   76   3HZ   LYS   8          3HZ       LYS   8   4.256 -10.913 -10.913
   77    H    GLY   9           H        GLY   9  -2.910  -6.630  -6.630
   78   1HA   GLY   9          2HA       GLY   9  -5.083  -7.940  -7.940
   79   2HA   GLY   9          1HA       GLY   9  -4.373  -9.197  -9.197
   80    H    ARG  10           H        ARG  10  -4.438  -5.654  -5.654
   81    HA   ARG  10           HA       ARG  10  -6.227  -5.968  -5.968
   82   1HB   ARG  10          2HB       ARG  10  -4.473  -4.501  -4.501
   83   2HB   ARG  10          1HB       ARG  10  -4.218  -6.240  -6.240
   84   1HG   ARG  10          2HG       ARG  10  -2.920  -5.225  -5.225
   85   2HG   ARG  10          1HG       ARG  10  -2.578  -4.042  -4.042
   86   1HD   ARG  10          2HD       ARG  10  -0.862  -5.839  -5.839
   87   2HD   ARG  10          1HD       ARG  10  -1.761  -5.845  -5.845
   88    HE   ARG  10           HE       ARG  10  -3.244  -7.526  -7.526
   89   1HH1  ARG  10          1HH2      ARG  10   0.123  -7.405  -7.405
   90   2HH1  ARG  10          2HH2      ARG  10   0.322  -9.117  -9.117
   91   1HH2  ARG  10          1HH1      ARG  10  -2.944  -9.732  -9.732
   92   2HH2  ARG  10          2HH1      ARG  10  -1.394 -10.423 -10.423
   93    H    THR  11           H        THR  11  -7.414  -4.138  -4.138
   94    HA   THR  11           HA       THR  11  -7.315  -1.921  -1.921
   95    HB   THR  11           HB       THR  11  -9.453  -2.844  -2.844
   96    HG1  THR  11          1HG       THR  11 -10.370  -0.918  -0.918
   97   1HG2  THR  11          1HG2      THR  11  -8.097  -2.839  -2.839
   98   2HG2  THR  11          3HG2      THR  11  -9.498  -1.780  -1.780
   99   3HG2  THR  11          2HG2      THR  11  -9.709  -3.452  -3.452
  100    H    PHE  12           H        PHE  12  -6.403   0.126   0.126
  101    HA   PHE  12           HA       PHE  12  -4.873   0.272   0.272
  102   1HB   PHE  12          2HB       PHE  12  -4.703   1.554   1.554
  103   2HB   PHE  12          1HB       PHE  12  -3.747   2.146   2.146
  104    HD1  PHE  12          1HD       PHE  12  -4.661  -1.160  -1.160
  105    HD2  PHE  12          2HD       PHE  12  -1.631   1.256   1.256
  106    HE1  PHE  12          1HE       PHE  12  -3.016  -2.950  -2.950
  107    HE2  PHE  12          2HE       PHE  12   0.019  -0.560  -0.560
  108   1HZ   PHE  12           HZ       PHE  12  -0.675  -2.661  -2.661
  109    H    ARG  13           H        ARG  13  -4.516   2.834   2.834
  110    HA   ARG  13           HA       ARG  13  -7.263   3.958   3.958
  111   1HB   ARG  13          2HB       ARG  13  -5.641   3.258   3.258
  112   2HB   ARG  13          1HB       ARG  13  -4.731   4.703   4.703
  113   1HG   ARG  13          2HG       ARG  13  -7.539   5.364   5.364
  114   2HG   ARG  13          1HG       ARG  13  -7.030   4.542   4.542
  115   1HD   ARG  13          2HD       ARG  13  -4.928   6.220   6.220
  116   2HD   ARG  13          1HD       ARG  13  -6.200   7.197   7.197
  117    HE   ARG  13           HE       ARG  13  -7.227   7.400   7.400
  118   1HH1  ARG  13          1HH2      ARG  13  -4.981   4.720   4.720
  119   2HH1  ARG  13          2HH2      ARG  13  -5.187   4.428   4.428
  120   1HH2  ARG  13          1HH1      ARG  13  -7.465   6.986   6.986
  121   2HH2  ARG  13          2HH1      ARG  13  -6.580   5.695   5.695
  122    H    ASN  14           H        ASN  14  -3.959   4.698   4.698
  123    HA   ASN  14           HA       ASN  14  -5.002   7.060   7.060
  124   1HB   ASN  14          2HB       ASN  14  -3.300   8.505   8.505
  125   2HB   ASN  14          1HB       ASN  14  -4.222   7.754   7.754
  126   1HD2  ASN  14          1HD2      ASN  14  -3.095   6.314   6.314
  127   2HD2  ASN  14          2HD2      ASN  14  -1.429   6.015   6.015
  128    H    GLU  15           H        GLU  15  -3.567   7.724   7.724
  129    HA   GLU  15           HA       GLU  15  -2.328   5.613   5.613
  130   1HB   GLU  15          2HB       GLU  15  -3.233   7.928   7.928
  131   2HB   GLU  15          1HB       GLU  15  -1.630   8.529   8.529
  132   1HG   GLU  15          2HG       GLU  15  -0.629   6.842   6.842
  133   2HG   GLU  15          1HG       GLU  15  -2.258   6.378   6.378
  134    H    LYS  16           H        LYS  16  -0.925   8.075   8.075
  135    HA   LYS  16           HA       LYS  16   1.817   7.705   7.705
  136   1HB   LYS  16          2HB       LYS  16   0.319   9.162   9.162
  137   2HB   LYS  16          1HB       LYS  16   0.860   7.925   7.925
  138   1HG   LYS  16          2HG       LYS  16   3.222   8.408   8.408
  139   2HG   LYS  16          1HG       LYS  16   2.478   9.948   9.948
  140   1HD   LYS  16          2HD       LYS  16   3.296  10.487  10.487
  141   2HD   LYS  16          1HD       LYS  16   1.697   9.892   9.892
  142   1HE   LYS  16          2HE       LYS  16   3.090   8.688   8.688
  143   2HE   LYS  16          1HE       LYS  16   2.929   7.550   7.550
  144   1HZ   LYS  16          3HZ       LYS  16   5.062   9.607   9.607
  145   2HZ   LYS  16          2HZ       LYS  16   5.273   7.997   7.997
  146   3HZ   LYS  16          1HZ       LYS  16   4.943   8.348   8.348
  147    H    GLU  17           H        GLU  17  -0.334   5.826   5.826
  148    HA   GLU  17           HA       GLU  17   1.663   4.022   4.022
  149   1HB   GLU  17          2HB       GLU  17  -0.898   4.530   4.530
  150   2HB   GLU  17          1HB       GLU  17  -1.174   3.169   3.169
  151   1HG   GLU  17          2HG       GLU  17   0.303   1.753   1.753
  152   2HG   GLU  17          1HG       GLU  17   0.679   3.114   3.114
  153    H    LEU  18           H        LEU  18  -0.432   3.971   3.971
  154    HA   LEU  18           HA       LEU  18   0.183   1.366   1.366
  155   1HB   LEU  18          2HB       LEU  18  -0.999   3.841   3.841
  156   2HB   LEU  18          1HB       LEU  18   0.089   3.262   3.262
  157    HG   LEU  18           HG       LEU  18  -2.066   2.328   2.328
  158   1HD1  LEU  18          1HD1      LEU  18   0.046   0.776   0.776
  159   2HD1  LEU  18          3HD1      LEU  18  -0.741   0.025   0.025
  160   3HD1  LEU  18          2HD1      LEU  18  -1.551   0.050   0.050
  161   1HD2  LEU  18          3HD2      LEU  18  -2.078   1.949   1.949
  162   2HD2  LEU  18          2HD2      LEU  18  -3.387   2.431   2.431
  163   3HD2  LEU  18          1HD2      LEU  18  -2.922   0.733   0.733
  164    H    ARG  19           H        ARG  19   1.866   4.443   4.443
  165    HA   ARG  19           HA       ARG  19   4.069   3.523   3.523
  166   1HB   ARG  19          2HB       ARG  19   3.278   5.948   5.948
  167   2HB   ARG  19          1HB       ARG  19   4.975   5.770   5.770
  168   1HG   ARG  19          2HG       ARG  19   2.869   5.321   5.321
  169   2HG   ARG  19          1HG       ARG  19   3.300   6.974   6.974
  170   1HD   ARG  19          2HD       ARG  19   4.937   6.683   6.683
  171   2HD   ARG  19          1HD       ARG  19   5.784   5.843   5.843
  172    HE   ARG  19           HE       ARG  19   3.885   4.142   4.142
  173   1HH1  ARG  19          1HH2      ARG  19   7.169   5.346   5.346
  174   2HH1  ARG  19          2HH2      ARG  19   7.794   4.002   4.002
  175   1HH2  ARG  19          1HH1      ARG  19   4.738   2.426   2.426
  176   2HH2  ARG  19          2HH1      ARG  19   6.436   2.366   2.366
  177    H    ASP  20           H        ASP  20   3.396   3.736   3.736
  178    HA   ASP  20           HA       ASP  20   6.184   3.025   3.025
  179   1HB   ASP  20          2HB       ASP  20   3.627   3.622   3.622
  180   2HB   ASP  20          1HB       ASP  20   5.092   3.089   3.089
  181    H    PHE  21           H        PHE  21   3.796   1.223   1.223
  182    HA   PHE  21           HA       PHE  21   3.873  -1.066  -1.066
  183   1HB   PHE  21          2HB       PHE  21   1.823  -0.364  -0.364
  184   2HB   PHE  21          1HB       PHE  21   2.663  -0.689  -0.689
  185    HD1  PHE  21          2HD       PHE  21   1.184  -2.197  -2.197
  186    HD2  PHE  21          1HD       PHE  21   3.160  -2.952  -2.952
  187    HE1  PHE  21          2HE       PHE  21   0.631  -4.597  -4.597
  188    HE2  PHE  21          1HE       PHE  21   2.598  -5.362  -5.362
  189   1HZ   PHE  21           HZ       PHE  21   1.333  -6.186  -6.186
  190    H    ILE  22           H        ILE  22   4.720  -0.390  -0.390
  191    HA   ILE  22           HA       ILE  22   6.165  -2.804  -2.804
  192    HB   ILE  22           HB       ILE  22   6.435  -0.090  -0.090
  193   1HG1  ILE  22          2HG1      ILE  22   4.784  -2.507  -2.507
  194   2HG1  ILE  22          1HG1      ILE  22   4.138  -1.051  -1.051
  195   1HG2  ILE  22          3HG2      ILE  22   7.877  -2.566  -2.566
  196   2HG2  ILE  22          2HG2      ILE  22   6.956  -2.147  -2.147
  197   3HG2  ILE  22          1HG2      ILE  22   8.117  -1.001  -1.001
  198   1HD1  ILE  22          1HD1      ILE  22   5.657  -1.049  -1.049
  199   2HD1  ILE  22          3HD1      ILE  22   3.899  -1.113  -1.113
  200   3HD1  ILE  22          2HD1      ILE  22   4.770   0.295   0.295
  201    H    GLU  23           H        GLU  23   7.042   0.264   0.264
  202    HA   GLU  23           HA       GLU  23   9.890  -0.048  -0.048
  203   1HB   GLU  23          2HB       GLU  23   8.458   2.010   2.010
  204   2HB   GLU  23          1HB       GLU  23   8.186   1.302   1.302
  205   1HG   GLU  23          2HG       GLU  23  10.049   2.791   2.791
  206   2HG   GLU  23          1HG       GLU  23  10.718   1.159   1.159
  207    H    LYS  24           H        LYS  24   7.311  -1.075  -1.075
  208    HA   LYS  24           HA       LYS  24   9.242  -2.519  -2.519
  209   1HB   LYS  24          2HB       LYS  24   6.307  -1.769  -1.769
  210   2HB   LYS  24          1HB       LYS  24   7.083  -2.797  -2.797
  211   1HG   LYS  24          2HG       LYS  24   8.127  -0.056  -0.056
  212   2HG   LYS  24          1HG       LYS  24   7.008  -0.326  -0.326
  213   1HD   LYS  24          2HD       LYS  24   9.339  -2.133  -2.133
  214   2HD   LYS  24          1HD       LYS  24   9.754  -0.431  -0.431
  215   1HE   LYS  24          2HE       LYS  24   8.569  -0.227  -0.227
  216   2HE   LYS  24          1HE       LYS  24   7.496  -1.589  -1.589
  217   1HZ   LYS  24          3HZ       LYS  24  10.424  -1.901  -1.901
  218   2HZ   LYS  24          2HZ       LYS  24   9.325  -2.083  -2.083
  219   3HZ   LYS  24          1HZ       LYS  24   9.248  -3.122  -3.122
  220    H    PHE  25           H        PHE  25   8.013  -3.241  -3.241
  221    HA   PHE  25           HA       PHE  25   6.769  -5.871  -5.871
  222   1HB   PHE  25          2HB       PHE  25   5.726  -4.314  -4.314
  223   2HB   PHE  25          1HB       PHE  25   7.230  -4.159  -4.159
  224    HD1  PHE  25          1HD       PHE  25   5.957  -7.419  -7.419
  225    HD2  PHE  25          2HD       PHE  25   6.345  -4.734  -4.734
  226    HE1  PHE  25          1HE       PHE  25   5.250  -9.236  -9.236
  227    HE2  PHE  25          2HE       PHE  25   5.647  -6.560  -6.560
  228   1HZ   PHE  25           HZ       PHE  25   5.099  -8.807  -8.807
  229    H    LYS  26           H        LYS  26   9.893  -4.762  -4.762
  230    HA   LYS  26           HA       LYS  26  11.944  -5.817  -5.817
  231   1HB   LYS  26          2HB       LYS  26  10.310  -7.697  -7.697
  232   2HB   LYS  26          1HB       LYS  26  10.668  -8.466  -8.466
  233   1HG   LYS  26          2HG       LYS  26  13.032  -8.364  -8.364
  234   2HG   LYS  26          1HG       LYS  26  12.816  -7.307  -7.307
  235   1HD   LYS  26          2HD       LYS  26  12.021  -9.032  -9.032
  236   2HD   LYS  26          1HD       LYS  26  11.493 -10.002 -10.002
  237   1HE   LYS  26          2HE       LYS  26  13.822 -10.501 -10.501
  238   2HE   LYS  26          1HE       LYS  26  14.394  -9.465  -9.465
  239   1HZ   LYS  26          1HZ       LYS  26  12.571 -11.788 -11.788
  240   2HZ   LYS  26          3HZ       LYS  26  14.238 -11.825 -11.825
  241   3HZ   LYS  26          2HZ       LYS  26  13.224 -10.827 -10.827
  242    H    GLY  27           H        GLY  27  10.118  -4.791  -4.791
  243   1HA   GLY  27          2HA       GLY  27  11.269  -6.279  -6.279
  244   2HA   GLY  27          1HA       GLY  27   9.555  -5.868  -5.868
  245    H    ARG  28           H        ARG  28   9.651  -3.306  -3.306
  246    HA   ARG  28           HA       ARG  28   9.920  -1.059  -1.059
  247   1HB   ARG  28          2HB       ARG  28  12.344  -2.135  -2.135
  248   2HB   ARG  28          1HB       ARG  28  12.589  -1.696  -1.696
  249   1HG   ARG  28          2HG       ARG  28  11.582   0.603   0.603
  250   2HG   ARG  28          1HG       ARG  28  11.939   0.097   0.097
  251   1HD   ARG  28          2HD       ARG  28  14.300  -0.169  -0.169
  252   2HD   ARG  28          1HD       ARG  28  13.991   0.149   0.149
  253    HE   ARG  28           HE       ARG  28  12.900   2.356   2.356
  254   1HH1  ARG  28          1HH2      ARG  28  16.032   0.804   0.804
  255   2HH1  ARG  28          2HH2      ARG  28  16.858   2.283   2.283
  256   1HH2  ARG  28          1HH1      ARG  28  14.011   4.245   4.245
  257   2HH2  ARG  28          2HH1      ARG  28  15.729   4.210   4.210

  Start of MODEL   30
    1   1H    GLN   1          2HT       GLN   1 -10.247   9.694   9.694
    2   2H    GLN   1          1HT       GLN   1  -8.881  10.528  10.528
    3   3H    GLN   1          3HT       GLN   1  -8.722   9.399   9.399
    4    HA   GLN   1           HA       GLN   1  -7.930   8.431   8.431
    5   1HB   GLN   1          2HB       GLN   1 -10.415   9.785   9.785
    6   2HB   GLN   1          1HB       GLN   1 -10.214   8.183   8.183
    7   1HG   GLN   1          2HG       GLN   1  -9.097   9.581   9.581
    8   2HG   GLN   1          1HG       GLN   1  -7.786   8.968   8.968
    9   1HE2  GLN   1          2HE2      GLN   1  -8.606  12.932  12.932
   10   2HE2  GLN   1          1HE2      GLN   1  -9.449  11.843  11.843
   11    H    GLN   2           H        GLN   2  -9.103   6.290   6.290
   12    HA   GLN   2           HA       GLN   2  -9.956   4.168   4.168
   13   1HB   GLN   2          2HB       GLN   2 -11.981   5.772   5.772
   14   2HB   GLN   2          1HB       GLN   2 -11.695   5.479   5.479
   15   1HG   GLN   2          2HG       GLN   2 -11.762   3.078   3.078
   16   2HG   GLN   2          1HG       GLN   2 -13.299   3.906   3.906
   17   1HE2  GLN   2          2HE2      GLN   2 -11.505   1.966   1.966
   18   2HE2  GLN   2          1HE2      GLN   2 -10.645   2.231   2.231
   19    H    TYR   3           H        TYR   3  -8.159   3.257   3.257
   20    HA   TYR   3           HA       TYR   3  -7.716   3.590   3.590
   21   1HB   TYR   3          2HB       TYR   3  -6.014   2.580   2.580
   22   2HB   TYR   3          1HB       TYR   3  -5.469   2.635   2.635
   23    HD1  TYR   3          1HD       TYR   3  -6.884   4.729   4.729
   24    HD2  TYR   3          2HD       TYR   3  -4.619   4.640   4.640
   25    HE1  TYR   3          1HE       TYR   3  -6.428   7.140   7.140
   26    HE2  TYR   3          2HE       TYR   3  -4.139   7.063   7.063
   27    HH   TYR   3           HH       TYR   3  -5.407   9.072   9.072
   28    H    THR   4           H        THR   4  -8.635   2.044   2.044
   29    HA   THR   4           HA       THR   4  -9.378  -0.579  -0.579
   30    HB   THR   4           HB       THR   4  -9.384   0.440   0.440
   31    HG1  THR   4          1HG       THR   4 -10.808   1.811   1.811
   32   1HG2  THR   4          1HG2      THR   4 -10.800  -1.743  -1.743
   33   2HG2  THR   4          3HG2      THR   4 -11.533  -1.033  -1.033
   34   3HG2  THR   4          2HG2      THR   4  -9.964  -1.830  -1.830
   35    H    ALA   5           H        ALA   5  -6.483   0.663   0.663
   36    HA   ALA   5           HA       ALA   5  -5.486  -1.368  -1.368
   37   1HB   ALA   5          2HB       ALA   5  -4.614   1.003   1.003
   38   2HB   ALA   5          1HB       ALA   5  -3.652  -0.101  -0.101
   39   3HB   ALA   5          3HB       ALA   5  -3.539  -0.162  -0.162
   40    H    LYS   6           H        LYS   6  -6.210  -3.415  -3.415
   41    HA   LYS   6           HA       LYS   6  -5.284  -4.206  -4.206
   42   1HB   LYS   6          2HB       LYS   6  -6.826  -5.436  -5.436
   43   2HB   LYS   6          1HB       LYS   6  -6.301  -6.432  -6.432
   44   1HG   LYS   6          2HG       LYS   6  -7.616  -3.863  -3.863
   45   2HG   LYS   6          1HG       LYS   6  -8.653  -5.092  -5.092
   46   1HD   LYS   6          2HD       LYS   6  -7.306  -6.634  -6.634
   47   2HD   LYS   6          1HD       LYS   6  -7.261  -5.096  -5.096
   48   1HE   LYS   6          2HE       LYS   6  -9.498  -5.156  -5.156
   49   2HE   LYS   6          1HE       LYS   6  -9.899  -5.752  -5.752
   50   1HZ   LYS   6          3HZ       LYS   6  -8.872  -7.904  -7.904
   51   2HZ   LYS   6          2HZ       LYS   6  -8.791  -7.315  -7.315
   52   3HZ   LYS   6          1HZ       LYS   6 -10.299  -7.526  -7.526
   53    H    ILE   7           H        ILE   7  -2.972  -3.605  -3.605
   54    HA   ILE   7           HA       ILE   7  -1.615  -5.242  -5.242
   55    HB   ILE   7           HB       ILE   7  -0.641  -3.245  -3.245
   56   1HG1  ILE   7          2HG1      ILE   7   1.035  -5.425  -5.425
   57   2HG1  ILE   7          1HG1      ILE   7   0.976  -5.091  -5.091
   58   1HG2  ILE   7          2HG2      ILE   7  -1.574  -4.104  -4.104
   59   2HG2  ILE   7          1HG2      ILE   7   0.140  -3.704  -3.704
   60   3HG2  ILE   7          3HG2      ILE   7  -1.007  -2.509  -2.509
   61   1HD1  ILE   7          3HD1      ILE   7   1.564  -2.891  -2.891
   62   2HD1  ILE   7          2HD1      ILE   7   2.847  -3.971  -3.971
   63   3HD1  ILE   7          1HD1      ILE   7   1.965  -2.983  -2.983
   64    H    LYS   8           H        LYS   8  -0.409  -5.792  -5.792
   65    HA   LYS   8           HA       LYS   8  -0.038  -8.569  -8.569
   66   1HB   LYS   8          2HB       LYS   8   0.801  -6.701  -6.701
   67   2HB   LYS   8          1HB       LYS   8  -0.400  -7.525  -7.525
   68   1HG   LYS   8          2HG       LYS   8   1.654  -9.088  -9.088
   69   2HG   LYS   8          1HG       LYS   8   2.035  -8.427  -8.427
   70   1HD   LYS   8          2HD       LYS   8  -0.102  -9.567  -9.567
   71   2HD   LYS   8          1HD       LYS   8  -0.112 -10.434 -10.434
   72   1HE   LYS   8          2HE       LYS   8   2.504 -10.461 -10.461
   73   2HE   LYS   8          1HE       LYS   8   1.207 -11.325 -11.325
   74   1HZ   LYS   8          1HZ       LYS   8   1.715 -11.618 -11.618
   75   2HZ   LYS   8          3HZ       LYS   8   2.394 -12.654 -12.654
   76   3HZ   LYS   8          2HZ       LYS   8   0.706 -12.573 -12.573
   77    H    GLY   9           H        GLY   9  -2.812  -6.726  -6.726
   78   1HA   GLY   9          2HA       GLY   9  -4.980  -8.042  -8.042
   79   2HA   GLY   9          1HA       GLY   9  -4.246  -9.211  -9.211
   80    H    ARG  10           H        ARG  10  -4.217  -5.649  -5.649
   81    HA   ARG  10           HA       ARG  10  -5.800  -5.698  -5.698
   82   1HB   ARG  10          2HB       ARG  10  -3.868  -3.905  -3.905
   83   2HB   ARG  10          1HB       ARG  10  -3.800  -5.606  -5.606
   84   1HG   ARG  10          2HG       ARG  10  -2.431  -6.020  -6.020
   85   2HG   ARG  10          1HG       ARG  10  -2.409  -4.279  -4.279
   86   1HD   ARG  10          2HD       ARG  10  -0.463  -4.437  -4.437
   87   2HD   ARG  10          1HD       ARG  10  -1.599  -4.339  -4.339
   88    HE   ARG  10           HE       ARG  10  -1.379  -7.064  -7.064
   89   1HH1  ARG  10          1HH2      ARG  10   0.334  -4.617  -4.617
   90   2HH1  ARG  10          2HH2      ARG  10   1.188  -5.783  -5.783
   91   1HH2  ARG  10          1HH1      ARG  10  -0.252  -8.533  -8.533
   92   2HH2  ARG  10          2HH1      ARG  10   0.862  -7.976  -7.976
   93    H    THR  11           H        THR  11  -6.974  -3.831  -3.831
   94    HA   THR  11           HA       THR  11  -7.188  -1.898  -1.898
   95    HB   THR  11           HB       THR  11  -8.564  -1.967  -1.967
   96    HG1  THR  11          1HG       THR  11  -9.778  -3.523  -3.523
   97   1HG2  THR  11          3HG2      THR  11  -8.654   0.006   0.006
   98   2HG2  THR  11          2HG2      THR  11  -9.864  -1.053  -1.053
   99   3HG2  THR  11          1HG2      THR  11 -10.076  -0.467  -0.467
  100    H    PHE  12           H        PHE  12  -6.068   0.072   0.072
  101    HA   PHE  12           HA       PHE  12  -4.460   0.617   0.617
  102   1HB   PHE  12          2HB       PHE  12  -4.439   1.586   1.586
  103   2HB   PHE  12          1HB       PHE  12  -3.357   2.231   2.231
  104    HD1  PHE  12          1HD       PHE  12  -4.520  -1.014  -1.014
  105    HD2  PHE  12          2HD       PHE  12  -1.352   1.124   1.124
  106    HE1  PHE  12          1HE       PHE  12  -3.023  -2.950  -2.950
  107    HE2  PHE  12          2HE       PHE  12   0.149  -0.829  -0.829
  108   1HZ   PHE  12           HZ       PHE  12  -0.694  -2.865  -2.865
  109    H    ARG  13           H        ARG  13  -4.856   2.341   2.341
  110    HA   ARG  13           HA       ARG  13  -7.330   3.814   3.814
  111   1HB   ARG  13          2HB       ARG  13  -4.781   4.066   4.066
  112   2HB   ARG  13          1HB       ARG  13  -6.182   5.101   5.101
  113   1HG   ARG  13          2HG       ARG  13  -7.494   3.358   3.358
  114   2HG   ARG  13          1HG       ARG  13  -6.595   2.137   2.137
  115   1HD   ARG  13          2HD       ARG  13  -4.699   3.258   3.258
  116   2HD   ARG  13          1HD       ARG  13  -6.171   3.058   3.058
  117    HE   ARG  13           HE       ARG  13  -6.063   0.698   0.698
  118   1HH1  ARG  13          1HH2      ARG  13  -3.729   2.418   2.418
  119   2HH1  ARG  13          2HH2      ARG  13  -2.913   0.970   0.970
  120   1HH2  ARG  13          1HH1      ARG  13  -4.978  -1.148  -1.148
  121   2HH2  ARG  13          2HH1      ARG  13  -3.611  -1.028  -1.028
  122    H    ASN  14           H        ASN  14  -3.981   5.099   5.099
  123    HA   ASN  14           HA       ASN  14  -4.985   7.314   7.314
  124   1HB   ASN  14          2HB       ASN  14  -3.092   8.579   8.579
  125   2HB   ASN  14          1HB       ASN  14  -4.121   7.927   7.927
  126   1HD2  ASN  14          2HD2      ASN  14  -1.619   5.757   5.757
  127   2HD2  ASN  14          1HD2      ASN  14  -3.263   6.177   6.177
  128    H    GLU  15           H        GLU  15  -3.260   8.150   8.150
  129    HA   GLU  15           HA       GLU  15  -2.282   6.028   6.028
  130   1HB   GLU  15          2HB       GLU  15  -2.977   8.310   8.310
  131   2HB   GLU  15          1HB       GLU  15  -1.575   8.975   8.975
  132   1HG   GLU  15          2HG       GLU  15  -0.084   7.606   7.606
  133   2HG   GLU  15          1HG       GLU  15  -1.498   7.012   7.012
  134    H    LYS  16           H        LYS  16  -0.764   8.160   8.160
  135    HA   LYS  16           HA       LYS  16   1.955   7.681   7.681
  136   1HB   LYS  16          2HB       LYS  16   0.436   8.976   8.976
  137   2HB   LYS  16          1HB       LYS  16   1.000   7.626   7.626
  138   1HG   LYS  16          2HG       LYS  16   3.137   8.398   8.398
  139   2HG   LYS  16          1HG       LYS  16   3.108   8.861   8.861
  140   1HD   LYS  16          2HD       LYS  16   2.016  10.931  10.931
  141   2HD   LYS  16          1HD       LYS  16   1.648  10.433  10.433
  142   1HE   LYS  16          2HE       LYS  16   4.528  10.335  10.335
  143   2HE   LYS  16          1HE       LYS  16   3.829  11.965  11.965
  144   1HZ   LYS  16          1HZ       LYS  16   3.365  10.045  10.045
  145   2HZ   LYS  16          3HZ       LYS  16   4.511  11.292  11.292
  146   3HZ   LYS  16          2HZ       LYS  16   2.858  11.664  11.664
  147    H    GLU  17           H        GLU  17  -0.288   5.671   5.671
  148    HA   GLU  17           HA       GLU  17   1.706   3.678   3.678
  149   1HB   GLU  17          2HB       GLU  17  -1.119   4.214   4.214
  150   2HB   GLU  17          1HB       GLU  17  -0.901   2.525   2.525
  151   1HG   GLU  17          2HG       GLU  17   0.305   2.017   2.017
  152   2HG   GLU  17          1HG       GLU  17   0.968   3.645   3.645
  153    H    LEU  18           H        LEU  18  -0.717   4.013   4.013
  154    HA   LEU  18           HA       LEU  18  -0.278   1.516   1.516
  155   1HB   LEU  18          2HB       LEU  18  -2.173   3.062   3.062
  156   2HB   LEU  18          1HB       LEU  18  -1.066   4.267   4.267
  157    HG   LEU  18           HG       LEU  18  -0.477   2.761   2.761
  158   1HD1  LEU  18          1HD1      LEU  18  -2.434   0.884   0.884
  159   2HD1  LEU  18          3HD1      LEU  18  -1.839   0.660   0.660
  160   3HD1  LEU  18          2HD1      LEU  18  -0.718   0.598   0.598
  161   1HD2  LEU  18          1HD2      LEU  18  -2.587   4.271   4.271
  162   2HD2  LEU  18          3HD2      LEU  18  -2.464   3.047   3.047
  163   3HD2  LEU  18          2HD2      LEU  18  -3.483   2.759   2.759
  164    H    ARG  19           H        ARG  19   1.644   4.402   4.402
  165    HA   ARG  19           HA       ARG  19   3.413   3.596   3.596
  166   1HB   ARG  19          2HB       ARG  19   2.470   5.890   5.890
  167   2HB   ARG  19          1HB       ARG  19   3.194   6.121   6.121
  168   1HG   ARG  19          2HG       ARG  19   5.428   5.484   5.484
  169   2HG   ARG  19          1HG       ARG  19   4.548   5.898   5.898
  170   1HD   ARG  19          2HD       ARG  19   4.019   8.133   8.133
  171   2HD   ARG  19          1HD       ARG  19   4.990   7.717   7.717
  172    HE   ARG  19           HE       ARG  19   6.704   7.161   7.161
  173   1HH1  ARG  19          1HH2      ARG  19   4.796   9.970   9.970
  174   2HH1  ARG  19          2HH2      ARG  19   5.913  11.070  11.070
  175   1HH2  ARG  19          1HH1      ARG  19   8.118   8.617   8.617
  176   2HH2  ARG  19          2HH1      ARG  19   7.773  10.313  10.313
  177    H    ASP  20           H        ASP  20   3.215   3.710   3.710
  178    HA   ASP  20           HA       ASP  20   6.169   3.446   3.446
  179   1HB   ASP  20          2HB       ASP  20   3.817   4.095   4.095
  180   2HB   ASP  20          1HB       ASP  20   5.294   3.498   3.498
  181    H    PHE  21           H        PHE  21   3.280   1.484   1.484
  182    HA   PHE  21           HA       PHE  21   4.350  -0.661  -0.661
  183   1HB   PHE  21          2HB       PHE  21   1.971  -0.463  -0.463
  184   2HB   PHE  21          1HB       PHE  21   2.068  -0.354  -0.354
  185    HD1  PHE  21          1HD       PHE  21   3.435  -2.697  -2.697
  186    HD2  PHE  21          2HD       PHE  21   1.243  -2.245  -2.245
  187    HE1  PHE  21          1HE       PHE  21   3.285  -5.157  -5.157
  188    HE2  PHE  21          2HE       PHE  21   1.103  -4.708  -4.708
  189   1HZ   PHE  21           HZ       PHE  21   2.113  -6.170  -6.170
  190    H    ILE  22           H        ILE  22   4.065   0.002   0.002
  191    HA   ILE  22           HA       ILE  22   5.148  -2.412  -2.412
  192    HB   ILE  22           HB       ILE  22   4.234   0.042   0.042
  193   1HG1  ILE  22          2HG1      ILE  22   5.395  -1.895  -1.895
  194   2HG1  ILE  22          1HG1      ILE  22   4.202  -2.517  -2.517
  195   1HG2  ILE  22          3HG2      ILE  22   7.032  -0.456  -0.456
  196   2HG2  ILE  22          2HG2      ILE  22   5.869   0.672   0.672
  197   3HG2  ILE  22          1HG2      ILE  22   6.510   0.955   0.955
  198   1HD1  ILE  22          2HD1      ILE  22   3.713   0.006   0.006
  199   2HD1  ILE  22          1HD1      ILE  22   3.303  -1.584  -1.584
  200   3HD1  ILE  22          3HD1      ILE  22   2.534  -1.006  -1.006
  201    H    GLU  23           H        GLU  23   6.725   0.526   0.526
  202    HA   GLU  23           HA       GLU  23   9.421  -0.049  -0.049
  203   1HB   GLU  23          2HB       GLU  23   8.332   2.067   2.067
  204   2HB   GLU  23          1HB       GLU  23   8.465   1.289   1.289
  205   1HG   GLU  23          2HG       GLU  23  10.851   1.196   1.196
  206   2HG   GLU  23          1HG       GLU  23  10.832   1.628   1.628
  207    H    LYS  24           H        LYS  24   7.457  -0.954  -0.954
  208    HA   LYS  24           HA       LYS  24   9.645  -2.689  -2.689
  209   1HB   LYS  24          2HB       LYS  24   7.039  -1.570  -1.570
  210   2HB   LYS  24          1HB       LYS  24   7.924  -2.822  -2.822
  211   1HG   LYS  24          2HG       LYS  24   9.577  -0.538  -0.538
  212   2HG   LYS  24          1HG       LYS  24   8.357  -0.140  -0.140
  213   1HD   LYS  24          2HD       LYS  24   9.977  -2.608  -2.608
  214   2HD   LYS  24          1HD       LYS  24  10.773  -1.055  -1.055
  215   1HE   LYS  24          2HE       LYS  24   9.604  -0.648  -0.648
  216   2HE   LYS  24          1HE       LYS  24   8.078  -1.202  -1.202
  217   1HZ   LYS  24          3HZ       LYS  24  10.301  -2.967  -2.967
  218   2HZ   LYS  24          2HZ       LYS  24   8.848  -2.726  -2.726
  219   3HZ   LYS  24          1HZ       LYS  24   8.832  -3.481  -3.481
  220    H    PHE  25           H        PHE  25   7.628  -3.156  -3.156
  221    HA   PHE  25           HA       PHE  25   6.217  -5.591  -5.591
  222   1HB   PHE  25          2HB       PHE  25   5.035  -3.928  -3.928
  223   2HB   PHE  25          1HB       PHE  25   6.301  -3.922  -3.922
  224    HD1  PHE  25          2HD       PHE  25   4.905  -6.992  -6.992
  225    HD2  PHE  25          1HD       PHE  25   5.002  -4.438  -4.438
  226    HE1  PHE  25          2HE       PHE  25   3.692  -8.719  -8.719
  227    HE2  PHE  25          1HE       PHE  25   3.784  -6.171  -6.171
  228   1HZ   PHE  25           HZ       PHE  25   3.129  -8.310  -8.310
  229    H    LYS  26           H        LYS  26   9.259  -4.856  -4.856
  230    HA   LYS  26           HA       LYS  26  10.965  -6.131  -6.131
  231   1HB   LYS  26          2HB       LYS  26   9.109  -8.149  -8.149
  232   2HB   LYS  26          1HB       LYS  26  10.503  -8.696  -8.696
  233   1HG   LYS  26          2HG       LYS  26  11.941  -7.192  -7.192
  234   2HG   LYS  26          1HG       LYS  26  10.525  -6.888  -6.888
  235   1HD   LYS  26          2HD       LYS  26  10.488  -9.045  -9.045
  236   2HD   LYS  26          1HD       LYS  26  11.264  -9.729  -9.729
  237   1HE   LYS  26          2HE       LYS  26  12.944  -9.802  -9.802
  238   2HE   LYS  26          1HE       LYS  26  13.356  -8.375  -8.375
  239   1HZ   LYS  26          3HZ       LYS  26  11.967  -7.046  -7.046
  240   2HZ   LYS  26          2HZ       LYS  26  11.766  -8.419  -8.419
  241   3HZ   LYS  26          1HZ       LYS  26  13.309  -7.739  -7.739
  242    H    GLY  27           H        GLY  27   8.671  -5.203  -5.203
  243   1HA   GLY  27          2HA       GLY  27   9.155  -6.668  -6.668
  244   2HA   GLY  27          1HA       GLY  27   7.535  -6.949  -6.949
  245    H    ARG  28           H        ARG  28   9.548  -4.025  -4.025
  246    HA   ARG  28           HA       ARG  28   7.534  -2.125  -2.125
  247   1HB   ARG  28          2HB       ARG  28   9.398  -0.698  -0.698
  248   2HB   ARG  28          1HB       ARG  28   9.868  -1.630  -1.630
  249   1HG   ARG  28          2HG       ARG  28  11.076  -3.215  -3.215
  250   2HG   ARG  28          1HG       ARG  28  10.384  -2.592  -2.592
  251   1HD   ARG  28          2HD       ARG  28  11.514  -0.317  -0.317
  252   2HD   ARG  28          1HD       ARG  28  12.606  -1.487  -1.487
  253    HE   ARG  28           HE       ARG  28  12.388  -1.005  -1.005
  254   1HH1  ARG  28          1HH2      ARG  28  13.044  -3.442  -3.442
  255   2HH1  ARG  28          2HH2      ARG  28  13.990  -4.405  -4.405
  256   1HH2  ARG  28          1HH1      ARG  28  13.620  -2.282  -2.282
  257   2HH2  ARG  28          2HH1      ARG  28  14.312  -3.758  -3.758

  Start of MODEL   31
    1   1H    GLN   1          2HT       GLN   1 -13.068   8.384   8.384
    2   2H    GLN   1          1HT       GLN   1 -13.934   7.172   7.172
    3   3H    GLN   1          3HT       GLN   1 -12.263   7.333   7.333
    4    HA   GLN   1           HA       GLN   1 -12.750   5.451   5.451
    5   1HB   GLN   1          2HB       GLN   1 -14.380   7.639   7.639
    6   2HB   GLN   1          1HB       GLN   1 -13.598   6.584   6.584
    7   1HG   GLN   1          2HG       GLN   1 -14.537   4.719   4.719
    8   2HG   GLN   1          1HG       GLN   1 -15.755   5.973   5.973
    9   1HE2  GLN   1          2HE2      GLN   1 -16.685   3.769   3.769
   10   2HE2  GLN   1          1HE2      GLN   1 -16.273   3.422   3.422
   11    H    GLN   2           H        GLN   2 -10.376   6.000   6.000
   12    HA   GLN   2           HA       GLN   2  -9.058   7.717   7.717
   13   1HB   GLN   2          2HB       GLN   2  -8.251   6.098   6.098
   14   2HB   GLN   2          1HB       GLN   2  -7.030   6.768   6.768
   15   1HG   GLN   2          2HG       GLN   2  -7.224   8.582   8.582
   16   2HG   GLN   2          1HG       GLN   2  -8.585   8.955   8.955
   17   1HE2  GLN   2          2HE2      GLN   2  -9.689   8.942   8.942
   18   2HE2  GLN   2          1HE2      GLN   2  -8.422   9.731   9.731
   19    H    TYR   3           H        TYR   3  -7.758   4.542   4.542
   20    HA   TYR   3           HA       TYR   3  -7.863   3.750   3.750
   21   1HB   TYR   3          2HB       TYR   3  -5.739   3.716   3.716
   22   2HB   TYR   3          1HB       TYR   3  -5.748   2.420   2.420
   23    HD1  TYR   3          1HD       TYR   3  -6.256   6.123   6.123
   24    HD2  TYR   3          2HD       TYR   3  -4.531   2.769   2.769
   25    HE1  TYR   3          1HE       TYR   3  -5.301   7.661   7.661
   26    HE2  TYR   3          2HE       TYR   3  -3.553   4.306   4.306
   27    HH   TYR   3           HH       TYR   3  -4.541   7.321   7.321
   28    H    THR   4           H        THR   4  -9.572   2.353   2.353
   29    HA   THR   4           HA       THR   4  -9.770   0.253   0.253
   30    HB   THR   4           HB       THR   4 -11.572   0.871   0.871
   31    HG1  THR   4          1HG       THR   4 -12.021   2.605   2.605
   32   1HG2  THR   4          3HG2      THR   4 -11.851  -0.728  -0.728
   33   2HG2  THR   4          2HG2      THR   4 -13.263  -0.130  -0.130
   34   3HG2  THR   4          1HG2      THR   4 -12.148  -1.246  -1.246
   35    H    ALA   5           H        ALA   5  -8.370   0.644   0.644
   36    HA   ALA   5           HA       ALA   5  -8.864  -1.776  -1.776
   37   1HB   ALA   5          1HB       ALA   5  -7.392   0.455   0.455
   38   2HB   ALA   5          3HB       ALA   5  -6.102  -0.676  -0.676
   39   3HB   ALA   5          2HB       ALA   5  -7.175  -1.017  -1.017
   40    H    LYS   6           H        LYS   6  -7.212  -3.580  -3.580
   41    HA   LYS   6           HA       LYS   6  -5.805  -4.209  -4.209
   42   1HB   LYS   6          2HB       LYS   6  -7.743  -5.905  -5.905
   43   2HB   LYS   6          1HB       LYS   6  -6.726  -6.557  -6.557
   44   1HG   LYS   6          2HG       LYS   6  -7.773  -4.511  -4.511
   45   2HG   LYS   6          1HG       LYS   6  -9.075  -4.720  -4.720
   46   1HD   LYS   6          2HD       LYS   6  -9.757  -6.200  -6.200
   47   2HD   LYS   6          1HD       LYS   6  -8.801  -7.276  -7.276
   48   1HE   LYS   6          2HE       LYS   6  -6.836  -6.324  -6.324
   49   2HE   LYS   6          1HE       LYS   6  -8.212  -6.252  -6.252
   50   1HZ   LYS   6          3HZ       LYS   6  -7.517  -8.604  -8.604
   51   2HZ   LYS   6          2HZ       LYS   6  -7.143  -8.457  -8.457
   52   3HZ   LYS   6          1HZ       LYS   6  -8.764  -8.519  -8.519
   53    H    ILE   7           H        ILE   7  -4.033  -3.402  -3.402
   54    HA   ILE   7           HA       ILE   7  -3.246  -4.684  -4.684
   55    HB   ILE   7           HB       ILE   7  -2.289  -2.629  -2.629
   56   1HG1  ILE   7          2HG1      ILE   7  -0.062  -4.662  -4.662
   57   2HG1  ILE   7          1HG1      ILE   7  -0.800  -4.126  -4.126
   58   1HG2  ILE   7          3HG2      ILE   7  -2.219  -3.791  -3.791
   59   2HG2  ILE   7          2HG2      ILE   7  -0.545  -3.419  -3.419
   60   3HG2  ILE   7          1HG2      ILE   7  -1.764  -2.146  -2.146
   61   1HD1  ILE   7          1HD1      ILE   7   0.144  -2.020  -2.020
   62   2HD1  ILE   7          3HD1      ILE   7   1.372  -2.933  -2.933
   63   3HD1  ILE   7          2HD1      ILE   7   0.141  -2.031  -2.031
   64    H    LYS   8           H        LYS   8  -0.858  -5.348  -5.348
   65    HA   LYS   8           HA       LYS   8  -0.543  -8.058  -8.058
   66   1HB   LYS   8          2HB       LYS   8   0.229  -6.551  -6.551
   67   2HB   LYS   8          1HB       LYS   8   0.839  -8.150  -8.150
   68   1HG   LYS   8          2HG       LYS   8   1.075  -6.075  -6.075
   69   2HG   LYS   8          1HG       LYS   8   2.120  -5.881  -5.881
   70   1HD   LYS   8          2HD       LYS   8   3.317  -7.793  -7.793
   71   2HD   LYS   8          1HD       LYS   8   1.933  -8.611  -8.611
   72   1HE   LYS   8          2HE       LYS   8   2.132  -7.168  -7.168
   73   2HE   LYS   8          1HE       LYS   8   3.545  -6.374  -6.374
   74   1HZ   LYS   8          1HZ       LYS   8   3.329  -9.313  -9.313
   75   2HZ   LYS   8          3HZ       LYS   8   4.081  -8.302  -8.302
   76   3HZ   LYS   8          2HZ       LYS   8   4.706  -8.422  -8.422
   77    H    GLY   9           H        GLY   9  -2.793  -6.512  -6.512
   78   1HA   GLY   9          2HA       GLY   9  -4.785  -8.063  -8.063
   79   2HA   GLY   9          1HA       GLY   9  -3.563  -9.095  -9.095
   80    H    ARG  10           H        ARG  10  -4.033  -5.567  -5.567
   81    HA   ARG  10           HA       ARG  10  -4.337  -5.554  -5.554
   82   1HB   ARG  10          2HB       ARG  10  -1.925  -5.458  -5.458
   83   2HB   ARG  10          1HB       ARG  10  -2.302  -3.985  -3.985
   84   1HG   ARG  10          2HG       ARG  10  -1.877  -2.823  -2.823
   85   2HG   ARG  10          1HG       ARG  10  -3.326  -3.538  -3.538
   86   1HD   ARG  10          2HD       ARG  10  -1.332  -5.534  -5.534
   87   2HD   ARG  10          1HD       ARG  10  -0.550  -4.014  -4.014
   88    HE   ARG  10           HE       ARG  10  -3.220  -4.298  -4.298
   89   1HH1  ARG  10          1HH2      ARG  10   0.159  -5.105  -5.105
   90   2HH1  ARG  10          2HH2      ARG  10   0.004  -5.314  -5.314
   91   1HH2  ARG  10          1HH1      ARG  10  -3.373  -4.578  -4.578
   92   2HH2  ARG  10          2HH1      ARG  10  -1.972  -5.018  -5.018
   93    H    THR  11           H        THR  11  -5.605  -3.831  -3.831
   94    HA   THR  11           HA       THR  11  -6.689  -1.966  -1.966
   95    HB   THR  11           HB       THR  11  -7.552  -2.228  -2.228
   96    HG1  THR  11          1HG       THR  11  -8.833  -3.943  -3.943
   97   1HG2  THR  11          3HG2      THR  11  -8.666  -1.176  -1.176
   98   2HG2  THR  11          2HG2      THR  11  -9.804  -1.941  -1.941
   99   3HG2  THR  11          1HG2      THR  11  -8.843  -0.563  -0.563
  100    H    PHE  12           H        PHE  12  -5.791   0.088   0.088
  101    HA   PHE  12           HA       PHE  12  -3.952   0.788   0.788
  102   1HB   PHE  12          2HB       PHE  12  -4.378   1.948   1.948
  103   2HB   PHE  12          1HB       PHE  12  -3.064   2.370   2.370
  104    HD1  PHE  12          2HD       PHE  12  -4.554  -0.390  -0.390
  105    HD2  PHE  12          1HD       PHE  12  -1.194   0.908   0.908
  106    HE1  PHE  12          2HE       PHE  12  -3.253  -2.334  -2.334
  107    HE2  PHE  12          1HE       PHE  12   0.092  -1.051  -1.051
  108   1HZ   PHE  12           HZ       PHE  12  -0.931  -2.675  -2.675
  109    H    ARG  13           H        ARG  13  -4.474   2.312   2.312
  110    HA   ARG  13           HA       ARG  13  -7.020   3.644   3.644
  111   1HB   ARG  13          2HB       ARG  13  -4.380   3.795   3.795
  112   2HB   ARG  13          1HB       ARG  13  -5.608   5.016   5.016
  113   1HG   ARG  13          2HG       ARG  13  -7.155   3.410   3.410
  114   2HG   ARG  13          1HG       ARG  13  -6.259   2.071   2.071
  115   1HD   ARG  13          2HD       ARG  13  -4.317   2.975   2.975
  116   2HD   ARG  13          1HD       ARG  13  -5.708   3.567   3.567
  117    HE   ARG  13           HE       ARG  13  -6.019   0.809   0.809
  118   1HH1  ARG  13          1HH2      ARG  13  -4.787   2.873   2.873
  119   2HH1  ARG  13          2HH2      ARG  13  -4.865   1.621   1.621
  120   1HH2  ARG  13          1HH1      ARG  13  -6.097  -0.780  -0.780
  121   2HH2  ARG  13          2HH1      ARG  13  -5.596  -0.425  -0.425
  122    H    ASN  14           H        ASN  14  -3.956   4.470   4.470
  123    HA   ASN  14           HA       ASN  14  -5.121   6.843   6.843
  124   1HB   ASN  14          2HB       ASN  14  -3.379   8.345   8.345
  125   2HB   ASN  14          1HB       ASN  14  -4.457   7.688   7.688
  126   1HD2  ASN  14          2HD2      ASN  14  -1.801   6.236   6.236
  127   2HD2  ASN  14          1HD2      ASN  14  -3.385   6.844   6.844
  128    H    GLU  15           H        GLU  15  -3.457   7.818   7.818
  129    HA   GLU  15           HA       GLU  15  -2.241   5.857   5.857
  130   1HB   GLU  15          2HB       GLU  15  -2.864   8.444   8.444
  131   2HB   GLU  15          1HB       GLU  15  -1.138   8.617   8.617
  132   1HG   GLU  15          2HG       GLU  15  -1.961   6.572   6.572
  133   2HG   GLU  15          1HG       GLU  15  -2.081   8.266   8.266
  134    H    LYS  16           H        LYS  16  -0.834   7.906   7.906
  135    HA   LYS  16           HA       LYS  16   1.893   7.398   7.398
  136   1HB   LYS  16          2HB       LYS  16  -0.007   8.190   8.190
  137   2HB   LYS  16          1HB       LYS  16   1.321   7.275   7.275
  138   1HG   LYS  16          2HG       LYS  16   2.568   9.149   9.149
  139   2HG   LYS  16          1HG       LYS  16   2.536   9.033   9.033
  140   1HD   LYS  16          2HD       LYS  16   0.777  10.556  10.556
  141   2HD   LYS  16          1HD       LYS  16   0.203  10.265  10.265
  142   1HE   LYS  16          2HE       LYS  16   2.215  11.400  11.400
  143   2HE   LYS  16          1HE       LYS  16   2.763  11.724  11.724
  144   1HZ   LYS  16          3HZ       LYS  16   0.094  12.513  12.513
  145   2HZ   LYS  16          2HZ       LYS  16   1.433  13.559  13.559
  146   3HZ   LYS  16          1HZ       LYS  16   0.796  12.960  12.960
  147    H    GLU  17           H        GLU  17  -0.422   5.396   5.396
  148    HA   GLU  17           HA       GLU  17   1.426   3.337   3.337
  149   1HB   GLU  17          2HB       GLU  17  -1.471   3.819   3.819
  150   2HB   GLU  17          1HB       GLU  17  -1.072   2.121   2.121
  151   1HG   GLU  17          2HG       GLU  17  -1.282   2.372   2.372
  152   2HG   GLU  17          1HG       GLU  17   0.452   2.309   2.309
  153    H    LEU  18           H        LEU  18  -0.660   3.730   3.730
  154    HA   LEU  18           HA       LEU  18  -0.061   1.261   1.261
  155   1HB   LEU  18          2HB       LEU  18  -1.786   3.136   3.136
  156   2HB   LEU  18          1HB       LEU  18  -0.463   3.942   3.942
  157    HG   LEU  18           HG       LEU  18  -0.166   1.600   1.600
  158   1HD1  LEU  18          3HD1      LEU  18  -2.944   1.503   1.503
  159   2HD1  LEU  18          2HD1      LEU  18  -2.550   0.638   0.638
  160   3HD1  LEU  18          1HD1      LEU  18  -1.699   0.255   0.255
  161   1HD2  LEU  18          2HD2      LEU  18  -1.629   3.988   3.988
  162   2HD2  LEU  18          1HD2      LEU  18  -0.841   2.867   2.867
  163   3HD2  LEU  18          3HD2      LEU  18  -2.522   2.610   2.610
  164    H    ARG  19           H        ARG  19   1.793   4.166   4.166
  165    HA   ARG  19           HA       ARG  19   3.851   3.413   3.413
  166   1HB   ARG  19          2HB       ARG  19   2.991   5.720   5.720
  167   2HB   ARG  19          1HB       ARG  19   3.427   5.826   5.826
  168   1HG   ARG  19          2HG       ARG  19   5.824   5.349   5.349
  169   2HG   ARG  19          1HG       ARG  19   5.297   5.557   5.557
  170   1HD   ARG  19          2HD       ARG  19   4.311   7.830   7.830
  171   2HD   ARG  19          1HD       ARG  19   5.431   7.614   7.614
  172    HE   ARG  19           HE       ARG  19   6.192   8.152   8.152
  173   1HH1  ARG  19          1HH2      ARG  19   7.184   6.699   6.699
  174   2HH1  ARG  19          2HH2      ARG  19   8.867   6.833   6.833
  175   1HH2  ARG  19          1HH1      ARG  19   8.379   8.301   8.301
  176   2HH2  ARG  19          2HH1      ARG  19   9.539   7.728   7.728
  177    H    ASP  20           H        ASP  20   3.209   3.381   3.381
  178    HA   ASP  20           HA       ASP  20   6.088   2.888   2.888
  179   1HB   ASP  20          2HB       ASP  20   3.602   3.600   3.600
  180   2HB   ASP  20          1HB       ASP  20   5.026   2.990   2.990
  181    H    PHE  21           H        PHE  21   3.734   0.956   0.956
  182    HA   PHE  21           HA       PHE  21   4.009  -1.231  -1.231
  183   1HB   PHE  21          2HB       PHE  21   1.804  -0.951  -0.951
  184   2HB   PHE  21          1HB       PHE  21   2.372  -0.661  -0.661
  185    HD1  PHE  21          2HD       PHE  21   3.653  -3.428  -3.428
  186    HD2  PHE  21          1HD       PHE  21   0.991  -2.294  -2.294
  187    HE1  PHE  21          2HE       PHE  21   3.351  -5.797  -5.797
  188    HE2  PHE  21          1HE       PHE  21   0.676  -4.689  -4.689
  189   1HZ   PHE  21           HZ       PHE  21   1.856  -6.448  -6.448
  190    H    ILE  22           H        ILE  22   4.487  -0.767  -0.767
  191    HA   ILE  22           HA       ILE  22   6.098  -3.111  -3.111
  192    HB   ILE  22           HB       ILE  22   5.813  -0.536  -0.536
  193   1HG1  ILE  22          2HG1      ILE  22   4.673  -2.539  -2.539
  194   2HG1  ILE  22          1HG1      ILE  22   4.343  -3.095  -3.095
  195   1HG2  ILE  22          3HG2      ILE  22   7.151  -3.131  -3.131
  196   2HG2  ILE  22          2HG2      ILE  22   6.796  -1.799  -1.799
  197   3HG2  ILE  22          1HG2      ILE  22   7.950  -1.574  -1.574
  198   1HD1  ILE  22          1HD1      ILE  22   3.854  -0.211  -0.211
  199   2HD1  ILE  22          3HD1      ILE  22   2.742  -1.352  -1.352
  200   3HD1  ILE  22          2HD1      ILE  22   2.938  -1.340  -1.340
  201    H    GLU  23           H        GLU  23   6.802   0.187   0.187
  202    HA   GLU  23           HA       GLU  23   9.666   0.049   0.049
  203   1HB   GLU  23          2HB       GLU  23   7.707   1.730   1.730
  204   2HB   GLU  23          1HB       GLU  23   9.447   1.986   1.986
  205   1HG   GLU  23          2HG       GLU  23   8.015   1.927   1.927
  206   2HG   GLU  23          1HG       GLU  23   8.221   3.415   3.415
  207    H    LYS  24           H        LYS  24   7.344  -0.588  -0.588
  208    HA   LYS  24           HA       LYS  24   9.501  -1.582  -1.582
  209   1HB   LYS  24          2HB       LYS  24   7.741   0.001   0.001
  210   2HB   LYS  24          1HB       LYS  24   6.512  -1.203  -1.203
  211   1HG   LYS  24          2HG       LYS  24   7.076  -2.561  -2.561
  212   2HG   LYS  24          1HG       LYS  24   8.773  -2.080  -2.080
  213   1HD   LYS  24          2HD       LYS  24   7.740   0.279   0.279
  214   2HD   LYS  24          1HD       LYS  24   6.454  -0.750  -0.750
  215   1HE   LYS  24          2HE       LYS  24   7.959  -0.598  -0.598
  216   2HE   LYS  24          1HE       LYS  24   8.434  -2.126  -2.126
  217   1HZ   LYS  24          3HZ       LYS  24   9.613   0.522   0.522
  218   2HZ   LYS  24          2HZ       LYS  24  10.336  -0.619  -0.619
  219   3HZ   LYS  24          1HZ       LYS  24  10.104  -0.982  -0.982
  220    H    PHE  25           H        PHE  25   8.193  -2.941  -2.941
  221    HA   PHE  25           HA       PHE  25   6.806  -5.298  -5.298
  222   1HB   PHE  25          2HB       PHE  25   7.062  -4.046  -4.046
  223   2HB   PHE  25          1HB       PHE  25   8.402  -5.158  -5.158
  224    HD1  PHE  25          2HD       PHE  25   7.734  -7.678  -7.678
  225    HD2  PHE  25          1HD       PHE  25   5.050  -4.712  -4.712
  226    HE1  PHE  25          2HE       PHE  25   6.161  -9.466  -9.466
  227    HE2  PHE  25          1HE       PHE  25   3.471  -6.510  -6.510
  228   1HZ   PHE  25           HZ       PHE  25   4.025  -8.886  -8.886
  229    H    LYS  26           H        LYS  26  10.122  -4.469  -4.469
  230    HA   LYS  26           HA       LYS  26  12.164  -5.528  -5.528
  231   1HB   LYS  26          2HB       LYS  26  10.558  -6.153  -6.153
  232   2HB   LYS  26          1HB       LYS  26  10.727  -7.769  -7.769
  233   1HG   LYS  26          2HG       LYS  26  13.178  -7.566  -7.566
  234   2HG   LYS  26          1HG       LYS  26  13.024  -5.940  -5.940
  235   1HD   LYS  26          2HD       LYS  26  11.581  -8.154  -8.154
  236   2HD   LYS  26          1HD       LYS  26  13.332  -8.064  -8.064
  237   1HE   LYS  26          2HE       LYS  26  13.198  -5.811  -5.811
  238   2HE   LYS  26          1HE       LYS  26  11.469  -5.711  -5.711
  239   1HZ   LYS  26          2HZ       LYS  26  12.684  -7.721  -7.721
  240   2HZ   LYS  26          1HZ       LYS  26  11.852  -6.331  -6.331
  241   3HZ   LYS  26          3HZ       LYS  26  11.030  -7.542  -7.542
  242    H    GLY  27           H        GLY  27  10.033  -6.428  -6.428
  243   1HA   GLY  27          2HA       GLY  27  11.729  -8.380  -8.380
  244   2HA   GLY  27          1HA       GLY  27  10.201  -9.066  -9.066
  245    H    ARG  28           H        ARG  28  10.450  -5.721  -5.721
  246    HA   ARG  28           HA       ARG  28   9.283  -4.546  -4.546
  247   1HB   ARG  28          2HB       ARG  28  10.350  -7.017  -7.017
  248   2HB   ARG  28          1HB       ARG  28   9.648  -5.654  -5.654
  249   1HG   ARG  28          2HG       ARG  28  11.360  -4.188  -4.188
  250   2HG   ARG  28          1HG       ARG  28  11.833  -5.196  -5.196
  251   1HD   ARG  28          2HD       ARG  28  13.098  -6.620  -6.620
  252   2HD   ARG  28          1HD       ARG  28  12.067  -6.388  -6.388
  253    HE   ARG  28           HE       ARG  28  13.352  -4.489  -4.489
  254   1HH1  ARG  28          1HH2      ARG  28  13.921  -5.381  -5.381
  255   2HH1  ARG  28          2HH2      ARG  28  15.185  -4.218  -4.218
  256   1HH2  ARG  28          1HH1      ARG  28  14.994  -2.997  -2.997
  257   2HH2  ARG  28          2HH1      ARG  28  15.788  -2.882  -2.882

  Start of MODEL   32
    1   1H    GLN   1          2HT       GLN   1 -15.184   2.098   2.098
    2   2H    GLN   1          1HT       GLN   1 -14.891   1.420   1.420
    3   3H    GLN   1          3HT       GLN   1 -15.388   0.429   0.429
    4    HA   GLN   1           HA       GLN   1 -13.324   0.717   0.717
    5   1HB   GLN   1          2HB       GLN   1 -13.319   0.072   0.072
    6   2HB   GLN   1          1HB       GLN   1 -11.840  -0.080  -0.080
    7   1HG   GLN   1          2HG       GLN   1 -14.356  -1.308  -1.308
    8   2HG   GLN   1          1HG       GLN   1 -13.494  -2.133  -2.133
    9   1HE2  GLN   1          2HE2      GLN   1 -11.215  -3.510  -3.510
   10   2HE2  GLN   1          1HE2      GLN   1 -12.130  -3.692  -3.692
   11    H    GLN   2           H        GLN   2 -10.914   1.428   1.428
   12    HA   GLN   2           HA       GLN   2 -10.990   4.363   4.363
   13   1HB   GLN   2          2HB       GLN   2  -8.971   2.281   2.281
   14   2HB   GLN   2          1HB       GLN   2  -8.497   3.959   3.959
   15   1HG   GLN   2          2HG       GLN   2  -9.058   4.139   4.139
   16   2HG   GLN   2          1HG       GLN   2 -10.669   4.372   4.372
   17   1HE2  GLN   2          2HE2      GLN   2  -9.883   1.065   1.065
   18   2HE2  GLN   2          1HE2      GLN   2  -8.712   2.268   2.268
   19    H    TYR   3           H        TYR   3  -8.463   2.143   2.143
   20    HA   TYR   3           HA       TYR   3  -8.684   3.457   3.457
   21   1HB   TYR   3          2HB       TYR   3  -6.427   2.473   2.473
   22   2HB   TYR   3          1HB       TYR   3  -6.204   2.612   2.612
   23    HD1  TYR   3          2HD       TYR   3  -7.751   4.611   4.611
   24    HD2  TYR   3          1HD       TYR   3  -5.286   4.621   4.621
   25    HE1  TYR   3          2HE       TYR   3  -7.437   7.049   7.049
   26    HE2  TYR   3          1HE       TYR   3  -4.953   7.060   7.060
   27    HH   TYR   3           HH       TYR   3  -6.853   8.995   8.995
   28    H    THR   4           H        THR   4  -9.368   2.121   2.121
   29    HA   THR   4           HA       THR   4  -9.766  -0.714  -0.714
   30    HB   THR   4           HB       THR   4  -9.725   0.795   0.795
   31    HG1  THR   4          1HG       THR   4 -11.030   2.083   2.083
   32   1HG2  THR   4          2HG2      THR   4 -11.132  -1.628  -1.628
   33   2HG2  THR   4          1HG2      THR   4 -11.809  -0.737  -0.737
   34   3HG2  THR   4          3HG2      THR   4 -10.211  -1.470  -1.470
   35    H    ALA   5           H        ALA   5  -6.966   1.034   1.034
   36    HA   ALA   5           HA       ALA   5  -5.711  -0.613  -0.613
   37   1HB   ALA   5          2HB       ALA   5  -4.954   1.390   1.390
   38   2HB   ALA   5          1HB       ALA   5  -3.652   0.334   0.334
   39   3HB   ALA   5          3HB       ALA   5  -4.532   1.326   1.326
   40    H    LYS   6           H        LYS   6  -6.250  -2.826  -2.826
   41    HA   LYS   6           HA       LYS   6  -5.128  -3.818  -3.818
   42   1HB   LYS   6          2HB       LYS   6  -6.302  -5.893  -5.893
   43   2HB   LYS   6          1HB       LYS   6  -7.370  -4.493  -4.493
   44   1HG   LYS   6          2HG       LYS   6  -6.104  -4.657  -4.657
   45   2HG   LYS   6          1HG       LYS   6  -6.578  -6.303  -6.303
   46   1HD   LYS   6          2HD       LYS   6  -8.862  -5.715  -5.715
   47   2HD   LYS   6          1HD       LYS   6  -8.496  -3.993  -3.993
   48   1HE   LYS   6          2HE       LYS   6  -8.195  -3.793  -3.793
   49   2HE   LYS   6          1HE       LYS   6  -7.691  -5.486  -5.486
   50   1HZ   LYS   6          3HZ       LYS   6 -10.421  -4.640  -4.640
   51   2HZ   LYS   6          2HZ       LYS   6  -9.990  -5.055  -5.055
   52   3HZ   LYS   6          1HZ       LYS   6  -9.905  -6.217  -6.217
   53    H    ILE   7           H        ILE   7  -2.891  -3.192  -3.192
   54    HA   ILE   7           HA       ILE   7  -1.678  -4.582  -4.582
   55    HB   ILE   7           HB       ILE   7  -0.724  -3.319  -3.319
   56   1HG1  ILE   7          2HG1      ILE   7  -0.495  -2.546  -2.546
   57   2HG1  ILE   7          1HG1      ILE   7  -1.684  -1.905  -1.905
   58   1HG2  ILE   7          2HG2      ILE   7   0.807  -5.088  -5.088
   59   2HG2  ILE   7          1HG2      ILE   7   1.489  -3.461  -3.461
   60   3HG2  ILE   7          3HG2      ILE   7   1.278  -4.332  -4.332
   61   1HD1  ILE   7          3HD1      ILE   7   0.155  -1.025  -1.025
   62   2HD1  ILE   7          2HD1      ILE   7   1.324  -1.629  -1.629
   63   3HD1  ILE   7          1HD1      ILE   7   0.201  -0.348  -0.348
   64    H    LYS   8           H        LYS   8  -0.331  -5.362  -5.362
   65    HA   LYS   8           HA       LYS   8   0.105  -8.098  -8.098
   66   1HB   LYS   8          2HB       LYS   8   1.336  -6.792  -6.792
   67   2HB   LYS   8          1HB       LYS   8  -0.130  -6.662  -6.662
   68   1HG   LYS   8          2HG       LYS   8   1.290  -8.444  -8.444
   69   2HG   LYS   8          1HG       LYS   8  -0.183  -9.140  -9.140
   70   1HD   LYS   8          2HD       LYS   8   1.695  -9.016  -9.016
   71   2HD   LYS   8          1HD       LYS   8   2.565  -9.642  -9.642
   72   1HE   LYS   8          2HE       LYS   8  -0.141 -10.761 -10.761
   73   2HE   LYS   8          1HE       LYS   8   1.342 -11.374 -11.374
   74   1HZ   LYS   8          2HZ       LYS   8   0.944 -11.083 -11.083
   75   2HZ   LYS   8          1HZ       LYS   8   0.754 -12.545 -12.545
   76   3HZ   LYS   8          3HZ       LYS   8   2.274 -11.795 -11.795
   77    H    GLY   9           H        GLY   9  -2.725  -6.428  -6.428
   78   1HA   GLY   9          2HA       GLY   9  -4.849  -7.765  -7.765
   79   2HA   GLY   9          1HA       GLY   9  -4.054  -9.041  -9.041
   80    H    ARG  10           H        ARG  10  -4.239  -5.510  -5.510
   81    HA   ARG  10           HA       ARG  10  -5.738  -5.943  -5.943
   82   1HB   ARG  10          2HB       ARG  10  -3.905  -4.224  -4.224
   83   2HB   ARG  10          1HB       ARG  10  -3.672  -5.967  -5.967
   84   1HG   ARG  10          2HG       ARG  10  -2.246  -5.924  -5.924
   85   2HG   ARG  10          1HG       ARG  10  -2.586  -4.212  -4.212
   86   1HD   ARG  10          2HD       ARG  10  -0.531  -4.123  -4.123
   87   2HD   ARG  10          1HD       ARG  10  -1.675  -3.985  -3.985
   88    HE   ARG  10           HE       ARG  10  -1.055  -6.753  -6.753
   89   1HH1  ARG  10          1HH2      ARG  10  -0.078  -3.977  -3.977
   90   2HH1  ARG  10          2HH2      ARG  10   0.777  -4.940  -4.940
   91   1HH2  ARG  10          1HH1      ARG  10   0.063  -7.957  -7.957
   92   2HH2  ARG  10          2HH1      ARG  10   0.856  -7.167  -7.167
   93    H    THR  11           H        THR  11  -6.803  -4.067  -4.067
   94    HA   THR  11           HA       THR  11  -7.286  -1.980  -1.980
   95    HB   THR  11           HB       THR  11  -9.080  -2.976  -2.976
   96    HG1  THR  11          1HG       THR  11  -9.491  -0.953  -0.953
   97   1HG2  THR  11          3HG2      THR  11  -7.554  -1.600  -1.600
   98   2HG2  THR  11          2HG2      THR  11  -9.181  -2.258  -2.258
   99   3HG2  THR  11          1HG2      THR  11  -7.825  -3.334  -3.334
  100    H    PHE  12           H        PHE  12  -6.298   0.074   0.074
  101    HA   PHE  12           HA       PHE  12  -4.197   0.378   0.378
  102   1HB   PHE  12          2HB       PHE  12  -4.738   1.563   1.563
  103   2HB   PHE  12          1HB       PHE  12  -3.477   2.200   2.200
  104    HD1  PHE  12          1HD       PHE  12  -4.731  -1.155  -1.155
  105    HD2  PHE  12          2HD       PHE  12  -1.347   1.320   1.320
  106    HE1  PHE  12          1HE       PHE  12  -3.220  -2.955  -2.955
  107    HE2  PHE  12          2HE       PHE  12   0.165  -0.504  -0.504
  108   1HZ   PHE  12           HZ       PHE  12  -0.782  -2.635  -2.635
  109    H    ARG  13           H        ARG  13  -4.113   2.185   2.185
  110    HA   ARG  13           HA       ARG  13  -6.627   3.511   3.511
  111   1HB   ARG  13          2HB       ARG  13  -4.146   2.956   2.956
  112   2HB   ARG  13          1HB       ARG  13  -4.249   4.714   4.714
  113   1HG   ARG  13          2HG       ARG  13  -6.779   4.103   4.103
  114   2HG   ARG  13          1HG       ARG  13  -5.884   2.770   2.770
  115   1HD   ARG  13          2HD       ARG  13  -4.286   4.493   4.493
  116   2HD   ARG  13          1HD       ARG  13  -5.426   5.740   5.740
  117    HE   ARG  13           HE       ARG  13  -5.854   3.893   3.893
  118   1HH1  ARG  13          1HH2      ARG  13  -7.416   5.796   5.796
  119   2HH1  ARG  13          2HH2      ARG  13  -8.907   5.891   5.891
  120   1HH2  ARG  13          1HH1      ARG  13  -7.800   4.045   4.045
  121   2HH2  ARG  13          2HH1      ARG  13  -9.124   4.912   4.912
  122    H    ASN  14           H        ASN  14  -3.541   4.572   4.572
  123    HA   ASN  14           HA       ASN  14  -4.983   6.859   6.859
  124   1HB   ASN  14          2HB       ASN  14  -3.183   8.381   8.381
  125   2HB   ASN  14          1HB       ASN  14  -4.051   7.649   7.649
  126   1HD2  ASN  14          2HD2      ASN  14  -1.161   6.117   6.117
  127   2HD2  ASN  14          1HD2      ASN  14  -2.780   6.567   6.567
  128    H    GLU  15           H        GLU  15  -3.611   7.879   7.879
  129    HA   GLU  15           HA       GLU  15  -2.549   5.983   5.983
  130   1HB   GLU  15          2HB       GLU  15  -3.421   8.342   8.342
  131   2HB   GLU  15          1HB       GLU  15  -1.843   8.915   8.915
  132   1HG   GLU  15          2HG       GLU  15  -0.716   7.915   7.915
  133   2HG   GLU  15          1HG       GLU  15  -2.090   6.875   6.875
  134    H    LYS  16           H        LYS  16  -0.875   8.075   8.075
  135    HA   LYS  16           HA       LYS  16   1.806   7.613   7.613
  136   1HB   LYS  16          2HB       LYS  16   0.633   9.045   9.045
  137   2HB   LYS  16          1HB       LYS  16   0.942   7.628   7.628
  138   1HG   LYS  16          2HG       LYS  16   3.201   7.963   7.963
  139   2HG   LYS  16          1HG       LYS  16   3.227   8.547   8.547
  140   1HD   LYS  16          2HD       LYS  16   2.201  10.689  10.689
  141   2HD   LYS  16          1HD       LYS  16   2.332  10.105  10.105
  142   1HE   LYS  16          2HE       LYS  16   4.310  11.368  11.368
  143   2HE   LYS  16          1HE       LYS  16   4.864   9.723   9.723
  144   1HZ   LYS  16          3HZ       LYS  16   3.828  11.625  11.625
  145   2HZ   LYS  16          2HZ       LYS  16   5.481  11.385  11.385
  146   3HZ   LYS  16          1HZ       LYS  16   4.532  10.109  10.109
  147    H    GLU  17           H        GLU  17  -0.318   5.632   5.632
  148    HA   GLU  17           HA       GLU  17   1.597   3.613   3.613
  149   1HB   GLU  17          2HB       GLU  17  -1.137   4.182   4.182
  150   2HB   GLU  17          1HB       GLU  17  -1.124   2.626   2.626
  151   1HG   GLU  17          2HG       GLU  17   0.522   3.252   3.252
  152   2HG   GLU  17          1HG       GLU  17  -1.026   2.405   2.405
  153    H    LEU  18           H        LEU  18  -0.567   4.034   4.034
  154    HA   LEU  18           HA       LEU  18  -0.167   1.578   1.578
  155   1HB   LEU  18          2HB       LEU  18  -1.290   4.154   4.154
  156   2HB   LEU  18          1HB       LEU  18  -0.168   3.900   3.900
  157    HG   LEU  18           HG       LEU  18  -2.242   3.065   3.065
  158   1HD1  LEU  18          1HD1      LEU  18  -0.096   1.401   1.401
  159   2HD1  LEU  18          3HD1      LEU  18  -1.310   0.419   0.419
  160   3HD1  LEU  18          2HD1      LEU  18  -1.606   0.996   0.996
  161   1HD2  LEU  18          1HD2      LEU  18  -2.538   2.281   2.281
  162   2HD2  LEU  18          3HD2      LEU  18  -3.762   2.775   2.775
  163   3HD2  LEU  18          2HD2      LEU  18  -3.187   1.108   1.108
  164    H    ARG  19           H        ARG  19   1.798   4.464   4.464
  165    HA   ARG  19           HA       ARG  19   3.888   3.477   3.477
  166   1HB   ARG  19          2HB       ARG  19   3.165   6.020   6.020
  167   2HB   ARG  19          1HB       ARG  19   4.795   5.814   5.814
  168   1HG   ARG  19          2HG       ARG  19   4.015   5.606   5.606
  169   2HG   ARG  19          1HG       ARG  19   2.363   5.278   5.278
  170   1HD   ARG  19          2HD       ARG  19   1.858   7.491   7.491
  171   2HD   ARG  19          1HD       ARG  19   3.319   7.866   7.866
  172    HE   ARG  19           HE       ARG  19   4.422   8.366   8.366
  173   1HH1  ARG  19          1HH2      ARG  19   1.549   6.478   6.478
  174   2HH1  ARG  19          2HH2      ARG  19   1.711   6.628   6.628
  175   1HH2  ARG  19          1HH1      ARG  19   4.593   8.535   8.535
  176   2HH2  ARG  19          2HH1      ARG  19   3.415   7.779   7.779
  177    H    ASP  20           H        ASP  20   3.246   3.668   3.668
  178    HA   ASP  20           HA       ASP  20   6.133   3.183   3.183
  179   1HB   ASP  20          2HB       ASP  20   3.758   4.327   4.327
  180   2HB   ASP  20          1HB       ASP  20   4.941   3.501   3.501
  181    H    PHE  21           H        PHE  21   3.415   1.317   1.317
  182    HA   PHE  21           HA       PHE  21   3.847  -0.662  -0.662
  183   1HB   PHE  21          2HB       PHE  21   1.590  -0.373  -0.373
  184   2HB   PHE  21          1HB       PHE  21   2.084  -0.424  -0.424
  185    HD1  PHE  21          1HD       PHE  21   2.891  -2.648  -2.648
  186    HD2  PHE  21          2HD       PHE  21   1.161  -2.309  -2.309
  187    HE1  PHE  21          1HE       PHE  21   2.606  -5.103  -5.103
  188    HE2  PHE  21          2HE       PHE  21   0.880  -4.767  -4.767
  189   1HZ   PHE  21           HZ       PHE  21   1.593  -6.171  -6.171
  190    H    ILE  22           H        ILE  22   4.100  -0.579  -0.579
  191    HA   ILE  22           HA       ILE  22   5.422  -3.039  -3.039
  192    HB   ILE  22           HB       ILE  22   5.606  -0.424  -0.424
  193   1HG1  ILE  22          2HG1      ILE  22   4.131  -2.237  -2.237
  194   2HG1  ILE  22          1HG1      ILE  22   3.653  -2.616  -2.616
  195   1HG2  ILE  22          3HG2      ILE  22   7.516  -1.973  -1.973
  196   2HG2  ILE  22          2HG2      ILE  22   6.338  -3.195  -3.195
  197   3HG2  ILE  22          1HG2      ILE  22   6.461  -1.690  -1.690
  198   1HD1  ILE  22          2HD1      ILE  22   3.672   0.186   0.186
  199   2HD1  ILE  22          1HD1      ILE  22   2.963  -0.310  -0.310
  200   3HD1  ILE  22          3HD1      ILE  22   2.249  -0.856  -0.856
  201    H    GLU  23           H        GLU  23   6.666   0.129   0.129
  202    HA   GLU  23           HA       GLU  23   9.461  -0.351  -0.351
  203   1HB   GLU  23          2HB       GLU  23   8.165   1.795   1.795
  204   2HB   GLU  23          1HB       GLU  23   8.109   1.218   1.218
  205   1HG   GLU  23          2HG       GLU  23  10.716   1.396   1.396
  206   2HG   GLU  23          1HG       GLU  23  10.058   2.789   2.789
  207    H    LYS  24           H        LYS  24   7.228  -0.913  -0.913
  208    HA   LYS  24           HA       LYS  24   9.272  -2.308  -2.308
  209   1HB   LYS  24          2HB       LYS  24   7.586  -0.778  -0.778
  210   2HB   LYS  24          1HB       LYS  24   6.292  -1.806  -1.806
  211   1HG   LYS  24          2HG       LYS  24   8.338  -3.207  -3.207
  212   2HG   LYS  24          1HG       LYS  24   7.354  -2.041  -2.041
  213   1HD   LYS  24          2HD       LYS  24   6.201  -4.195  -4.195
  214   2HD   LYS  24          1HD       LYS  24   6.382  -4.364  -4.364
  215   1HE   LYS  24          2HE       LYS  24   5.033  -1.874  -1.874
  216   2HE   LYS  24          1HE       LYS  24   4.125  -3.381  -3.381
  217   1HZ   LYS  24          2HZ       LYS  24   5.471  -2.576  -2.576
  218   2HZ   LYS  24          1HZ       LYS  24   3.800  -2.464  -2.464
  219   3HZ   LYS  24          3HZ       LYS  24   4.552  -3.984  -3.984
  220    H    PHE  25           H        PHE  25   7.066  -3.137  -3.137
  221    HA   PHE  25           HA       PHE  25   6.764  -5.947  -5.947
  222   1HB   PHE  25          2HB       PHE  25   4.692  -4.932  -4.932
  223   2HB   PHE  25          1HB       PHE  25   5.364  -4.037  -4.037
  224    HD1  PHE  25          1HD       PHE  25   5.469  -7.643  -7.643
  225    HD2  PHE  25          2HD       PHE  25   4.343  -4.698  -4.698
  226    HE1  PHE  25          1HE       PHE  25   4.841  -9.447  -9.447
  227    HE2  PHE  25          2HE       PHE  25   3.679  -6.513  -6.513
  228   1HZ   PHE  25           HZ       PHE  25   3.931  -8.890  -8.890
  229    H    LYS  26           H        LYS  26   9.319  -4.820  -4.820
  230    HA   LYS  26           HA       LYS  26   9.908  -5.475  -5.475
  231   1HB   LYS  26          2HB       LYS  26  11.386  -4.340  -4.340
  232   2HB   LYS  26          1HB       LYS  26  11.670  -5.937  -5.937
  233   1HG   LYS  26          2HG       LYS  26  12.814  -6.702  -6.702
  234   2HG   LYS  26          1HG       LYS  26  12.145  -5.429  -5.429
  235   1HD   LYS  26          2HD       LYS  26  13.844  -4.659  -4.659
  236   2HD   LYS  26          1HD       LYS  26  14.628  -5.249  -5.249
  237   1HE   LYS  26          2HE       LYS  26  12.506  -3.233  -3.233
  238   2HE   LYS  26          1HE       LYS  26  13.949  -2.633  -2.633
  239   1HZ   LYS  26          2HZ       LYS  26  14.049  -4.328  -4.328
  240   2HZ   LYS  26          1HZ       LYS  26  14.142  -2.632  -2.632
  241   3HZ   LYS  26          3HZ       LYS  26  15.346  -3.530  -3.530
  242    H    GLY  27           H        GLY  27   9.422  -7.370  -7.370
  243   1HA   GLY  27          2HA       GLY  27   8.994  -9.800  -9.800
  244   2HA   GLY  27          1HA       GLY  27  10.365  -9.873  -9.873
  245    H    ARG  28           H        ARG  28   7.525  -7.897  -7.897
  246    HA   ARG  28           HA       ARG  28   5.992  -7.826  -7.826
  247   1HB   ARG  28          2HB       ARG  28   5.210  -9.764  -9.764
  248   2HB   ARG  28          1HB       ARG  28   6.229 -10.834 -10.834
  249   1HG   ARG  28          2HG       ARG  28   4.397  -9.070  -9.070
  250   2HG   ARG  28          1HG       ARG  28   3.627 -10.344 -10.344
  251   1HD   ARG  28          2HD       ARG  28   5.464 -11.892 -11.892
  252   2HD   ARG  28          1HD       ARG  28   5.561 -10.607 -10.607
  253    HE   ARG  28           HE       ARG  28   3.285 -12.391 -12.391
  254   1HH1  ARG  28          1HH2      ARG  28   4.306  -9.252  -9.252
  255   2HH1  ARG  28          2HH2      ARG  28   2.936  -9.081  -9.081
  256   1HH2  ARG  28          1HH1      ARG  28   1.530 -12.126 -12.126
  257   2HH2  ARG  28          2HH1      ARG  28   1.381 -10.687 -10.687

  Start of MODEL   33
    1   1H    GLN   1          2HT       GLN   1 -10.536   9.293   9.293
    2   2H    GLN   1          1HT       GLN   1  -9.352  10.039  10.039
    3   3H    GLN   1          3HT       GLN   1  -8.915   8.796   8.796
    4    HA   GLN   1           HA       GLN   1  -8.990   7.940   7.940
    5   1HB   GLN   1          2HB       GLN   1 -11.570   9.435   9.435
    6   2HB   GLN   1          1HB       GLN   1 -11.533   8.009   8.009
    7   1HG   GLN   1          2HG       GLN   1  -9.747   8.909   8.909
    8   2HG   GLN   1          1HG       GLN   1  -9.469  10.214  10.214
    9   1HE2  GLN   1          2HE2      GLN   1 -12.681  11.800  11.800
   10   2HE2  GLN   1          1HE2      GLN   1 -11.969  11.258  11.258
   11    H    GLN   2           H        GLN   2  -9.855   5.768   5.768
   12    HA   GLN   2           HA       GLN   2 -10.609   3.658   3.658
   13   1HB   GLN   2          2HB       GLN   2 -12.722   5.230   5.230
   14   2HB   GLN   2          1HB       GLN   2 -12.498   5.009   5.009
   15   1HG   GLN   2          2HG       GLN   2 -12.257   2.430   2.430
   16   2HG   GLN   2          1HG       GLN   2 -13.444   3.089   3.089
   17   1HE2  GLN   2          2HE2      GLN   2 -16.032   3.139   3.139
   18   2HE2  GLN   2          1HE2      GLN   2 -15.572   3.365   3.365
   19    H    TYR   3           H        TYR   3  -8.790   2.959   2.959
   20    HA   TYR   3           HA       TYR   3  -8.496   3.640   3.640
   21   1HB   TYR   3          2HB       TYR   3  -6.631   2.511   2.511
   22   2HB   TYR   3          1HB       TYR   3  -6.170   2.764   2.764
   23    HD1  TYR   3          2HD       TYR   3  -7.645   4.518   4.518
   24    HD2  TYR   3          1HD       TYR   3  -5.438   4.884   4.884
   25    HE1  TYR   3          2HE       TYR   3  -7.326   6.916   6.916
   26    HE2  TYR   3          1HE       TYR   3  -5.093   7.294   7.294
   27    HH   TYR   3           HH       TYR   3  -6.102   9.090   9.090
   28    H    THR   4           H        THR   4  -9.282   2.187   2.187
   29    HA   THR   4           HA       THR   4  -9.924  -0.559  -0.559
   30    HB   THR   4           HB       THR   4  -9.872   0.836   0.836
   31    HG1  THR   4          1HG       THR   4 -11.437   1.936   1.936
   32   1HG2  THR   4          1HG2      THR   4 -10.940  -1.765  -1.765
   33   2HG2  THR   4          3HG2      THR   4 -11.879  -0.900  -0.900
   34   3HG2  THR   4          2HG2      THR   4 -10.218  -1.380  -1.380
   35    H    ALA   5           H        ALA   5  -7.033   0.915   0.915
   36    HA   ALA   5           HA       ALA   5  -5.848  -0.846  -0.846
   37   1HB   ALA   5          2HB       ALA   5  -5.137   1.390   1.390
   38   2HB   ALA   5          1HB       ALA   5  -4.160   0.175   0.175
   39   3HB   ALA   5          3HB       ALA   5  -3.991   0.409   0.409
   40    H    LYS   6           H        LYS   6  -6.520  -3.023  -3.023
   41    HA   LYS   6           HA       LYS   6  -5.650  -4.143  -4.143
   42   1HB   LYS   6          2HB       LYS   6  -7.810  -4.567  -4.567
   43   2HB   LYS   6          1HB       LYS   6  -6.758  -5.714  -5.714
   44   1HG   LYS   6          2HG       LYS   6  -6.325  -6.903  -6.903
   45   2HG   LYS   6          1HG       LYS   6  -7.189  -5.685  -5.685
   46   1HD   LYS   6          2HD       LYS   6  -8.737  -6.892  -6.892
   47   2HD   LYS   6          1HD       LYS   6  -8.329  -7.995  -7.995
   48   1HE   LYS   6          2HE       LYS   6  -9.460  -5.267  -5.267
   49   2HE   LYS   6          1HE       LYS   6 -10.536  -6.615  -6.615
   50   1HZ   LYS   6          3HZ       LYS   6  -8.424  -6.689  -6.689
   51   2HZ   LYS   6          2HZ       LYS   6 -10.091  -6.555  -6.555
   52   3HZ   LYS   6          1HZ       LYS   6  -9.462  -7.967  -7.967
   53    H    ILE   7           H        ILE   7  -3.408  -3.290  -3.290
   54    HA   ILE   7           HA       ILE   7  -2.105  -4.808  -4.808
   55    HB   ILE   7           HB       ILE   7  -1.233  -2.752  -2.752
   56   1HG1  ILE   7          2HG1      ILE   7   0.710  -4.873  -4.873
   57   2HG1  ILE   7          1HG1      ILE   7   0.466  -4.406  -4.406
   58   1HG2  ILE   7          1HG2      ILE   7  -1.817  -3.805  -3.805
   59   2HG2  ILE   7          3HG2      ILE   7  -0.144  -3.247  -3.247
   60   3HG2  ILE   7          2HG2      ILE   7  -1.453  -2.145  -2.145
   61   1HD1  ILE   7          3HD1      ILE   7   0.843  -1.965  -1.965
   62   2HD1  ILE   7          2HD1      ILE   7   1.850  -2.960  -2.960
   63   3HD1  ILE   7          1HD1      ILE   7   2.148  -2.931  -2.931
   64    H    LYS   8           H        LYS   8  -0.544  -5.354  -5.354
   65    HA   LYS   8           HA       LYS   8  -0.005  -8.068  -8.068
   66   1HB   LYS   8          2HB       LYS   8   1.155  -6.571  -6.571
   67   2HB   LYS   8          1HB       LYS   8  -0.274  -6.594  -6.594
   68   1HG   LYS   8          2HG       LYS   8   1.323  -8.212  -8.212
   69   2HG   LYS   8          1HG       LYS   8  -0.047  -9.086  -9.086
   70   1HD   LYS   8          2HD       LYS   8   1.221  -9.438  -9.438
   71   2HD   LYS   8          1HD       LYS   8   2.586  -8.553  -8.553
   72   1HE   LYS   8          2HE       LYS   8   1.420 -11.129 -11.129
   73   2HE   LYS   8          1HE       LYS   8   2.953 -10.981 -10.981
   74   1HZ   LYS   8          3HZ       LYS   8   3.530  -9.212  -9.212
   75   2HZ   LYS   8          2HZ       LYS   8   2.224  -9.802  -9.802
   76   3HZ   LYS   8          1HZ       LYS   8   3.533 -10.817 -10.817
   77    H    GLY   9           H        GLY   9  -2.874  -6.535  -6.535
   78   1HA   GLY   9          2HA       GLY   9  -4.908  -8.084  -8.084
   79   2HA   GLY   9          1HA       GLY   9  -3.995  -9.205  -9.205
   80    H    ARG  10           H        ARG  10  -5.021  -5.765  -5.765
   81    HA   ARG  10           HA       ARG  10  -6.385  -6.048  -6.048
   82   1HB   ARG  10          2HB       ARG  10  -4.669  -4.589  -4.589
   83   2HB   ARG  10          1HB       ARG  10  -4.230  -6.277  -6.277
   84   1HG   ARG  10          2HG       ARG  10  -3.298  -4.875  -4.875
   85   2HG   ARG  10          1HG       ARG  10  -2.881  -3.869  -3.869
   86   1HD   ARG  10          2HD       ARG  10  -2.220  -6.827  -6.827
   87   2HD   ARG  10          1HD       ARG  10  -1.072  -5.492  -5.492
   88    HE   ARG  10           HE       ARG  10  -2.466  -5.225  -5.225
   89   1HH1  ARG  10          1HH2      ARG  10   0.091  -7.016  -7.016
   90   2HH1  ARG  10          2HH2      ARG  10   0.924  -7.325  -7.325
   91   1HH2  ARG  10          1HH1      ARG  10  -1.356  -5.653  -5.653
   92   2HH2  ARG  10          2HH1      ARG  10   0.115  -6.564  -6.564
   93    H    THR  11           H        THR  11  -7.404  -4.112  -4.112
   94    HA   THR  11           HA       THR  11  -7.635  -2.012  -2.012
   95    HB   THR  11           HB       THR  11  -8.875  -2.136  -2.136
   96    HG1  THR  11          1HG       THR  11 -10.325  -3.542  -3.542
   97   1HG2  THR  11          3HG2      THR  11  -9.170  -0.065  -0.065
   98   2HG2  THR  11          2HG2      THR  11  -9.872  -1.025  -1.025
   99   3HG2  THR  11          1HG2      THR  11 -10.696  -0.910  -0.910
  100    H    PHE  12           H        PHE  12  -6.553  -0.025  -0.025
  101    HA   PHE  12           HA       PHE  12  -4.689   0.249   0.249
  102   1HB   PHE  12          2HB       PHE  12  -4.962   1.411   1.411
  103   2HB   PHE  12          1HB       PHE  12  -3.848   2.120   2.120
  104    HD1  PHE  12          1HD       PHE  12  -4.821  -1.383  -1.383
  105    HD2  PHE  12          2HD       PHE  12  -1.662   1.402   1.402
  106    HE1  PHE  12          1HE       PHE  12  -3.153  -3.107  -3.107
  107    HE2  PHE  12          2HE       PHE  12   0.004  -0.352  -0.352
  108   1HZ   PHE  12           HZ       PHE  12  -0.743  -2.605  -2.605
  109    H    ARG  13           H        ARG  13  -4.395   2.421   2.421
  110    HA   ARG  13           HA       ARG  13  -7.018   3.733   3.733
  111   1HB   ARG  13          2HB       ARG  13  -5.580   2.857   2.857
  112   2HB   ARG  13          1HB       ARG  13  -4.325   4.003   4.003
  113   1HG   ARG  13          2HG       ARG  13  -6.471   5.673   5.673
  114   2HG   ARG  13          1HG       ARG  13  -6.873   4.480   4.480
  115   1HD   ARG  13          2HD       ARG  13  -4.244   4.860   4.860
  116   2HD   ARG  13          1HD       ARG  13  -4.667   6.468   6.468
  117    HE   ARG  13           HE       ARG  13  -5.685   5.274   5.274
  118   1HH1  ARG  13          1HH2      ARG  13  -6.397   7.493   7.493
  119   2HH1  ARG  13          2HH2      ARG  13  -7.533   8.393   8.393
  120   1HH2  ARG  13          1HH1      ARG  13  -7.164   6.469   6.469
  121   2HH2  ARG  13          2HH1      ARG  13  -7.964   7.822   7.822
  122    H    ASN  14           H        ASN  14  -3.748   4.464   4.464
  123    HA   ASN  14           HA       ASN  14  -4.800   7.010   7.010
  124   1HB   ASN  14          2HB       ASN  14  -3.025   8.303   8.303
  125   2HB   ASN  14          1HB       ASN  14  -3.911   7.427   7.427
  126   1HD2  ASN  14          2HD2      ASN  14  -1.134   5.418   5.418
  127   2HD2  ASN  14          1HD2      ASN  14  -2.801   5.673   5.673
  128    H    GLU  15           H        GLU  15  -3.477   7.871   7.871
  129    HA   GLU  15           HA       GLU  15  -2.338   5.986   5.986
  130   1HB   GLU  15          2HB       GLU  15  -3.237   8.372   8.372
  131   2HB   GLU  15          1HB       GLU  15  -1.630   8.914   8.914
  132   1HG   GLU  15          2HG       GLU  15  -0.595   7.720   7.720
  133   2HG   GLU  15          1HG       GLU  15  -2.126   6.952   6.952
  134    H    LYS  16           H        LYS  16  -0.772   8.090   8.090
  135    HA   LYS  16           HA       LYS  16   1.936   7.682   7.682
  136   1HB   LYS  16          2HB       LYS  16   0.614   9.041   9.041
  137   2HB   LYS  16          1HB       LYS  16   1.123   7.664   7.664
  138   1HG   LYS  16          2HG       LYS  16   3.370   8.168   8.168
  139   2HG   LYS  16          1HG       LYS  16   3.156   8.959   8.959
  140   1HD   LYS  16          2HD       LYS  16   1.929  10.811  10.811
  141   2HD   LYS  16          1HD       LYS  16   2.401  10.057  10.057
  142   1HE   LYS  16          2HE       LYS  16   4.684  10.523  10.523
  143   2HE   LYS  16          1HE       LYS  16   4.488  10.712  10.712
  144   1HZ   LYS  16          2HZ       LYS  16   2.988  12.617  12.617
  145   2HZ   LYS  16          1HZ       LYS  16   3.451  12.506  12.506
  146   3HZ   LYS  16          3HZ       LYS  16   4.605  12.884  12.884
  147    H    GLU  17           H        GLU  17  -0.244   5.709   5.709
  148    HA   GLU  17           HA       GLU  17   1.632   3.722   3.722
  149   1HB   GLU  17          2HB       GLU  17  -1.027   4.295   4.295
  150   2HB   GLU  17          1HB       GLU  17  -1.129   2.853   2.853
  151   1HG   GLU  17          2HG       GLU  17   0.229   1.588   1.588
  152   2HG   GLU  17          1HG       GLU  17   0.574   3.033   3.033
  153    H    LEU  18           H        LEU  18  -0.392   3.985   3.985
  154    HA   LEU  18           HA       LEU  18   0.238   1.458   1.458
  155   1HB   LEU  18          2HB       LEU  18  -0.777   4.104   4.104
  156   2HB   LEU  18          1HB       LEU  18   0.137   3.330   3.330
  157    HG   LEU  18           HG       LEU  18  -2.102   2.675   2.675
  158   1HD1  LEU  18          1HD1      LEU  18  -0.331   0.769   0.769
  159   2HD1  LEU  18          3HD1      LEU  18  -1.180   0.316   0.316
  160   3HD1  LEU  18          2HD1      LEU  18  -2.038   0.332   0.332
  161   1HD2  LEU  18          2HD2      LEU  18  -2.163   2.539   2.539
  162   2HD2  LEU  18          1HD2      LEU  18  -3.332   3.238   3.238
  163   3HD2  LEU  18          3HD2      LEU  18  -3.263   1.490   1.490
  164    H    ARG  19           H        ARG  19   1.919   4.537   4.537
  165    HA   ARG  19           HA       ARG  19   4.164   3.697   3.697
  166   1HB   ARG  19          2HB       ARG  19   3.459   6.063   6.063
  167   2HB   ARG  19          1HB       ARG  19   5.047   5.924   5.924
  168   1HG   ARG  19          2HG       ARG  19   3.560   5.419   5.419
  169   2HG   ARG  19          1HG       ARG  19   2.374   6.363   6.363
  170   1HD   ARG  19          2HD       ARG  19   4.741   7.830   7.830
  171   2HD   ARG  19          1HD       ARG  19   4.767   7.285   7.285
  172    HE   ARG  19           HE       ARG  19   2.869   9.166   9.166
  173   1HH1  ARG  19          1HH2      ARG  19   3.260   6.633   6.633
  174   2HH1  ARG  19          2HH2      ARG  19   1.986   7.237   7.237
  175   1HH2  ARG  19          1HH1      ARG  19   1.226   9.911   9.911
  176   2HH2  ARG  19          2HH1      ARG  19   0.843   9.072   9.072
  177    H    ASP  20           H        ASP  20   3.397   3.808   3.808
  178    HA   ASP  20           HA       ASP  20   6.180   3.105   3.105
  179   1HB   ASP  20          2HB       ASP  20   3.609   3.484   3.484
  180   2HB   ASP  20          1HB       ASP  20   5.200   3.244   3.244
  181    H    PHE  21           H        PHE  21   3.903   1.320   1.320
  182    HA   PHE  21           HA       PHE  21   3.869  -0.997  -0.997
  183   1HB   PHE  21          2HB       PHE  21   1.942  -0.201  -0.201
  184   2HB   PHE  21          1HB       PHE  21   2.881  -0.731  -0.731
  185    HD1  PHE  21          2HD       PHE  21   3.699  -3.123  -3.123
  186    HD2  PHE  21          1HD       PHE  21   0.742  -1.766  -1.766
  187    HE1  PHE  21          2HE       PHE  21   3.023  -5.470  -5.470
  188    HE2  PHE  21          1HE       PHE  21   0.068  -4.111  -4.111
  189   1HZ   PHE  21           HZ       PHE  21   1.206  -5.966  -5.966
  190    H    ILE  22           H        ILE  22   4.875  -0.309  -0.309
  191    HA   ILE  22           HA       ILE  22   6.389  -2.669  -2.669
  192    HB   ILE  22           HB       ILE  22   6.020  -0.013  -0.013
  193   1HG1  ILE  22          2HG1      ILE  22   6.091  -1.489  -1.489
  194   2HG1  ILE  22          1HG1      ILE  22   6.300  -2.852  -2.852
  195   1HG2  ILE  22          2HG2      ILE  22   8.563  -1.546  -1.546
  196   2HG2  ILE  22          1HG2      ILE  22   7.954  -0.165  -0.165
  197   3HG2  ILE  22          3HG2      ILE  22   8.489   0.044   0.044
  198   1HD1  ILE  22          2HD1      ILE  22   4.199  -1.781  -1.781
  199   2HD1  ILE  22          1HD1      ILE  22   3.920  -1.073  -1.073
  200   3HD1  ILE  22          3HD1      ILE  22   3.990  -2.824  -2.824
  201    H    GLU  23           H        GLU  23   7.181   0.388   0.388
  202    HA   GLU  23           HA       GLU  23  10.005  -0.042  -0.042
  203   1HB   GLU  23          2HB       GLU  23   8.610   2.089   2.089
  204   2HB   GLU  23          1HB       GLU  23   8.177   1.467   1.467
  205   1HG   GLU  23          2HG       GLU  23  11.072   1.389   1.389
  206   2HG   GLU  23          1HG       GLU  23  10.389   3.013   3.013
  207    H    LYS  24           H        LYS  24   7.177  -1.034  -1.034
  208    HA   LYS  24           HA       LYS  24   8.934  -2.462  -2.462
  209   1HB   LYS  24          2HB       LYS  24   7.321  -0.751  -0.751
  210   2HB   LYS  24          1HB       LYS  24   6.001  -1.668  -1.668
  211   1HG   LYS  24          2HG       LYS  24   7.582  -3.458  -3.458
  212   2HG   LYS  24          1HG       LYS  24   7.186  -2.037  -2.037
  213   1HD   LYS  24          2HD       LYS  24   4.980  -3.186  -3.186
  214   2HD   LYS  24          1HD       LYS  24   5.508  -4.131  -4.131
  215   1HE   LYS  24          2HE       LYS  24   4.666  -2.618  -2.618
  216   2HE   LYS  24          1HE       LYS  24   5.167  -1.228  -1.228
  217   1HZ   LYS  24          3HZ       LYS  24   2.915  -3.062  -3.062
  218   2HZ   LYS  24          2HZ       LYS  24   2.753  -1.491  -1.491
  219   3HZ   LYS  24          1HZ       LYS  24   3.400  -1.729  -1.729
  220    H    PHE  25           H        PHE  25   7.988  -3.296  -3.296
  221    HA   PHE  25           HA       PHE  25   6.563  -5.838  -5.838
  222   1HB   PHE  25          2HB       PHE  25   5.188  -4.410  -4.410
  223   2HB   PHE  25          1HB       PHE  25   6.534  -3.949  -3.949
  224    HD1  PHE  25          2HD       PHE  25   5.361  -7.317  -7.317
  225    HD2  PHE  25          1HD       PHE  25   6.015  -4.593  -4.593
  226    HE1  PHE  25          2HE       PHE  25   4.774  -9.105  -9.105
  227    HE2  PHE  25          1HE       PHE  25   5.423  -6.391  -6.391
  228   1HZ   PHE  25           HZ       PHE  25   4.801  -8.649  -8.649
  229    H    LYS  26           H        LYS  26   9.600  -4.883  -4.883
  230    HA   LYS  26           HA       LYS  26  11.579  -5.954  -5.954
  231   1HB   LYS  26          2HB       LYS  26   9.968  -7.922  -7.922
  232   2HB   LYS  26          1HB       LYS  26  10.021  -8.367  -8.367
  233   1HG   LYS  26          2HG       LYS  26  12.655  -7.884  -7.884
  234   2HG   LYS  26          1HG       LYS  26  12.172  -8.445  -8.445
  235   1HD   LYS  26          2HD       LYS  26  11.324 -10.512 -10.512
  236   2HD   LYS  26          1HD       LYS  26  11.506  -9.935  -9.935
  237   1HE   LYS  26          2HE       LYS  26  14.058  -9.615  -9.615
  238   2HE   LYS  26          1HE       LYS  26  13.563 -11.011 -11.011
  239   1HZ   LYS  26          3HZ       LYS  26  13.092 -10.778 -10.778
  240   2HZ   LYS  26          2HZ       LYS  26  14.396 -11.626 -11.626
  241   3HZ   LYS  26          1HZ       LYS  26  12.802 -12.136 -12.136
  242    H    GLY  27           H        GLY  27   9.819  -4.433  -4.433
  243   1HA   GLY  27          2HA       GLY  27  10.777  -5.610  -5.610
  244   2HA   GLY  27          1HA       GLY  27   9.197  -4.836  -4.836
  245    H    ARG  28           H        ARG  28   9.852  -2.648  -2.648
  246    HA   ARG  28           HA       ARG  28  10.593  -0.426  -0.426
  247   1HB   ARG  28          2HB       ARG  28  12.702  -2.106  -2.106
  248   2HB   ARG  28          1HB       ARG  28  13.130  -1.359  -1.359
  249   1HG   ARG  28          2HG       ARG  28  12.956   0.865   0.865
  250   2HG   ARG  28          1HG       ARG  28  12.393   0.182   0.182
  251   1HD   ARG  28          2HD       ARG  28  14.520  -0.883  -0.883
  252   2HD   ARG  28          1HD       ARG  28  15.085  -0.493  -0.493
  253    HE   ARG  28           HE       ARG  28  14.996   1.355   1.355
  254   1HH1  ARG  28          1HH2      ARG  28  14.766   1.093   1.093
  255   2HH1  ARG  28          2HH2      ARG  28  15.277   2.724   2.724
  256   1HH2  ARG  28          1HH1      ARG  28  15.649   3.460   3.460
  257   2HH2  ARG  28          2HH1      ARG  28  15.773   4.051   4.051

  Start of MODEL   34
    1   1H    GLN   1          1HT       GLN   1 -12.289   0.732   0.732
    2   2H    GLN   1          3HT       GLN   1 -12.572   1.163   1.163
    3   3H    GLN   1          2HT       GLN   1 -13.770   0.340   0.340
    4    HA   GLN   1           HA       GLN   1 -14.147   2.224   2.224
    5   1HB   GLN   1          2HB       GLN   1 -14.955   1.922   1.922
    6   2HB   GLN   1          1HB       GLN   1 -13.928   3.329   3.329
    7   1HG   GLN   1          2HG       GLN   1 -15.201   4.276   4.276
    8   2HG   GLN   1          1HG       GLN   1 -16.428   3.111   3.111
    9   1HE2  GLN   1          2HE2      GLN   1 -16.569   6.540   6.540
   10   2HE2  GLN   1          1HE2      GLN   1 -16.123   6.243   6.243
   11    H    GLN   2           H        GLN   2 -11.609   2.908   2.908
   12    HA   GLN   2           HA       GLN   2 -10.816   5.460   5.460
   13   1HB   GLN   2          2HB       GLN   2  -9.504   3.263   3.263
   14   2HB   GLN   2          1HB       GLN   2  -8.622   4.738   4.738
   15   1HG   GLN   2          2HG       GLN   2 -11.204   5.519   5.519
   16   2HG   GLN   2          1HG       GLN   2 -10.562   4.328   4.328
   17   1HE2  GLN   2          2HE2      GLN   2  -8.350   6.644   6.644
   18   2HE2  GLN   2          1HE2      GLN   2  -9.227   5.199   5.199
   19    H    TYR   3           H        TYR   3  -8.568   2.697   2.697
   20    HA   TYR   3           HA       TYR   3  -8.025   3.489   3.489
   21   1HB   TYR   3          2HB       TYR   3  -6.319   2.590   2.590
   22   2HB   TYR   3          1HB       TYR   3  -5.760   2.344   2.344
   23    HD1  TYR   3          1HD       TYR   3  -7.403   4.994   4.994
   24    HD2  TYR   3          2HD       TYR   3  -4.508   4.056   4.056
   25    HE1  TYR   3          1HE       TYR   3  -6.793   7.394   7.394
   26    HE2  TYR   3          2HE       TYR   3  -3.892   6.450   6.450
   27    HH   TYR   3           HH       TYR   3  -4.858   8.754   8.754
   28    H    THR   4           H        THR   4  -9.045   2.040   2.040
   29    HA   THR   4           HA       THR   4  -9.579  -0.707  -0.707
   30    HB   THR   4           HB       THR   4  -9.665   0.581   0.581
   31    HG1  THR   4          1HG       THR   4 -11.870   1.024   1.024
   32   1HG2  THR   4          2HG2      THR   4 -10.723  -1.909  -1.909
   33   2HG2  THR   4          1HG2      THR   4 -11.798  -1.057  -1.057
   34   3HG2  THR   4          3HG2      THR   4 -10.215  -1.604  -1.604
   35    H    ALA   5           H        ALA   5  -6.768   0.799   0.799
   36    HA   ALA   5           HA       ALA   5  -5.699  -1.095  -1.095
   37   1HB   ALA   5          2HB       ALA   5  -4.962   1.304   1.304
   38   2HB   ALA   5          1HB       ALA   5  -3.853   0.216   0.216
   39   3HB   ALA   5          3HB       ALA   5  -3.872   0.275   0.275
   40    H    LYS   6           H        LYS   6  -6.299  -3.196  -3.196
   41    HA   LYS   6           HA       LYS   6  -5.229  -3.991  -3.991
   42   1HB   LYS   6          2HB       LYS   6  -6.784  -5.195  -5.195
   43   2HB   LYS   6          1HB       LYS   6  -6.012  -6.288  -6.288
   44   1HG   LYS   6          2HG       LYS   6  -7.228  -5.399  -5.399
   45   2HG   LYS   6          1HG       LYS   6  -7.717  -3.971  -3.971
   46   1HD   LYS   6          2HD       LYS   6  -9.635  -5.402  -5.402
   47   2HD   LYS   6          1HD       LYS   6  -8.968  -5.550  -5.550
   48   1HE   LYS   6          2HE       LYS   6  -7.820  -7.464  -7.464
   49   2HE   LYS   6          1HE       LYS   6  -9.548  -7.696  -7.696
   50   1HZ   LYS   6          3HZ       LYS   6  -7.468  -7.322  -7.322
   51   2HZ   LYS   6          2HZ       LYS   6  -8.126  -8.823  -8.823
   52   3HZ   LYS   6          1HZ       LYS   6  -9.114  -7.634  -7.634
   53    H    ILE   7           H        ILE   7  -2.945  -3.317  -3.317
   54    HA   ILE   7           HA       ILE   7  -1.406  -4.567  -4.567
   55    HB   ILE   7           HB       ILE   7  -0.729  -3.628  -3.628
   56   1HG1  ILE   7          2HG1      ILE   7  -0.265  -2.242  -2.242
   57   2HG1  ILE   7          1HG1      ILE   7  -1.757  -2.038  -2.038
   58   1HG2  ILE   7          2HG2      ILE   7   1.009  -5.169  -5.169
   59   2HG2  ILE   7          1HG2      ILE   7   1.197  -3.956  -3.956
   60   3HG2  ILE   7          3HG2      ILE   7   1.577  -3.552  -3.552
   61   1HD1  ILE   7          1HD1      ILE   7   0.939  -1.616  -1.616
   62   2HD1  ILE   7          3HD1      ILE   7   0.136  -0.320  -0.320
   63   3HD1  ILE   7          2HD1      ILE   7  -0.636  -1.028  -1.028
   64    H    LYS   8           H        LYS   8  -0.544  -5.544  -5.544
   65    HA   LYS   8           HA       LYS   8  -0.063  -8.267  -8.267
   66   1HB   LYS   8          2HB       LYS   8   0.982  -6.775  -6.775
   67   2HB   LYS   8          1HB       LYS   8  -0.403  -7.282  -7.282
   68   1HG   LYS   8          2HG       LYS   8   1.339  -9.287  -9.287
   69   2HG   LYS   8          1HG       LYS   8   1.742  -8.705  -8.705
   70   1HD   LYS   8          2HD       LYS   8  -0.916  -9.318  -9.318
   71   2HD   LYS   8          1HD       LYS   8  -0.398 -10.548 -10.548
   72   1HE   LYS   8          2HE       LYS   8   1.665 -10.720 -10.720
   73   2HE   LYS   8          1HE       LYS   8   0.401 -10.175 -10.175
   74   1HZ   LYS   8          2HZ       LYS   8  -1.062 -11.898 -11.898
   75   2HZ   LYS   8          1HZ       LYS   8   0.164 -12.439 -12.439
   76   3HZ   LYS   8          3HZ       LYS   8   0.358 -12.584 -12.584
   77    H    GLY   9           H        GLY   9  -2.820  -6.528  -6.528
   78   1HA   GLY   9          2HA       GLY   9  -4.980  -7.857  -7.857
   79   2HA   GLY   9          1HA       GLY   9  -4.263  -9.066  -9.066
   80    H    ARG  10           H        ARG  10  -4.415  -5.498  -5.498
   81    HA   ARG  10           HA       ARG  10  -6.009  -5.669  -5.669
   82   1HB   ARG  10          2HB       ARG  10  -4.112  -3.942  -3.942
   83   2HB   ARG  10          1HB       ARG  10  -4.025  -5.674  -5.674
   84   1HG   ARG  10          2HG       ARG  10  -2.610  -5.876  -5.876
   85   2HG   ARG  10          1HG       ARG  10  -2.589  -4.113  -4.113
   86   1HD   ARG  10          2HD       ARG  10  -1.805  -5.439  -5.439
   87   2HD   ARG  10          1HD       ARG  10  -0.644  -5.400  -5.400
   88    HE   ARG  10           HE       ARG  10  -0.619  -3.012  -3.012
   89   1HH1  ARG  10          1HH2      ARG  10  -2.969  -4.347  -4.347
   90   2HH1  ARG  10          2HH2      ARG  10  -3.158  -2.850  -2.850
   91   1HH2  ARG  10          1HH1      ARG  10  -0.907  -1.108  -1.108
   92   2HH2  ARG  10          2HH1      ARG  10  -2.011  -1.039  -1.039
   93    H    THR  11           H        THR  11  -7.212  -3.843  -3.843
   94    HA   THR  11           HA       THR  11  -7.346  -1.766  -1.766
   95    HB   THR  11           HB       THR  11  -8.732  -1.948  -1.948
   96    HG1  THR  11          1HG       THR  11  -9.937  -3.470  -3.470
   97   1HG2  THR  11          1HG2      THR  11  -8.779   0.116   0.116
   98   2HG2  THR  11          3HG2      THR  11  -9.994  -0.884  -0.884
   99   3HG2  THR  11          2HG2      THR  11 -10.223  -0.388  -0.388
  100    H    PHE  12           H        PHE  12  -6.152   0.155   0.155
  101    HA   PHE  12           HA       PHE  12  -4.512   0.496   0.496
  102   1HB   PHE  12          2HB       PHE  12  -4.571   1.702   1.702
  103   2HB   PHE  12          1HB       PHE  12  -3.459   2.258   2.258
  104    HD1  PHE  12          1HD       PHE  12  -4.642  -0.916  -0.916
  105    HD2  PHE  12          2HD       PHE  12  -1.415   1.171   1.171
  106    HE1  PHE  12          1HE       PHE  12  -3.133  -2.791  -2.791
  107    HE2  PHE  12          2HE       PHE  12   0.104  -0.727  -0.727
  108   1HZ   PHE  12           HZ       PHE  12  -0.765  -2.710  -2.710
  109    H    ARG  13           H        ARG  13  -4.577   2.367   2.367
  110    HA   ARG  13           HA       ARG  13  -7.133   3.746   3.746
  111   1HB   ARG  13          2HB       ARG  13  -5.609   3.090   3.090
  112   2HB   ARG  13          1HB       ARG  13  -4.462   4.308   4.308
  113   1HG   ARG  13          2HG       ARG  13  -6.449   5.962   5.962
  114   2HG   ARG  13          1HG       ARG  13  -7.220   4.715   4.715
  115   1HD   ARG  13          2HD       ARG  13  -4.831   4.747   4.747
  116   2HD   ARG  13          1HD       ARG  13  -4.851   6.418   6.418
  117    HE   ARG  13           HE       ARG  13  -7.407   5.705   5.705
  118   1HH1  ARG  13          1HH2      ARG  13  -4.139   6.649   6.649
  119   2HH1  ARG  13          2HH2      ARG  13  -4.614   7.342   7.342
  120   1HH2  ARG  13          1HH1      ARG  13  -7.974   6.613   6.613
  121   2HH2  ARG  13          2HH1      ARG  13  -6.761   7.323   7.323
  122    H    ASN  14           H        ASN  14  -3.954   4.484   4.484
  123    HA   ASN  14           HA       ASN  14  -5.062   6.847   6.847
  124   1HB   ASN  14          2HB       ASN  14  -3.286   8.305   8.305
  125   2HB   ASN  14          1HB       ASN  14  -4.342   7.676   7.676
  126   1HD2  ASN  14          2HD2      ASN  14  -1.688   6.121   6.121
  127   2HD2  ASN  14          1HD2      ASN  14  -3.279   6.710   6.710
  128    H    GLU  15           H        GLU  15  -3.210   7.822   7.822
  129    HA   GLU  15           HA       GLU  15  -2.097   5.698   5.698
  130   1HB   GLU  15          2HB       GLU  15  -2.891   7.951   7.951
  131   2HB   GLU  15          1HB       GLU  15  -1.495   8.667   8.667
  132   1HG   GLU  15          2HG       GLU  15  -0.015   7.199   7.199
  133   2HG   GLU  15          1HG       GLU  15  -1.450   6.680   6.680
  134    H    LYS  16           H        LYS  16  -0.726   7.993   7.993
  135    HA   LYS  16           HA       LYS  16   2.018   7.590   7.590
  136   1HB   LYS  16          2HB       LYS  16   0.351   7.940   7.940
  137   2HB   LYS  16          1HB       LYS  16   2.107   8.089   8.089
  138   1HG   LYS  16          2HG       LYS  16   0.359   9.684   9.684
  139   2HG   LYS  16          1HG       LYS  16   0.760  10.266  10.266
  140   1HD   LYS  16          2HD       LYS  16   3.215   9.800   9.800
  141   2HD   LYS  16          1HD       LYS  16   2.628   9.708   9.708
  142   1HE   LYS  16          2HE       LYS  16   3.149  11.984  11.984
  143   2HE   LYS  16          1HE       LYS  16   1.450  12.012  12.012
  144   1HZ   LYS  16          1HZ       LYS  16   3.717  11.623  11.623
  145   2HZ   LYS  16          3HZ       LYS  16   3.012  13.135  13.135
  146   3HZ   LYS  16          2HZ       LYS  16   2.087  11.891  11.891
  147    H    GLU  17           H        GLU  17  -0.235   5.588   5.588
  148    HA   GLU  17           HA       GLU  17   1.814   3.670   3.670
  149   1HB   GLU  17          2HB       GLU  17  -0.923   4.256   4.256
  150   2HB   GLU  17          1HB       GLU  17  -0.888   2.604   2.604
  151   1HG   GLU  17          2HG       GLU  17  -0.435   2.122   2.122
  152   2HG   GLU  17          1HG       GLU  17   1.215   2.484   2.484
  153    H    LEU  18           H        LEU  18  -0.599   3.932   3.932
  154    HA   LEU  18           HA       LEU  18  -0.190   1.389   1.389
  155   1HB   LEU  18          2HB       LEU  18  -2.023   3.122   3.122
  156   2HB   LEU  18          1HB       LEU  18  -0.849   4.066   4.066
  157    HG   LEU  18           HG       LEU  18  -0.501   1.968   1.968
  158   1HD1  LEU  18          3HD1      LEU  18  -1.751   0.570   0.570
  159   2HD1  LEU  18          2HD1      LEU  18  -3.216   1.174   1.174
  160   3HD1  LEU  18          1HD1      LEU  18  -2.062   0.213   0.213
  161   1HD2  LEU  18          1HD2      LEU  18  -2.582   3.978   3.978
  162   2HD2  LEU  18          3HD2      LEU  18  -1.725   3.242   3.242
  163   3HD2  LEU  18          2HD2      LEU  18  -3.181   2.482   2.482
  164    H    ARG  19           H        ARG  19   1.712   4.306   4.306
  165    HA   ARG  19           HA       ARG  19   3.487   3.427   3.427
  166   1HB   ARG  19          2HB       ARG  19   3.058   5.987   5.987
  167   2HB   ARG  19          1HB       ARG  19   4.397   5.783   5.783
  168   1HG   ARG  19          2HG       ARG  19   2.605   5.074   5.074
  169   2HG   ARG  19          1HG       ARG  19   1.437   5.760   5.760
  170   1HD   ARG  19          2HD       ARG  19   2.337   7.947   7.947
  171   2HD   ARG  19          1HD       ARG  19   3.838   7.343   7.343
  172    HE   ARG  19           HE       ARG  19   1.345   7.803   7.803
  173   1HH1  ARG  19          1HH2      ARG  19   4.164   5.738   5.738
  174   2HH1  ARG  19          2HH2      ARG  19   4.051   5.302   5.302
  175   1HH2  ARG  19          1HH1      ARG  19   1.237   7.213   7.213
  176   2HH2  ARG  19          2HH1      ARG  19   2.412   6.126   6.126
  177    H    ASP  20           H        ASP  20   3.296   3.649   3.649
  178    HA   ASP  20           HA       ASP  20   6.249   3.248   3.248
  179   1HB   ASP  20          2HB       ASP  20   4.019   4.228   4.228
  180   2HB   ASP  20          1HB       ASP  20   5.521   3.655   3.655
  181    H    PHE  21           H        PHE  21   3.487   1.344   1.344
  182    HA   PHE  21           HA       PHE  21   4.227  -0.609  -0.609
  183   1HB   PHE  21          2HB       PHE  21   1.887  -0.327  -0.327
  184   2HB   PHE  21          1HB       PHE  21   2.134  -0.390  -0.390
  185    HD1  PHE  21          2HD       PHE  21   3.294  -2.576  -2.576
  186    HD2  PHE  21          1HD       PHE  21   1.142  -2.292  -2.292
  187    HE1  PHE  21          2HE       PHE  21   2.981  -5.029  -5.029
  188    HE2  PHE  21          1HE       PHE  21   0.839  -4.752  -4.752
  189   1HZ   PHE  21           HZ       PHE  21   1.749  -6.125  -6.125
  190    H    ILE  22           H        ILE  22   3.888  -0.643  -0.643
  191    HA   ILE  22           HA       ILE  22   5.250  -3.048  -3.048
  192    HB   ILE  22           HB       ILE  22   5.025  -0.483  -0.483
  193   1HG1  ILE  22          2HG1      ILE  22   3.507  -3.095  -3.095
  194   2HG1  ILE  22          1HG1      ILE  22   2.917  -1.656  -1.656
  195   1HG2  ILE  22          2HG2      ILE  22   6.292  -3.102  -3.102
  196   2HG2  ILE  22          1HG2      ILE  22   5.293  -2.372  -2.372
  197   3HG2  ILE  22          3HG2      ILE  22   6.678  -1.493  -1.493
  198   1HD1  ILE  22          1HD1      ILE  22   3.827  -1.362  -1.362
  199   2HD1  ILE  22          3HD1      ILE  22   2.271  -2.139  -2.139
  200   3HD1  ILE  22          2HD1      ILE  22   2.559  -0.495  -0.495
  201    H    GLU  23           H        GLU  23   6.498   0.159   0.159
  202    HA   GLU  23           HA       GLU  23   9.234  -0.247  -0.247
  203   1HB   GLU  23          2HB       GLU  23   7.732   1.515   1.515
  204   2HB   GLU  23          1HB       GLU  23   9.494   1.550   1.550
  205   1HG   GLU  23          2HG       GLU  23   9.264   1.873   1.873
  206   2HG   GLU  23          1HG       GLU  23   7.568   2.236   2.236
  207    H    LYS  24           H        LYS  24   7.394  -0.808  -0.808
  208    HA   LYS  24           HA       LYS  24   9.703  -2.187  -2.187
  209   1HB   LYS  24          2HB       LYS  24   6.938  -1.304  -1.304
  210   2HB   LYS  24          1HB       LYS  24   8.049  -2.193  -2.193
  211   1HG   LYS  24          2HG       LYS  24   9.622  -0.432  -0.432
  212   2HG   LYS  24          1HG       LYS  24   8.916   0.339   0.339
  213   1HD   LYS  24          2HD       LYS  24   6.775   0.535   0.535
  214   2HD   LYS  24          1HD       LYS  24   7.915   0.325   0.325
  215   1HE   LYS  24          2HE       LYS  24   9.240   2.192   2.192
  216   2HE   LYS  24          1HE       LYS  24   7.553   2.642   2.642
  217   1HZ   LYS  24          3HZ       LYS  24   8.696   2.116   2.116
  218   2HZ   LYS  24          2HZ       LYS  24   8.391   3.660   3.660
  219   3HZ   LYS  24          1HZ       LYS  24   7.104   2.595   2.595
  220    H    PHE  25           H        PHE  25   7.850  -3.161  -3.161
  221    HA   PHE  25           HA       PHE  25   7.323  -5.862  -5.862
  222   1HB   PHE  25          2HB       PHE  25   5.202  -4.783  -4.783
  223   2HB   PHE  25          1HB       PHE  25   5.479  -3.942  -3.942
  224    HD1  PHE  25          2HD       PHE  25   5.869  -7.536  -7.536
  225    HD2  PHE  25          1HD       PHE  25   3.867  -4.624  -4.624
  226    HE1  PHE  25          2HE       PHE  25   4.787  -9.361  -9.361
  227    HE2  PHE  25          1HE       PHE  25   2.762  -6.464  -6.464
  228   1HZ   PHE  25           HZ       PHE  25   3.221  -8.831  -8.831
  229    H    LYS  26           H        LYS  26   9.590  -5.021  -5.021
  230    HA   LYS  26           HA       LYS  26   9.134  -5.947  -5.947
  231   1HB   LYS  26          2HB       LYS  26  11.262  -4.560  -4.560
  232   2HB   LYS  26          1HB       LYS  26  11.805  -5.546  -5.546
  233   1HG   LYS  26          2HG       LYS  26   9.506  -3.728  -3.728
  234   2HG   LYS  26          1HG       LYS  26  11.081  -2.965  -2.965
  235   1HD   LYS  26          2HD       LYS  26  12.047  -4.191  -4.191
  236   2HD   LYS  26          1HD       LYS  26  10.670  -5.292  -5.292
  237   1HE   LYS  26          2HE       LYS  26  10.035  -2.402  -2.402
  238   2HE   LYS  26          1HE       LYS  26  10.921  -3.174  -3.174
  239   1HZ   LYS  26          2HZ       LYS  26   8.525  -4.363  -4.363
  240   2HZ   LYS  26          1HZ       LYS  26   8.457  -3.435  -3.435
  241   3HZ   LYS  26          3HZ       LYS  26   9.309  -4.901  -4.901
  242    H    GLY  27           H        GLY  27   8.382  -7.871  -7.871
  243   1HA   GLY  27          2HA       GLY  27   8.795 -10.184 -10.184
  244   2HA   GLY  27          1HA       GLY  27  10.513  -9.889  -9.889
  245    H    ARG  28           H        ARG  28   8.817  -7.795  -7.795
  246    HA   ARG  28           HA       ARG  28   9.156  -7.327  -7.327
  247   1HB   ARG  28          2HB       ARG  28   7.801  -9.481  -9.481
  248   2HB   ARG  28          1HB       ARG  28   9.308 -10.354 -10.354
  249   1HG   ARG  28          2HG       ARG  28   9.435  -9.725  -9.725
  250   2HG   ARG  28          1HG       ARG  28   8.782  -8.117  -8.117
  251   1HD   ARG  28          2HD       ARG  28   6.889 -10.388 -10.388
  252   2HD   ARG  28          1HD       ARG  28   7.354 -10.011 -10.011
  253    HE   ARG  28           HE       ARG  28   6.841  -7.531  -7.531
  254   1HH1  ARG  28          1HH2      ARG  28   5.048 -10.468 -10.468
  255   2HH1  ARG  28          2HH2      ARG  28   3.537  -9.637  -9.637
  256   1HH2  ARG  28          1HH1      ARG  28   4.865  -6.499  -6.499
  257   2HH2  ARG  28          2HH1      ARG  28   3.432  -7.415  -7.415

  Start of MODEL   35
    1   1H    GLN   1          2HT       GLN   1 -13.832   8.523   8.523
    2   2H    GLN   1          1HT       GLN   1 -14.904   7.605   7.605
    3   3H    GLN   1          3HT       GLN   1 -13.598   8.402   8.402
    4    HA   GLN   1           HA       GLN   1 -13.097   6.048   6.048
    5   1HB   GLN   1          2HB       GLN   1 -13.850   6.693   6.693
    6   2HB   GLN   1          1HB       GLN   1 -12.994   5.214   5.214
    7   1HG   GLN   1          2HG       GLN   1 -14.870   4.814   4.814
    8   2HG   GLN   1          1HG       GLN   1 -15.755   6.089   6.089
    9   1HE2  GLN   1          2HE2      GLN   1 -15.907   4.108   4.108
   10   2HE2  GLN   1          1HE2      GLN   1 -15.508   5.689   5.689
   11    H    GLN   2           H        GLN   2 -10.938   5.283   5.283
   12    HA   GLN   2           HA       GLN   2  -9.170   7.515   7.515
   13   1HB   GLN   2          2HB       GLN   2  -9.080   5.738   5.738
   14   2HB   GLN   2          1HB       GLN   2  -7.543   6.135   6.135
   15   1HG   GLN   2          2HG       GLN   2  -7.599   8.273   8.273
   16   2HG   GLN   2          1HG       GLN   2  -9.288   8.475   8.475
   17   1HE2  GLN   2          2HE2      GLN   2 -10.064   8.536   8.536
   18   2HE2  GLN   2          1HE2      GLN   2 -10.101   9.363   9.363
   19    H    TYR   3           H        TYR   3  -7.974   4.279   4.279
   20    HA   TYR   3           HA       TYR   3  -7.593   3.808   3.808
   21   1HB   TYR   3          2HB       TYR   3  -5.816   3.704   3.704
   22   2HB   TYR   3          1HB       TYR   3  -5.587   2.431   2.431
   23    HD1  TYR   3          1HD       TYR   3  -6.349   6.090   6.090
   24    HD2  TYR   3          2HD       TYR   3  -4.006   2.889   2.889
   25    HE1  TYR   3          1HE       TYR   3  -5.267   7.691   7.691
   26    HE2  TYR   3          2HE       TYR   3  -2.882   4.497   4.497
   27    HH   TYR   3           HH       TYR   3  -3.386   7.962   7.962
   28    H    THR   4           H        THR   4  -9.191   2.379   2.379
   29    HA   THR   4           HA       THR   4  -9.844   0.124   0.124
   30    HB   THR   4           HB       THR   4 -10.740   0.689   0.689
   31    HG1  THR   4          1HG       THR   4 -11.970   2.237   2.237
   32   1HG2  THR   4          3HG2      THR   4 -11.285  -1.443  -1.443
   33   2HG2  THR   4          2HG2      THR   4 -12.581  -0.347  -0.347
   34   3HG2  THR   4          1HG2      THR   4 -12.407  -0.820  -0.820
   35    H    ALA   5           H        ALA   5  -7.430   0.704   0.704
   36    HA   ALA   5           HA       ALA   5  -7.219  -1.503  -1.503
   37   1HB   ALA   5          3HB       ALA   5  -5.705   0.612   0.612
   38   2HB   ALA   5          2HB       ALA   5  -4.811  -0.560  -0.560
   39   3HB   ALA   5          1HB       ALA   5  -5.010  -0.819  -0.819
   40    H    LYS   6           H        LYS   6  -5.537  -3.330  -3.330
   41    HA   LYS   6           HA       LYS   6  -5.380  -4.401  -4.401
   42   1HB   LYS   6          2HB       LYS   6  -7.493  -5.026  -5.026
   43   2HB   LYS   6          1HB       LYS   6  -6.385  -6.377  -6.377
   44   1HG   LYS   6          2HG       LYS   6  -7.437  -7.195  -7.195
   45   2HG   LYS   6          1HG       LYS   6  -6.292  -6.153  -6.153
   46   1HD   LYS   6          2HD       LYS   6  -7.947  -4.341  -4.341
   47   2HD   LYS   6          1HD       LYS   6  -9.091  -5.342  -5.342
   48   1HE   LYS   6          2HE       LYS   6  -7.972  -6.585  -6.585
   49   2HE   LYS   6          1HE       LYS   6  -9.069  -5.213  -5.213
   50   1HZ   LYS   6          3HZ       LYS   6 -10.578  -6.272  -6.272
   51   2HZ   LYS   6          2HZ       LYS   6  -9.584  -7.649  -7.649
   52   3HZ   LYS   6          1HZ       LYS   6 -10.407  -7.156  -7.156
   53    H    ILE   7           H        ILE   7  -3.158  -3.607  -3.607
   54    HA   ILE   7           HA       ILE   7  -1.845  -5.110  -5.110
   55    HB   ILE   7           HB       ILE   7  -0.929  -3.081  -3.081
   56   1HG1  ILE   7          2HG1      ILE   7   0.955  -5.190  -5.190
   57   2HG1  ILE   7          1HG1      ILE   7   0.736  -4.839  -4.839
   58   1HG2  ILE   7          1HG2      ILE   7  -1.600  -4.090  -4.090
   59   2HG2  ILE   7          3HG2      ILE   7   0.081  -3.557  -3.557
   60   3HG2  ILE   7          2HG2      ILE   7  -1.201  -2.442  -2.442
   61   1HD1  ILE   7          1HD1      ILE   7   1.523  -2.773  -2.773
   62   2HD1  ILE   7          3HD1      ILE   7   2.671  -3.620  -3.620
   63   3HD1  ILE   7          2HD1      ILE   7   1.462  -2.550  -2.550
   64    H    LYS   8           H        LYS   8  -0.389  -5.686  -5.686
   65    HA   LYS   8           HA       LYS   8   0.053  -8.438  -8.438
   66   1HB   LYS   8          2HB       LYS   8   0.967  -6.570  -6.570
   67   2HB   LYS   8          1HB       LYS   8  -0.058  -7.523  -7.523
   68   1HG   LYS   8          2HG       LYS   8   2.014  -8.752  -8.752
   69   2HG   LYS   8          1HG       LYS   8   2.354  -8.306  -8.306
   70   1HD   LYS   8          2HD       LYS   8   0.351  -9.736  -9.736
   71   2HD   LYS   8          1HD       LYS   8   0.354 -10.343 -10.343
   72   1HE   LYS   8          2HE       LYS   8   2.997 -10.638 -10.638
   73   2HE   LYS   8          1HE       LYS   8   2.219 -10.945 -10.945
   74   1HZ   LYS   8          2HZ       LYS   8   1.267 -12.138 -12.138
   75   2HZ   LYS   8          1HZ       LYS   8   2.367 -12.925 -12.925
   76   3HZ   LYS   8          3HZ       LYS   8   0.805 -12.558 -12.558
   77    H    GLY   9           H        GLY   9  -2.645  -6.698  -6.698
   78   1HA   GLY   9          2HA       GLY   9  -4.774  -8.171  -8.171
   79   2HA   GLY   9          1HA       GLY   9  -3.908  -9.232  -9.232
   80    H    ARG  10           H        ARG  10  -4.506  -5.699  -5.699
   81    HA   ARG  10           HA       ARG  10  -5.885  -5.692  -5.692
   82   1HB   ARG  10          2HB       ARG  10  -4.083  -4.025  -4.025
   83   2HB   ARG  10          1HB       ARG  10  -3.738  -5.753  -5.753
   84   1HG   ARG  10          2HG       ARG  10  -2.878  -4.683  -4.683
   85   2HG   ARG  10          1HG       ARG  10  -2.194  -3.729  -3.729
   86   1HD   ARG  10          2HD       ARG  10  -2.038  -6.761  -6.761
   87   2HD   ARG  10          1HD       ARG  10  -0.717  -5.643  -5.643
   88    HE   ARG  10           HE       ARG  10  -1.509  -4.833  -4.833
   89   1HH1  ARG  10          1HH2      ARG  10  -0.506  -7.888  -7.888
   90   2HH1  ARG  10          2HH2      ARG  10   0.165  -8.453  -8.453
   91   1HH2  ARG  10          1HH1      ARG  10  -0.628  -5.603  -5.603
   92   2HH2  ARG  10          2HH1      ARG  10   0.097  -7.175  -7.175
   93    H    THR  11           H        THR  11  -6.981  -3.777  -3.777
   94    HA   THR  11           HA       THR  11  -7.188  -1.846  -1.846
   95    HB   THR  11           HB       THR  11  -8.585  -1.986  -1.986
   96    HG1  THR  11          1HG       THR  11  -9.335  -3.763  -3.763
   97   1HG2  THR  11          2HG2      THR  11  -8.900  -0.368  -0.368
   98   2HG2  THR  11          1HG2      THR  11 -10.382  -0.924  -0.924
   99   3HG2  THR  11          3HG2      THR  11  -9.232   0.064   0.064
  100    H    PHE  12           H        PHE  12  -5.908   0.020   0.020
  101    HA   PHE  12           HA       PHE  12  -4.356   0.547   0.547
  102   1HB   PHE  12          2HB       PHE  12  -4.360   1.548   1.548
  103   2HB   PHE  12          1HB       PHE  12  -3.277   2.205   2.205
  104    HD1  PHE  12          1HD       PHE  12  -4.421  -1.115  -1.115
  105    HD2  PHE  12          2HD       PHE  12  -1.223   1.171   1.171
  106    HE1  PHE  12          1HE       PHE  12  -2.901  -3.012  -3.012
  107    HE2  PHE  12          2HE       PHE  12   0.311  -0.757  -0.757
  108   1HZ   PHE  12           HZ       PHE  12  -0.534  -2.847  -2.847
  109    H    ARG  13           H        ARG  13  -4.583   2.355   2.355
  110    HA   ARG  13           HA       ARG  13  -7.079   3.805   3.805
  111   1HB   ARG  13          2HB       ARG  13  -4.579   3.591   3.591
  112   2HB   ARG  13          1HB       ARG  13  -5.249   5.221   5.221
  113   1HG   ARG  13          2HG       ARG  13  -7.417   4.339   4.339
  114   2HG   ARG  13          1HG       ARG  13  -6.774   2.696   2.696
  115   1HD   ARG  13          2HD       ARG  13  -4.949   3.551   3.551
  116   2HD   ARG  13          1HD       ARG  13  -6.025   4.940   4.940
  117    HE   ARG  13           HE       ARG  13  -7.476   3.511   3.511
  118   1HH1  ARG  13          1HH2      ARG  13  -5.388   1.623   1.623
  119   2HH1  ARG  13          2HH2      ARG  13  -5.999   0.116   0.116
  120   1HH2  ARG  13          1HH1      ARG  13  -8.237   1.537   1.537
  121   2HH2  ARG  13          2HH1      ARG  13  -7.596   0.065   0.065
  122    H    ASN  14           H        ASN  14  -3.987   4.378   4.378
  123    HA   ASN  14           HA       ASN  14  -5.043   6.652   6.652
  124   1HB   ASN  14          2HB       ASN  14  -3.419   8.274   8.274
  125   2HB   ASN  14          1HB       ASN  14  -4.547   7.680   7.680
  126   1HD2  ASN  14          2HD2      ASN  14  -1.997   6.314   6.314
  127   2HD2  ASN  14          1HD2      ASN  14  -3.629   6.757   6.757
  128    H    GLU  15           H        GLU  15  -3.221   7.563   7.563
  129    HA   GLU  15           HA       GLU  15  -1.864   5.450   5.450
  130   1HB   GLU  15          2HB       GLU  15  -2.572   7.860   7.860
  131   2HB   GLU  15          1HB       GLU  15  -0.995   8.325   8.325
  132   1HG   GLU  15          2HG       GLU  15   0.106   6.707   6.707
  133   2HG   GLU  15          1HG       GLU  15  -1.464   6.204   6.204
  134    H    LYS  16           H        LYS  16  -0.720   7.831   7.831
  135    HA   LYS  16           HA       LYS  16   2.035   7.388   7.388
  136   1HB   LYS  16          2HB       LYS  16   0.341   8.852   8.852
  137   2HB   LYS  16          1HB       LYS  16   0.607   7.565   7.565
  138   1HG   LYS  16          2HG       LYS  16   2.861   8.064   8.064
  139   2HG   LYS  16          1HG       LYS  16   2.981   8.779   8.779
  140   1HD   LYS  16          2HD       LYS  16   1.179  10.464  10.464
  141   2HD   LYS  16          1HD       LYS  16   2.174  10.021  10.021
  142   1HE   LYS  16          2HE       LYS  16   4.099  10.477  10.477
  143   2HE   LYS  16          1HE       LYS  16   2.867  11.678  11.678
  144   1HZ   LYS  16          1HZ       LYS  16   2.752  12.337  12.337
  145   2HZ   LYS  16          3HZ       LYS  16   3.974  11.227  11.227
  146   3HZ   LYS  16          2HZ       LYS  16   4.320  12.553  12.553
  147    H    GLU  17           H        GLU  17  -0.432   5.485   5.485
  148    HA   GLU  17           HA       GLU  17   1.426   3.630   3.630
  149   1HB   GLU  17          2HB       GLU  17  -1.286   4.181   4.181
  150   2HB   GLU  17          1HB       GLU  17  -1.259   2.624   2.624
  151   1HG   GLU  17          2HG       GLU  17   0.495   2.046   2.046
  152   2HG   GLU  17          1HG       GLU  17  -0.400   3.306   3.306
  153    H    LEU  18           H        LEU  18  -0.394   3.668   3.668
  154    HA   LEU  18           HA       LEU  18   0.334   1.085   1.085
  155   1HB   LEU  18          2HB       LEU  18  -1.223   3.139   3.139
  156   2HB   LEU  18          1HB       LEU  18   0.185   3.444   3.444
  157    HG   LEU  18           HG       LEU  18   0.008   0.847   0.847
  158   1HD1  LEU  18          1HD1      LEU  18  -2.576   1.581   1.581
  159   2HD1  LEU  18          3HD1      LEU  18  -2.672   0.578   0.578
  160   3HD1  LEU  18          2HD1      LEU  18  -1.748   0.024   0.024
  161   1HD2  LEU  18          2HD2      LEU  18  -1.497   3.159   3.159
  162   2HD2  LEU  18          1HD2      LEU  18  -0.194   2.202   2.202
  163   3HD2  LEU  18          3HD2      LEU  18  -1.827   1.540   1.540
  164    H    ARG  19           H        ARG  19   2.098   4.085   4.085
  165    HA   ARG  19           HA       ARG  19   4.356   3.155   3.155
  166   1HB   ARG  19          2HB       ARG  19   3.489   5.442   5.442
  167   2HB   ARG  19          1HB       ARG  19   3.718   5.739   5.739
  168   1HG   ARG  19          2HG       ARG  19   5.986   6.005   6.005
  169   2HG   ARG  19          1HG       ARG  19   6.113   4.791   4.791
  170   1HD   ARG  19          2HD       ARG  19   4.668   6.705   6.705
  171   2HD   ARG  19          1HD       ARG  19   5.664   7.711   7.711
  172    HE   ARG  19           HE       ARG  19   6.652   6.115   6.115
  173   1HH1  ARG  19          1HH2      ARG  19   7.437   7.318   7.318
  174   2HH1  ARG  19          2HH2      ARG  19   9.141   7.246   7.246
  175   1HH2  ARG  19          1HH1      ARG  19   8.864   6.038   6.038
  176   2HH2  ARG  19          2HH1      ARG  19   9.943   6.530   6.530
  177    H    ASP  20           H        ASP  20   3.401   3.575   3.575
  178    HA   ASP  20           HA       ASP  20   6.175   3.260   3.260
  179   1HB   ASP  20          2HB       ASP  20   3.491   3.996   3.996
  180   2HB   ASP  20          1HB       ASP  20   4.541   3.170   3.170
  181    H    PHE  21           H        PHE  21   3.405   1.265   1.265
  182    HA   PHE  21           HA       PHE  21   4.145  -0.935  -0.935
  183   1HB   PHE  21          2HB       PHE  21   1.840  -0.698  -0.698
  184   2HB   PHE  21          1HB       PHE  21   2.236  -0.488  -0.488
  185    HD1  PHE  21          2HD       PHE  21   3.194  -3.022  -3.022
  186    HD2  PHE  21          1HD       PHE  21   1.495  -2.266  -2.266
  187    HE1  PHE  21          2HE       PHE  21   3.012  -5.456  -5.456
  188    HE2  PHE  21          1HE       PHE  21   1.328  -4.706  -4.706
  189   1HZ   PHE  21           HZ       PHE  21   2.075  -6.308  -6.308
  190    H    ILE  22           H        ILE  22   4.217  -0.344  -0.344
  191    HA   ILE  22           HA       ILE  22   5.667  -2.654  -2.654
  192    HB   ILE  22           HB       ILE  22   5.575   0.123   0.123
  193   1HG1  ILE  22          2HG1      ILE  22   4.042  -2.404  -2.404
  194   2HG1  ILE  22          1HG1      ILE  22   3.396  -1.064  -1.064
  195   1HG2  ILE  22          2HG2      ILE  22   6.439  -2.505  -2.505
  196   2HG2  ILE  22          1HG2      ILE  22   6.259  -0.976  -0.976
  197   3HG2  ILE  22          3HG2      ILE  22   7.503  -1.149  -1.149
  198   1HD1  ILE  22          1HD1      ILE  22   4.282   0.299   0.299
  199   2HD1  ILE  22          3HD1      ILE  22   3.908  -1.247  -1.247
  200   3HD1  ILE  22          2HD1      ILE  22   2.652  -0.366  -0.366
  201    H    GLU  23           H        GLU  23   6.723   0.374   0.374
  202    HA   GLU  23           HA       GLU  23   9.527   0.172   0.172
  203   1HB   GLU  23          2HB       GLU  23   8.270   2.185   2.185
  204   2HB   GLU  23          1HB       GLU  23   8.090   1.373   1.373
  205   1HG   GLU  23          2HG       GLU  23  10.650   1.146   1.146
  206   2HG   GLU  23          1HG       GLU  23  10.634   2.321   2.321
  207    H    LYS  24           H        LYS  24   7.456  -0.948  -0.948
  208    HA   LYS  24           HA       LYS  24   9.676  -2.431  -2.431
  209   1HB   LYS  24          2HB       LYS  24   6.742  -1.930  -1.930
  210   2HB   LYS  24          1HB       LYS  24   7.748  -2.972  -2.972
  211   1HG   LYS  24          2HG       LYS  24   9.360  -0.818  -0.818
  212   2HG   LYS  24          1HG       LYS  24   7.802  -0.013  -0.013
  213   1HD   LYS  24          2HD       LYS  24   7.866  -0.061  -0.061
  214   2HD   LYS  24          1HD       LYS  24   7.169  -1.659  -1.659
  215   1HE   LYS  24          2HE       LYS  24   8.956  -2.177  -2.177
  216   2HE   LYS  24          1HE       LYS  24   9.723  -2.387  -2.387
  217   1HZ   LYS  24          3HZ       LYS  24   9.686   0.161   0.161
  218   2HZ   LYS  24          2HZ       LYS  24  11.004  -0.912  -0.912
  219   3HZ   LYS  24          1HZ       LYS  24  10.497  -0.128  -0.128
  220    H    PHE  25           H        PHE  25   8.002  -3.025  -3.025
  221    HA   PHE  25           HA       PHE  25   7.784  -5.947  -5.947
  222   1HB   PHE  25          2HB       PHE  25   5.556  -5.119  -5.119
  223   2HB   PHE  25          1HB       PHE  25   5.865  -3.932  -3.932
  224    HD1  PHE  25          2HD       PHE  25   6.171  -7.632  -7.632
  225    HD2  PHE  25          1HD       PHE  25   4.903  -4.373  -4.373
  226    HE1  PHE  25          2HE       PHE  25   5.396  -9.245  -9.245
  227    HE2  PHE  25          1HE       PHE  25   4.116  -5.999  -5.999
  228   1HZ   PHE  25           HZ       PHE  25   4.362  -8.437  -8.437
  229    H    LYS  26           H        LYS  26   7.078  -4.063  -4.063
  230    HA   LYS  26           HA       LYS  26   8.020  -4.136  -4.136
  231   1HB   LYS  26          2HB       LYS  26   9.885  -3.302  -3.302
  232   2HB   LYS  26          1HB       LYS  26  10.764  -4.468  -4.468
  233   1HG   LYS  26          2HG       LYS  26  10.757  -3.116  -3.116
  234   2HG   LYS  26          1HG       LYS  26   9.109  -2.561  -2.561
  235   1HD   LYS  26          2HD       LYS  26  10.318  -0.615  -0.615
  236   2HD   LYS  26          1HD       LYS  26  10.215  -1.308  -1.308
  237   1HE   LYS  26          2HE       LYS  26  12.454  -1.921  -1.921
  238   2HE   LYS  26          1HE       LYS  26  12.530  -2.106  -2.106
  239   1HZ   LYS  26          1HZ       LYS  26  12.069   0.498   0.498
  240   2HZ   LYS  26          3HZ       LYS  26  13.610  -0.040  -0.040
  241   3HZ   LYS  26          2HZ       LYS  26  12.417   0.227   0.227
  242    H    GLY  27           H        GLY  27   7.223  -6.611  -6.611
  243   1HA   GLY  27          2HA       GLY  27   7.278  -8.855  -8.855
  244   2HA   GLY  27          1HA       GLY  27   8.794  -8.517  -8.517
  245    H    ARG  28           H        ARG  28   8.150  -7.607  -7.607
  246    HA   ARG  28           HA       ARG  28   9.316  -8.036  -8.036
  247   1HB   ARG  28          2HB       ARG  28   7.889 -10.141 -10.141
  248   2HB   ARG  28          1HB       ARG  28   9.468 -10.886 -10.886
  249   1HG   ARG  28          2HG       ARG  28   8.973 -11.396 -11.396
  250   2HG   ARG  28          1HG       ARG  28  10.026  -9.986  -9.986
  251   1HD   ARG  28          2HD       ARG  28   8.284  -8.568  -8.568
  252   2HD   ARG  28          1HD       ARG  28   7.057  -9.555  -9.555
  253    HE   ARG  28           HE       ARG  28   8.405 -10.965 -10.965
  254   1HH1  ARG  28          1HH2      ARG  28   5.766  -8.827  -8.827
  255   2HH1  ARG  28          2HH2      ARG  28   4.826  -9.286  -9.286
  256   1HH2  ARG  28          1HH1      ARG  28   7.156 -11.525 -11.525
  257   2HH2  ARG  28          2HH1      ARG  28   5.601 -10.797 -10.797

  Start of MODEL   36
    1   1H    GLN   1          2HT       GLN   1 -14.097   6.981   6.981
    2   2H    GLN   1          1HT       GLN   1 -13.956   5.414   5.414
    3   3H    GLN   1          3HT       GLN   1 -15.075   5.725   5.725
    4    HA   GLN   1           HA       GLN   1 -13.340   6.100   6.100
    5   1HB   GLN   1          2HB       GLN   1 -13.202   3.671   3.671
    6   2HB   GLN   1          1HB       GLN   1 -12.232   3.778   3.778
    7   1HG   GLN   1          2HG       GLN   1 -15.242   4.128   4.128
    8   2HG   GLN   1          1HG       GLN   1 -14.428   2.629   2.629
    9   1HE2  GLN   1          2HE2      GLN   1 -13.052   4.129   4.129
   10   2HE2  GLN   1          1HE2      GLN   1 -12.524   3.174   3.174
   11    H    GLN   2           H        GLN   2 -10.905   5.758   5.758
   12    HA   GLN   2           HA       GLN   2  -9.394   7.489   7.489
   13   1HB   GLN   2          2HB       GLN   2  -9.035   5.937   5.937
   14   2HB   GLN   2          1HB       GLN   2  -7.557   6.228   6.228
   15   1HG   GLN   2          2HG       GLN   2  -7.811   8.089   8.089
   16   2HG   GLN   2          1HG       GLN   2  -8.238   8.673   8.673
   17   1HE2  GLN   2          2HE2      GLN   2 -11.707   9.072   9.072
   18   2HE2  GLN   2          1HE2      GLN   2 -10.599   8.869   8.869
   19    H    TYR   3           H        TYR   3  -8.058   4.312   4.312
   20    HA   TYR   3           HA       TYR   3  -7.667   3.773   3.773
   21   1HB   TYR   3          2HB       TYR   3  -5.868   3.791   3.791
   22   2HB   TYR   3          1HB       TYR   3  -5.593   2.537   2.537
   23    HD1  TYR   3          2HD       TYR   3  -6.438   6.179   6.179
   24    HD2  TYR   3          1HD       TYR   3  -4.114   3.044   3.044
   25    HE1  TYR   3          2HE       TYR   3  -5.399   7.835   7.835
   26    HE2  TYR   3          1HE       TYR   3  -3.040   4.706   4.706
   27    HH   TYR   3           HH       TYR   3  -4.205   7.560   7.560
   28    H    THR   4           H        THR   4  -8.974   2.098   2.098
   29    HA   THR   4           HA       THR   4  -9.399  -0.110  -0.110
   30    HB   THR   4           HB       THR   4 -10.708   0.361   0.361
   31    HG1  THR   4          1HG       THR   4 -12.168   1.636   1.636
   32   1HG2  THR   4          2HG2      THR   4 -10.964  -1.841  -1.841
   33   2HG2  THR   4          1HG2      THR   4 -11.824  -0.920  -0.920
   34   3HG2  THR   4          3HG2      THR   4 -12.465  -1.008  -1.008
   35    H    ALA   5           H        ALA   5  -7.382   0.637   0.637
   36    HA   ALA   5           HA       ALA   5  -7.245  -1.630  -1.630
   37   1HB   ALA   5          3HB       ALA   5  -5.867   0.699   0.699
   38   2HB   ALA   5          2HB       ALA   5  -4.670  -0.464  -0.464
   39   3HB   ALA   5          1HB       ALA   5  -5.332  -0.610  -0.610
   40    H    LYS   6           H        LYS   6  -7.238  -3.714  -3.714
   41    HA   LYS   6           HA       LYS   6  -5.742  -4.381  -4.381
   42   1HB   LYS   6          2HB       LYS   6  -8.024  -5.317  -5.317
   43   2HB   LYS   6          1HB       LYS   6  -6.844  -6.620  -6.620
   44   1HG   LYS   6          2HG       LYS   6  -6.511  -6.047  -6.047
   45   2HG   LYS   6          1HG       LYS   6  -8.164  -5.457  -5.457
   46   1HD   LYS   6          2HD       LYS   6  -8.470  -7.787  -7.787
   47   2HD   LYS   6          1HD       LYS   6  -7.109  -8.241  -8.241
   48   1HE   LYS   6          2HE       LYS   6  -9.616  -6.918  -6.918
   49   2HE   LYS   6          1HE       LYS   6  -9.377  -8.676  -8.676
   50   1HZ   LYS   6          3HZ       LYS   6  -7.302  -8.390  -8.390
   51   2HZ   LYS   6          2HZ       LYS   6  -7.526  -6.707  -6.707
   52   3HZ   LYS   6          1HZ       LYS   6  -8.584  -7.729  -7.729
   53    H    ILE   7           H        ILE   7  -3.795  -3.536  -3.536
   54    HA   ILE   7           HA       ILE   7  -2.680  -5.020  -5.020
   55    HB   ILE   7           HB       ILE   7  -1.780  -2.923  -2.923
   56   1HG1  ILE   7          2HG1      ILE   7   0.338  -4.938  -4.938
   57   2HG1  ILE   7          1HG1      ILE   7  -0.107  -4.541  -4.541
   58   1HG2  ILE   7          3HG2      ILE   7  -2.011  -3.928  -3.928
   59   2HG2  ILE   7          2HG2      ILE   7  -0.394  -3.272  -3.272
   60   3HG2  ILE   7          1HG2      ILE   7  -1.812  -2.265  -2.265
   61   1HD1  ILE   7          2HD1      ILE   7   0.710  -2.404  -2.404
   62   2HD1  ILE   7          1HD1      ILE   7   1.904  -3.288  -3.288
   63   3HD1  ILE   7          3HD1      ILE   7   0.675  -2.317  -2.317
   64    H    LYS   8           H        LYS   8  -0.765  -5.437  -5.437
   65    HA   LYS   8           HA       LYS   8  -0.229  -8.174  -8.174
   66   1HB   LYS   8          2HB       LYS   8   1.129  -6.525  -6.525
   67   2HB   LYS   8          1HB       LYS   8  -0.067  -6.695  -6.695
   68   1HG   LYS   8          2HG       LYS   8   1.789  -8.203  -8.203
   69   2HG   LYS   8          1HG       LYS   8   0.369  -9.156  -9.156
   70   1HD   LYS   8          2HD       LYS   8   2.005  -8.384  -8.384
   71   2HD   LYS   8          1HD       LYS   8   2.861  -9.406  -9.406
   72   1HE   LYS   8          2HE       LYS   8   0.609 -10.817 -10.817
   73   2HE   LYS   8          1HE       LYS   8   0.438 -10.042 -10.042
   74   1HZ   LYS   8          3HZ       LYS   8   2.950 -11.332 -11.332
   75   2HZ   LYS   8          2HZ       LYS   8   1.769 -12.152 -12.152
   76   3HZ   LYS   8          1HZ       LYS   8   2.565 -10.803 -10.803
   77    H    GLY   9           H        GLY   9  -2.858  -6.567  -6.567
   78   1HA   GLY   9          2HA       GLY   9  -4.880  -8.181  -8.181
   79   2HA   GLY   9          1HA       GLY   9  -3.816  -9.137  -9.137
   80    H    ARG  10           H        ARG  10  -4.295  -5.597  -5.597
   81    HA   ARG  10           HA       ARG  10  -5.551  -5.590  -5.590
   82   1HB   ARG  10          2HB       ARG  10  -3.631  -3.760  -3.760
   83   2HB   ARG  10          1HB       ARG  10  -3.455  -5.462  -5.462
   84   1HG   ARG  10          2HG       ARG  10  -2.148  -5.864  -5.864
   85   2HG   ARG  10          1HG       ARG  10  -2.445  -4.217  -4.217
   86   1HD   ARG  10          2HD       ARG  10  -0.352  -3.938  -3.938
   87   2HD   ARG  10          1HD       ARG  10  -1.396  -3.618  -3.618
   88    HE   ARG  10           HE       ARG  10  -0.782  -6.456  -6.456
   89   1HH1  ARG  10          1HH2      ARG  10   0.216  -3.468  -3.468
   90   2HH1  ARG  10          2HH2      ARG  10   1.106  -4.282  -4.282
   91   1HH2  ARG  10          1HH1      ARG  10   0.382  -7.464  -7.464
   92   2HH2  ARG  10          2HH1      ARG  10   1.202  -6.520  -6.520
   93    H    THR  11           H        THR  11  -6.740  -3.771  -3.771
   94    HA   THR  11           HA       THR  11  -7.106  -1.826  -1.826
   95    HB   THR  11           HB       THR  11  -8.415  -1.987  -1.987
   96    HG1  THR  11          1HG       THR  11  -9.055  -3.354  -3.354
   97   1HG2  THR  11          2HG2      THR  11  -8.684  -0.074  -0.074
   98   2HG2  THR  11          1HG2      THR  11  -9.892  -1.220  -1.220
   99   3HG2  THR  11          3HG2      THR  11 -10.008  -0.567  -0.567
  100    H    PHE  12           H        PHE  12  -5.884   0.089   0.089
  101    HA   PHE  12           HA       PHE  12  -4.332   0.658   0.658
  102   1HB   PHE  12          2HB       PHE  12  -4.375   1.743   1.743
  103   2HB   PHE  12          1HB       PHE  12  -3.251   2.295   2.295
  104    HD1  PHE  12          2HD       PHE  12  -4.446  -0.794  -0.794
  105    HD2  PHE  12          1HD       PHE  12  -1.298   1.074   1.074
  106    HE1  PHE  12          2HE       PHE  12  -2.987  -2.716  -2.716
  107    HE2  PHE  12          1HE       PHE  12   0.173  -0.871  -0.871
  108   1HZ   PHE  12           HZ       PHE  12  -0.676  -2.767  -2.767
  109    H    ARG  13           H        ARG  13  -4.662   2.435   2.435
  110    HA   ARG  13           HA       ARG  13  -7.210   3.802   3.802
  111   1HB   ARG  13          2HB       ARG  13  -4.605   4.291   4.291
  112   2HB   ARG  13          1HB       ARG  13  -6.140   5.060   5.060
  113   1HG   ARG  13          2HG       ARG  13  -7.135   2.766   2.766
  114   2HG   ARG  13          1HG       ARG  13  -5.518   2.095   2.095
  115   1HD   ARG  13          2HD       ARG  13  -5.406   2.309   2.309
  116   2HD   ARG  13          1HD       ARG  13  -5.059   4.013   4.013
  117    HE   ARG  13           HE       ARG  13  -7.246   4.558   4.558
  118   1HH1  ARG  13          1HH2      ARG  13  -7.005   1.124   1.124
  119   2HH1  ARG  13          2HH2      ARG  13  -8.600   0.805   0.805
  120   1HH2  ARG  13          1HH1      ARG  13  -9.304   4.098   4.098
  121   2HH2  ARG  13          2HH1      ARG  13  -9.888   2.468   2.468
  122    H    ASN  14           H        ASN  14  -4.056   4.505   4.505
  123    HA   ASN  14           HA       ASN  14  -5.124   6.815   6.815
  124   1HB   ASN  14          2HB       ASN  14  -3.457   8.375   8.375
  125   2HB   ASN  14          1HB       ASN  14  -4.600   7.767   7.767
  126   1HD2  ASN  14          2HD2      ASN  14  -2.035   6.444   6.444
  127   2HD2  ASN  14          1HD2      ASN  14  -3.619   7.045   7.045
  128    H    GLU  15           H        GLU  15  -3.383   7.692   7.692
  129    HA   GLU  15           HA       GLU  15  -2.031   5.623   5.623
  130   1HB   GLU  15          2HB       GLU  15  -2.737   8.049   8.049
  131   2HB   GLU  15          1HB       GLU  15  -1.156   8.500   8.500
  132   1HG   GLU  15          2HG       GLU  15  -0.060   6.942   6.942
  133   2HG   GLU  15          1HG       GLU  15  -1.631   6.433   6.433
  134    H    LYS  16           H        LYS  16  -0.852   7.914   7.914
  135    HA   LYS  16           HA       LYS  16   1.902   7.507   7.507
  136   1HB   LYS  16          2HB       LYS  16   0.256   8.908   8.908
  137   2HB   LYS  16          1HB       LYS  16   0.448   7.549   7.549
  138   1HG   LYS  16          2HG       LYS  16   2.752   7.916   7.916
  139   2HG   LYS  16          1HG       LYS  16   2.863   8.852   8.852
  140   1HD   LYS  16          2HD       LYS  16   1.309  10.550  10.550
  141   2HD   LYS  16          1HD       LYS  16   1.690   9.697   9.697
  142   1HE   LYS  16          2HE       LYS  16   4.199  10.014  10.014
  143   2HE   LYS  16          1HE       LYS  16   3.427  11.450  11.450
  144   1HZ   LYS  16          2HZ       LYS  16   2.496  11.966  11.966
  145   2HZ   LYS  16          1HZ       LYS  16   3.278  10.616  10.616
  146   3HZ   LYS  16          3HZ       LYS  16   4.192  11.911  11.911
  147    H    GLU  17           H        GLU  17  -0.485   5.498   5.498
  148    HA   GLU  17           HA       GLU  17   1.450   3.613   3.613
  149   1HB   GLU  17          2HB       GLU  17  -1.460   3.984   3.984
  150   2HB   GLU  17          1HB       GLU  17  -0.997   2.286   2.286
  151   1HG   GLU  17          2HG       GLU  17   0.199   2.383   2.383
  152   2HG   GLU  17          1HG       GLU  17   0.054   4.139   4.139
  153    H    LEU  18           H        LEU  18  -0.671   3.615   3.615
  154    HA   LEU  18           HA       LEU  18   0.091   1.102   1.102
  155   1HB   LEU  18          2HB       LEU  18  -1.716   2.838   2.838
  156   2HB   LEU  18          1HB       LEU  18  -0.426   3.636   3.636
  157    HG   LEU  18           HG       LEU  18  -0.051   1.110   1.110
  158   1HD1  LEU  18          2HD1      LEU  18  -2.876   1.315   1.315
  159   2HD1  LEU  18          1HD1      LEU  18  -2.555   0.414   0.414
  160   3HD1  LEU  18          3HD1      LEU  18  -1.782  -0.067  -0.067
  161   1HD2  LEU  18          1HD2      LEU  18  -0.712   3.406   3.406
  162   2HD2  LEU  18          3HD2      LEU  18  -0.878   1.876   1.876
  163   3HD2  LEU  18          2HD2      LEU  18  -2.290   2.627   2.627
  164    H    ARG  19           H        ARG  19   1.766   4.158   4.158
  165    HA   ARG  19           HA       ARG  19   3.889   3.342   3.342
  166   1HB   ARG  19          2HB       ARG  19   2.916   5.609   5.609
  167   2HB   ARG  19          1HB       ARG  19   3.350   5.863   5.863
  168   1HG   ARG  19          2HG       ARG  19   5.768   5.397   5.397
  169   2HG   ARG  19          1HG       ARG  19   5.207   5.536   5.536
  170   1HD   ARG  19          2HD       ARG  19   4.102   7.790   7.790
  171   2HD   ARG  19          1HD       ARG  19   5.619   7.657   7.657
  172    HE   ARG  19           HE       ARG  19   5.390   8.181   8.181
  173   1HH1  ARG  19          1HH2      ARG  19   7.403   6.836   6.836
  174   2HH1  ARG  19          2HH2      ARG  19   8.860   7.066   7.066
  175   1HH2  ARG  19          1HH1      ARG  19   7.301   8.457   8.457
  176   2HH2  ARG  19          2HH1      ARG  19   8.806   7.971   7.971
  177    H    ASP  20           H        ASP  20   3.213   3.522   3.522
  178    HA   ASP  20           HA       ASP  20   6.085   3.317   3.317
  179   1HB   ASP  20          2HB       ASP  20   4.467   4.783   4.783
  180   2HB   ASP  20          1HB       ASP  20   3.557   3.345   3.345
  181    H    PHE  21           H        PHE  21   3.314   1.248   1.248
  182    HA   PHE  21           HA       PHE  21   4.231  -0.958  -0.958
  183   1HB   PHE  21          2HB       PHE  21   1.910  -0.893  -0.893
  184   2HB   PHE  21          1HB       PHE  21   2.163  -0.491  -0.491
  185    HD1  PHE  21          1HD       PHE  21   3.649  -3.189  -3.189
  186    HD2  PHE  21          2HD       PHE  21   1.229  -2.202  -2.202
  187    HE1  PHE  21          1HE       PHE  21   3.581  -5.569  -5.569
  188    HE2  PHE  21          2HE       PHE  21   1.155  -4.600  -4.600
  189   1HZ   PHE  21           HZ       PHE  21   2.328  -6.291  -6.291
  190    H    ILE  22           H        ILE  22   4.345  -0.128  -0.128
  191    HA   ILE  22           HA       ILE  22   5.682  -2.457  -2.457
  192    HB   ILE  22           HB       ILE  22   4.684  -0.081  -0.081
  193   1HG1  ILE  22          2HG1      ILE  22   5.397  -1.188  -1.188
  194   2HG1  ILE  22          1HG1      ILE  22   6.087  -2.456  -2.456
  195   1HG2  ILE  22          1HG2      ILE  22   7.091   0.822   0.822
  196   2HG2  ILE  22          3HG2      ILE  22   7.504  -0.289  -0.289
  197   3HG2  ILE  22          2HG2      ILE  22   6.326   0.995   0.995
  198   1HD1  ILE  22          2HD1      ILE  22   3.832  -2.650  -2.650
  199   2HD1  ILE  22          1HD1      ILE  22   3.194  -1.561  -1.561
  200   3HD1  ILE  22          3HD1      ILE  22   3.843  -3.134  -3.134
  201    H    GLU  23           H        GLU  23   6.881   0.518   0.518
  202    HA   GLU  23           HA       GLU  23   9.677   0.171   0.171
  203   1HB   GLU  23          2HB       GLU  23   8.370   2.181   2.181
  204   2HB   GLU  23          1HB       GLU  23   8.313   1.349   1.349
  205   1HG   GLU  23          2HG       GLU  23  10.237   2.632   2.632
  206   2HG   GLU  23          1HG       GLU  23  10.919   1.130   1.130
  207    H    LYS  24           H        LYS  24   7.487  -0.960  -0.960
  208    HA   LYS  24           HA       LYS  24   9.658  -2.563  -2.563
  209   1HB   LYS  24          2HB       LYS  24   6.779  -1.920  -1.920
  210   2HB   LYS  24          1HB       LYS  24   7.857  -2.894  -2.894
  211   1HG   LYS  24          2HG       LYS  24   9.480  -0.858  -0.858
  212   2HG   LYS  24          1HG       LYS  24   8.034   0.038   0.038
  213   1HD   LYS  24          2HD       LYS  24   7.020  -0.233  -0.233
  214   2HD   LYS  24          1HD       LYS  24   7.926  -1.702  -1.702
  215   1HE   LYS  24          2HE       LYS  24   9.937   0.197   0.197
  216   2HE   LYS  24          1HE       LYS  24   8.628   1.093   1.093
  217   1HZ   LYS  24          3HZ       LYS  24   9.537  -1.618  -1.618
  218   2HZ   LYS  24          2HZ       LYS  24  10.023  -0.183  -0.183
  219   3HZ   LYS  24          1HZ       LYS  24   8.391  -0.655  -0.655
  220    H    PHE  25           H        PHE  25   7.964  -3.070  -3.070
  221    HA   PHE  25           HA       PHE  25   6.792  -5.725  -5.725
  222   1HB   PHE  25          2HB       PHE  25   5.511  -4.116  -4.116
  223   2HB   PHE  25          1HB       PHE  25   6.864  -3.863  -3.863
  224    HD1  PHE  25          2HD       PHE  25   5.664  -7.157  -7.157
  225    HD2  PHE  25          1HD       PHE  25   5.905  -4.438  -4.438
  226    HE1  PHE  25          2HE       PHE  25   4.812  -8.934  -8.934
  227    HE2  PHE  25          1HE       PHE  25   5.056  -6.216  -6.216
  228   1HZ   PHE  25           HZ       PHE  25   4.508  -8.463  -8.463
  229    H    LYS  26           H        LYS  26   9.825  -4.589  -4.589
  230    HA   LYS  26           HA       LYS  26  11.777  -5.632  -5.632
  231   1HB   LYS  26          2HB       LYS  26  10.028  -7.710  -7.710
  232   2HB   LYS  26          1HB       LYS  26  10.738  -8.256  -8.256
  233   1HG   LYS  26          2HG       LYS  26  12.934  -8.105  -8.105
  234   2HG   LYS  26          1HG       LYS  26  12.464  -7.019  -7.019
  235   1HD   LYS  26          2HD       LYS  26  11.463  -9.867  -9.867
  236   2HD   LYS  26          1HD       LYS  26  12.939  -9.433  -9.433
  237   1HE   LYS  26          2HE       LYS  26  11.633  -7.842  -7.842
  238   2HE   LYS  26          1HE       LYS  26  10.152  -8.369  -8.369
  239   1HZ   LYS  26          2HZ       LYS  26  12.054 -10.192 -10.192
  240   2HZ   LYS  26          1HZ       LYS  26  10.600  -9.638  -9.638
  241   3HZ   LYS  26          3HZ       LYS  26  10.566 -10.619 -10.619
  242    H    GLY  27           H        GLY  27   9.815  -4.318  -4.318
  243   1HA   GLY  27          2HA       GLY  27  10.817  -5.200  -5.200
  244   2HA   GLY  27          1HA       GLY  27   9.086  -5.467  -5.467
  245    H    ARG  28           H        ARG  28  11.261  -2.828  -2.828
  246    HA   ARG  28           HA       ARG  28   9.442  -0.706  -0.706
  247   1HB   ARG  28          2HB       ARG  28  11.492   0.687   0.687
  248   2HB   ARG  28          1HB       ARG  28  11.681  -0.601  -0.601
  249   1HG   ARG  28          2HG       ARG  28  12.635  -1.939  -1.939
  250   2HG   ARG  28          1HG       ARG  28  12.947  -0.315  -0.315
  251   1HD   ARG  28          2HD       ARG  28  13.750  -0.867  -0.867
  252   2HD   ARG  28          1HD       ARG  28  14.743  -1.575  -1.575
  253    HE   ARG  28           HE       ARG  28  14.569   1.247   1.247
  254   1HH1  ARG  28          1HH2      ARG  28  14.890  -1.022  -1.022
  255   2HH1  ARG  28          2HH2      ARG  28  15.716   0.114   0.114
  256   1HH2  ARG  28          1HH1      ARG  28  15.638   2.686   2.686
  257   2HH2  ARG  28          2HH1      ARG  28  16.136   2.191   2.191

  Start of MODEL   37
    1   1H    GLN   1          1HT       GLN   1 -12.279   5.999   5.999
    2   2H    GLN   1          3HT       GLN   1 -12.326   5.705   5.705
    3   3H    GLN   1          2HT       GLN   1 -13.691   6.337   6.337
    4    HA   GLN   1           HA       GLN   1 -12.604   8.414   8.414
    5   1HB   GLN   1          2HB       GLN   1 -12.580   7.144   7.144
    6   2HB   GLN   1          1HB       GLN   1 -11.957   8.786   8.786
    7   1HG   GLN   1          2HG       GLN   1 -14.614   8.056   8.056
    8   2HG   GLN   1          1HG       GLN   1 -14.503   8.441   8.441
    9   1HE2  GLN   1          2HE2      GLN   1 -15.020  11.563  11.563
   10   2HE2  GLN   1          1HE2      GLN   1 -15.790  10.050  10.050
   11    H    GLN   2           H        GLN   2 -10.435   6.151   6.151
   12    HA   GLN   2           HA       GLN   2  -8.091   7.786   7.786
   13   1HB   GLN   2          2HB       GLN   2  -8.532   5.692   5.692
   14   2HB   GLN   2          1HB       GLN   2  -6.963   6.419   6.419
   15   1HG   GLN   2          2HG       GLN   2  -9.293   8.241   8.241
   16   2HG   GLN   2          1HG       GLN   2  -8.568   7.452   7.452
   17   1HE2  GLN   2          2HE2      GLN   2  -6.122   9.982   9.982
   18   2HE2  GLN   2          1HE2      GLN   2  -7.296   9.092   9.092
   19    H    TYR   3           H        TYR   3  -7.919   4.327   4.327
   20    HA   TYR   3           HA       TYR   3  -7.406   3.715   3.715
   21   1HB   TYR   3          2HB       TYR   3  -5.566   3.694   3.694
   22   2HB   TYR   3          1HB       TYR   3  -5.475   2.293   2.293
   23    HD1  TYR   3          1HD       TYR   3  -5.534   6.028   6.028
   24    HD2  TYR   3          2HD       TYR   3  -4.295   2.406   2.406
   25    HE1  TYR   3          1HE       TYR   3  -4.324   7.362   7.362
   26    HE2  TYR   3          2HE       TYR   3  -3.062   3.738   3.738
   27    HH   TYR   3           HH       TYR   3  -3.514   7.078   7.078
   28    H    THR   4           H        THR   4  -9.057   2.271   2.271
   29    HA   THR   4           HA       THR   4  -9.705   0.216   0.216
   30    HB   THR   4           HB       THR   4 -10.805   0.641   0.641
   31    HG1  THR   4          1HG       THR   4 -11.635   1.788   1.788
   32   1HG2  THR   4          2HG2      THR   4 -11.657  -0.856  -0.856
   33   2HG2  THR   4          1HG2      THR   4 -12.889  -0.219  -0.219
   34   3HG2  THR   4          3HG2      THR   4 -11.693  -1.368  -1.368
   35    H    ALA   5           H        ALA   5  -7.491   0.535   0.535
   36    HA   ALA   5           HA       ALA   5  -7.495  -1.860  -1.860
   37   1HB   ALA   5          2HB       ALA   5  -5.910   0.332   0.332
   38   2HB   ALA   5          1HB       ALA   5  -4.878  -0.869  -0.869
   39   3HB   ALA   5          3HB       ALA   5  -5.427  -1.119  -1.119
   40    H    LYS   6           H        LYS   6  -6.123  -3.795  -3.795
   41    HA   LYS   6           HA       LYS   6  -5.549  -4.470  -4.470
   42   1HB   LYS   6          2HB       LYS   6  -7.122  -6.009  -6.009
   43   2HB   LYS   6          1HB       LYS   6  -6.530  -6.751  -6.751
   44   1HG   LYS   6          2HG       LYS   6  -7.900  -5.399  -5.399
   45   2HG   LYS   6          1HG       LYS   6  -8.171  -4.222  -4.222
   46   1HD   LYS   6          2HD       LYS   6 -10.184  -5.413  -5.413
   47   2HD   LYS   6          1HD       LYS   6  -9.263  -6.242  -6.242
   48   1HE   LYS   6          2HE       LYS   6  -8.637  -8.016  -8.016
   49   2HE   LYS   6          1HE       LYS   6  -9.352  -7.143  -7.143
   50   1HZ   LYS   6          2HZ       LYS   6 -11.479  -7.144  -7.144
   51   2HZ   LYS   6          1HZ       LYS   6 -10.763  -8.197  -8.197
   52   3HZ   LYS   6          3HZ       LYS   6 -10.969  -8.691  -8.691
   53    H    ILE   7           H        ILE   7  -3.397  -3.745  -3.745
   54    HA   ILE   7           HA       ILE   7  -2.130  -5.345  -5.345
   55    HB   ILE   7           HB       ILE   7  -1.224  -3.251  -3.251
   56   1HG1  ILE   7          2HG1      ILE   7   0.724  -5.297  -5.297
   57   2HG1  ILE   7          1HG1      ILE   7   0.458  -4.975  -4.975
   58   1HG2  ILE   7          1HG2      ILE   7  -1.768  -4.125  -4.125
   59   2HG2  ILE   7          3HG2      ILE   7  -0.105  -3.546  -3.546
   60   3HG2  ILE   7          2HG2      ILE   7  -1.438  -2.498  -2.498
   61   1HD1  ILE   7          2HD1      ILE   7   1.138  -2.744  -2.744
   62   2HD1  ILE   7          1HD1      ILE   7   2.405  -3.738  -3.738
   63   3HD1  ILE   7          3HD1      ILE   7   1.330  -2.794  -2.794
   64    H    LYS   8           H        LYS   8  -0.544  -5.696  -5.696
   65    HA   LYS   8           HA       LYS   8  -0.064  -8.469  -8.469
   66   1HB   LYS   8          2HB       LYS   8   1.045  -6.641  -6.641
   67   2HB   LYS   8          1HB       LYS   8  -0.194  -7.079  -7.079
   68   1HG   LYS   8          2HG       LYS   8   1.542  -9.172  -9.172
   69   2HG   LYS   8          1HG       LYS   8   2.065  -8.322  -8.322
   70   1HD   LYS   8          2HD       LYS   8  -0.480  -9.033  -9.033
   71   2HD   LYS   8          1HD       LYS   8  -0.025 -10.388 -10.388
   72   1HE   LYS   8          2HE       LYS   8   2.148 -10.518 -10.518
   73   2HE   LYS   8          1HE       LYS   8   1.350  -9.437  -9.437
   74   1HZ   LYS   8          2HZ       LYS   8   0.241 -12.004 -12.004
   75   2HZ   LYS   8          1HZ       LYS   8   0.913 -11.765 -11.765
   76   3HZ   LYS   8          3HZ       LYS   8  -0.517 -10.963 -10.963
   77    H    GLY   9           H        GLY   9  -2.824  -6.719  -6.719
   78   1HA   GLY   9          2HA       GLY   9  -4.915  -8.209  -8.209
   79   2HA   GLY   9          1HA       GLY   9  -4.015  -9.212  -9.212
   80    H    ARG  10           H        ARG  10  -4.439  -5.672  -5.672
   81    HA   ARG  10           HA       ARG  10  -5.854  -5.538  -5.538
   82   1HB   ARG  10          2HB       ARG  10  -3.890  -3.764  -3.764
   83   2HB   ARG  10          1HB       ARG  10  -3.853  -5.446  -5.446
   84   1HG   ARG  10          2HG       ARG  10  -2.513  -5.918  -5.918
   85   2HG   ARG  10          1HG       ARG  10  -2.369  -4.168  -4.168
   86   1HD   ARG  10          2HD       ARG  10  -0.449  -4.610  -4.610
   87   2HD   ARG  10          1HD       ARG  10  -1.604  -4.374  -4.374
   88    HE   ARG  10           HE       ARG  10  -1.560  -7.115  -7.115
   89   1HH1  ARG  10          1HH2      ARG  10  -0.108  -4.860  -4.860
   90   2HH1  ARG  10          2HH2      ARG  10   0.441  -6.111  -6.111
   91   1HH2  ARG  10          1HH1      ARG  10  -0.830  -8.703  -8.703
   92   2HH2  ARG  10          2HH1      ARG  10   0.039  -8.263  -8.263
   93    H    THR  11           H        THR  11  -7.043  -3.681  -3.681
   94    HA   THR  11           HA       THR  11  -7.087  -1.805  -1.805
   95    HB   THR  11           HB       THR  11  -9.177  -2.655  -2.655
   96    HG1  THR  11          1HG       THR  11  -9.920  -0.784  -0.784
   97   1HG2  THR  11          3HG2      THR  11  -7.786  -2.294  -2.294
   98   2HG2  THR  11          2HG2      THR  11  -9.067  -1.085  -1.085
   99   3HG2  THR  11          1HG2      THR  11  -9.467  -2.789  -2.789
  100    H    PHE  12           H        PHE  12  -5.884   0.096   0.096
  101    HA   PHE  12           HA       PHE  12  -4.418   0.692   0.692
  102   1HB   PHE  12          2HB       PHE  12  -4.293   1.665   1.665
  103   2HB   PHE  12          1HB       PHE  12  -3.231   2.267   2.267
  104    HD1  PHE  12          1HD       PHE  12  -4.404  -0.927  -0.927
  105    HD2  PHE  12          2HD       PHE  12  -1.296   1.082   1.082
  106    HE1  PHE  12          1HE       PHE  12  -2.954  -2.893  -2.893
  107    HE2  PHE  12          2HE       PHE  12   0.162  -0.901  -0.901
  108   1HZ   PHE  12           HZ       PHE  12  -0.667  -2.893  -2.893
  109    H    ARG  13           H        ARG  13  -4.968   2.297   2.297
  110    HA   ARG  13           HA       ARG  13  -7.367   3.840   3.840
  111   1HB   ARG  13          2HB       ARG  13  -6.506   4.936   4.936
  112   2HB   ARG  13          1HB       ARG  13  -6.338   3.184   3.184
  113   1HG   ARG  13          2HG       ARG  13  -3.957   3.840   3.840
  114   2HG   ARG  13          1HG       ARG  13  -4.244   5.279   5.279
  115   1HD   ARG  13          2HD       ARG  13  -4.776   3.633   3.633
  116   2HD   ARG  13          1HD       ARG  13  -3.971   2.416   2.416
  117    HE   ARG  13           HE       ARG  13  -1.926   3.481   3.481
  118   1HH1  ARG  13          1HH2      ARG  13  -4.565   5.718   5.718
  119   2HH1  ARG  13          2HH2      ARG  13  -3.521   6.971   6.971
  120   1HH2  ARG  13          1HH1      ARG  13  -0.613   5.131   5.131
  121   2HH2  ARG  13          2HH1      ARG  13  -1.308   6.645   6.645
  122    H    ASN  14           H        ASN  14  -4.229   4.372   4.372
  123    HA   ASN  14           HA       ASN  14  -5.020   6.778   6.778
  124   1HB   ASN  14          2HB       ASN  14  -3.239   8.212   8.212
  125   2HB   ASN  14          1HB       ASN  14  -4.850   8.020   8.020
  126   1HD2  ASN  14          2HD2      ASN  14  -2.281   5.429   5.429
  127   2HD2  ASN  14          1HD2      ASN  14  -2.558   5.304   5.304
  128    H    GLU  15           H        GLU  15  -3.202   7.747   7.747
  129    HA   GLU  15           HA       GLU  15  -1.638   5.859   5.859
  130   1HB   GLU  15          2HB       GLU  15  -2.248   8.506   8.506
  131   2HB   GLU  15          1HB       GLU  15  -0.539   8.586   8.586
  132   1HG   GLU  15          2HG       GLU  15  -0.104   6.918   6.918
  133   2HG   GLU  15          1HG       GLU  15  -1.789   7.123   7.123
  134    H    LYS  16           H        LYS  16  -0.688   7.952   7.952
  135    HA   LYS  16           HA       LYS  16   2.041   7.509   7.509
  136   1HB   LYS  16          2HB       LYS  16   0.590   8.943   8.943
  137   2HB   LYS  16          1HB       LYS  16   0.036   7.489   7.489
  138   1HG   LYS  16          2HG       LYS  16   1.999   7.227   7.227
  139   2HG   LYS  16          1HG       LYS  16   2.978   7.802   7.802
  140   1HD   LYS  16          2HD       LYS  16   1.207   9.810   9.810
  141   2HD   LYS  16          1HD       LYS  16   2.594   9.259   9.259
  142   1HE   LYS  16          2HE       LYS  16   4.116   9.851   9.851
  143   2HE   LYS  16          1HE       LYS  16   2.735  10.366  10.366
  144   1HZ   LYS  16          1HZ       LYS  16   2.117  11.912  11.912
  145   2HZ   LYS  16          3HZ       LYS  16   3.508  11.473  11.473
  146   3HZ   LYS  16          2HZ       LYS  16   3.654  12.264  12.264
  147    H    GLU  17           H        GLU  17  -0.500   5.360   5.360
  148    HA   GLU  17           HA       GLU  17   1.371   3.394   3.394
  149   1HB   GLU  17          2HB       GLU  17  -1.272   3.912   3.912
  150   2HB   GLU  17          1HB       GLU  17  -1.376   2.605   2.605
  151   1HG   GLU  17          2HG       GLU  17   0.559   1.920   1.920
  152   2HG   GLU  17          1HG       GLU  17  -0.964   2.380   2.380
  153    H    LEU  18           H        LEU  18  -0.511   3.692   3.692
  154    HA   LEU  18           HA       LEU  18   0.328   1.236   1.236
  155   1HB   LEU  18          2HB       LEU  18  -1.392   3.213   3.213
  156   2HB   LEU  18          1HB       LEU  18  -0.037   3.734   3.734
  157    HG   LEU  18           HG       LEU  18  -0.018   1.157   1.157
  158   1HD1  LEU  18          2HD1      LEU  18  -2.663   1.643   1.643
  159   2HD1  LEU  18          1HD1      LEU  18  -2.663   0.728   0.728
  160   3HD1  LEU  18          3HD1      LEU  18  -1.730   0.150   0.150
  161   1HD2  LEU  18          3HD2      LEU  18  -1.290   3.569   3.569
  162   2HD2  LEU  18          2HD2      LEU  18  -0.374   2.323   2.323
  163   3HD2  LEU  18          1HD2      LEU  18  -2.096   2.100   2.100
  164    H    ARG  19           H        ARG  19   1.963   4.255   4.255
  165    HA   ARG  19           HA       ARG  19   4.185   3.627   3.627
  166   1HB   ARG  19          2HB       ARG  19   3.204   5.881   5.881
  167   2HB   ARG  19          1HB       ARG  19   3.493   6.006   6.006
  168   1HG   ARG  19          2HG       ARG  19   5.282   7.191   7.191
  169   2HG   ARG  19          1HG       ARG  19   5.964   5.668   5.668
  170   1HD   ARG  19          2HD       ARG  19   6.337   4.901   4.901
  171   2HD   ARG  19          1HD       ARG  19   4.814   5.580   5.580
  172    HE   ARG  19           HE       ARG  19   5.995   7.534   7.534
  173   1HH1  ARG  19          1HH2      ARG  19   7.771   5.754   5.754
  174   2HH1  ARG  19          2HH2      ARG  19   9.112   6.842   6.842
  175   1HH2  ARG  19          1HH1      ARG  19   7.754   8.916   8.916
  176   2HH2  ARG  19          2HH1      ARG  19   9.108   8.612   8.612
  177    H    ASP  20           H        ASP  20   3.336   3.508   3.508
  178    HA   ASP  20           HA       ASP  20   6.201   3.211   3.211
  179   1HB   ASP  20          2HB       ASP  20   3.618   3.935   3.935
  180   2HB   ASP  20          1HB       ASP  20   4.751   3.048   3.048
  181    H    PHE  21           H        PHE  21   3.346   1.299   1.299
  182    HA   PHE  21           HA       PHE  21   4.214  -0.994  -0.994
  183   1HB   PHE  21          2HB       PHE  21   1.856  -0.645  -0.645
  184   2HB   PHE  21          1HB       PHE  21   2.072  -0.459  -0.459
  185    HD1  PHE  21          1HD       PHE  21   3.050  -2.974  -2.974
  186    HD2  PHE  21          2HD       PHE  21   1.352  -2.263  -2.263
  187    HE1  PHE  21          1HE       PHE  21   2.800  -5.412  -5.412
  188    HE2  PHE  21          2HE       PHE  21   1.113  -4.703  -4.703
  189   1HZ   PHE  21           HZ       PHE  21   1.825  -6.284  -6.284
  190    H    ILE  22           H        ILE  22   4.067  -0.104  -0.104
  191    HA   ILE  22           HA       ILE  22   5.249  -2.501  -2.501
  192    HB   ILE  22           HB       ILE  22   5.262   0.309   0.309
  193   1HG1  ILE  22          2HG1      ILE  22   3.390  -2.027  -2.027
  194   2HG1  ILE  22          1HG1      ILE  22   3.008  -0.630  -0.630
  195   1HG2  ILE  22          2HG2      ILE  22   6.921  -1.302  -1.302
  196   2HG2  ILE  22          1HG2      ILE  22   5.553  -2.322  -2.322
  197   3HG2  ILE  22          3HG2      ILE  22   5.700  -0.701  -0.701
  198   1HD1  ILE  22          2HD1      ILE  22   3.426   0.833   0.833
  199   2HD1  ILE  22          1HD1      ILE  22   3.581  -0.635  -0.635
  200   3HD1  ILE  22          3HD1      ILE  22   2.048  -0.254  -0.254
  201    H    GLU  23           H        GLU  23   6.608   0.449   0.449
  202    HA   GLU  23           HA       GLU  23   9.332   0.084   0.084
  203   1HB   GLU  23          2HB       GLU  23   7.825   1.564   1.564
  204   2HB   GLU  23          1HB       GLU  23   9.579   1.444   1.444
  205   1HG   GLU  23          2HG       GLU  23   9.751   2.283   2.283
  206   2HG   GLU  23          1HG       GLU  23   8.019   2.604   2.604
  207    H    LYS  24           H        LYS  24   7.459  -0.943  -0.943
  208    HA   LYS  24           HA       LYS  24   9.703  -2.522  -2.522
  209   1HB   LYS  24          2HB       LYS  24   7.995  -1.112  -1.112
  210   2HB   LYS  24          1HB       LYS  24   6.807  -2.354  -2.354
  211   1HG   LYS  24          2HG       LYS  24   7.556  -3.133  -3.133
  212   2HG   LYS  24          1HG       LYS  24   8.670  -3.973  -3.973
  213   1HD   LYS  24          2HD       LYS  24  10.436  -2.487  -2.487
  214   2HD   LYS  24          1HD       LYS  24   9.349  -1.246  -1.246
  215   1HE   LYS  24          2HE       LYS  24   9.282  -3.843  -3.843
  216   2HE   LYS  24          1HE       LYS  24  10.767  -2.887  -2.887
  217   1HZ   LYS  24          3HZ       LYS  24   8.021  -1.791  -1.791
  218   2HZ   LYS  24          2HZ       LYS  24   9.009  -2.250  -2.250
  219   3HZ   LYS  24          1HZ       LYS  24   9.477  -0.970  -0.970
  220    H    PHE  25           H        PHE  25   7.729  -3.031  -3.031
  221    HA   PHE  25           HA       PHE  25   6.917  -5.830  -5.830
  222   1HB   PHE  25          2HB       PHE  25   5.314  -4.278  -4.278
  223   2HB   PHE  25          1HB       PHE  25   6.462  -3.798  -3.798
  224    HD1  PHE  25          2HD       PHE  25   5.792  -7.295  -7.295
  225    HD2  PHE  25          1HD       PHE  25   5.242  -4.274  -4.274
  226    HE1  PHE  25          2HE       PHE  25   4.886  -9.010  -9.010
  227    HE2  PHE  25          1HE       PHE  25   4.334  -5.993  -5.993
  228   1HZ   PHE  25           HZ       PHE  25   4.154  -8.359  -8.359
  229    H    LYS  26           H        LYS  26   9.717  -4.407  -4.407
  230    HA   LYS  26           HA       LYS  26  11.616  -5.194  -5.194
  231   1HB   LYS  26          2HB       LYS  26  10.512  -7.386  -7.386
  232   2HB   LYS  26          1HB       LYS  26  10.226  -7.776  -7.776
  233   1HG   LYS  26          2HG       LYS  26  12.475  -7.958  -7.958
  234   2HG   LYS  26          1HG       LYS  26  12.943  -6.793  -6.793
  235   1HD   LYS  26          2HD       LYS  26  11.969  -8.679  -8.679
  236   2HD   LYS  26          1HD       LYS  26  12.399  -9.718  -9.718
  237   1HE   LYS  26          2HE       LYS  26  14.708  -8.852  -8.852
  238   2HE   LYS  26          1HE       LYS  26  14.285  -7.782  -7.782
  239   1HZ   LYS  26          1HZ       LYS  26  13.497  -9.796  -9.796
  240   2HZ   LYS  26          3HZ       LYS  26  14.161 -10.749 -10.749
  241   3HZ   LYS  26          2HZ       LYS  26  15.173  -9.780  -9.780
  242    H    GLY  27           H        GLY  27   9.235  -3.931  -3.931
  243   1HA   GLY  27          2HA       GLY  27   9.785  -4.826  -4.826
  244   2HA   GLY  27          1HA       GLY  27   8.153  -4.411  -4.411
  245    H    ARG  28           H        ARG  28   8.829  -2.164  -2.164
  246    HA   ARG  28           HA       ARG  28   9.085   0.161   0.161
  247   1HB   ARG  28          2HB       ARG  28  11.354  -1.092  -1.092
  248   2HB   ARG  28          1HB       ARG  28  11.158   0.658   0.658
  249   1HG   ARG  28          2HG       ARG  28  11.003   0.583   0.583
  250   2HG   ARG  28          1HG       ARG  28  11.631  -1.060  -1.060
  251   1HD   ARG  28          2HD       ARG  28  13.671  -0.306  -0.306
  252   2HD   ARG  28          1HD       ARG  28  13.014   1.321   1.321
  253    HE   ARG  28           HE       ARG  28  12.740   0.970   0.970
  254   1HH1  ARG  28          1HH2      ARG  28  15.429   0.674   0.674
  255   2HH1  ARG  28          2HH2      ARG  28  16.596   1.102   1.102
  256   1HH2  ARG  28          1HH1      ARG  28  14.285   1.518   1.518
  257   2HH2  ARG  28          2HH1      ARG  28  15.958   1.575   1.575

  Start of MODEL   38
    1   1H    GLN   1          3HT       GLN   1 -14.907   3.818   3.818
    2   2H    GLN   1          2HT       GLN   1 -15.279   2.369   2.369
    3   3H    GLN   1          1HT       GLN   1 -14.264   3.516   3.516
    4    HA   GLN   1           HA       GLN   1 -12.938   1.690   1.690
    5   1HB   GLN   1          2HB       GLN   1 -14.515   2.454   2.454
    6   2HB   GLN   1          1HB       GLN   1 -13.062   1.456   1.456
    7   1HG   GLN   1          2HG       GLN   1 -14.201  -0.015  -0.015
    8   2HG   GLN   1          1HG       GLN   1 -15.683   0.837   0.837
    9   1HE2  GLN   1          2HE2      GLN   1 -16.152  -1.004  -1.004
   10   2HE2  GLN   1          1HE2      GLN   1 -16.781   0.116   0.116
   11    H    GLN   2           H        GLN   2 -11.248   3.080   3.080
   12    HA   GLN   2           HA       GLN   2 -10.659   5.622   5.622
   13   1HB   GLN   2          2HB       GLN   2  -9.057   3.587   3.587
   14   2HB   GLN   2          1HB       GLN   2  -8.406   5.161   5.161
   15   1HG   GLN   2          2HG       GLN   2  -9.374   6.009   6.009
   16   2HG   GLN   2          1HG       GLN   2 -10.937   5.725   5.725
   17   1HE2  GLN   2          2HE2      GLN   2 -10.628   3.865   3.865
   18   2HE2  GLN   2          1HE2      GLN   2 -10.281   5.473   5.473
   19    H    TYR   3           H        TYR   3  -8.345   2.911   2.911
   20    HA   TYR   3           HA       TYR   3  -7.975   3.569   3.569
   21   1HB   TYR   3          2HB       TYR   3  -6.142   2.748   2.748
   22   2HB   TYR   3          1HB       TYR   3  -5.677   2.449   2.449
   23    HD1  TYR   3          2HD       TYR   3  -7.253   5.175   5.175
   24    HD2  TYR   3          1HD       TYR   3  -4.431   4.124   4.124
   25    HE1  TYR   3          2HE       TYR   3  -6.671   7.567   7.567
   26    HE2  TYR   3          1HE       TYR   3  -3.840   6.518   6.518
   27    HH   TYR   3           HH       TYR   3  -4.762   8.908   8.908
   28    H    THR   4           H        THR   4  -9.043   2.096   2.096
   29    HA   THR   4           HA       THR   4  -9.577  -0.619  -0.619
   30    HB   THR   4           HB       THR   4  -9.785   0.479   0.479
   31    HG1  THR   4          1HG       THR   4 -11.630   0.840   0.840
   32   1HG2  THR   4          1HG2      THR   4 -11.260  -1.581  -1.581
   33   2HG2  THR   4          3HG2      THR   4 -11.935  -0.915  -0.915
   34   3HG2  THR   4          2HG2      THR   4 -10.416  -1.810  -1.810
   35    H    ALA   5           H        ALA   5  -6.793   0.775   0.775
   36    HA   ALA   5           HA       ALA   5  -5.889  -1.163  -1.163
   37   1HB   ALA   5          2HB       ALA   5  -5.040   1.229   1.229
   38   2HB   ALA   5          1HB       ALA   5  -4.015   0.260   0.260
   39   3HB   ALA   5          3HB       ALA   5  -3.913   0.061   0.061
   40    H    LYS   6           H        LYS   6  -6.660  -3.153  -3.153
   41    HA   LYS   6           HA       LYS   6  -5.312  -3.948  -3.948
   42   1HB   LYS   6          2HB       LYS   6  -6.444  -6.113  -6.113
   43   2HB   LYS   6          1HB       LYS   6  -7.547  -4.748  -4.748
   44   1HG   LYS   6          2HG       LYS   6  -6.437  -4.973  -4.973
   45   2HG   LYS   6          1HG       LYS   6  -6.634  -6.648  -6.648
   46   1HD   LYS   6          2HD       LYS   6  -8.987  -6.289  -6.289
   47   2HD   LYS   6          1HD       LYS   6  -8.827  -4.561  -4.561
   48   1HE   LYS   6          2HE       LYS   6  -8.105  -5.142  -5.142
   49   2HE   LYS   6          1HE       LYS   6  -8.560  -6.821  -6.821
   50   1HZ   LYS   6          2HZ       LYS   6 -10.338  -4.465  -4.465
   51   2HZ   LYS   6          1HZ       LYS   6 -10.416  -5.547  -5.547
   52   3HZ   LYS   6          3HZ       LYS   6 -10.758  -6.091  -6.091
   53    H    ILE   7           H        ILE   7  -3.120  -3.361  -3.361
   54    HA   ILE   7           HA       ILE   7  -1.833  -4.691  -4.691
   55    HB   ILE   7           HB       ILE   7  -0.816  -2.876  -2.876
   56   1HG1  ILE   7          2HG1      ILE   7   0.868  -5.249  -5.249
   57   2HG1  ILE   7          1HG1      ILE   7   0.780  -4.609  -4.609
   58   1HG2  ILE   7          2HG2      ILE   7  -1.709  -4.138  -4.138
   59   2HG2  ILE   7          1HG2      ILE   7   0.014  -3.803  -3.803
   60   3HG2  ILE   7          3HG2      ILE   7  -1.110  -2.497  -2.497
   61   1HD1  ILE   7          1HD1      ILE   7   1.310  -2.619  -2.619
   62   2HD1  ILE   7          3HD1      ILE   7   2.604  -3.779  -3.779
   63   3HD1  ILE   7          2HD1      ILE   7   2.008  -2.756  -2.756
   64    H    LYS   8           H        LYS   8  -0.560  -5.815  -5.815
   65    HA   LYS   8           HA       LYS   8  -0.413  -8.530  -8.530
   66   1HB   LYS   8          2HB       LYS   8   0.954  -7.000  -7.000
   67   2HB   LYS   8          1HB       LYS   8  -0.073  -7.886  -7.886
   68   1HG   LYS   8          2HG       LYS   8   1.285  -9.440  -9.440
   69   2HG   LYS   8          1HG       LYS   8   2.276  -8.868  -8.868
   70   1HD   LYS   8          2HD       LYS   8  -0.290 -10.446 -10.446
   71   2HD   LYS   8          1HD       LYS   8   1.326 -11.146 -11.146
   72   1HE   LYS   8          2HE       LYS   8   1.592  -9.077  -9.077
   73   2HE   LYS   8          1HE       LYS   8  -0.108  -9.522  -9.522
   74   1HZ   LYS   8          3HZ       LYS   8   0.579 -11.850 -11.850
   75   2HZ   LYS   8          2HZ       LYS   8   2.207 -11.389 -11.389
   76   3HZ   LYS   8          1HZ       LYS   8   1.316 -10.913 -10.913
   77    H    GLY   9           H        GLY   9  -2.728  -6.672  -6.672
   78   1HA   GLY   9          2HA       GLY   9  -4.999  -7.969  -7.969
   79   2HA   GLY   9          1HA       GLY   9  -4.119  -9.100  -9.100
   80    H    ARG  10           H        ARG  10  -4.132  -5.539  -5.539
   81    HA   ARG  10           HA       ARG  10  -5.182  -5.421  -5.421
   82   1HB   ARG  10          2HB       ARG  10  -2.621  -5.582  -5.582
   83   2HB   ARG  10          1HB       ARG  10  -2.690  -3.982  -3.982
   84   1HG   ARG  10          2HG       ARG  10  -2.919  -2.981  -2.981
   85   2HG   ARG  10          1HG       ARG  10  -4.270  -4.030  -4.030
   86   1HD   ARG  10          2HD       ARG  10  -2.233  -5.792  -5.792
   87   2HD   ARG  10          1HD       ARG  10  -1.385  -4.280  -4.280
   88    HE   ARG  10           HE       ARG  10  -3.952  -4.312  -4.312
   89   1HH1  ARG  10          1HH2      ARG  10  -0.765  -5.740  -5.740
   90   2HH1  ARG  10          2HH2      ARG  10  -0.879  -6.005  -6.005
   91   1HH2  ARG  10          1HH1      ARG  10  -4.055  -4.671  -4.671
   92   2HH2  ARG  10          2HH1      ARG  10  -2.721  -5.407  -5.407
   93    H    THR  11           H        THR  11  -6.628  -3.733  -3.733
   94    HA   THR  11           HA       THR  11  -6.837  -1.759  -1.759
   95    HB   THR  11           HB       THR  11  -8.774  -1.100  -1.100
   96    HG1  THR  11          1HG       THR  11  -9.254  -2.639  -2.639
   97   1HG2  THR  11          3HG2      THR  11  -8.598  -3.285  -3.285
   98   2HG2  THR  11          2HG2      THR  11 -10.068  -3.158  -3.158
   99   3HG2  THR  11          1HG2      THR  11  -9.551  -1.802  -1.802
  100    H    PHE  12           H        PHE  12  -6.024   0.331   0.331
  101    HA   PHE  12           HA       PHE  12  -4.706   0.904   0.904
  102   1HB   PHE  12          2HB       PHE  12  -4.389   1.987   1.987
  103   2HB   PHE  12          1HB       PHE  12  -3.441   2.536   2.536
  104    HD1  PHE  12          1HD       PHE  12  -4.231  -0.392  -0.392
  105    HD2  PHE  12          2HD       PHE  12  -1.694   1.182   1.182
  106    HE1  PHE  12          1HE       PHE  12  -2.692  -2.310  -2.310
  107    HE2  PHE  12          2HE       PHE  12  -0.171  -0.753  -0.753
  108   1HZ   PHE  12           HZ       PHE  12  -0.668  -2.494  -2.494
  109    H    ARG  13           H        ARG  13  -4.892   3.034   3.034
  110    HA   ARG  13           HA       ARG  13  -7.570   4.229   4.229
  111   1HB   ARG  13          2HB       ARG  13  -6.354   3.727   3.727
  112   2HB   ARG  13          1HB       ARG  13  -5.234   5.026   5.026
  113   1HG   ARG  13          2HG       ARG  13  -8.182   5.575   5.575
  114   2HG   ARG  13          1HG       ARG  13  -7.351   5.531   5.531
  115   1HD   ARG  13          2HD       ARG  13  -5.637   7.071   7.071
  116   2HD   ARG  13          1HD       ARG  13  -7.240   7.580   7.580
  117    HE   ARG  13           HE       ARG  13  -7.664   8.473   8.473
  118   1HH1  ARG  13          1HH2      ARG  13  -4.947   6.274   6.274
  119   2HH1  ARG  13          2HH2      ARG  13  -4.582   6.662   6.662
  120   1HH2  ARG  13          1HH1      ARG  13  -7.151   8.949   8.949
  121   2HH2  ARG  13          2HH1      ARG  13  -5.813   8.160   8.160
  122    H    ASN  14           H        ASN  14  -4.208   4.992   4.992
  123    HA   ASN  14           HA       ASN  14  -5.108   7.344   7.344
  124   1HB   ASN  14          2HB       ASN  14  -3.259   8.656   8.656
  125   2HB   ASN  14          1HB       ASN  14  -4.381   8.104   8.104
  126   1HD2  ASN  14          2HD2      ASN  14  -1.947   6.180   6.180
  127   2HD2  ASN  14          1HD2      ASN  14  -3.541   6.764   6.764
  128    H    GLU  15           H        GLU  15  -3.215   8.079   8.079
  129    HA   GLU  15           HA       GLU  15  -2.183   5.813   5.813
  130   1HB   GLU  15          2HB       GLU  15  -2.817   8.032   8.032
  131   2HB   GLU  15          1HB       GLU  15  -1.454   8.753   8.753
  132   1HG   GLU  15          2HG       GLU  15  -0.042   6.935   6.935
  133   2HG   GLU  15          1HG       GLU  15  -1.427   6.847   6.847
  134    H    LYS  16           H        LYS  16  -0.781   8.125   8.125
  135    HA   LYS  16           HA       LYS  16   1.953   7.609   7.609
  136   1HB   LYS  16          2HB       LYS  16   0.581   9.186   9.186
  137   2HB   LYS  16          1HB       LYS  16   0.577   7.836   7.836
  138   1HG   LYS  16          2HG       LYS  16   3.195   8.561   8.561
  139   2HG   LYS  16          1HG       LYS  16   2.535   9.674   9.674
  140   1HD   LYS  16          2HD       LYS  16   2.105   7.461   7.461
  141   2HD   LYS  16          1HD       LYS  16   3.376   6.815   6.815
  142   1HE   LYS  16          2HE       LYS  16   4.019   9.469   9.469
  143   2HE   LYS  16          1HE       LYS  16   3.844   8.195   8.195
  144   1HZ   LYS  16          2HZ       LYS  16   5.265   6.768   6.768
  145   2HZ   LYS  16          1HZ       LYS  16   5.502   8.054   8.054
  146   3HZ   LYS  16          3HZ       LYS  16   6.082   8.171   8.171
  147    H    GLU  17           H        GLU  17  -0.438   5.738   5.738
  148    HA   GLU  17           HA       GLU  17   1.492   3.792   3.792
  149   1HB   GLU  17          2HB       GLU  17  -1.035   4.486   4.486
  150   2HB   GLU  17          1HB       GLU  17  -1.394   3.107   3.107
  151   1HG   GLU  17          2HG       GLU  17   0.330   1.804   1.804
  152   2HG   GLU  17          1HG       GLU  17   0.291   3.143   3.143
  153    H    LEU  18           H        LEU  18  -0.838   3.890   3.890
  154    HA   LEU  18           HA       LEU  18  -0.332   1.300   1.300
  155   1HB   LEU  18          2HB       LEU  18  -2.179   2.798   2.798
  156   2HB   LEU  18          1HB       LEU  18  -1.021   3.953   3.953
  157    HG   LEU  18           HG       LEU  18  -0.292   2.310   2.310
  158   1HD1  LEU  18          1HD1      LEU  18  -2.225   0.526   0.526
  159   2HD1  LEU  18          3HD1      LEU  18  -1.788   0.207   0.207
  160   3HD1  LEU  18          2HD1      LEU  18  -0.544   0.200   0.200
  161   1HD2  LEU  18          1HD2      LEU  18  -2.446   3.786   3.786
  162   2HD2  LEU  18          3HD2      LEU  18  -2.145   2.529   2.529
  163   3HD2  LEU  18          2HD2      LEU  18  -3.294   2.243   2.243
  164    H    ARG  19           H        ARG  19   1.522   4.267   4.267
  165    HA   ARG  19           HA       ARG  19   3.428   3.323   3.323
  166   1HB   ARG  19          2HB       ARG  19   2.934   5.805   5.805
  167   2HB   ARG  19          1HB       ARG  19   4.490   5.578   5.578
  168   1HG   ARG  19          2HG       ARG  19   2.002   5.120   5.120
  169   2HG   ARG  19          1HG       ARG  19   2.479   6.782   6.782
  170   1HD   ARG  19          2HD       ARG  19   4.035   6.677   6.677
  171   2HD   ARG  19          1HD       ARG  19   4.823   5.317   5.317
  172    HE   ARG  19           HE       ARG  19   3.689   3.841   3.841
  173   1HH1  ARG  19          1HH2      ARG  19   2.194   7.001   7.001
  174   2HH1  ARG  19          2HH2      ARG  19   1.133   6.575   6.575
  175   1HH2  ARG  19          1HH1      ARG  19   2.299   3.332   3.332
  176   2HH2  ARG  19          2HH1      ARG  19   1.190   4.521   4.521
  177    H    ASP  20           H        ASP  20   3.087   3.629   3.629
  178    HA   ASP  20           HA       ASP  20   5.919   2.931   2.931
  179   1HB   ASP  20          2HB       ASP  20   4.553   4.537   4.537
  180   2HB   ASP  20          1HB       ASP  20   3.557   3.174   3.174
  181    H    PHE  21           H        PHE  21   3.409   1.122   1.122
  182    HA   PHE  21           HA       PHE  21   3.662  -1.180  -1.180
  183   1HB   PHE  21          2HB       PHE  21   1.506  -0.491  -0.491
  184   2HB   PHE  21          1HB       PHE  21   2.206  -0.748  -0.748
  185    HD1  PHE  21          2HD       PHE  21   1.141  -2.405  -2.405
  186    HD2  PHE  21          1HD       PHE  21   2.541  -2.950  -2.950
  187    HE1  PHE  21          2HE       PHE  21   0.621  -4.820  -4.820
  188    HE2  PHE  21          1HE       PHE  21   2.021  -5.370  -5.370
  189   1HZ   PHE  21           HZ       PHE  21   1.057  -6.308  -6.308
  190    H    ILE  22           H        ILE  22   4.312  -0.410  -0.410
  191    HA   ILE  22           HA       ILE  22   5.696  -2.849  -2.849
  192    HB   ILE  22           HB       ILE  22   5.920  -0.116  -0.116
  193   1HG1  ILE  22          2HG1      ILE  22   4.207  -2.502  -2.502
  194   2HG1  ILE  22          1HG1      ILE  22   3.610  -1.073  -1.073
  195   1HG2  ILE  22          3HG2      ILE  22   7.617  -2.176  -2.176
  196   2HG2  ILE  22          2HG2      ILE  22   6.330  -2.600  -2.600
  197   3HG2  ILE  22          1HG2      ILE  22   7.140  -1.041  -1.041
  198   1HD1  ILE  22          1HD1      ILE  22   4.703   0.212   0.212
  199   2HD1  ILE  22          3HD1      ILE  22   4.538  -1.346  -1.346
  200   3HD1  ILE  22          2HD1      ILE  22   3.111  -0.527  -0.527
  201    H    GLU  23           H        GLU  23   6.653   0.160   0.160
  202    HA   GLU  23           HA       GLU  23   9.492  -0.091  -0.091
  203   1HB   GLU  23          2HB       GLU  23   7.560   1.216   1.216
  204   2HB   GLU  23          1HB       GLU  23   9.301   1.306   1.306
  205   1HG   GLU  23          2HG       GLU  23   8.356   1.952   1.952
  206   2HG   GLU  23          1HG       GLU  23   7.974   3.126   3.126
  207    H    LYS  24           H        LYS  24   7.104  -1.283  -1.283
  208    HA   LYS  24           HA       LYS  24   9.125  -2.760  -2.760
  209   1HB   LYS  24          2HB       LYS  24   6.274  -1.951  -1.951
  210   2HB   LYS  24          1HB       LYS  24   6.704  -3.450  -3.450
  211   1HG   LYS  24          2HG       LYS  24   8.662  -1.335  -1.335
  212   2HG   LYS  24          1HG       LYS  24   7.040  -0.872  -0.872
  213   1HD   LYS  24          2HD       LYS  24   6.846  -2.948  -2.948
  214   2HD   LYS  24          1HD       LYS  24   8.453  -3.441  -3.441
  215   1HE   LYS  24          2HE       LYS  24   8.984  -2.454  -2.454
  216   2HE   LYS  24          1HE       LYS  24   9.107  -1.035  -1.035
  217   1HZ   LYS  24          2HZ       LYS  24   6.583  -1.890  -1.890
  218   2HZ   LYS  24          1HZ       LYS  24   7.625  -0.723  -0.723
  219   3HZ   LYS  24          3HZ       LYS  24   6.875  -0.436  -0.436
  220    H    PHE  25           H        PHE  25   7.644  -3.324  -3.324
  221    HA   PHE  25           HA       PHE  25   6.854  -6.139  -6.139
  222   1HB   PHE  25          2HB       PHE  25   5.547  -4.650  -4.650
  223   2HB   PHE  25          1HB       PHE  25   6.977  -4.167  -4.167
  224    HD1  PHE  25          1HD       PHE  25   6.102  -7.658  -7.658
  225    HD2  PHE  25          2HD       PHE  25   6.329  -4.706  -4.706
  226    HE1  PHE  25          1HE       PHE  25   5.680  -9.423  -9.423
  227    HE2  PHE  25          2HE       PHE  25   5.913  -6.478  -6.478
  228   1HZ   PHE  25           HZ       PHE  25   5.588  -8.833  -8.833
  229    H    LYS  26           H        LYS  26   9.809  -4.626  -4.626
  230    HA   LYS  26           HA       LYS  26  11.952  -5.405  -5.405
  231   1HB   LYS  26          2HB       LYS  26  10.815  -7.489  -7.489
  232   2HB   LYS  26          1HB       LYS  26  10.712  -8.109  -8.109
  233   1HG   LYS  26          2HG       LYS  26  12.983  -8.366  -8.366
  234   2HG   LYS  26          1HG       LYS  26  13.334  -6.976  -6.976
  235   1HD   LYS  26          2HD       LYS  26  12.009  -9.283  -9.283
  236   2HD   LYS  26          1HD       LYS  26  13.682  -9.529  -9.529
  237   1HE   LYS  26          2HE       LYS  26  14.111  -7.206  -7.206
  238   2HE   LYS  26          1HE       LYS  26  12.588  -7.543  -7.543
  239   1HZ   LYS  26          1HZ       LYS  26  14.883  -9.422  -9.422
  240   2HZ   LYS  26          3HZ       LYS  26  14.521  -8.474  -8.474
  241   3HZ   LYS  26          2HZ       LYS  26  13.439  -9.683  -9.683
  242    H    GLY  27           H        GLY  27  10.093  -4.313  -4.313
  243   1HA   GLY  27          2HA       GLY  27  11.469  -4.944  -4.944
  244   2HA   GLY  27          1HA       GLY  27   9.854  -5.654  -5.654
  245    H    ARG  28           H        ARG  28  11.377  -2.546  -2.546
  246    HA   ARG  28           HA       ARG  28   9.153  -0.859  -0.859
  247   1HB   ARG  28          2HB       ARG  28  12.068  -0.504  -0.504
  248   2HB   ARG  28          1HB       ARG  28  10.942   0.854   0.854
  249   1HG   ARG  28          2HG       ARG  28  10.508   0.610   0.610
  250   2HG   ARG  28          1HG       ARG  28  11.263  -0.983  -0.983
  251   1HD   ARG  28          2HD       ARG  28  13.436   0.209   0.209
  252   2HD   ARG  28          1HD       ARG  28  12.607   1.712   1.712
  253    HE   ARG  28           HE       ARG  28  12.393  -0.371  -0.371
  254   1HH1  ARG  28          1HH2      ARG  28  14.346   2.261   2.261
  255   2HH1  ARG  28          2HH2      ARG  28  15.099   2.545   2.545
  256   1HH2  ARG  28          1HH1      ARG  28  13.392   0.032   0.032
  257   2HH2  ARG  28          2HH1      ARG  28  14.566   1.299   1.299

  Start of MODEL   39
    1   1H    GLN   1          2HT       GLN   1  -8.493   9.280   9.280
    2   2H    GLN   1          1HT       GLN   1  -7.671  10.362  10.362
    3   3H    GLN   1          3HT       GLN   1  -7.036   8.815   8.815
    4    HA   GLN   1           HA       GLN   1  -8.027   8.756   8.756
    5   1HB   GLN   1          2HB       GLN   1 -10.378   9.551   9.551
    6   2HB   GLN   1          1HB       GLN   1  -9.308  10.826  10.826
    7   1HG   GLN   1          2HG       GLN   1 -10.066  10.501  10.501
    8   2HG   GLN   1          1HG       GLN   1 -11.012   9.089   9.089
    9   1HE2  GLN   1          2HE2      GLN   1 -12.367  12.749  12.749
   10   2HE2  GLN   1          1HE2      GLN   1 -10.694  12.478  12.478
   11    H    GLN   2           H        GLN   2  -9.127   6.857   6.857
   12    HA   GLN   2           HA       GLN   2 -10.050   4.718   4.718
   13   1HB   GLN   2          2HB       GLN   2 -11.881   6.318   6.318
   14   2HB   GLN   2          1HB       GLN   2 -11.382   5.692   5.692
   15   1HG   GLN   2          2HG       GLN   2 -11.796   3.384   3.384
   16   2HG   GLN   2          1HG       GLN   2 -12.336   4.028   4.028
   17   1HE2  GLN   2          2HE2      GLN   2 -15.573   3.887   3.887
   18   2HE2  GLN   2          1HE2      GLN   2 -14.518   3.132   3.132
   19    H    TYR   3           H        TYR   3  -8.146   3.631   3.631
   20    HA   TYR   3           HA       TYR   3  -7.399   3.312   3.312
   21   1HB   TYR   3          2HB       TYR   3  -5.910   2.812   2.812
   22   2HB   TYR   3          1HB       TYR   3  -5.221   2.584   2.584
   23    HD1  TYR   3          1HD       TYR   3  -6.902   5.114   5.114
   24    HD2  TYR   3          2HD       TYR   3  -4.244   4.414   4.414
   25    HE1  TYR   3          1HE       TYR   3  -6.451   7.533   7.533
   26    HE2  TYR   3          2HE       TYR   3  -3.777   6.840   6.840
   27    HH   TYR   3           HH       TYR   3  -4.770   8.947   8.947
   28    H    THR   4           H        THR   4  -9.632   1.960   1.960
   29    HA   THR   4           HA       THR   4  -9.524  -0.557  -0.557
   30    HB   THR   4           HB       THR   4 -11.001  -0.002  -0.002
   31    HG1  THR   4          1HG       THR   4 -12.169   1.450   1.450
   32   1HG2  THR   4          1HG2      THR   4 -11.069  -2.180  -2.180
   33   2HG2  THR   4          3HG2      THR   4 -12.242  -1.185  -1.185
   34   3HG2  THR   4          2HG2      THR   4 -12.498  -1.580  -1.580
   35    H    ALA   5           H        ALA   5  -8.132   0.362   0.362
   36    HA   ALA   5           HA       ALA   5  -7.921  -2.059  -2.059
   37   1HB   ALA   5          2HB       ALA   5  -7.163   0.372   0.372
   38   2HB   ALA   5          1HB       ALA   5  -5.647  -0.094  -0.094
   39   3HB   ALA   5          3HB       ALA   5  -6.208  -0.955  -0.955
   40    H    LYS   6           H        LYS   6  -7.566  -3.829  -3.829
   41    HA   LYS   6           HA       LYS   6  -5.352  -3.888  -3.888
   42   1HB   LYS   6          2HB       LYS   6  -6.043  -6.283  -6.283
   43   2HB   LYS   6          1HB       LYS   6  -7.411  -5.178  -5.178
   44   1HG   LYS   6          2HG       LYS   6  -7.142  -5.713  -5.713
   45   2HG   LYS   6          1HG       LYS   6  -6.906  -7.269  -7.269
   46   1HD   LYS   6          2HD       LYS   6  -9.190  -5.475  -5.475
   47   2HD   LYS   6          1HD       LYS   6  -9.335  -6.544  -6.544
   48   1HE   LYS   6          2HE       LYS   6 -10.019  -8.082  -8.082
   49   2HE   LYS   6          1HE       LYS   6  -8.284  -8.249  -8.249
   50   1HZ   LYS   6          3HZ       LYS   6 -10.011  -6.190  -6.190
   51   2HZ   LYS   6          2HZ       LYS   6  -9.659  -7.684  -7.684
   52   3HZ   LYS   6          1HZ       LYS   6  -8.411  -6.579  -6.579
   53    H    ILE   7           H        ILE   7  -3.554  -3.306  -3.306
   54    HA   ILE   7           HA       ILE   7  -2.758  -4.669  -4.669
   55    HB   ILE   7           HB       ILE   7  -1.775  -2.601  -2.601
   56   1HG1  ILE   7          2HG1      ILE   7   0.430  -4.634  -4.634
   57   2HG1  ILE   7          1HG1      ILE   7  -0.275  -4.208  -4.208
   58   1HG2  ILE   7          2HG2      ILE   7  -1.765  -3.645  -3.645
   59   2HG2  ILE   7          1HG2      ILE   7  -0.086  -3.284  -3.284
   60   3HG2  ILE   7          3HG2      ILE   7  -1.312  -2.022  -2.022
   61   1HD1  ILE   7          2HD1      ILE   7   0.630  -1.975  -1.975
   62   2HD1  ILE   7          1HD1      ILE   7   1.874  -2.940  -2.940
   63   3HD1  ILE   7          3HD1      ILE   7   0.656  -2.102  -2.102
   64    H    LYS   8           H        LYS   8  -0.441  -5.247  -5.247
   65    HA   LYS   8           HA       LYS   8  -0.228  -8.014  -8.014
   66   1HB   LYS   8          2HB       LYS   8   0.858  -6.282  -6.282
   67   2HB   LYS   8          1HB       LYS   8   1.257  -7.991  -7.991
   68   1HG   LYS   8          2HG       LYS   8   1.562  -6.294  -6.294
   69   2HG   LYS   8          1HG       LYS   8   2.778  -6.154  -6.154
   70   1HD   LYS   8          2HD       LYS   8   3.225  -8.542  -8.542
   71   2HD   LYS   8          1HD       LYS   8   1.910  -8.780  -8.780
   72   1HE   LYS   8          2HE       LYS   8   3.914  -6.753  -6.753
   73   2HE   LYS   8          1HE       LYS   8   4.504  -8.428  -8.428
   74   1HZ   LYS   8          1HZ       LYS   8   2.422  -9.059  -9.059
   75   2HZ   LYS   8          3HZ       LYS   8   2.108  -7.409  -7.409
   76   3HZ   LYS   8          2HZ       LYS   8   3.492  -8.114  -8.114
   77    H    GLY   9           H        GLY   9  -2.194  -6.242  -6.242
   78   1HA   GLY   9          2HA       GLY   9  -4.199  -7.745  -7.745
   79   2HA   GLY   9          1HA       GLY   9  -2.944  -8.742  -8.742
   80    H    ARG  10           H        ARG  10  -3.760  -5.250  -5.250
   81    HA   ARG  10           HA       ARG  10  -4.017  -5.113  -5.113
   82   1HB   ARG  10          2HB       ARG  10  -1.495  -5.252  -5.252
   83   2HB   ARG  10          1HB       ARG  10  -1.744  -3.546  -3.546
   84   1HG   ARG  10          2HG       ARG  10  -1.640  -2.952  -2.952
   85   2HG   ARG  10          1HG       ARG  10  -2.785  -4.207  -4.207
   86   1HD   ARG  10          2HD       ARG  10   0.182  -4.636  -4.636
   87   2HD   ARG  10          1HD       ARG  10  -0.594  -4.583  -4.583
   88    HE   ARG  10           HE       ARG  10  -1.899  -6.478  -6.478
   89   1HH1  ARG  10          1HH2      ARG  10   0.806  -6.038  -6.038
   90   2HH1  ARG  10          2HH2      ARG  10   0.937  -7.728  -7.728
   91   1HH2  ARG  10          1HH1      ARG  10  -1.692  -8.653  -8.653
   92   2HH2  ARG  10          2HH1      ARG  10  -0.461  -9.195  -9.195
   93    H    THR  11           H        THR  11  -6.086  -4.057  -4.057
   94    HA   THR  11           HA       THR  11  -6.235  -1.751  -1.751
   95    HB   THR  11           HB       THR  11  -7.778  -2.442  -2.442
   96    HG1  THR  11          1HG       THR  11  -9.226  -3.352  -3.352
   97   1HG2  THR  11          2HG2      THR  11  -8.099  -0.361  -0.361
   98   2HG2  THR  11          1HG2      THR  11  -9.565  -1.206  -1.206
   99   3HG2  THR  11          3HG2      THR  11  -8.601  -0.344  -0.344
  100    H    PHE  12           H        PHE  12  -5.779   0.436   0.436
  101    HA   PHE  12           HA       PHE  12  -4.284   0.979   0.979
  102   1HB   PHE  12          2HB       PHE  12  -4.169   2.428   2.428
  103   2HB   PHE  12          1HB       PHE  12  -3.015   2.532   2.532
  104    HD1  PHE  12          1HD       PHE  12  -4.306   0.399   0.399
  105    HD2  PHE  12          2HD       PHE  12  -1.448   0.736   0.736
  106    HE1  PHE  12          1HE       PHE  12  -3.036  -1.514  -1.514
  107    HE2  PHE  12          2HE       PHE  12  -0.212  -1.176  -1.176
  108   1HZ   PHE  12           HZ       PHE  12  -0.989  -2.310  -2.310
  109    H    ARG  13           H        ARG  13  -4.794   2.752   2.752
  110    HA   ARG  13           HA       ARG  13  -7.419   3.988   3.988
  111   1HB   ARG  13          2HB       ARG  13  -5.002   4.395   4.395
  112   2HB   ARG  13          1HB       ARG  13  -6.501   5.300   5.300
  113   1HG   ARG  13          2HG       ARG  13  -7.603   3.519   3.519
  114   2HG   ARG  13          1HG       ARG  13  -6.874   2.381   2.381
  115   1HD   ARG  13          2HD       ARG  13  -4.935   3.493   3.493
  116   2HD   ARG  13          1HD       ARG  13  -6.228   2.544   2.544
  117    HE   ARG  13           HE       ARG  13  -5.143   1.288   1.288
  118   1HH1  ARG  13          1HH2      ARG  13  -4.776   1.665   1.665
  119   2HH1  ARG  13          2HH2      ARG  13  -3.937   0.163   0.163
  120   1HH2  ARG  13          1HH1      ARG  13  -4.052  -0.647  -0.647
  121   2HH2  ARG  13          2HH1      ARG  13  -3.530  -1.133  -1.133
  122    H    ASN  14           H        ASN  14  -4.117   4.809   4.809
  123    HA   ASN  14           HA       ASN  14  -5.076   7.223   7.223
  124   1HB   ASN  14          2HB       ASN  14  -3.218   8.524   8.524
  125   2HB   ASN  14          1HB       ASN  14  -4.379   7.959   7.959
  126   1HD2  ASN  14          2HD2      ASN  14  -1.974   6.079   6.079
  127   2HD2  ASN  14          1HD2      ASN  14  -3.537   6.742   6.742
  128    H    GLU  15           H        GLU  15  -3.174   8.084   8.084
  129    HA   GLU  15           HA       GLU  15  -2.122   5.952   5.952
  130   1HB   GLU  15          2HB       GLU  15  -2.687   8.249   8.249
  131   2HB   GLU  15          1HB       GLU  15  -1.352   8.876   8.876
  132   1HG   GLU  15          2HG       GLU  15   0.065   7.119   7.119
  133   2HG   GLU  15          1HG       GLU  15  -1.263   7.256   7.256
  134    H    LYS  16           H        LYS  16  -0.692   8.024   8.024
  135    HA   LYS  16           HA       LYS  16   2.024   7.435   7.435
  136   1HB   LYS  16          2HB       LYS  16   0.788   8.977   8.977
  137   2HB   LYS  16          1HB       LYS  16   0.532   7.558   7.558
  138   1HG   LYS  16          2HG       LYS  16   3.317   7.802   7.802
  139   2HG   LYS  16          1HG       LYS  16   2.776   9.210   9.210
  140   1HD   LYS  16          2HD       LYS  16   2.199   7.905   7.905
  141   2HD   LYS  16          1HD       LYS  16   2.247   6.401   6.401
  142   1HE   LYS  16          2HE       LYS  16   4.342   6.216   6.216
  143   2HE   LYS  16          1HE       LYS  16   4.802   7.325   7.325
  144   1HZ   LYS  16          1HZ       LYS  16   3.730   8.260   8.260
  145   2HZ   LYS  16          3HZ       LYS  16   5.391   8.090   8.090
  146   3HZ   LYS  16          2HZ       LYS  16   4.475   9.187   9.187
  147    H    GLU  17           H        GLU  17  -0.434   5.478   5.478
  148    HA   GLU  17           HA       GLU  17   1.451   3.427   3.427
  149   1HB   GLU  17          2HB       GLU  17  -1.423   3.992   3.992
  150   2HB   GLU  17          1HB       GLU  17  -1.108   2.283   2.283
  151   1HG   GLU  17          2HG       GLU  17  -1.223   2.644   2.644
  152   2HG   GLU  17          1HG       GLU  17   0.439   2.257   2.257
  153    H    LEU  18           H        LEU  18  -0.791   3.811   3.811
  154    HA   LEU  18           HA       LEU  18  -0.297   1.320   1.320
  155   1HB   LEU  18          2HB       LEU  18  -2.121   2.830   2.830
  156   2HB   LEU  18          1HB       LEU  18  -0.981   4.110   4.110
  157    HG   LEU  18           HG       LEU  18  -0.078   2.695   2.695
  158   1HD1  LEU  18          2HD1      LEU  18  -0.732   0.512   0.512
  159   2HD1  LEU  18          1HD1      LEU  18  -2.404   0.860   0.860
  160   3HD1  LEU  18          3HD1      LEU  18  -1.191   0.638   0.638
  161   1HD2  LEU  18          3HD2      LEU  18  -2.247   4.255   4.255
  162   2HD2  LEU  18          2HD2      LEU  18  -1.729   3.333   3.333
  163   3HD2  LEU  18          1HD2      LEU  18  -3.029   2.722   2.722
  164    H    ARG  19           H        ARG  19   1.655   4.189   4.189
  165    HA   ARG  19           HA       ARG  19   3.566   3.351   3.351
  166   1HB   ARG  19          2HB       ARG  19   3.206   5.837   5.837
  167   2HB   ARG  19          1HB       ARG  19   4.501   5.638   5.638
  168   1HG   ARG  19          2HG       ARG  19   1.684   5.136   5.136
  169   2HG   ARG  19          1HG       ARG  19   2.208   6.806   6.806
  170   1HD   ARG  19          2HD       ARG  19   4.246   5.308   5.308
  171   2HD   ARG  19          1HD       ARG  19   2.680   5.170   5.170
  172    HE   ARG  19           HE       ARG  19   2.792   7.844   7.844
  173   1HH1  ARG  19          1HH2      ARG  19   4.958   5.685   5.685
  174   2HH1  ARG  19          2HH2      ARG  19   5.621   6.952   6.952
  175   1HH2  ARG  19          1HH1      ARG  19   3.677   9.451   9.451
  176   2HH2  ARG  19          2HH1      ARG  19   4.905   9.061   9.061
  177    H    ASP  20           H        ASP  20   3.159   3.449   3.449
  178    HA   ASP  20           HA       ASP  20   6.073   2.898   2.898
  179   1HB   ASP  20          2HB       ASP  20   4.629   4.685   4.685
  180   2HB   ASP  20          1HB       ASP  20   3.997   3.315   3.315
  181    H    PHE  21           H        PHE  21   3.418   1.063   1.063
  182    HA   PHE  21           HA       PHE  21   3.816  -1.007  -1.007
  183   1HB   PHE  21          2HB       PHE  21   1.561  -0.685  -0.685
  184   2HB   PHE  21          1HB       PHE  21   1.985  -0.482  -0.482
  185    HD1  PHE  21          1HD       PHE  21   2.909  -3.145  -3.145
  186    HD2  PHE  21          2HD       PHE  21   0.909  -2.152  -2.152
  187    HE1  PHE  21          1HE       PHE  21   2.535  -5.541  -5.541
  188    HE2  PHE  21          2HE       PHE  21   0.515  -4.567  -4.567
  189   1HZ   PHE  21           HZ       PHE  21   1.330  -6.268  -6.268
  190    H    ILE  22           H        ILE  22   4.047  -0.755  -0.755
  191    HA   ILE  22           HA       ILE  22   5.372  -3.240  -3.240
  192    HB   ILE  22           HB       ILE  22   5.490  -0.661  -0.661
  193   1HG1  ILE  22          2HG1      ILE  22   3.192  -1.494  -1.494
  194   2HG1  ILE  22          1HG1      ILE  22   3.680  -1.682  -1.682
  195   1HG2  ILE  22          3HG2      ILE  22   6.472  -3.429  -3.429
  196   2HG2  ILE  22          2HG2      ILE  22   5.795  -2.509  -2.509
  197   3HG2  ILE  22          1HG2      ILE  22   7.182  -1.879  -1.879
  198   1HD1  ILE  22          3HD1      ILE  22   4.368  -4.066  -4.066
  199   2HD1  ILE  22          2HD1      ILE  22   3.538  -3.825  -3.825
  200   3HD1  ILE  22          1HD1      ILE  22   2.633  -3.745  -3.745
  201    H    GLU  23           H        GLU  23   6.541  -0.019  -0.019
  202    HA   GLU  23           HA       GLU  23   9.343  -0.454  -0.454
  203   1HB   GLU  23          2HB       GLU  23   7.606   1.392   1.392
  204   2HB   GLU  23          1HB       GLU  23   9.354   1.419   1.419
  205   1HG   GLU  23          2HG       GLU  23   9.558   1.660   1.660
  206   2HG   GLU  23          1HG       GLU  23   7.820   1.960   1.960
  207    H    LYS  24           H        LYS  24   7.213  -0.799  -0.799
  208    HA   LYS  24           HA       LYS  24   9.363  -2.025  -2.025
  209   1HB   LYS  24          2HB       LYS  24   7.742  -0.389  -0.389
  210   2HB   LYS  24          1HB       LYS  24   6.415  -1.473  -1.473
  211   1HG   LYS  24          2HG       LYS  24   6.902  -2.951  -2.951
  212   2HG   LYS  24          1HG       LYS  24   8.630  -2.596  -2.596
  213   1HD   LYS  24          2HD       LYS  24   6.758  -0.422  -0.422
  214   2HD   LYS  24          1HD       LYS  24   7.112  -1.718  -1.718
  215   1HE   LYS  24          2HE       LYS  24   9.611  -1.271  -1.271
  216   2HE   LYS  24          1HE       LYS  24   9.011   0.283   0.283
  217   1HZ   LYS  24          2HZ       LYS  24   7.818   0.550   0.550
  218   2HZ   LYS  24          1HZ       LYS  24   8.607  -0.836  -0.836
  219   3HZ   LYS  24          3HZ       LYS  24   9.508   0.541   0.541
  220    H    PHE  25           H        PHE  25   7.702  -3.228  -3.228
  221    HA   PHE  25           HA       PHE  25   6.741  -5.747  -5.747
  222   1HB   PHE  25          2HB       PHE  25   5.227  -4.633  -4.633
  223   2HB   PHE  25          1HB       PHE  25   6.505  -4.282  -4.282
  224    HD1  PHE  25          2HD       PHE  25   5.884  -7.564  -7.564
  225    HD2  PHE  25          1HD       PHE  25   5.605  -5.218  -5.218
  226    HE1  PHE  25          2HE       PHE  25   5.319  -9.602  -9.602
  227    HE2  PHE  25          1HE       PHE  25   5.034  -7.271  -7.271
  228   1HZ   PHE  25           HZ       PHE  25   4.891  -9.464  -9.464
  229    H    LYS  26           H        LYS  26   8.291  -5.152  -5.152
  230    HA   LYS  26           HA       LYS  26  10.815  -6.382  -6.382
  231   1HB   LYS  26          2HB       LYS  26   8.546  -8.167  -8.167
  232   2HB   LYS  26          1HB       LYS  26   9.631  -8.471  -8.471
  233   1HG   LYS  26          2HG       LYS  26  10.572  -8.292  -8.292
  234   2HG   LYS  26          1HG       LYS  26  10.153  -9.811  -9.811
  235   1HD   LYS  26          2HD       LYS  26  12.050  -7.995  -7.995
  236   2HD   LYS  26          1HD       LYS  26  12.656  -8.870  -8.870
  237   1HE   LYS  26          2HE       LYS  26  12.512 -10.915 -10.915
  238   2HE   LYS  26          1HE       LYS  26  11.065 -10.455 -10.455
  239   1HZ   LYS  26          1HZ       LYS  26  13.778  -9.338  -9.338
  240   2HZ   LYS  26          3HZ       LYS  26  13.087 -10.579 -10.579
  241   3HZ   LYS  26          2HZ       LYS  26  12.382  -9.034  -9.034
  242    H    GLY  27           H        GLY  27   8.175  -5.942  -5.942
  243   1HA   GLY  27          2HA       GLY  27   9.703  -6.083  -6.083
  244   2HA   GLY  27          1HA       GLY  27   8.135  -5.293  -5.293
  245    H    ARG  28           H        ARG  28   8.617  -3.278  -3.278
  246    HA   ARG  28           HA       ARG  28   9.416  -1.055  -1.055
  247   1HB   ARG  28          2HB       ARG  28  11.803  -2.812  -2.812
  248   2HB   ARG  28          1HB       ARG  28  12.007  -1.062  -1.062
  249   1HG   ARG  28          2HG       ARG  28  11.395  -0.952  -0.952
  250   2HG   ARG  28          1HG       ARG  28  10.447  -2.438  -2.438
  251   1HD   ARG  28          2HD       ARG  28  12.359  -3.814  -3.814
  252   2HD   ARG  28          1HD       ARG  28  13.445  -2.507  -2.507
  253    HE   ARG  28           HE       ARG  28  12.330  -1.495  -1.495
  254   1HH1  ARG  28          1HH2      ARG  28  13.913  -4.521  -4.521
  255   2HH1  ARG  28          2HH2      ARG  28  14.515  -4.722  -4.722
  256   1HH2  ARG  28          1HH1      ARG  28  13.131  -1.797  -1.797
  257   2HH2  ARG  28          2HH1      ARG  28  14.079  -3.200  -3.200

  Start of MODEL   40
    1   1H    GLN   1          1HT       GLN   1 -12.944   2.326   2.326
    2   2H    GLN   1          3HT       GLN   1 -13.023   2.214   2.214
    3   3H    GLN   1          2HT       GLN   1 -14.364   1.770   1.770
    4    HA   GLN   1           HA       GLN   1 -14.852   3.981   3.981
    5   1HB   GLN   1          2HB       GLN   1 -15.204   3.084   3.084
    6   2HB   GLN   1          1HB       GLN   1 -13.852   4.124   4.124
    7   1HG   GLN   1          2HG       GLN   1 -16.135   5.254   5.254
    8   2HG   GLN   1          1HG       GLN   1 -16.296   5.067   5.067
    9   1HE2  GLN   1          2HE2      GLN   1 -14.200   8.171   8.171
   10   2HE2  GLN   1          1HE2      GLN   1 -15.200   7.200   7.200
   11    H    GLN   2           H        GLN   2 -11.639   3.645   3.645
   12    HA   GLN   2           HA       GLN   2 -10.925   6.400   6.400
   13   1HB   GLN   2          2HB       GLN   2  -9.742   4.470   4.470
   14   2HB   GLN   2          1HB       GLN   2  -8.994   6.008   6.008
   15   1HG   GLN   2          2HG       GLN   2 -10.759   7.266   7.266
   16   2HG   GLN   2          1HG       GLN   2 -11.873   5.898   5.898
   17   1HE2  GLN   2          2HE2      GLN   2  -9.905   6.564   6.564
   18   2HE2  GLN   2          1HE2      GLN   2 -10.190   7.723   7.723
   19    H    TYR   3           H        TYR   3  -8.746   3.617   3.617
   20    HA   TYR   3           HA       TYR   3  -7.883   3.917   3.917
   21   1HB   TYR   3          2HB       TYR   3  -6.481   3.487   3.487
   22   2HB   TYR   3          1HB       TYR   3  -5.743   2.854   2.854
   23    HD1  TYR   3          2HD       TYR   3  -7.538   5.934   5.934
   24    HD2  TYR   3          1HD       TYR   3  -4.269   4.266   4.266
   25    HE1  TYR   3          2HE       TYR   3  -6.808   8.217   8.217
   26    HE2  TYR   3          1HE       TYR   3  -3.521   6.553   6.553
   27    HH   TYR   3           HH       TYR   3  -4.633   9.325   9.325
   28    H    THR   4           H        THR   4  -8.738   2.287   2.287
   29    HA   THR   4           HA       THR   4  -9.382  -0.330  -0.330
   30    HB   THR   4           HB       THR   4  -9.248   0.637   0.637
   31    HG1  THR   4          1HG       THR   4 -10.870   1.834   1.834
   32   1HG2  THR   4          3HG2      THR   4 -10.382  -1.754  -1.754
   33   2HG2  THR   4          2HG2      THR   4 -11.292  -1.077  -1.077
   34   3HG2  THR   4          1HG2      THR   4  -9.635  -1.628  -1.628
   35    H    ALA   5           H        ALA   5  -6.453   0.988   0.988
   36    HA   ALA   5           HA       ALA   5  -5.095  -0.747  -0.747
   37   1HB   ALA   5          3HB       ALA   5  -4.486   1.312   1.312
   38   2HB   ALA   5          2HB       ALA   5  -3.678  -0.029  -0.029
   39   3HB   ALA   5          1HB       ALA   5  -3.277   0.361   0.361
   40    H    LYS   6           H        LYS   6  -5.790  -2.954  -2.954
   41    HA   LYS   6           HA       LYS   6  -5.341  -4.307  -4.307
   42   1HB   LYS   6          2HB       LYS   6  -6.738  -4.845  -4.845
   43   2HB   LYS   6          1HB       LYS   6  -6.210  -6.242  -6.242
   44   1HG   LYS   6          2HG       LYS   6  -7.464  -5.497  -5.497
   45   2HG   LYS   6          1HG       LYS   6  -7.870  -3.977  -3.977
   46   1HD   LYS   6          2HD       LYS   6  -9.783  -5.070  -5.070
   47   2HD   LYS   6          1HD       LYS   6  -8.772  -5.780  -5.780
   48   1HE   LYS   6          2HE       LYS   6  -8.683  -7.122  -7.122
   49   2HE   LYS   6          1HE       LYS   6 -10.180  -7.305  -7.305
   50   1HZ   LYS   6          1HZ       LYS   6  -8.785  -7.852  -7.852
   51   2HZ   LYS   6          3HZ       LYS   6  -7.416  -7.844  -7.844
   52   3HZ   LYS   6          2HZ       LYS   6  -8.643  -8.991  -8.991
   53    H    ILE   7           H        ILE   7  -2.944  -3.612  -3.612
   54    HA   ILE   7           HA       ILE   7  -1.324  -4.731  -4.731
   55    HB   ILE   7           HB       ILE   7  -0.845  -4.237  -4.237
   56   1HG1  ILE   7          2HG1      ILE   7   0.392  -2.261  -2.261
   57   2HG1  ILE   7          1HG1      ILE   7  -1.142  -2.550  -2.550
   58   1HG2  ILE   7          3HG2      ILE   7   0.907  -5.719  -5.719
   59   2HG2  ILE   7          2HG2      ILE   7   1.277  -4.334  -4.334
   60   3HG2  ILE   7          1HG2      ILE   7   1.504  -4.226  -4.226
   61   1HD1  ILE   7          2HD1      ILE   7  -1.820  -2.513  -2.513
   62   2HD1  ILE   7          1HD1      ILE   7  -0.629  -1.224  -1.224
   63   3HD1  ILE   7          3HD1      ILE   7  -2.085  -1.214  -1.214
   64    H    LYS   8           H        LYS   8  -0.762  -6.229  -6.229
   65    HA   LYS   8           HA       LYS   8  -0.526  -8.844  -8.844
   66   1HB   LYS   8          2HB       LYS   8  -0.063  -7.618  -7.618
   67   2HB   LYS   8          1HB       LYS   8  -0.070  -9.372  -9.372
   68   1HG   LYS   8          2HG       LYS   8   1.616  -7.581  -7.581
   69   2HG   LYS   8          1HG       LYS   8   2.209  -8.249  -8.249
   70   1HD   LYS   8          2HD       LYS   8   0.931 -10.147 -10.147
   71   2HD   LYS   8          1HD       LYS   8   2.530  -9.534  -9.534
   72   1HE   LYS   8          2HE       LYS   8   3.386 -10.265 -10.265
   73   2HE   LYS   8          1HE       LYS   8   1.784 -10.926 -10.926
   74   1HZ   LYS   8          3HZ       LYS   8   3.387 -11.655 -11.655
   75   2HZ   LYS   8          2HZ       LYS   8   3.276 -12.600 -12.600
   76   3HZ   LYS   8          1HZ       LYS   8   1.897 -12.324 -12.324
   77    H    GLY   9           H        GLY   9  -2.835  -7.070  -7.070
   78   1HA   GLY   9          2HA       GLY   9  -5.158  -8.348  -8.348
   79   2HA   GLY   9          1HA       GLY   9  -4.436  -9.433  -9.433
   80    H    ARG  10           H        ARG  10  -4.377  -5.881  -5.881
   81    HA   ARG  10           HA       ARG  10  -5.989  -5.549  -5.549
   82   1HB   ARG  10          2HB       ARG  10  -3.980  -4.179  -4.179
   83   2HB   ARG  10          1HB       ARG  10  -3.955  -5.937  -5.937
   84   1HG   ARG  10          2HG       ARG  10  -2.501  -6.090  -6.090
   85   2HG   ARG  10          1HG       ARG  10  -2.556  -4.336  -4.336
   86   1HD   ARG  10          2HD       ARG  10  -0.720  -4.266  -4.266
   87   2HD   ARG  10          1HD       ARG  10  -1.780  -4.753  -4.753
   88    HE   ARG  10           HE       ARG  10  -1.191  -7.115  -7.115
   89   1HH1  ARG  10          1HH2      ARG  10   0.593  -4.658  -4.658
   90   2HH1  ARG  10          2HH2      ARG  10   1.846  -5.755  -5.755
   91   1HH2  ARG  10          1HH1      ARG  10   0.451  -8.498  -8.498
   92   2HH2  ARG  10          2HH1      ARG  10   1.770  -7.906  -7.906
   93    H    THR  11           H        THR  11  -7.281  -3.848  -3.848
   94    HA   THR  11           HA       THR  11  -6.405  -1.792  -1.792
   95    HB   THR  11           HB       THR  11  -8.694  -0.850  -0.850
   96    HG1  THR  11          1HG       THR  11  -8.659  -2.278  -2.278
   97   1HG2  THR  11          2HG2      THR  11  -8.108  -2.232  -2.232
   98   2HG2  THR  11          1HG2      THR  11  -9.019  -3.492  -3.492
   99   3HG2  THR  11          3HG2      THR  11  -9.784  -1.947  -1.947
  100    H    PHE  12           H        PHE  12  -5.703   0.301   0.301
  101    HA   PHE  12           HA       PHE  12  -4.967   0.529   0.529
  102   1HB   PHE  12          2HB       PHE  12  -4.036   1.634   1.634
  103   2HB   PHE  12          1HB       PHE  12  -3.583   2.450   2.450
  104    HD1  PHE  12          1HD       PHE  12  -3.538  -0.912  -0.912
  105    HD2  PHE  12          2HD       PHE  12  -1.889   1.603   1.603
  106    HE1  PHE  12          1HE       PHE  12  -1.712  -2.562  -2.562
  107    HE2  PHE  12          2HE       PHE  12  -0.115  -0.064  -0.064
  108   1HZ   PHE  12           HZ       PHE  12  -0.038  -2.142  -2.142
  109    H    ARG  13           H        ARG  13  -4.776   3.134   3.134
  110    HA   ARG  13           HA       ARG  13  -7.576   4.151   4.151
  111   1HB   ARG  13          2HB       ARG  13  -5.307   4.600   4.600
  112   2HB   ARG  13          1HB       ARG  13  -6.795   5.546   5.546
  113   1HG   ARG  13          2HG       ARG  13  -8.091   3.746   3.746
  114   2HG   ARG  13          1HG       ARG  13  -7.012   2.562   2.562
  115   1HD   ARG  13          2HD       ARG  13  -5.340   3.629   3.629
  116   2HD   ARG  13          1HD       ARG  13  -6.899   3.776   3.776
  117    HE   ARG  13           HE       ARG  13  -6.822   1.205   1.205
  118   1HH1  ARG  13          1HH2      ARG  13  -5.175   2.986   2.986
  119   2HH1  ARG  13          2HH2      ARG  13  -4.807   1.558   1.558
  120   1HH2  ARG  13          1HH1      ARG  13  -6.321  -0.612  -0.612
  121   2HH2  ARG  13          2HH1      ARG  13  -5.446  -0.457  -0.457
  122    H    ASN  14           H        ASN  14  -4.161   5.117   5.117
  123    HA   ASN  14           HA       ASN  14  -5.013   7.377   7.377
  124   1HB   ASN  14          2HB       ASN  14  -3.281   8.751   8.751
  125   2HB   ASN  14          1HB       ASN  14  -4.442   8.159   8.159
  126   1HD2  ASN  14          2HD2      ASN  14  -2.052   6.239   6.239
  127   2HD2  ASN  14          1HD2      ASN  14  -3.685   6.680   6.680
  128    H    GLU  15           H        GLU  15  -3.141   8.106   8.106
  129    HA   GLU  15           HA       GLU  15  -1.975   5.884   5.884
  130   1HB   GLU  15          2HB       GLU  15  -2.572   8.205   8.205
  131   2HB   GLU  15          1HB       GLU  15  -1.108   8.780   8.780
  132   1HG   GLU  15          2HG       GLU  15   0.279   7.338   7.338
  133   2HG   GLU  15          1HG       GLU  15  -1.143   6.563   6.563
  134    H    LYS  16           H        LYS  16  -0.666   8.175   8.175
  135    HA   LYS  16           HA       LYS  16   2.067   7.573   7.573
  136   1HB   LYS  16          2HB       LYS  16   0.539   9.186   9.186
  137   2HB   LYS  16          1HB       LYS  16   0.719   7.902   7.902
  138   1HG   LYS  16          2HG       LYS  16   3.281   8.097   8.097
  139   2HG   LYS  16          1HG       LYS  16   2.775   9.744   9.744
  140   1HD   LYS  16          2HD       LYS  16   1.883   8.669   8.669
  141   2HD   LYS  16          1HD       LYS  16   3.610   8.991   8.991
  142   1HE   LYS  16          2HE       LYS  16   2.861  11.092  11.092
  143   2HE   LYS  16          1HE       LYS  16   2.708  11.275  11.275
  144   1HZ   LYS  16          2HZ       LYS  16   0.433  10.455  10.455
  145   2HZ   LYS  16          1HZ       LYS  16   0.574  10.330  10.330
  146   3HZ   LYS  16          3HZ       LYS  16   0.632  11.852  11.852
  147    H    GLU  17           H        GLU  17  -0.414   5.932   5.932
  148    HA   GLU  17           HA       GLU  17   1.409   3.927   3.927
  149   1HB   GLU  17          2HB       GLU  17  -0.965   4.753   4.753
  150   2HB   GLU  17          1HB       GLU  17  -1.565   3.551   3.551
  151   1HG   GLU  17          2HG       GLU  17  -0.080   1.855   1.855
  152   2HG   GLU  17          1HG       GLU  17   0.226   3.074   3.074
  153    H    LEU  18           H        LEU  18  -0.787   4.116   4.116
  154    HA   LEU  18           HA       LEU  18  -0.489   1.425   1.425
  155   1HB   LEU  18          2HB       LEU  18  -2.230   2.778   2.778
  156   2HB   LEU  18          1HB       LEU  18  -1.147   4.135   4.135
  157    HG   LEU  18           HG       LEU  18  -0.048   2.913   2.913
  158   1HD1  LEU  18          1HD1      LEU  18  -1.859   0.712   0.712
  159   2HD1  LEU  18          3HD1      LEU  18  -1.368   0.771   0.771
  160   3HD1  LEU  18          2HD1      LEU  18  -0.150   0.639   0.639
  161   1HD2  LEU  18          2HD2      LEU  18  -2.254   4.237   4.237
  162   2HD2  LEU  18          1HD2      LEU  18  -1.781   3.155   3.155
  163   3HD2  LEU  18          3HD2      LEU  18  -3.022   2.657   2.657
  164    H    ARG  19           H        ARG  19   1.525   4.298   4.298
  165    HA   ARG  19           HA       ARG  19   3.425   3.129   3.129
  166   1HB   ARG  19          2HB       ARG  19   3.202   5.733   5.733
  167   2HB   ARG  19          1HB       ARG  19   4.530   5.375   5.375
  168   1HG   ARG  19          2HG       ARG  19   1.796   4.920   4.920
  169   2HG   ARG  19          1HG       ARG  19   2.243   6.602   6.602
  170   1HD   ARG  19          2HD       ARG  19   4.515   5.575   5.575
  171   2HD   ARG  19          1HD       ARG  19   3.191   4.767   4.767
  172    HE   ARG  19           HE       ARG  19   2.437   7.480   7.480
  173   1HH1  ARG  19          1HH2      ARG  19   4.905   5.619   5.619
  174   2HH1  ARG  19          2HH2      ARG  19   5.076   6.779   6.779
  175   1HH2  ARG  19          1HH1      ARG  19   2.693   8.951   8.951
  176   2HH2  ARG  19          2HH1      ARG  19   3.840   8.645   8.645
  177    H    ASP  20           H        ASP  20   2.993   3.402   3.402
  178    HA   ASP  20           HA       ASP  20   5.865   2.965   2.965
  179   1HB   ASP  20          2HB       ASP  20   3.899   4.317   4.317
  180   2HB   ASP  20          1HB       ASP  20   3.764   2.775   2.775
  181    H    PHE  21           H        PHE  21   3.131   0.957   0.957
  182    HA   PHE  21           HA       PHE  21   4.034  -1.276  -1.276
  183   1HB   PHE  21          2HB       PHE  21   1.669  -1.137  -1.137
  184   2HB   PHE  21          1HB       PHE  21   1.885  -0.826  -0.826
  185    HD1  PHE  21          1HD       PHE  21   3.730  -3.438  -3.438
  186    HD2  PHE  21          2HD       PHE  21   0.514  -2.613  -2.613
  187    HE1  PHE  21          1HE       PHE  21   3.560  -5.842  -5.842
  188    HE2  PHE  21          2HE       PHE  21   0.352  -5.044  -5.044
  189   1HZ   PHE  21           HZ       PHE  21   1.866  -6.656  -6.656
  190    H    ILE  22           H        ILE  22   3.821  -0.612  -0.612
  191    HA   ILE  22           HA       ILE  22   5.278  -2.904  -2.904
  192    HB   ILE  22           HB       ILE  22   4.942  -0.208  -0.208
  193   1HG1  ILE  22          2HG1      ILE  22   3.488  -2.807  -2.807
  194   2HG1  ILE  22          1HG1      ILE  22   2.900  -1.600  -1.600
  195   1HG2  ILE  22          3HG2      ILE  22   6.066  -2.819  -2.819
  196   2HG2  ILE  22          2HG2      ILE  22   5.284  -1.700  -1.700
  197   3HG2  ILE  22          1HG2      ILE  22   6.712  -1.192  -1.192
  198   1HD1  ILE  22          1HD1      ILE  22   3.237   0.038   0.038
  199   2HD1  ILE  22          3HD1      ILE  22   3.099  -1.449  -1.449
  200   3HD1  ILE  22          2HD1      ILE  22   1.781  -0.950  -0.950
  201    H    GLU  23           H        GLU  23   6.337   0.186   0.186
  202    HA   GLU  23           HA       GLU  23   9.078   0.098   0.098
  203   1HB   GLU  23          2HB       GLU  23   7.389   1.478   1.478
  204   2HB   GLU  23          1HB       GLU  23   9.117   1.435   1.435
  205   1HG   GLU  23          2HG       GLU  23   9.262   2.134   2.134
  206   2HG   GLU  23          1HG       GLU  23   7.660   2.785   2.785
  207    H    LYS  24           H        LYS  24   7.293  -1.161  -1.161
  208    HA   LYS  24           HA       LYS  24   9.698  -2.483  -2.483
  209   1HB   LYS  24          2HB       LYS  24   8.085  -1.261  -1.261
  210   2HB   LYS  24          1HB       LYS  24   6.784  -2.313  -2.313
  211   1HG   LYS  24          2HG       LYS  24   7.672  -4.199  -4.199
  212   2HG   LYS  24          1HG       LYS  24   9.264  -3.459  -3.459
  213   1HD   LYS  24          2HD       LYS  24   8.280  -1.773  -1.773
  214   2HD   LYS  24          1HD       LYS  24   6.729  -2.604  -2.604
  215   1HE   LYS  24          2HE       LYS  24   9.241  -4.065  -4.065
  216   2HE   LYS  24          1HE       LYS  24   8.185  -3.243  -3.243
  217   1HZ   LYS  24          3HZ       LYS  24   6.295  -4.456  -4.456
  218   2HZ   LYS  24          2HZ       LYS  24   7.385  -5.333  -5.333
  219   3HZ   LYS  24          1HZ       LYS  24   7.424  -5.491  -5.491
  220    H    PHE  25           H        PHE  25   7.734  -3.207  -3.207
  221    HA   PHE  25           HA       PHE  25   7.095  -6.025  -6.025
  222   1HB   PHE  25          2HB       PHE  25   5.479  -4.590  -4.590
  223   2HB   PHE  25          1HB       PHE  25   6.666  -4.146  -4.146
  224    HD1  PHE  25          2HD       PHE  25   6.164  -7.610  -7.610
  225    HD2  PHE  25          1HD       PHE  25   5.459  -4.775  -4.775
  226    HE1  PHE  25          2HE       PHE  25   5.387  -9.452  -9.452
  227    HE2  PHE  25          1HE       PHE  25   4.684  -6.622  -6.622
  228   1HZ   PHE  25           HZ       PHE  25   4.648  -8.959  -8.959
  229    H    LYS  26           H        LYS  26   9.858  -4.480  -4.480
  230    HA   LYS  26           HA       LYS  26  11.851  -5.214  -5.214
  231   1HB   LYS  26          2HB       LYS  26  10.626  -7.455  -7.455
  232   2HB   LYS  26          1HB       LYS  26  10.906  -7.944  -7.944
  233   1HG   LYS  26          2HG       LYS  26  12.991  -8.471  -8.471
  234   2HG   LYS  26          1HG       LYS  26  13.287  -6.742  -6.742
  235   1HD   LYS  26          2HD       LYS  26  12.758  -6.347  -6.347
  236   2HD   LYS  26          1HD       LYS  26  12.255  -8.024  -8.024
  237   1HE   LYS  26          2HE       LYS  26  14.470  -7.998  -7.998
  238   2HE   LYS  26          1HE       LYS  26  14.680  -8.602  -8.602
  239   1HZ   LYS  26          1HZ       LYS  26  15.008  -6.292  -6.292
  240   2HZ   LYS  26          3HZ       LYS  26  14.931  -5.777  -5.777
  241   3HZ   LYS  26          2HZ       LYS  26  16.199  -6.787  -6.787
  242    H    GLY  27           H        GLY  27   9.458  -4.235  -4.235
  243   1HA   GLY  27          2HA       GLY  27  10.205  -5.294  -5.294
  244   2HA   GLY  27          1HA       GLY  27   8.511  -5.048  -5.048
  245    H    ARG  28           H        ARG  28   8.676  -2.648  -2.648
  246    HA   ARG  28           HA       ARG  28   8.619  -0.327  -0.327
  247   1HB   ARG  28          2HB       ARG  28  11.189  -1.273  -1.273
  248   2HB   ARG  28          1HB       ARG  28  11.038  -0.439  -0.439
  249   1HG   ARG  28          2HG       ARG  28   9.890   1.386   1.386
  250   2HG   ARG  28          1HG       ARG  28  11.100   0.670   0.670
  251   1HD   ARG  28          2HD       ARG  28  12.892   1.346   1.346
  252   2HD   ARG  28          1HD       ARG  28  11.853   1.531   1.531
  253    HE   ARG  28           HE       ARG  28  12.263   3.540   3.540
  254   1HH1  ARG  28          1HH2      ARG  28   9.857   2.184   2.184
  255   2HH1  ARG  28          2HH2      ARG  28   8.939   3.647   3.647
  256   1HH2  ARG  28          1HH1      ARG  28  11.042   5.414   5.414
  257   2HH2  ARG  28          2HH1      ARG  28   9.599   5.457   5.457

  Start of MODEL   41
    1   1H    GLN   1          2HT       GLN   1 -15.409   3.304   3.304
    2   2H    GLN   1          1HT       GLN   1 -15.511   2.752   2.752
    3   3H    GLN   1          3HT       GLN   1 -15.929   1.719   1.719
    4    HA   GLN   1           HA       GLN   1 -13.691   1.526   1.526
    5   1HB   GLN   1          2HB       GLN   1 -14.523   1.151   1.151
    6   2HB   GLN   1          1HB       GLN   1 -12.778   1.100   1.100
    7   1HG   GLN   1          2HG       GLN   1 -12.875  -0.824  -0.824
    8   2HG   GLN   1          1HG       GLN   1 -14.433  -0.408  -0.408
    9   1HE2  GLN   1          2HE2      GLN   1 -16.323  -1.794  -1.794
   10   2HE2  GLN   1          1HE2      GLN   1 -16.367  -0.569  -0.569
   11    H    GLN   2           H        GLN   2 -11.332   2.014   2.014
   12    HA   GLN   2           HA       GLN   2 -11.100   4.977   4.977
   13   1HB   GLN   2          2HB       GLN   2  -9.624   2.775   2.775
   14   2HB   GLN   2          1HB       GLN   2  -8.629   4.069   4.069
   15   1HG   GLN   2          2HG       GLN   2 -11.056   4.730   4.730
   16   2HG   GLN   2          1HG       GLN   2  -9.533   4.311   4.311
   17   1HE2  GLN   2          2HE2      GLN   2  -8.790   7.776   7.776
   18   2HE2  GLN   2          1HE2      GLN   2  -9.206   6.518   6.518
   19    H    TYR   3           H        TYR   3  -8.735   2.447   2.447
   20    HA   TYR   3           HA       TYR   3  -8.626   3.614   3.614
   21   1HB   TYR   3          2HB       TYR   3  -6.591   2.569   2.569
   22   2HB   TYR   3          1HB       TYR   3  -6.235   2.551   2.551
   23    HD1  TYR   3          2HD       TYR   3  -7.795   4.881   4.881
   24    HD2  TYR   3          1HD       TYR   3  -5.106   4.416   4.416
   25    HE1  TYR   3          2HE       TYR   3  -7.309   7.303   7.303
   26    HE2  TYR   3          1HE       TYR   3  -4.606   6.832   6.832
   27    HH   TYR   3           HH       TYR   3  -5.770   8.935   8.935
   28    H    THR   4           H        THR   4  -9.294   2.245   2.245
   29    HA   THR   4           HA       THR   4  -9.914  -0.542  -0.542
   30    HB   THR   4           HB       THR   4  -9.650   0.956   0.956
   31    HG1  THR   4          1HG       THR   4 -11.194   2.106   2.106
   32   1HG2  THR   4          3HG2      THR   4 -10.806  -1.650  -1.650
   33   2HG2  THR   4          2HG2      THR   4 -11.723  -0.721  -0.721
   34   3HG2  THR   4          1HG2      THR   4 -10.062  -1.200  -1.200
   35    H    ALA   5           H        ALA   5  -6.975   1.015   1.015
   36    HA   ALA   5           HA       ALA   5  -5.648  -0.701  -0.701
   37   1HB   ALA   5          3HB       ALA   5  -5.065   1.518   1.518
   38   2HB   ALA   5          2HB       ALA   5  -4.077   0.286   0.286
   39   3HB   ALA   5          1HB       ALA   5  -3.873   0.612   0.612
   40    H    LYS   6           H        LYS   6  -6.277  -2.906  -2.906
   41    HA   LYS   6           HA       LYS   6  -5.502  -4.016  -4.016
   42   1HB   LYS   6          2HB       LYS   6  -6.905  -5.112  -5.112
   43   2HB   LYS   6          1HB       LYS   6  -6.623  -6.055  -6.055
   44   1HG   LYS   6          2HG       LYS   6  -8.214  -4.926  -4.926
   45   2HG   LYS   6          1HG       LYS   6  -7.886  -3.394  -3.394
   46   1HD   LYS   6          2HD       LYS   6  -9.089  -4.136  -4.136
   47   2HD   LYS   6          1HD       LYS   6  -9.327  -5.735  -5.735
   48   1HE   LYS   6          2HE       LYS   6 -10.265  -3.478  -3.478
   49   2HE   LYS   6          1HE       LYS   6 -11.179  -3.747  -3.747
   50   1HZ   LYS   6          3HZ       LYS   6 -11.249  -6.129  -6.129
   51   2HZ   LYS   6          2HZ       LYS   6 -10.505  -5.787  -5.787
   52   3HZ   LYS   6          1HZ       LYS   6 -12.052  -5.172  -5.172
   53    H    ILE   7           H        ILE   7  -3.181  -3.311  -3.311
   54    HA   ILE   7           HA       ILE   7  -1.816  -4.666  -4.666
   55    HB   ILE   7           HB       ILE   7  -0.829  -2.840  -2.840
   56   1HG1  ILE   7          2HG1      ILE   7   0.848  -5.127  -5.127
   57   2HG1  ILE   7          1HG1      ILE   7   0.731  -4.734  -4.734
   58   1HG2  ILE   7          3HG2      ILE   7  -1.747  -4.144  -4.144
   59   2HG2  ILE   7          2HG2      ILE   7  -0.066  -3.630  -3.630
   60   3HG2  ILE   7          1HG2      ILE   7  -1.311  -2.456  -2.456
   61   1HD1  ILE   7          1HD1      ILE   7   1.417  -2.642  -2.642
   62   2HD1  ILE   7          3HD1      ILE   7   2.658  -3.650  -3.650
   63   3HD1  ILE   7          2HD1      ILE   7   1.672  -2.582  -2.582
   64    H    LYS   8           H        LYS   8  -0.635  -5.751  -5.751
   65    HA   LYS   8           HA       LYS   8  -0.300  -8.436  -8.436
   66   1HB   LYS   8          2HB       LYS   8  -0.171  -6.875  -6.875
   67   2HB   LYS   8          1HB       LYS   8  -0.248  -8.629  -8.629
   68   1HG   LYS   8          2HG       LYS   8   1.645  -7.618  -7.618
   69   2HG   LYS   8          1HG       LYS   8   2.077  -7.257  -7.257
   70   1HD   LYS   8          2HD       LYS   8   1.161 -10.030 -10.030
   71   2HD   LYS   8          1HD       LYS   8   2.776  -9.564  -9.564
   72   1HE   LYS   8          2HE       LYS   8   3.460  -9.025  -9.025
   73   2HE   LYS   8          1HE       LYS   8   1.795  -9.156  -9.156
   74   1HZ   LYS   8          3HZ       LYS   8   1.787 -11.480 -11.480
   75   2HZ   LYS   8          2HZ       LYS   8   3.432 -11.336 -11.336
   76   3HZ   LYS   8          1HZ       LYS   8   2.931 -11.211 -11.211
   77    H    GLY   9           H        GLY   9  -3.019  -6.735  -6.735
   78   1HA   GLY   9          2HA       GLY   9  -5.190  -8.050  -8.050
   79   2HA   GLY   9          1HA       GLY   9  -4.480  -9.290  -9.290
   80    H    ARG  10           H        ARG  10  -4.489  -5.742  -5.742
   81    HA   ARG  10           HA       ARG  10  -6.253  -5.985  -5.985
   82   1HB   ARG  10          2HB       ARG  10  -4.494  -4.510  -4.510
   83   2HB   ARG  10          1HB       ARG  10  -4.192  -6.243  -6.243
   84   1HG   ARG  10          2HG       ARG  10  -2.982  -5.193  -5.193
   85   2HG   ARG  10          1HG       ARG  10  -2.648  -3.995  -3.995
   86   1HD   ARG  10          2HD       ARG  10  -0.872  -5.713  -5.713
   87   2HD   ARG  10          1HD       ARG  10  -1.763  -5.784  -5.784
   88    HE   ARG  10           HE       ARG  10  -2.884  -7.483  -7.483
   89   1HH1  ARG  10          1HH2      ARG  10  -0.607  -7.289  -7.289
   90   2HH1  ARG  10          2HH2      ARG  10  -0.619  -8.997  -8.997
   91   1HH2  ARG  10          1HH1      ARG  10  -2.863  -9.687  -9.687
   92   2HH2  ARG  10          2HH1      ARG  10  -1.879 -10.341 -10.341
   93    H    THR  11           H        THR  11  -7.374  -4.098  -4.098
   94    HA   THR  11           HA       THR  11  -7.356  -1.983  -1.983
   95    HB   THR  11           HB       THR  11  -9.456  -2.825  -2.825
   96    HG1  THR  11          1HG       THR  11 -10.304  -0.815  -0.815
   97   1HG2  THR  11          1HG2      THR  11  -8.117  -1.996  -1.996
   98   2HG2  THR  11          3HG2      THR  11  -9.873  -2.081  -2.081
   99   3HG2  THR  11          2HG2      THR  11  -8.900  -3.526  -3.526
  100    H    PHE  12           H        PHE  12  -6.567   0.158   0.158
  101    HA   PHE  12           HA       PHE  12  -4.812   0.376   0.376
  102   1HB   PHE  12          2HB       PHE  12  -4.784   1.484   1.484
  103   2HB   PHE  12          1HB       PHE  12  -3.763   2.172   2.172
  104    HD1  PHE  12          2HD       PHE  12  -4.743  -1.244  -1.244
  105    HD2  PHE  12          1HD       PHE  12  -1.632   1.307   1.307
  106    HE1  PHE  12          2HE       PHE  12  -3.104  -3.047  -3.047
  107    HE2  PHE  12          1HE       PHE  12   0.005  -0.523  -0.523
  108   1HZ   PHE  12           HZ       PHE  12  -0.731  -2.699  -2.699
  109    H    ARG  13           H        ARG  13  -4.520   2.695   2.695
  110    HA   ARG  13           HA       ARG  13  -7.191   3.980   3.980
  111   1HB   ARG  13          2HB       ARG  13  -5.514   3.213   3.213
  112   2HB   ARG  13          1HB       ARG  13  -4.676   4.715   4.715
  113   1HG   ARG  13          2HG       ARG  13  -7.259   5.595   5.595
  114   2HG   ARG  13          1HG       ARG  13  -7.271   4.298   4.298
  115   1HD   ARG  13          2HD       ARG  13  -5.254   5.304   5.304
  116   2HD   ARG  13          1HD       ARG  13  -5.346   6.650   6.650
  117    HE   ARG  13           HE       ARG  13  -7.237   7.459   7.459
  118   1HH1  ARG  13          1HH2      ARG  13  -6.597   4.139   4.139
  119   2HH1  ARG  13          2HH2      ARG  13  -7.796   4.139   4.139
  120   1HH2  ARG  13          1HH1      ARG  13  -8.779   7.414   7.414
  121   2HH2  ARG  13          2HH1      ARG  13  -9.021   5.971   5.971
  122    H    ASN  14           H        ASN  14  -3.815   4.763   4.763
  123    HA   ASN  14           HA       ASN  14  -4.851   7.157   7.157
  124   1HB   ASN  14          2HB       ASN  14  -3.103   8.525   8.525
  125   2HB   ASN  14          1HB       ASN  14  -4.010   7.742   7.742
  126   1HD2  ASN  14          2HD2      ASN  14  -1.236   5.858   5.858
  127   2HD2  ASN  14          1HD2      ASN  14  -2.902   6.146   6.146
  128    H    GLU  15           H        GLU  15  -3.475   7.845   7.845
  129    HA   GLU  15           HA       GLU  15  -2.310   5.795   5.795
  130   1HB   GLU  15          2HB       GLU  15  -3.154   8.145   8.145
  131   2HB   GLU  15          1HB       GLU  15  -1.565   8.719   8.719
  132   1HG   GLU  15          2HG       GLU  15  -0.736   6.774   6.774
  133   2HG   GLU  15          1HG       GLU  15  -2.311   7.045   7.045
  134    H    LYS  16           H        LYS  16  -0.790   8.098   8.098
  135    HA   LYS  16           HA       LYS  16   1.934   7.637   7.637
  136   1HB   LYS  16          2HB       LYS  16   0.453   9.049   9.049
  137   2HB   LYS  16          1HB       LYS  16   1.113   7.799   7.799
  138   1HG   LYS  16          2HG       LYS  16   2.661   9.663   9.663
  139   2HG   LYS  16          1HG       LYS  16   3.395   8.342   8.342
  140   1HD   LYS  16          2HD       LYS  16   3.199   9.431   9.431
  141   2HD   LYS  16          1HD       LYS  16   1.717  10.262  10.262
  142   1HE   LYS  16          2HE       LYS  16   3.017  11.779  11.779
  143   2HE   LYS  16          1HE       LYS  16   4.512  10.945  10.945
  144   1HZ   LYS  16          2HZ       LYS  16   3.919  11.405  11.405
  145   2HZ   LYS  16          1HZ       LYS  16   2.620  12.358  12.358
  146   3HZ   LYS  16          3HZ       LYS  16   4.213  12.817  12.817
  147    H    GLU  17           H        GLU  17  -0.273   5.800   5.800
  148    HA   GLU  17           HA       GLU  17   1.625   3.881   3.881
  149   1HB   GLU  17          2HB       GLU  17  -0.914   4.458   4.458
  150   2HB   GLU  17          1HB       GLU  17  -1.236   3.166   3.166
  151   1HG   GLU  17          2HG       GLU  17   0.308   1.686   1.686
  152   2HG   GLU  17          1HG       GLU  17   0.450   2.967   2.967
  153    H    LEU  18           H        LEU  18  -0.402   3.996   3.996
  154    HA   LEU  18           HA       LEU  18   0.176   1.392   1.392
  155   1HB   LEU  18          2HB       LEU  18  -0.957   3.916   3.916
  156   2HB   LEU  18          1HB       LEU  18   0.113   3.319   3.319
  157    HG   LEU  18           HG       LEU  18  -2.040   2.442   2.442
  158   1HD1  LEU  18          1HD1      LEU  18  -0.028   0.784   0.784
  159   2HD1  LEU  18          3HD1      LEU  18  -0.843   0.109   0.109
  160   3HD1  LEU  18          2HD1      LEU  18  -1.657   0.125   0.125
  161   1HD2  LEU  18          1HD2      LEU  18  -2.168   2.128   2.128
  162   2HD2  LEU  18          3HD2      LEU  18  -3.418   2.636   2.636
  163   3HD2  LEU  18          2HD2      LEU  18  -3.030   0.925   0.925
  164    H    ARG  19           H        ARG  19   1.875   4.466   4.466
  165    HA   ARG  19           HA       ARG  19   4.107   3.526   3.526
  166   1HB   ARG  19          2HB       ARG  19   3.336   5.866   5.866
  167   2HB   ARG  19          1HB       ARG  19   3.659   5.973   5.973
  168   1HG   ARG  19          2HG       ARG  19   5.862   6.361   6.361
  169   2HG   ARG  19          1HG       ARG  19   5.997   5.027   5.027
  170   1HD   ARG  19          2HD       ARG  19   5.645   6.387   6.387
  171   2HD   ARG  19          1HD       ARG  19   4.560   7.475   7.475
  172    HE   ARG  19           HE       ARG  19   7.471   7.694   7.694
  173   1HH1  ARG  19          1HH2      ARG  19   4.617   8.382   8.382
  174   2HH1  ARG  19          2HH2      ARG  19   5.371   9.689   9.689
  175   1HH2  ARG  19          1HH1      ARG  19   8.407   9.393   9.393
  176   2HH2  ARG  19          2HH1      ARG  19   7.494  10.257  10.257
  177    H    ASP  20           H        ASP  20   3.325   3.762   3.762
  178    HA   ASP  20           HA       ASP  20   6.094   3.077   3.077
  179   1HB   ASP  20          2HB       ASP  20   4.354   4.665   4.665
  180   2HB   ASP  20          1HB       ASP  20   3.657   3.173   3.173
  181    H    PHE  21           H        PHE  21   3.807   1.263   1.263
  182    HA   PHE  21           HA       PHE  21   3.781  -1.029  -1.029
  183   1HB   PHE  21          2HB       PHE  21   1.830  -0.299  -0.299
  184   2HB   PHE  21          1HB       PHE  21   2.778  -0.696  -0.696
  185    HD1  PHE  21          2HD       PHE  21   1.112  -2.087  -2.087
  186    HD2  PHE  21          1HD       PHE  21   3.213  -2.969  -2.969
  187    HE1  PHE  21          2HE       PHE  21   0.501  -4.471  -4.471
  188    HE2  PHE  21          1HE       PHE  21   2.600  -5.362  -5.362
  189   1HZ   PHE  21           HZ       PHE  21   1.241  -6.112  -6.112
  190    H    ILE  22           H        ILE  22   4.713  -0.451  -0.451
  191    HA   ILE  22           HA       ILE  22   6.291  -2.759  -2.759
  192    HB   ILE  22           HB       ILE  22   6.357   0.036   0.036
  193   1HG1  ILE  22          2HG1      ILE  22   5.602  -2.369  -2.369
  194   2HG1  ILE  22          1HG1      ILE  22   4.498  -1.895  -1.895
  195   1HG2  ILE  22          2HG2      ILE  22   8.020  -2.371  -2.371
  196   2HG2  ILE  22          1HG2      ILE  22   7.626  -1.135  -1.135
  197   3HG2  ILE  22          3HG2      ILE  22   8.554  -0.708  -0.708
  198   1HD1  ILE  22          3HD1      ILE  22   5.537   0.074   0.074
  199   2HD1  ILE  22          2HD1      ILE  22   4.054  -0.848  -0.848
  200   3HD1  ILE  22          1HD1      ILE  22   4.183   0.278   0.278
  201    H    GLU  23           H        GLU  23   7.020   0.287   0.287
  202    HA   GLU  23           HA       GLU  23   9.860   0.004   0.004
  203   1HB   GLU  23          2HB       GLU  23   8.321   2.007   2.007
  204   2HB   GLU  23          1HB       GLU  23   8.008   1.227   1.227
  205   1HG   GLU  23          2HG       GLU  23  10.846   1.608   1.608
  206   2HG   GLU  23          1HG       GLU  23   9.968   2.980   2.980
  207    H    LYS  24           H        LYS  24   7.144  -1.064  -1.064
  208    HA   LYS  24           HA       LYS  24   8.944  -2.654  -2.654
  209   1HB   LYS  24          2HB       LYS  24   6.010  -1.884  -1.884
  210   2HB   LYS  24          1HB       LYS  24   6.705  -2.995  -2.995
  211   1HG   LYS  24          2HG       LYS  24   8.346  -1.247  -1.247
  212   2HG   LYS  24          1HG       LYS  24   7.579  -0.132  -0.132
  213   1HD   LYS  24          2HD       LYS  24   5.565  -0.072  -0.072
  214   2HD   LYS  24          1HD       LYS  24   5.991  -1.517  -1.517
  215   1HE   LYS  24          2HE       LYS  24   8.059  -0.029  -0.029
  216   2HE   LYS  24          1HE       LYS  24   6.954   1.299   1.299
  217   1HZ   LYS  24          1HZ       LYS  24   5.233   0.189   0.189
  218   2HZ   LYS  24          3HZ       LYS  24   6.348  -1.005  -1.005
  219   3HZ   LYS  24          2HZ       LYS  24   6.582   0.603   0.603
  220    H    PHE  25           H        PHE  25   8.051  -3.194  -3.194
  221    HA   PHE  25           HA       PHE  25   7.339  -6.049  -6.049
  222   1HB   PHE  25          2HB       PHE  25   5.244  -5.003  -5.003
  223   2HB   PHE  25          1HB       PHE  25   5.944  -3.908  -3.908
  224    HD1  PHE  25          2HD       PHE  25   6.247  -7.606  -7.606
  225    HD2  PHE  25          1HD       PHE  25   4.939  -4.313  -4.313
  226    HE1  PHE  25          2HE       PHE  25   5.737  -9.182  -9.182
  227    HE2  PHE  25          1HE       PHE  25   4.408  -5.904  -5.904
  228   1HZ   PHE  25           HZ       PHE  25   4.804  -8.336  -8.336
  229    H    LYS  26           H        LYS  26   9.922  -4.973  -4.973
  230    HA   LYS  26           HA       LYS  26  10.450  -5.386  -5.386
  231   1HB   LYS  26          2HB       LYS  26  11.514  -3.544  -3.544
  232   2HB   LYS  26          1HB       LYS  26  12.365  -4.830  -4.830
  233   1HG   LYS  26          2HG       LYS  26  12.953  -5.542  -5.542
  234   2HG   LYS  26          1HG       LYS  26  12.777  -3.801  -3.801
  235   1HD   LYS  26          2HD       LYS  26  14.982  -3.811  -3.811
  236   2HD   LYS  26          1HD       LYS  26  14.265  -3.796  -3.796
  237   1HE   LYS  26          2HE       LYS  26  14.543  -6.166  -6.166
  238   2HE   LYS  26          1HE       LYS  26  14.934  -6.367  -6.367
  239   1HZ   LYS  26          1HZ       LYS  26  16.501  -4.756  -4.756
  240   2HZ   LYS  26          3HZ       LYS  26  16.949  -6.280  -6.280
  241   3HZ   LYS  26          2HZ       LYS  26  16.864  -4.951  -4.951
  242    H    GLY  27           H        GLY  27   9.355  -7.560  -7.560
  243   1HA   GLY  27          2HA       GLY  27   9.788  -9.879  -9.879
  244   2HA   GLY  27          1HA       GLY  27  11.507  -9.530  -9.530
  245    H    ARG  28           H        ARG  28   9.159  -7.824  -7.824
  246    HA   ARG  28           HA       ARG  28   8.794  -7.732  -7.732
  247   1HB   ARG  28          2HB       ARG  28   8.137 -10.233 -10.233
  248   2HB   ARG  28          1HB       ARG  28   9.116 -10.633 -10.633
  249   1HG   ARG  28          2HG       ARG  28   6.762  -8.722  -8.722
  250   2HG   ARG  28          1HG       ARG  28   6.684 -10.412 -10.412
  251   1HD   ARG  28          2HD       ARG  28   8.371  -9.997  -9.997
  252   2HD   ARG  28          1HD       ARG  28   8.485  -8.301  -8.301
  253    HE   ARG  28           HE       ARG  28   5.733  -8.955  -8.955
  254   1HH1  ARG  28          1HH2      ARG  28   8.722  -8.404  -8.404
  255   2HH1  ARG  28          2HH2      ARG  28   7.910  -7.860  -7.860
  256   1HH2  ARG  28          1HH1      ARG  28   4.727  -8.241  -8.241
  257   2HH2  ARG  28          2HH1      ARG  28   5.672  -7.767  -7.767