*HEADER    NEUROPEPTIDE                            25-JUL-09   2KM9              
*TITLE     OMEGA CONOTOXIN-FVIA                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OMEGA_CONOTXIN-FVIA;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: PEPTIDE SYNTHESIS                                     
*KEYWDS    OMEGA CONOTOXIN, FVIA, NEUROPEPTIDE                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.LEE, J.KIM, J.LEE, H.JUNG                                           
*REVDAT   1   28-JUL-10 2KM9    0                                                


! ANSIG v3.3 XPLOR distance restraints file
! No distance corrections applied.
! Trivial distances output.
! modified 08/06/04 by SKLee.

! residue 1    Cys , NOEs forward in sequence
assi (resi 1    and name HB1 ) (resi 2    and name HN  )  2.50  0.70  0.50
assi (resi 1    and name HB2 ) (resi 2    and name HN  )  3.00  1.20  0.50
assi (resi 1    and name HA  ) (resi 2    and name HN  )  3.00  1.20  0.50
assi (resi 1    and name HB1 ) (resi 16   and name HN  )  2.50  0.70  0.20
assi (resi 1    and name HB1 ) (resi 16   and name HA  )  2.50  0.70  0.20
assi (resi 1    and name HA  ) (resi 16   and name HA  )  4.00  2.20  1.00

! residue 2    Lys , NOEs forward in sequence
assi (resi 2    and name HA  ) (resi 3    and name HN  )  3.00  1.20  0.50
assi (resi 2    and name HB# ) (resi 3    and name HN  )  3.00  1.20  1.50
assi (resi 2    and name HG# ) (resi 3    and name HN  )  4.00  2.20  2.00
assi (resi 2    and name HD# ) (resi 3    and name HN  )  4.00  2.20  2.00
assi (resi 2    and name HB# ) (resi 6    and name HN  )  4.00  2.20  2.00
assi (resi 2    and name HB# ) (resi 6    and name HB# )  3.00  1.20  1.50
assi (resi 2    and name HB# ) (resi 6    and name HN  )  4.00  2.20  2.00
assi (resi 2    and name HG# ) (resi 6    and name HN  )  4.00  2.20  3.00
assi (resi 2    and name HG# ) (resi 6    and name HZ# )  4.00  2.20  2.00
assi (resi 2    and name HB# ) (resi 7    and name HN  )  4.00  2.20  2.00
assi (resi 2    and name HN  ) (resi 8    and name HB2 )  4.00  2.20  2.00
assi (resi 2    and name HN  ) (resi 14   and name HB# )  4.00  2.20  2.00
assi (resi 2    and name HG# ) (resi 14   and name HD2#)  4.00  2.20  3.00
assi (resi 2    and name HG# ) (resi 14   and name HN  )  4.00  2.20  2.00
assi (resi 2    and name HD# ) (resi 14   and name HN  )  4.00  2.20  2.00
assi (resi 2    and name HD# ) (resi 14   and name HD2#)  4.00  2.20  3.00
assi (resi 2    and name HA  ) (resi 14   and name HD2#)  3.00  1.20  1.00
assi (resi 2    and name HN  ) (resi 15   and name HA  )  2.50  0.70  0.20
assi (resi 2    and name HB# ) (resi 15   and name HA  )  2.50  0.70  1.20
assi (resi 2    and name HN  ) (resi 16   and name HN  )  3.00  1.20  0.50
assi (resi 2    and name HB# ) (resi 16   and name HA  )  3.00  1.20  1.50
assi (resi 2    and name HG# ) (resi 16   and name HN  )  4.00  2.20  2.00
assi (resi 2    and name HD# ) (resi 16   and name HN  )  4.00  2.20  2.00
assi (resi 2    and name HE# ) (resi 16   and name HN  )  4.00  2.20  2.00
assi (resi 2    and name HA  ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 2    and name HB#  ) (resi 24   and name HN )  4.00  2.20  3.00

! residue 3    Gly , NOEs forward in sequence
assi (resi 3    and name HN  ) (resi 4    and name HG2#)  4.00  2.20  3.00
assi (resi 3    and name HA# ) (resi 4    and name HN  )  2.50  0.70  0.20
assi (resi 3    and name HN  ) (resi 6    and name HB# )  3.00  1.20  1.50
assi (resi 3    and name HN  ) (resi 6    and name HG# )  3.00  1.20  1.50
assi (resi 3    and name HN  ) (resi 6    and name HD# )  4.00  2.20  2.00
assi (resi 3    and name HA# ) (resi 16   and name HN  )  4.00  2.20  3.00

! residue 4    Thr , NOEs forward in sequence
assi (resi 4    and name HA  ) (resi 5    and name HN  )  2.50  0.70  0.20
assi (resi 4    and name HB  ) (resi 5    and name HN  )  4.00  2.20  1.00
assi (resi 4    and name HG2#) (resi 5    and name HN  )  3.00  1.20  2.50
assi (resi 4    and name HN  ) (resi 6    and name HN  )  4.00  2.20  2.00
assi (resi 4    and name HA  ) (resi 6    and name HN  )  3.00  1.20  1.00
assi (resi 4    and name HG2#) (resi 17   and name HN  )  4.00  2.20  3.00
assi (resi 4    and name HG2#) (resi 18   and name HN  )  4.00  2.20  3.00
assi (resi 4    and name HA  ) (resi 25   and name HB2 )  3.00  1.20  0.50
assi (resi 4    and name HA  ) (resi 25   and name HB1 )  4.00  2.20  2.00
assi (resi 4    and name HG2#) (resi 25   and name HN  )  3.00  1.20  2.50

! residue 5    Gly , NOEs forward in sequence
assi (resi 5    and name HN  ) (resi 6    and name HN  )  2.50  0.70  0.20
assi (resi 5    and name HN  ) (resi 6    and name HB# )  4.00  2.20  3.00
assi (resi 5    and name HA# ) (resi 6    and name HN  )  3.00  1.20  1.50
assi (resi 5    and name HA# ) (resi 24   and name HB1 )  4.00  2.20  2.00
assi (resi 5    and name HN  ) (resi 24   and name HB1 )  3.00  1.20  0.50
assi (resi 5    and name HN  ) (resi 24   and name HB2 )  4.00  2.20  1.00
assi (resi 5    and name HA# ) (resi 24   and name HA  )  4.00  2.20  2.00
assi (resi 5    and name HN  ) (resi 25   and name HN  )  4.00  2.20  2.00
assi (resi 5    and name HN  ) (resi 25   and name HB2 )  2.50  0.70  0.20
assi (resi 5    and name HN  ) (resi 25   and name HB1 )  3.00  1.20  0.50
assi (resi 5    and name HA# ) (resi 25   and name HN  )  4.00  2.20  2.00

! 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 HB# ) (resi 7    and name HN  )  2.50  0.70  1.20
assi (resi 6    and name HD# ) (resi 7    and name HN  )  3.00  1.20  1.50
assi (resi 6    and name HG# ) (resi 7    and name HN  )  3.00  1.20  1.50
assi (resi 6    and name HN  ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 25   and name HB2 )  2.50  0.70  0.20
assi (resi 6    and name HN  ) (resi 25   and name HB1 )  3.00  1.20  0.50
assi (resi 6    and name HB# ) (resi 25   and name HN  )  4.00  2.20  2.00

! residue 7    Ser , NOEs forward in sequence
assi (resi 7    and name HA  ) (resi 8    and name HN  )  2.50  0.70  0.20
assi (resi 7    and name HB# ) (resi 8    and name HN  )  3.00  1.20  1.50
assi (resi 7    and name HB# ) (resi 23   and name HN  )  4.00  2.20  3.00
assi (resi 7    and name HA  ) (resi 24   and name HG# )  4.00  2.20  3.00
assi (resi 7    and name HA  ) (resi 24   and name HA  )  3.00  1.20  0.50

! residue 8    Cys , NOEs forward in sequence
assi (resi 8    and name HN  ) (resi 9    and name HN  )  4.00  2.20  1.00
assi (resi 8    and name HA  ) (resi 9    and name HN  )  2.50  0.70  0.20
assi (resi 8    and name HB1 ) (resi 9    and name HN  )  2.50  0.70  0.20
assi (resi 8    and name HB2 ) (resi 9    and name HN  )  3.00  1.20  0.50
assi (resi 8    and name HB1 ) (resi 20   and name HB# )  3.00  1.20  1.50
assi (resi 8    and name HN  ) (resi 23   and name HA# )  3.00  1.20  1.50
assi (resi 8    and name HN  ) (resi 24   and name HA  )  2.50  0.70  0.20
assi (resi 8    and name HN  ) (resi 24   and name HN  )  3.00  1.20  1.50
assi (resi 8    and name HB2 ) (resi 25   and name HN  )  4.00  2.20  1.00

! residue 9    Ser , NOEs forward in sequence
assi (resi 9    and name HA  ) (resi 10   and name HN  )  2.50  0.70  0.20
assi (resi 9    and name HB# ) (resi 10   and name HN  )  2.50  0.70  1.20
assi (resi 9    and name HA  ) (resi 11   and name HN  )  4.00  2.20  2.00
assi (resi 9    and name HB# ) (resi 11   and name HN  )  3.00  1.20  1.50
assi (resi 9    and name HB# ) (resi 12   and name HN  )  4.00  2.20  3.00

! residue 10   Arg , NOEs forward in sequence
assi (resi 10   and name HN  ) (resi 11   and name HN  )  2.50  0.70  0.20
assi (resi 10   and name HA  ) (resi 11   and name HN  )  2.50  0.70  1.20
assi (resi 10   and name HG# ) (resi 11   and name HN  )  3.00  1.20  1.50
assi (resi 10   and name HN  ) (resi 11   and name HN  )  3.00  1.20  1.50
assi (resi 10   and name HA  ) (resi 11   and name HG2#)  4.00  2.20  3.00
assi (resi 10   and name HG# ) (resi 11   and name HD1#)  3.00  2.20  3.00
assi (resi 10   and name HG# ) (resi 11   and name HG1#)  3.00  1.20  1.50
assi (resi 10   and name HG# ) (resi 20   and name HB# )  4.00  2.20  2.00

! residue 11   Ile , NOEs forward in sequence
assi (resi 11   and name HN  ) (resi 12   and name HB# )  3.00  1.20  2.50
assi (resi 11   and name HA  ) (resi 12   and name HN  )  3.00  1.20  0.50
assi (resi 11   and name HB  ) (resi 12   and name HN  )  3.00  1.20  0.50
assi (resi 11   and name HG2#) (resi 12   and name HN  )  3.00  1.20  2.50
assi (resi 11   and name HD1#) (resi 12   and name HN  )  4.00  2.20  3.00
assi (resi 11   and name HG1#) (resi 12   and name HN  )  3.00  1.20  1.50
assi (resi 11   and name HB  ) (resi 13   and name HN  )  4.00  2.20  2.00
assi (resi 11   and name HG2#) (resi 13   and name HN  )  3.00  1.20  2.50
assi (resi 11   and name HG2#) (resi 13   and name HD# )  4.00  2.20  3.00
assi (resi 11   and name HG2#) (resi 13   and name HE# )  4.00  2.20  3.00
assi (resi 11   and name HG1#) (resi 13   and name HN  )  4.00  2.20  3.00

! residue 12   Ala , NOEs forward in sequence
assi (resi 12   and name HA  ) (resi 13   and name HN  )  3.00  1.20  0.50
assi (resi 12   and name HB# ) (resi 13   and name HN  )  2.50  0.70  2.20
assi (resi 12   and name HB# ) (resi 13   and name HD# )  4.00  2.20  3.00
assi (resi 12   and name HB# ) (resi 14   and name HD2#)  4.00  2.20  2.00
assi (resi 12   and name HB# ) (resi 14   and name HD2#)  4.00  2.20  3.00

! residue 13   Tyr , NOEs forward in sequence
assi (resi 13   and name HN  ) (resi 14   and name HN  )  3.00  1.20  0.50
assi (resi 13   and name HA  ) (resi 14   and name HN  )  2.50  0.70  1.20
assi (resi 13   and name HB# ) (resi 14   and name HN  )  3.00  1.20  1.50
assi (resi 13   and name HA  ) (resi 15   and name HN  )  3.00  1.20  0.50
assi (resi 13   and name HB# ) (resi 15   and name HN  )  4.00  2.20  3.00
assi (resi 13   and name HB# ) (resi 20   and name HN  )  4.00  2.20  3.00

! residue 14   Asn , NOEs forward in sequence
assi (resi 14   and name HA  ) (resi 15   and name HN  )  3.00  1.20  0.50
assi (resi 14   and name HB# ) (resi 15   and name HN  )  3.00  1.20  1.50

! residue 15   Cys , NOEs forward in sequence
assi (resi 15   and name HA  ) (resi 16   and name HN  )  2.50  0.70  0.20
assi (resi 15   and name HB# ) (resi 16   and name HN  )  3.00  1.20  1.50
assi (resi 15   and name HB# ) (resi 17   and name HN  )  2.50  0.70  1.20
assi (resi 15   and name HB# ) (resi 18   and name HN  )  4.00  2.20  3.00
assi (resi 15   and name HB# ) (resi 19   and name HN  )  4.00  2.20  3.00
assi (resi 15   and name HB# ) (resi 20   and name HA  )  4.00  2.20  2.00
assi (resi 15   and name HB# ) (resi 19   and name HA  )  4.00  2.20  2.00
assi (resi 15   and name HB# ) (resi 20   and name HN  )  4.00  2.20  3.00

! residue 16   Cys , NOEs forward in sequence
assi (resi 16   and name HN  ) (resi 17   and name HN  )  3.00  1.20  0.50
assi (resi 16   and name HA  ) (resi 17   and name HN  )  3.00  1.20  0.50
assi (resi 16   and name HB1 ) (resi 17   and name HN  )  2.50  0.70  1.20
assi (resi 16   and name HB2 ) (resi 17   and name HN  )  2.50  0.70  1.20
assi (resi 16   and name HN  ) (resi 17   and name HG2#)  4.00  2.20  3.00
assi (resi 16   and name HA  ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 16   and name HN  ) (resi 25   and name HA  )  4.00  2.20  1.00

! residue 17   Thr , NOEs forward in sequence
assi (resi 17   and name HA  ) (resi 18   and name HN  )  2.50  0.70  0.20
assi (resi 17   and name HG2#) (resi 18   and name HN  )  3.00  1.20  2.50
assi (resi 17   and name HG2#) (resi 19   and name HN  )  4.00  2.20  3.00
assi (resi 17   and name HN  ) (resi 25   and name HA  )  4.00  2.20  1.00
assi (resi 17   and name HN  ) (resi 25   and name HB2 )  4.00  2.20  1.00

! residue 18   Gly , NOEs forward in sequence
assi (resi 18   and name HA# ) (resi 19   and name HN  )  2.50  0.70  1.20
assi (resi 18   and name HA# ) (resi 20   and name HN  )  4.00  2.20  3.00

! residue 19   Ser , NOEs forward in sequence
assi (resi 19   and name HA  ) (resi 20   and name HN  )  2.50  0.70  0.20
assi (resi 19   and name HB# ) (resi 20   and name HN  )  2.50  0.70  0.20

! residue 20   Cys , NOEs forward in sequence
assi (resi 20   and name HA  ) (resi 21   and name HN  )  2.50  0.70  0.20
assi (resi 20   and name HB# ) (resi 21   and name HN  )  3.00  1.20  0.50

! residue 21   Arg , NOEs forward in sequence
assi (resi 21   and name HA  ) (resi 22   and name HN  )  2.50  0.70  0.20
assi (resi 21   and name HB# ) (resi 22   and name HN  )  3.00  1.20  1.50
assi (resi 21   and name HG# ) (resi 22   and name HN  )  3.00  1.20  1.50
assi (resi 21   and name HD# ) (resi 24   and name HB2 )  3.00  1.20  1.50
assi (resi 21   and name HN  ) (resi 24   and name HN  )  3.00  1.20  0.50
assi (resi 21   and name HB# ) (resi 24   and name HN  )  4.00  2.20  3.00
assi (resi 21   and name HN  ) (resi 25   and name HA  )  4.00  2.20  3.00
assi (resi 21   and name HB# ) (resi 25   and name HN  )  4.00  2.20  3.00

! residue 22   Ser , NOEs forward in sequence
assi (resi 22   and name HN  ) (resi 23   and name HN  )  3.00  1.20  0.50
assi (resi 22   and name HA  ) (resi 23   and name HN  )  2.50  0.70  0.20

! residue 23   Gly , NOEs forward in sequence
assi (resi 23   and name HN  ) (resi 24   and name HN  )  3.00  1.20  0.50
assi (resi 23   and name HA# ) (resi 24   and name HN  )  2.50  0.70  1.20

! residue 24   Lys , NOEs forward in sequence
assi (resi 24   and name HA  ) (resi 25   and name HN  )  2.50  0.70  0.20
assi (resi 24   and name HB1 ) (resi 25   and name HN  )  2.50  0.70  0.20
assi (resi 24   and name HB2 ) (resi 25   and name HN  )  3.00  1.20  0.50

! residue 1    Cys , intraresidue NOEs
assi (resi 1    and name HA  ) (resi 1    and name HB1 )  3.00  1.20  0.50
assi (resi 1    and name HA  ) (resi 1    and name HB2 )  3.00  1.20  0.50

! residue 2    Lys , intraresidue NOEs
assi (resi 2    and name HN  ) (resi 2    and name HA  )  3.00  1.20  0.50
assi (resi 2    and name HN  ) (resi 2    and name HB# )  3.00  1.20  1.10
assi (resi 2    and name HN  ) (resi 2    and name HG# )  4.00  2.20  2.00
assi (resi 2    and name HN  ) (resi 2    and name HD# )  4.00  2.20  2.70
assi (resi 2    and name HA  ) (resi 2    and name HB# )  3.00  1.20  0.50
assi (resi 2    and name HA  ) (resi 2    and name HG# )  3.00  1.20  1.10
assi (resi 2    and name HA  ) (resi 2    and name HD# )  4.00  2.20  2.00
assi (resi 2    and name HB# ) (resi 2    and name HB# )  2.50  0.70  0.20
assi (resi 2    and name HB# ) (resi 2    and name HG# )  3.00  1.20  0.50
assi (resi 2    and name HG# ) (resi 2    and name HD# )  3.00  1.20  0.50

! residue 3    Gly , intraresidue NOEs
assi (resi 3    and name HN  ) (resi 3    and name HA# )  2.50  0.70  0.20
assi (resi 3    and name HN  ) (resi 3    and name HA# )  2.50  0.70  0.20

! residue 4    Thr , intraresidue NOEs
assi (resi 4    and name HN  ) (resi 4    and name HA  )  3.00  1.20  0.50
assi (resi 4    and name HN  ) (resi 4    and name HB  )  3.00  1.20  1.10
assi (resi 4    and name HN  ) (resi 4    and name HG2#)  4.00  2.20  2.00
assi (resi 4    and name HA  ) (resi 4    and name HB  )  3.00  1.20  0.50
assi (resi 4    and name HA  ) (resi 4    and name HG2#)  4.00  2.20  1.60
assi (resi 4    and name HB  ) (resi 4    and name HG2#)  4.00  2.20  1.00

! residue 5    Gly , intraresidue NOEs
assi (resi 5    and name HN  ) (resi 5    and name HA# )  2.50  0.70  0.20
assi (resi 5    and name HA# ) (resi 5    and name HA# )  2.50  0.70  0.20

! residue 6    Lys , intraresidue NOEs
assi (resi 6    and name HN  ) (resi 6    and name HA  )  3.00  1.20  0.50
assi (resi 6    and name HN  ) (resi 6    and name HB# )  3.00  1.20  1.10
assi (resi 6    and name HN  ) (resi 6    and name HG# )  4.00  2.20  2.00
assi (resi 6    and name HN  ) (resi 6    and name HD# )  4.00  2.20  2.70
assi (resi 6    and name HA  ) (resi 6    and name HB# )  3.00  1.20  0.50
assi (resi 6    and name HA  ) (resi 6    and name HD# )  4.00  2.20  2.00
assi (resi 6    and name HB# ) (resi 6    and name HB# )  2.50  0.70  0.20
assi (resi 6    and name HB# ) (resi 6    and name HG# )  3.00  1.20  0.50

! residue 7    Ser , intraresidue NOEs
assi (resi 7    and name HN  ) (resi 7    and name HA  )  3.00  1.20  0.50
assi (resi 7    and name HN  ) (resi 7    and name HB# )  3.00  1.20  1.10
assi (resi 7    and name HA  ) (resi 7    and name HB# )  3.00  1.20  0.50

! residue 8    Cys , intraresidue NOEs
assi (resi 8    and name HN  ) (resi 8    and name HA  )  3.00  1.20  0.50
assi (resi 8    and name HN  ) (resi 8    and name HB1 )  4.00  2.20  1.00
assi (resi 8    and name HN  ) (resi 8    and name HB2 )  4.00  2.20  1.00
assi (resi 8    and name HA  ) (resi 8    and name HB1 )  3.00  1.20  0.50
assi (resi 8    and name HA  ) (resi 8    and name HB2 )  3.00  1.20  0.50
assi (resi 8    and name HB1 ) (resi 8    and name HB2 )  2.50  0.70  0.20

! residue 9    Ser , intraresidue NOEs
assi (resi 9    and name HN  ) (resi 9    and name HA  )  3.00  1.20  0.50
assi (resi 9    and name HN  ) (resi 9    and name HB# )  3.00  1.20  1.10
assi (resi 9    and name HA  ) (resi 9    and name HB# )  3.00  1.20  0.50

! residue 10   Arg , intraresidue NOEs
assi (resi 10   and name HN  ) (resi 10   and name HA  )  3.00  1.20  0.50
assi (resi 10   and name HN  ) (resi 10   and name HB# )  2.50  0.70  0.80
assi (resi 10   and name HN  ) (resi 10   and name HG# )  3.00  1.20  1.50
assi (resi 10   and name HA  ) (resi 10   and name HB# )  3.00  1.20  0.50
assi (resi 10   and name HE  ) (resi 10   and name HB# )  4.00  2.20  3.00

! residue 11   Ile , intraresidue NOEs
assi (resi 11   and name HN  ) (resi 11   and name HA  )  3.00  1.20  0.50
assi (resi 11   and name HN  ) (resi 11   and name HB  )  3.00  1.20  1.10
assi (resi 11   and name HN  ) (resi 11   and name HG2#)  3.00  1.20  1.50
assi (resi 11   and name HN  ) (resi 11   and name HD1#)  4.00  2.20  2.70
assi (resi 11   and name HN  ) (resi 11   and name HG1#)  3.00  1.20  1.50
assi (resi 11   and name HA  ) (resi 11   and name HB  )  3.00  1.20  0.50
assi (resi 11   and name HA  ) (resi 11   and name HG2#)  3.00  1.20  1.10
assi (resi 11   and name HA  ) (resi 11   and name HG1#)  4.00  2.20  2.60
assi (resi 11   and name HB  ) (resi 11   and name HG2#)  2.50  0.70  0.20
assi (resi 11   and name HB  ) (resi 11   and name HG1#)  3.00  1.20  0.50
assi (resi 11   and name HD1#) (resi 11   and name HG1#)  2.50  0.70  0.20
assi (resi 11   and name HG1#) (resi 11   and name HG1#)  2.50  0.70  0.20

! residue 12   Ala , intraresidue NOEs
assi (resi 12   and name HN  ) (resi 12   and name HA  )  3.00  1.20  0.50
assi (resi 12   and name HN  ) (resi 12   and name HB# )  2.50  0.70  0.80
assi (resi 12   and name HA  ) (resi 12   and name HB# )  3.00  1.20  0.50

! residue 13   Tyr , intraresidue NOEs
assi (resi 13   and name HN  ) (resi 13   and name HA  )  2.50  0.70  0.20
assi (resi 13   and name HN  ) (resi 13   and name HB# )  3.00  1.20  1.10
assi (resi 13   and name HN  ) (resi 13   and name HD# )  4.00  2.20  3.40
assi (resi 13   and name HA  ) (resi 13   and name HB# )  3.00  1.20  0.50
assi (resi 13   and name HA  ) (resi 13   and name HD# )  4.00  2.20  3.00
assi (resi 13   and name HB# ) (resi 13   and name HD# )  2.50  0.70  0.20
assi (resi 13   and name HD# ) (resi 13   and name HE# )  2.50  0.70  0.20

! residue 14   Asn , intraresidue NOEs
assi (resi 14   and name HN  ) (resi 14   and name HA  )  3.00  1.20  0.50
assi (resi 14   and name HN  ) (resi 14   and name HB# )  3.00  1.20  1.10
assi (resi 14   and name HA  ) (resi 14   and name HB# )  3.00  1.20  0.50
assi (resi 14   and name HB# ) (resi 14   and name HB# )  2.50  0.70  0.20
assi (resi 14   and name HB# ) (resi 14   and name HD2#)  3.00  1.20  0.50
assi (resi 14   and name HD2#) (resi 14   and name HD2#)  2.50  0.70  0.20

! residue 15   Cys , intraresidue NOEs
assi (resi 15   and name HN  ) (resi 15   and name HA  )  3.00  1.20  0.50
assi (resi 15   and name HN  ) (resi 15   and name HB# )  3.00  1.20  1.10
assi (resi 15   and name HA  ) (resi 15   and name HB# )  3.00  1.20  0.50
assi (resi 15   and name HB# ) (resi 15   and name HB# )  2.50  0.70  0.20

! residue 16   Cys , intraresidue NOEs
assi (resi 16   and name HN  ) (resi 16   and name HA  )  3.00  1.20  0.50
assi (resi 16   and name HN  ) (resi 16   and name HB1 )  3.00  1.20  0.50
assi (resi 16   and name HN  ) (resi 16   and name HB2 )  3.00  1.20  0.50
assi (resi 16   and name HA  ) (resi 16   and name HB1 )  3.00  1.20  0.50
assi (resi 16   and name HA  ) (resi 16   and name HB2 )  3.00  1.20  0.50
assi (resi 16   and name HB1 ) (resi 16   and name HB1 )  2.50  0.70  0.20

! residue 17   Thr , intraresidue NOEs
assi (resi 17   and name HN  ) (resi 17   and name HA  )  3.00  1.20  0.50
assi (resi 17   and name HN  ) (resi 17   and name HB  )  4.00  2.20  1.00
assi (resi 17   and name HN  ) (resi 17   and name HG2#)  3.00  1.20  1.50
assi (resi 17   and name HA  ) (resi 17   and name HB  )  3.00  1.20  0.50
assi (resi 17   and name HA  ) (resi 17   and name HG2#)  4.00  2.20  1.60
assi (resi 17   and name HB  ) (resi 17   and name HG2#)  3.00  1.20  0.50

! residue 18   Gly , intraresidue NOEs
assi (resi 18   and name HN  ) (resi 18   and name HA# )  2.50  0.70  0.20
assi (resi 18   and name HA# ) (resi 18   and name HA# )  2.50  0.70  0.20

! residue 19   Ser , intraresidue NOEs
assi (resi 19   and name HN  ) (resi 19   and name HA  )  3.00  1.20  0.50
assi (resi 19   and name HN  ) (resi 19   and name HB# )  3.00  1.20  1.10
assi (resi 19   and name HA  ) (resi 19   and name HB# )  3.00  1.20  0.50
assi (resi 19   and name HB# ) (resi 19   and name HB# )  2.50  0.70  0.20

! residue 20   Cys , intraresidue NOEs
assi (resi 20   and name HN  ) (resi 20   and name HA  )  2.50  0.70  0.20
assi (resi 20   and name HN  ) (resi 20   and name HB# )  3.00  1.20  1.10
assi (resi 20   and name HA  ) (resi 20   and name HB# )  3.00  1.20  0.50
assi (resi 20   and name HB# ) (resi 20   and name HB# )  3.00  1.20  0.50

! residue 21   Arg , intraresidue NOEs
assi (resi 21   and name HN  ) (resi 21   and name HA  )  3.00  1.20  0.50
assi (resi 21   and name HN  ) (resi 21   and name HB# )  3.00  1.20  1.10
assi (resi 21   and name HN  ) (resi 21   and name HG# )  4.00  2.20  2.00
assi (resi 21   and name HA  ) (resi 21   and name HB# )  3.00  1.20  0.50
assi (resi 21   and name HA  ) (resi 21   and name HG# )  4.00  2.20  1.60

! residue 22   Ser , intraresidue NOEs
assi (resi 22   and name HN  ) (resi 22   and name HA  )  2.50  0.70  0.20
assi (resi 22   and name HN  ) (resi 22   and name HB# )  4.00  2.20  1.60
assi (resi 22   and name HA  ) (resi 22   and name HB# )  3.00  1.20  0.50

! residue 23   Gly , intraresidue NOEs
assi (resi 23   and name HN  ) (resi 23   and name HA# )  2.50  0.70  0.20
assi (resi 23   and name HA# ) (resi 23   and name HA# )  2.50  0.70  0.20

! residue 24   Lys , intraresidue NOEs
assi (resi 24   and name HN  ) (resi 24   and name HA  )  2.50  0.70  0.20
assi (resi 24   and name HN  ) (resi 24   and name HB# )  3.00  1.20  0.50
assi (resi 24   and name HN  ) (resi 24   and name HB# )  3.00  1.20  0.50
assi (resi 24   and name HN  ) (resi 24   and name HG# )  4.00  2.20  2.00
assi (resi 24   and name HN  ) (resi 24   and name HD# )  4.00  2.20  2.70
assi (resi 24   and name HA  ) (resi 24   and name HB1 )  3.00  1.20  0.50
assi (resi 24   and name HA  ) (resi 24   and name HB2 )  3.00  1.20  0.50
assi (resi 24   and name HB1 ) (resi 24   and name HB2 )  3.00  1.20  0.50
assi (resi 24   and name HA  ) (resi 24   and name HG# )  4.00  2.20  2.60
assi (resi 24   and name HA  ) (resi 24   and name HD# )  4.00  2.20  3.00

! residue 25   Cys , intraresidue NOEs
assi (resi 25   and name HN  ) (resi 25   and name HA  )  3.00  1.20  0.50
assi (resi 25   and name HN  ) (resi 25   and name HB1 )  3.00  1.20  0.50
assi (resi 25   and name HN  ) (resi 25   and name HB2 )  3.00  1.20  0.50
assi (resi 25   and name HA  ) (resi 25   and name HB1 )  3.00  1.20  0.50
assi (resi 25   and name HA  ) (resi 25   and name HB2 )  3.00  1.20  0.50

!disulfide bond and hydrogen bond
set message=off echo =off end

assign (resid  1 and name sg ) (resid 16 and name sg ) 2.02 0.02 0.02
assign (resid  1 and name cb ) (resid 16 and name sg ) 2.99 0.50 0.50
assign (resid  1 and name sg ) (resid 16 and name cb ) 2.99 0.50 0.50
assign (resid  8 and name sg ) (resid 20 and name sg ) 2.02 0.02 0.02
assign (resid  8 and name cb ) (resid 20 and name sg ) 2.99 0.50 0.50
assign (resid  8 and name sg ) (resid 20 and name cb ) 2.99 0.50 0.50
assign (resid 15 and name sg ) (resid 25 and name sg ) 2.02 0.02 0.02
assign (resid 15 and name cb ) (resid 25 and name sg ) 2.99 0.50 0.50
assign (resid 15 and name sg ) (resid 25 and name cb ) 2.99 0.50 0.50

assign (resid 23 and name o  ) (resid  8 and name hn ) 2.00 0.20 0.30
assign (resid 23 and name o  ) (resid  8 and name n  ) 2.70 0.40 0.60
assign (resid 21 and name o  ) (resid 24 and name hn ) 2.00 0.20 0.30
assign (resid 21 and name o  ) (resid 24 and name n  ) 2.70 0.40 0.60
assign (resid 24 and name o  ) (resid 21 and name hn ) 2.00 0.20 0.30
assign (resid 24 and name o  ) (resid 21 and name n  ) 2.70 0.40 0.60
assign (resid 25 and name o  ) (resid  6 and name hn ) 2.00 0.20 0.30
assign (resid 25 and name o  ) (resid  6 and name n  ) 2.70 0.40 0.60

!Dihedral angle
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0 -120.0   40.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0 -120.0   40.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0 -120.0   40.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0 -120.0   40.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0 -120.0   40.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -120.0   40.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0 -120.0   40.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -120.0   40.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0 -120.0   40.0 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0 -120.0   40.0 2
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0 -120.0   40.0 2
assign (resid    1 and name N    ) (resid    1 and name CA   )
       (resid    1 and name CB   ) (resid    1 and name SG   )    1.0   60.0   60.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name CB   ) (resid    8 and name SG   )    1.0  180.0   60.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name CB   ) (resid   16 and name SG   )    1.0  -60.0   60.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name CB   ) (resid   24 and name SG   )    1.0  180.0   60.0 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name CB   ) (resid   25 and name SG   )    1.0  180.0   60.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           H1       CYS   1  -4.619   6.626  -6.857
    2    H2   CYS   1           H2       CYS   1  -4.378   7.737  -5.594
    3    H3   CYS   1           H3       CYS   1  -5.830   6.859  -5.693
    4    HA   CYS   1           HA       CYS   1  -4.815   4.855  -5.052
    5    HB2  CYS   1           HB2      CYS   1  -2.263   4.836  -4.982
    6    HB3  CYS   1           HB3      CYS   1  -2.976   4.965  -6.592
    7    H    LYS   2           H        LYS   2  -2.990   4.612  -3.080
    8    HA   LYS   2           HA       LYS   2  -4.065   6.322  -0.953
    9    HB2  LYS   2           HB3      LYS   2  -2.033   4.076  -1.091
   10    HB3  LYS   2           HB2      LYS   2  -2.548   4.830   0.420
   11    HG2  LYS   2           HG3      LYS   2  -4.793   4.089   0.146
   12    HG3  LYS   2           HG2      LYS   2  -4.527   3.665  -1.545
   13    HD2  LYS   2           HD3      LYS   2  -2.689   2.059  -0.528
   14    HD3  LYS   2           HD2      LYS   2  -3.672   2.207   0.930
   15    HE2  LYS   2           HE3      LYS   2  -5.340   1.767  -1.420
   16    HE3  LYS   2           HE2      LYS   2  -4.165   0.457  -1.195
   17    HZ1  LYS   2           HZ1      LYS   2  -6.322   0.328   0.141
   18    HZ2  LYS   2           HZ2      LYS   2  -5.678   1.583   1.083
   19    HZ3  LYS   2           HZ3      LYS   2  -4.866   0.093   0.985
   20    H    GLY   3           H        GLY   3  -0.680   5.387  -1.132
   21    HA2  GLY   3           HA3      GLY   3   0.894   7.284  -2.010
   22    HA3  GLY   3           HA2      GLY   3   0.068   8.251  -0.785
   23    H    THR   4           H        THR   4   2.915   6.861  -1.185
   24    HA   THR   4           HA       THR   4   3.496   5.024   0.781
   25    HB   THR   4           HB       THR   4   5.516   6.941   0.968
   26    HG1  THR   4           HG1      THR   4   5.134   8.275  -0.588
   27   HG21  THR   4          HG21      THR   4   4.934   4.527  -0.678
   28   HG22  THR   4          HG22      THR   4   6.244   4.815   0.466
   29   HG23  THR   4          HG23      THR   4   6.314   5.519  -1.150
   30    H    GLY   5           H        GLY   5   3.049   4.972   2.945
   31    HA2  GLY   5           HA3      GLY   5   3.452   6.142   5.138
   32    HA3  GLY   5           HA2      GLY   5   2.800   7.595   4.370
   33    H    LYS   6           H        LYS   6   0.806   5.907   2.894
   34    HA   LYS   6           HA       LYS   6  -1.316   5.988   4.912
   35    HB2  LYS   6           HB3      LYS   6  -1.008   5.409   1.974
   36    HB3  LYS   6           HB2      LYS   6  -2.507   4.945   2.781
   37    HG2  LYS   6           HG3      LYS   6  -1.739   7.627   3.556
   38    HG3  LYS   6           HG2      LYS   6  -1.833   7.497   1.799
   39    HD2  LYS   6           HD3      LYS   6  -4.088   6.478   2.015
   40    HD3  LYS   6           HD2      LYS   6  -3.998   6.688   3.763
   41    HE2  LYS   6           HE3      LYS   6  -5.009   8.700   3.339
   42    HE3  LYS   6           HE2      LYS   6  -3.381   9.220   2.859
   43    HZ1  LYS   6           HZ1      LYS   6  -3.796   8.679   0.627
   44    HZ2  LYS   6           HZ2      LYS   6  -5.190   9.501   1.131
   45    HZ3  LYS   6           HZ3      LYS   6  -5.205   7.807   1.001
   46    H    SER   7           H        SER   7  -2.705   3.970   5.241
   47    HA   SER   7           HA       SER   7  -0.925   1.598   5.541
   48    HB2  SER   7           HB3      SER   7  -2.547   0.948   7.238
   49    HB3  SER   7           HB2      SER   7  -2.108   2.636   7.483
   50    HG   SER   7           HG       SER   7  -4.005   3.214   6.369
   51    H    CYS   8           H        CYS   8  -1.269  -0.238   4.302
   52    HA   CYS   8           HA       CYS   8  -3.990  -0.654   3.146
   53    HB2  CYS   8           HB3      CYS   8  -2.829  -1.123   0.910
   54    HB3  CYS   8           HB2      CYS   8  -2.910   0.569   1.403
   55    H    SER   9           H        SER   9  -4.097  -2.878   2.067
   56    HA   SER   9           HA       SER   9  -2.373  -4.818   3.574
   57    HB2  SER   9           HB3      SER   9  -4.312  -5.760   4.261
   58    HB3  SER   9           HB2      SER   9  -5.134  -4.353   3.596
   59    HG   SER   9           HG       SER   9  -5.775  -6.521   2.803
   60    H    ARG  10           H        ARG  10  -3.214  -7.106   2.231
   61    HA   ARG  10           HA       ARG  10  -1.795  -6.803  -0.342
   62    HB2  ARG  10           HB3      ARG  10  -2.895  -9.347   0.856
   63    HB3  ARG  10           HB2      ARG  10  -1.475  -9.149  -0.172
   64    HG2  ARG  10           HG3      ARG  10  -0.626  -7.626   1.803
   65    HG3  ARG  10           HG2      ARG  10  -1.797  -8.548   2.748
   66    HD2  ARG  10           HD3      ARG  10  -0.420 -10.347   2.803
   67    HD3  ARG  10           HD2      ARG  10  -0.217 -10.304   1.039
   68    HE   ARG  10           HE       ARG  10   1.632  -8.766   1.323
   69   HH11  ARG  10          HH11      ARG  10   0.291  -7.643   3.927
   70   HH12  ARG  10          HH12      ARG  10   1.514  -8.056   5.081
   71   HH21  ARG  10          HH22      ARG  10   3.160 -10.242   2.948
   72   HH22  ARG  10          HH21      ARG  10   3.138  -9.532   4.527
   73    H    ILE  11           H        ILE  11  -4.467  -5.770   0.067
   74    HA   ILE  11           HA       ILE  11  -5.914  -7.316  -2.059
   75    HB   ILE  11           HB       ILE  11  -6.915  -5.954   0.455
   76   HG12  ILE  11          HG13      ILE  11  -7.118  -8.785  -0.624
   77   HG13  ILE  11          HG12      ILE  11  -6.119  -8.259   0.730
   78   HG21  ILE  11          HG21      ILE  11  -8.955  -7.301  -1.100
   79   HG22  ILE  11          HG22      ILE  11  -8.199  -6.024  -2.053
   80   HG23  ILE  11          HG23      ILE  11  -8.935  -5.644  -0.496
   81   HD11  ILE  11          HD11      ILE  11  -7.996  -9.059   1.850
   82   HD12  ILE  11          HD12      ILE  11  -9.101  -8.543   0.577
   83   HD13  ILE  11          HD13      ILE  11  -8.407  -7.353   1.678
   84    H    ALA  12           H        ALA  12  -5.777  -4.149  -0.424
   85    HA   ALA  12           HA       ALA  12  -6.789  -2.735  -2.784
   86    HB1  ALA  12           HB1      ALA  12  -5.411  -1.254  -0.624
   87    HB2  ALA  12           HB2      ALA  12  -6.715  -2.303  -0.069
   88    HB3  ALA  12           HB3      ALA  12  -7.043  -1.044  -1.260
   89    H    TYR  13           H        TYR  13  -5.002  -3.636  -4.204
   90    HA   TYR  13           HA       TYR  13  -2.286  -2.757  -3.739
   91    HB2  TYR  13           HB3      TYR  13  -2.061  -3.687  -6.141
   92    HB3  TYR  13           HB2      TYR  13  -2.535  -4.812  -4.871
   93    HD1  TYR  13           HD2      TYR  13  -3.886  -2.624  -7.576
   94    HD2  TYR  13           HD1      TYR  13  -4.604  -5.957  -4.960
   95    HE1  TYR  13           HE2      TYR  13  -5.973  -3.145  -8.811
   96    HE2  TYR  13           HE1      TYR  13  -6.691  -6.475  -6.195
   97    HH   TYR  13           HH       TYR  13  -8.368  -4.952  -7.687
   98    H    ASN  14           H        ASN  14  -4.700  -0.788  -4.300
   99    HA   ASN  14           HA       ASN  14  -3.693   0.626  -6.688
  100    HB2  ASN  14           HB3      ASN  14  -5.628   2.075  -6.244
  101    HB3  ASN  14           HB2      ASN  14  -6.120   0.385  -6.126
  102   HD21  ASN  14          HD22      ASN  14  -5.446   3.306  -4.223
  103   HD22  ASN  14          HD21      ASN  14  -6.148   2.740  -2.786
  104    H    CYS  15           H        CYS  15  -1.680   0.460  -4.831
  105    HA   CYS  15           HA       CYS  15  -1.644   2.868  -3.130
  106    HB2  CYS  15           HB3      CYS  15  -0.691   0.728  -2.392
  107    HB3  CYS  15           HB2      CYS  15   0.394   0.715  -3.783
  108    H    CYS  16           H        CYS  16  -0.555   4.756  -3.635
  109    HA   CYS  16           HA       CYS  16   0.011   5.536  -6.256
  110    HB2  CYS  16           HB3      CYS  16   1.233   6.442  -3.635
  111    HB3  CYS  16           HB2      CYS  16   1.270   7.370  -5.134
  112    H    THR  17           H        THR  17   1.974   3.623  -4.091
  113    HA   THR  17           HA       THR  17   4.378   3.990  -5.810
  114    HB   THR  17           HB       THR  17   4.619   2.177  -3.545
  115    HG1  THR  17           HG1      THR  17   3.505   3.234  -2.140
  116   HG21  THR  17          HG21      THR  17   5.864   4.690  -4.580
  117   HG22  THR  17          HG22      THR  17   6.616   3.140  -4.202
  118   HG23  THR  17          HG23      THR  17   6.163   4.241  -2.902
  119    H    GLY  18           H        GLY  18   1.773   1.865  -5.309
  120    HA2  GLY  18           HA3      GLY  18   1.297   0.026  -6.811
  121    HA3  GLY  18           HA2      GLY  18   3.026  -0.115  -7.135
  122    H    SER  19           H        SER  19   4.316  -0.609  -4.973
  123    HA   SER  19           HA       SER  19   3.161  -3.101  -3.913
  124    HB2  SER  19           HB3      SER  19   5.536  -2.805  -2.669
  125    HB3  SER  19           HB2      SER  19   5.400  -3.394  -4.323
  126    HG   SER  19           HG       SER  19   6.751  -1.351  -3.584
  127    H    CYS  20           H        CYS  20   2.036  -3.165  -2.023
  128    HA   CYS  20           HA       CYS  20   1.893  -0.831  -0.300
  129    HB2  CYS  20           HB3      CYS  20  -0.121  -1.976  -0.866
  130    HB3  CYS  20           HB2      CYS  20   0.584  -3.513  -0.386
  131    H    ARG  21           H        ARG  21   3.447  -0.570   1.276
  132    HA   ARG  21           HA       ARG  21   5.342  -2.420   2.175
  133    HB2  ARG  21           HB3      ARG  21   5.694  -0.223   2.844
  134    HB3  ARG  21           HB2      ARG  21   3.995   0.049   3.196
  135    HG2  ARG  21           HG3      ARG  21   5.029   0.062   5.315
  136    HG3  ARG  21           HG2      ARG  21   4.351  -1.556   5.199
  137    HD2  ARG  21           HD3      ARG  21   6.503  -2.125   5.837
  138    HD3  ARG  21           HD2      ARG  21   6.779  -2.015   4.087
  139    HE   ARG  21           HE       ARG  21   7.099   0.424   5.776
  140   HH11  ARG  21          HH11      ARG  21   9.093  -2.079   5.113
  141   HH12  ARG  21          HH12      ARG  21  10.228  -1.203   4.140
  142   HH21  ARG  21          HH22      ARG  21   8.229   1.619   3.879
  143   HH22  ARG  21          HH21      ARG  21   9.738   0.892   3.441
  144    H    SER  22           H        SER  22   5.321  -3.419   4.489
  145    HA   SER  22           HA       SER  22   3.208  -5.299   4.737
  146    HB2  SER  22           HB3      SER  22   4.432  -5.977   6.700
  147    HB3  SER  22           HB2      SER  22   5.622  -5.430   5.523
  148    HG   SER  22           HG       SER  22   6.214  -4.190   7.129
  149    H    GLY  23           H        GLY  23   1.713  -3.112   4.590
  150    HA2  GLY  23           HA3      GLY  23  -0.257  -2.790   6.158
  151    HA3  GLY  23           HA2      GLY  23   0.948  -2.416   7.390
  152    H    LYS  24           H        LYS  24   2.210  -1.183   4.592
  153    HA   LYS  24           HA       LYS  24   0.694   1.373   4.771
  154    HB2  LYS  24           HB3      LYS  24   3.270   0.834   5.884
  155    HB3  LYS  24           HB2      LYS  24   3.470   1.964   4.558
  156    HG2  LYS  24           HG3      LYS  24   2.664   3.628   5.828
  157    HG3  LYS  24           HG2      LYS  24   1.153   2.742   6.038
  158    HD2  LYS  24           HD3      LYS  24   2.237   3.251   8.216
  159    HD3  LYS  24           HD2      LYS  24   2.105   1.514   7.934
  160    HE2  LYS  24           HE3      LYS  24   4.569   2.299   6.775
  161    HE3  LYS  24           HE2      LYS  24   4.494   3.074   8.370
  162    HZ1  LYS  24           HZ1      LYS  24   5.269   0.632   8.226
  163    HZ2  LYS  24           HZ2      LYS  24   3.622   0.278   8.026
  164    HZ3  LYS  24           HZ3      LYS  24   4.156   1.066   9.434
  165    H    CYS  25           H        CYS  25   2.128   2.927   3.132
  166    HA   CYS  25           HA       CYS  25   2.145   1.418   0.551
  167    HB2  CYS  25           HB3      CYS  25   1.013   3.882   1.511
  168    HB3  CYS  25           HB2      CYS  25   2.007   4.164   0.086
  Start of MODEL    2
    1    H1   CYS   1           H1       CYS   1  -5.965   6.106  -5.825
    2    H2   CYS   1           H2       CYS   1  -4.739   6.414  -6.960
    3    H3   CYS   1           H3       CYS   1  -4.970   7.467  -5.647
    4    HA   CYS   1           HA       CYS   1  -4.343   4.635  -5.128
    5    HB2  CYS   1           HB2      CYS   1  -1.904   5.545  -5.134
    6    HB3  CYS   1           HB3      CYS   1  -2.646   5.150  -6.682
    7    H    LYS   2           H        LYS   2  -2.892   4.657  -3.121
    8    HA   LYS   2           HA       LYS   2  -4.087   6.451  -1.117
    9    HB2  LYS   2           HB3      LYS   2  -2.267   4.058  -1.193
   10    HB3  LYS   2           HB2      LYS   2  -2.392   5.001   0.292
   11    HG2  LYS   2           HG3      LYS   2  -4.626   4.454   0.614
   12    HG3  LYS   2           HG2      LYS   2  -4.912   4.176  -1.104
   13    HD2  LYS   2           HD3      LYS   2  -2.907   2.335  -0.152
   14    HD3  LYS   2           HD2      LYS   2  -4.340   2.234   0.872
   15    HE2  LYS   2           HE3      LYS   2  -4.450   2.147  -2.162
   16    HE3  LYS   2           HE2      LYS   2  -4.444   0.702  -1.130
   17    HZ1  LYS   2           HZ1      LYS   2  -6.432   2.898  -1.183
   18    HZ2  LYS   2           HZ2      LYS   2  -6.311   1.825   0.125
   19    HZ3  LYS   2           HZ3      LYS   2  -6.701   1.238  -1.421
   20    H    GLY   3           H        GLY   3  -0.712   5.493  -1.032
   21    HA2  GLY   3           HA3      GLY   3   0.839   7.442  -1.998
   22    HA3  GLY   3           HA2      GLY   3   0.052   8.336  -0.695
   23    H    THR   4           H        THR   4   2.886   6.969  -1.276
   24    HA   THR   4           HA       THR   4   3.559   5.037   0.560
   25    HB   THR   4           HB       THR   4   5.401   7.287   0.724
   26    HG1  THR   4           HG1      THR   4   5.045   6.510  -1.905
   27   HG21  THR   4          HG21      THR   4   5.320   4.452  -0.048
   28   HG22  THR   4          HG22      THR   4   6.593   5.360   0.768
   29   HG23  THR   4          HG23      THR   4   6.460   5.412  -0.989
   30    H    GLY   5           H        GLY   5   3.257   4.829   2.741
   31    HA2  GLY   5           HA3      GLY   5   3.585   5.758   5.005
   32    HA3  GLY   5           HA2      GLY   5   3.094   7.332   4.367
   33    H    LYS   6           H        LYS   6   1.026   5.720   2.715
   34    HA   LYS   6           HA       LYS   6  -1.171   6.015   4.637
   35    HB2  LYS   6           HB3      LYS   6  -1.171   6.546   2.141
   36    HB3  LYS   6           HB2      LYS   6  -1.172   4.806   1.859
   37    HG2  LYS   6           HG3      LYS   6  -3.454   5.324   1.811
   38    HG3  LYS   6           HG2      LYS   6  -3.217   4.792   3.476
   39    HD2  LYS   6           HD3      LYS   6  -4.489   6.844   3.545
   40    HD3  LYS   6           HD2      LYS   6  -2.857   7.211   4.108
   41    HE2  LYS   6           HE3      LYS   6  -2.936   8.887   2.549
   42    HE3  LYS   6           HE2      LYS   6  -2.623   7.588   1.380
   43    HZ1  LYS   6           HZ1      LYS   6  -5.108   8.962   1.992
   44    HZ2  LYS   6           HZ2      LYS   6  -5.238   7.283   1.800
   45    HZ3  LYS   6           HZ3      LYS   6  -4.600   8.231   0.544
   46    H    SER   7           H        SER   7  -2.568   4.190   5.222
   47    HA   SER   7           HA       SER   7  -1.016   1.664   5.490
   48    HB2  SER   7           HB3      SER   7  -3.425   1.507   6.912
   49    HB3  SER   7           HB2      SER   7  -1.845   1.920   7.569
   50    HG   SER   7           HG       SER   7  -3.131   3.630   8.037
   51    H    CYS   8           H        CYS   8  -1.526  -0.124   4.295
   52    HA   CYS   8           HA       CYS   8  -4.324  -0.399   3.266
   53    HB2  CYS   8           HB3      CYS   8  -3.257  -1.091   1.040
   54    HB3  CYS   8           HB2      CYS   8  -3.167   0.631   1.429
   55    H    SER   9           H        SER   9  -4.582  -2.701   2.308
   56    HA   SER   9           HA       SER   9  -3.221  -4.609   4.157
   57    HB2  SER   9           HB3      SER   9  -5.168  -5.955   3.800
   58    HB3  SER   9           HB2      SER   9  -5.755  -4.300   3.929
   59    HG   SER   9           HG       SER   9  -6.249  -5.903   1.996
   60    H    ARG  10           H        ARG  10  -3.348  -6.967   2.882
   61    HA   ARG  10           HA       ARG  10  -1.442  -6.651   0.645
   62    HB2  ARG  10           HB3      ARG  10  -2.454  -9.213   1.890
   63    HB3  ARG  10           HB2      ARG  10  -0.897  -8.927   1.111
   64    HG2  ARG  10           HG3      ARG  10  -0.257  -7.398   2.925
   65    HG3  ARG  10           HG2      ARG  10  -1.819  -7.653   3.701
   66    HD2  ARG  10           HD3      ARG  10  -0.648 -10.222   3.152
   67    HD3  ARG  10           HD2      ARG  10   0.530  -9.223   4.027
   68    HE   ARG  10           HE       ARG  10  -2.232  -9.834   4.985
   69   HH11  ARG  10          HH22      ARG  10   0.147  -7.525   5.417
   70   HH12  ARG  10          HH21      ARG  10   0.337  -7.772   7.121
   71   HH21  ARG  10          HH11      ARG  10  -1.658 -10.611   7.194
   72   HH22  ARG  10          HH12      ARG  10  -0.688  -9.523   8.129
   73    H    ILE  11           H        ILE  11  -4.265  -6.017   0.417
   74    HA   ILE  11           HA       ILE  11  -4.966  -7.828  -1.864
   75    HB   ILE  11           HB       ILE  11  -6.761  -6.655   0.285
   76   HG12  ILE  11          HG13      ILE  11  -6.434  -9.570  -0.405
   77   HG13  ILE  11          HG12      ILE  11  -5.294  -8.781   0.686
   78   HG21  ILE  11          HG21      ILE  11  -8.484  -8.131  -0.952
   79   HG22  ILE  11          HG22      ILE  11  -7.344  -8.100  -2.298
   80   HG23  ILE  11          HG23      ILE  11  -8.044  -6.595  -1.701
   81   HD11  ILE  11          HD11      ILE  11  -6.801  -8.690   2.376
   82   HD12  ILE  11          HD12      ILE  11  -7.708  -9.887   1.449
   83   HD13  ILE  11          HD13      ILE  11  -8.100  -8.172   1.301
   84    H    ALA  12           H        ALA  12  -5.647  -4.709  -0.290
   85    HA   ALA  12           HA       ALA  12  -6.547  -3.467  -2.787
   86    HB1  ALA  12           HB1      ALA  12  -6.262  -2.816   0.100
   87    HB2  ALA  12           HB2      ALA  12  -7.603  -2.485  -0.997
   88    HB3  ALA  12           HB3      ALA  12  -6.179  -1.445  -1.006
   89    H    TYR  13           H        TYR  13  -4.457  -3.998  -3.936
   90    HA   TYR  13           HA       TYR  13  -2.017  -2.671  -3.116
   91    HB2  TYR  13           HB3      TYR  13  -1.372  -3.435  -5.520
   92    HB3  TYR  13           HB2      TYR  13  -1.736  -4.676  -4.325
   93    HD1  TYR  13           HD2      TYR  13  -3.436  -2.575  -6.939
   94    HD2  TYR  13           HD1      TYR  13  -3.320  -6.308  -4.818
   95    HE1  TYR  13           HE2      TYR  13  -5.264  -3.445  -8.370
   96    HE2  TYR  13           HE1      TYR  13  -5.147  -7.177  -6.250
   97    HH   TYR  13           HH       TYR  13  -6.868  -6.459  -7.671
   98    H    ASN  14           H        ASN  14  -3.955  -0.690  -3.216
   99    HA   ASN  14           HA       ASN  14  -3.580   0.701  -5.820
  100    HB2  ASN  14           HB3      ASN  14  -5.855   0.479  -4.993
  101    HB3  ASN  14           HB2      ASN  14  -5.390   1.137  -3.424
  102   HD21  ASN  14          HD22      ASN  14  -6.250   3.217  -3.288
  103   HD22  ASN  14          HD21      ASN  14  -6.181   4.378  -4.525
  104    H    CYS  15           H        CYS  15  -1.263   0.570  -4.274
  105    HA   CYS  15           HA       CYS  15  -1.032   3.104  -2.750
  106    HB2  CYS  15           HB3      CYS  15   0.613   0.647  -3.261
  107    HB3  CYS  15           HB2      CYS  15   1.434   2.110  -2.717
  108    H    CYS  16           H        CYS  16  -0.561   4.953  -3.872
  109    HA   CYS  16           HA       CYS  16   0.040   5.132  -6.601
  110    HB2  CYS  16           HB3      CYS  16  -0.399   6.806  -4.423
  111    HB3  CYS  16           HB2      CYS  16   1.215   7.251  -4.976
  112    H    THR  17           H        THR  17   2.138   4.196  -4.016
  113    HA   THR  17           HA       THR  17   4.607   4.963  -5.435
  114    HB   THR  17           HB       THR  17   4.312   5.071  -2.952
  115    HG1  THR  17           HG1      THR  17   6.381   4.847  -3.105
  116   HG21  THR  17          HG21      THR  17   3.352   3.339  -1.896
  117   HG22  THR  17          HG22      THR  17   4.736   2.331  -2.318
  118   HG23  THR  17          HG23      THR  17   3.342   2.411  -3.395
  119    H    GLY  18           H        GLY  18   2.454   2.328  -5.391
  120    HA2  GLY  18           HA3      GLY  18   3.096   0.761  -7.374
  121    HA3  GLY  18           HA2      GLY  18   4.542   0.459  -6.409
  122    H    SER  19           H        SER  19   4.433  -1.185  -4.947
  123    HA   SER  19           HA       SER  19   1.866  -2.602  -4.612
  124    HB2  SER  19           HB3      SER  19   4.381  -3.436  -4.974
  125    HB3  SER  19           HB2      SER  19   4.398  -3.362  -3.215
  126    HG   SER  19           HG       SER  19   2.548  -4.762  -4.858
  127    H    CYS  20           H        CYS  20   1.032  -3.112  -2.470
  128    HA   CYS  20           HA       CYS  20   1.177  -0.902  -0.620
  129    HB2  CYS  20           HB3      CYS  20  -0.924  -1.919  -1.009
  130    HB3  CYS  20           HB2      CYS  20  -0.245  -3.520  -0.753
  131    H    ARG  21           H        ARG  21   2.889  -0.762   0.812
  132    HA   ARG  21           HA       ARG  21   4.736  -2.769   1.467
  133    HB2  ARG  21           HB3      ARG  21   4.807  -0.289   1.961
  134    HB3  ARG  21           HB2      ARG  21   3.681  -0.579   3.286
  135    HG2  ARG  21           HG3      ARG  21   5.258  -1.976   4.436
  136    HG3  ARG  21           HG2      ARG  21   6.332  -2.020   3.038
  137    HD2  ARG  21           HD3      ARG  21   5.883   0.729   3.673
  138    HD3  ARG  21           HD2      ARG  21   6.317  -0.111   5.175
  139    HE   ARG  21           HE       ARG  21   8.035  -1.106   3.168
  140   HH11  ARG  21          HH11      ARG  21   7.243   2.127   3.486
  141   HH12  ARG  21          HH12      ARG  21   8.845   2.673   3.858
  142   HH21  ARG  21          HH22      ARG  21  10.142  -0.527   4.185
  143   HH22  ARG  21          HH21      ARG  21  10.487   1.169   4.252
  144    H    SER  22           H        SER  22   4.894  -3.714   3.819
  145    HA   SER  22           HA       SER  22   2.729  -5.502   4.259
  146    HB2  SER  22           HB3      SER  22   5.267  -5.573   4.860
  147    HB3  SER  22           HB2      SER  22   4.777  -4.725   6.324
  148    HG   SER  22           HG       SER  22   4.484  -6.756   6.923
  149    H    GLY  23           H        GLY  23   1.336  -3.216   4.236
  150    HA2  GLY  23           HA3      GLY  23  -0.484  -2.832   5.966
  151    HA3  GLY  23           HA2      GLY  23   0.835  -2.545   7.102
  152    H    LYS  24           H        LYS  24   1.886  -1.312   4.204
  153    HA   LYS  24           HA       LYS  24   0.479   1.277   4.502
  154    HB2  LYS  24           HB3      LYS  24   3.018   0.681   5.651
  155    HB3  LYS  24           HB2      LYS  24   3.278   1.824   4.346
  156    HG2  LYS  24           HG3      LYS  24   1.643   3.354   5.289
  157    HG3  LYS  24           HG2      LYS  24   1.219   2.185   6.541
  158    HD2  LYS  24           HD3      LYS  24   3.622   2.276   7.315
  159    HD3  LYS  24           HD2      LYS  24   3.870   3.608   6.185
  160    HE2  LYS  24           HE3      LYS  24   2.138   4.935   7.320
  161    HE3  LYS  24           HE2      LYS  24   1.826   3.590   8.436
  162    HZ1  LYS  24           HZ1      LYS  24   3.571   5.449   9.027
  163    HZ2  LYS  24           HZ2      LYS  24   4.593   4.485   8.077
  164    HZ3  LYS  24           HZ3      LYS  24   3.841   3.825   9.449
  165    H    CYS  25           H        CYS  25   2.041   2.844   2.921
  166    HA   CYS  25           HA       CYS  25   1.937   1.433   0.300
  167    HB2  CYS  25           HB3      CYS  25   1.346   4.128   1.328
  168    HB3  CYS  25           HB2      CYS  25   1.994   4.063  -0.301
  Start of MODEL    3
    1    H1   CYS   1           H1       CYS   1  -4.776   6.114  -6.798
    2    H2   CYS   1           H2       CYS   1  -4.963   7.301  -5.596
    3    H3   CYS   1           H3       CYS   1  -5.964   5.928  -5.602
    4    HA   CYS   1           HA       CYS   1  -4.277   4.515  -4.868
    5    HB2  CYS   1           HB2      CYS   1  -1.878   5.511  -4.907
    6    HB3  CYS   1           HB3      CYS   1  -2.595   5.034  -6.445
    7    H    LYS   2           H        LYS   2  -2.766   4.764  -2.882
    8    HA   LYS   2           HA       LYS   2  -4.058   6.667  -1.008
    9    HB2  LYS   2           HB3      LYS   2  -1.948   4.617  -0.364
   10    HB3  LYS   2           HB2      LYS   2  -3.261   5.189   0.653
   11    HG2  LYS   2           HG3      LYS   2  -4.887   4.095  -0.904
   12    HG3  LYS   2           HG2      LYS   2  -3.520   3.427  -1.798
   13    HD2  LYS   2           HD3      LYS   2  -2.828   2.672   0.703
   14    HD3  LYS   2           HD2      LYS   2  -4.583   2.674   0.873
   15    HE2  LYS   2           HE3      LYS   2  -4.014   1.441  -1.626
   16    HE3  LYS   2           HE2      LYS   2  -2.936   0.707  -0.427
   17    HZ1  LYS   2           HZ1      LYS   2  -5.877   0.865  -0.423
   18    HZ2  LYS   2           HZ2      LYS   2  -5.043   0.778   1.052
   19    HZ3  LYS   2           HZ3      LYS   2  -4.876  -0.468  -0.092
   20    H    GLY   3           H        GLY   3  -0.717   5.573  -1.603
   21    HA2  GLY   3           HA3      GLY   3   0.974   7.317  -2.263
   22    HA3  GLY   3           HA2      GLY   3   0.192   8.377  -1.088
   23    H    THR   4           H        THR   4   2.986   6.985  -1.348
   24    HA   THR   4           HA       THR   4   3.532   5.116   0.591
   25    HB   THR   4           HB       THR   4   5.384   7.295   0.891
   26    HG1  THR   4           HG1      THR   4   4.550   8.244  -0.906
   27   HG21  THR   4          HG21      THR   4   5.310   4.639  -0.522
   28   HG22  THR   4          HG22      THR   4   6.210   5.094   0.925
   29   HG23  THR   4          HG23      THR   4   6.717   5.692  -0.654
   30    H    GLY   5           H        GLY   5   3.136   4.975   2.762
   31    HA2  GLY   5           HA3      GLY   5   3.308   6.011   5.003
   32    HA3  GLY   5           HA2      GLY   5   2.754   7.523   4.279
   33    H    LYS   6           H        LYS   6   0.850   5.734   2.604
   34    HA   LYS   6           HA       LYS   6  -1.397   5.923   4.500
   35    HB2  LYS   6           HB3      LYS   6  -0.943   5.470   1.585
   36    HB3  LYS   6           HB2      LYS   6  -2.443   4.845   2.269
   37    HG2  LYS   6           HG3      LYS   6  -1.818   7.547   3.195
   38    HG3  LYS   6           HG2      LYS   6  -2.020   7.455   1.446
   39    HD2  LYS   6           HD3      LYS   6  -4.180   6.196   1.861
   40    HD3  LYS   6           HD2      LYS   6  -3.996   6.586   3.570
   41    HE2  LYS   6           HE3      LYS   6  -4.464   8.827   3.247
   42    HE3  LYS   6           HE2      LYS   6  -3.772   8.841   1.614
   43    HZ1  LYS   6           HZ1      LYS   6  -5.753   8.379   0.755
   44    HZ2  LYS   6           HZ2      LYS   6  -6.445   8.524   2.296
   45    HZ3  LYS   6           HZ3      LYS   6  -5.923   7.006   1.742
   46    H    SER   7           H        SER   7  -2.481   4.140   5.372
   47    HA   SER   7           HA       SER   7  -0.967   1.631   5.494
   48    HB2  SER   7           HB3      SER   7  -2.944   1.091   7.050
   49    HB3  SER   7           HB2      SER   7  -1.917   2.446   7.511
   50    HG   SER   7           HG       SER   7  -4.144   2.861   5.848
   51    H    CYS   8           H        CYS   8  -1.389  -0.195   4.312
   52    HA   CYS   8           HA       CYS   8  -4.099  -0.506   3.079
   53    HB2  CYS   8           HB3      CYS   8  -2.935  -1.224   0.971
   54    HB3  CYS   8           HB2      CYS   8  -2.652   0.472   1.378
   55    H    SER   9           H        SER   9  -3.833  -2.898   1.847
   56    HA   SER   9           HA       SER   9  -2.555  -4.743   3.831
   57    HB2  SER   9           HB3      SER   9  -5.391  -4.302   3.167
   58    HB3  SER   9           HB2      SER   9  -4.903  -5.994   3.145
   59    HG   SER   9           HG       SER   9  -5.195  -5.778   5.231
   60    H    ARG  10           H        ARG  10  -3.407  -7.115   2.711
   61    HA   ARG  10           HA       ARG  10  -1.877  -7.159   0.188
   62    HB2  ARG  10           HB3      ARG  10  -1.770  -9.532   0.603
   63    HB3  ARG  10           HB2      ARG  10  -1.564  -8.746   2.169
   64    HG2  ARG  10           HG3      ARG  10  -4.174  -8.951   2.316
   65    HG3  ARG  10           HG2      ARG  10  -3.964 -10.198   1.087
   66    HD2  ARG  10           HD3      ARG  10  -2.776 -11.605   2.523
   67    HD3  ARG  10           HD2      ARG  10  -2.230 -10.261   3.546
   68    HE   ARG  10           HE       ARG  10  -4.540 -10.089   4.419
   69   HH11  ARG  10          HH22      ARG  10  -4.815 -12.176   1.849
   70   HH12  ARG  10          HH21      ARG  10  -5.649 -13.429   2.706
   71   HH21  ARG  10          HH11      ARG  10  -5.160 -11.989   5.823
   72   HH22  ARG  10          HH12      ARG  10  -5.840 -13.324   4.956
   73    H    ILE  11           H        ILE  11  -4.516  -5.977   0.338
   74    HA   ILE  11           HA       ILE  11  -5.900  -7.682  -1.699
   75    HB   ILE  11           HB       ILE  11  -7.024  -6.214   0.700
   76   HG12  ILE  11          HG13      ILE  11  -7.179  -9.112  -0.193
   77   HG13  ILE  11          HG12      ILE  11  -6.132  -8.500   1.086
   78   HG21  ILE  11          HG21      ILE  11  -8.523  -5.760  -1.128
   79   HG22  ILE  11          HG22      ILE  11  -9.243  -7.069  -0.188
   80   HG23  ILE  11          HG23      ILE  11  -8.413  -7.425  -1.703
   81   HD11  ILE  11          HD11      ILE  11  -8.425  -7.519   2.013
   82   HD12  ILE  11          HD12      ILE  11  -7.942  -9.179   2.357
   83   HD13  ILE  11          HD13      ILE  11  -9.103  -8.847   1.072
   84    H    ALA  12           H        ALA  12  -6.182  -4.449  -0.200
   85    HA   ALA  12           HA       ALA  12  -6.972  -3.220  -2.738
   86    HB1  ALA  12           HB1      ALA  12  -7.221  -1.263  -1.372
   87    HB2  ALA  12           HB2      ALA  12  -6.108  -1.889  -0.158
   88    HB3  ALA  12           HB3      ALA  12  -7.701  -2.619  -0.353
   89    H    TYR  13           H        TYR  13  -4.885  -4.010  -3.802
   90    HA   TYR  13           HA       TYR  13  -2.397  -2.751  -3.031
   91    HB2  TYR  13           HB3      TYR  13  -1.747  -3.769  -5.355
   92    HB3  TYR  13           HB2      TYR  13  -2.132  -4.851  -4.022
   93    HD1  TYR  13           HD1      TYR  13  -4.122  -2.898  -6.561
   94    HD2  TYR  13           HD2      TYR  13  -3.411  -6.673  -4.638
   95    HE1  TYR  13           HE1      TYR  13  -5.938  -3.920  -7.896
   96    HE2  TYR  13           HE2      TYR  13  -5.232  -7.696  -5.976
   97    HH   TYR  13           HH       TYR  13  -7.427  -6.678  -7.166
   98    H    ASN  14           H        ASN  14  -4.006  -0.628  -3.276
   99    HA   ASN  14           HA       ASN  14  -3.485   0.503  -6.001
  100    HB2  ASN  14           HB3      ASN  14  -5.283   2.123  -5.310
  101    HB3  ASN  14           HB2      ASN  14  -5.834   0.448  -5.327
  102   HD21  ASN  14          HD22      ASN  14  -5.503   3.249  -3.346
  103   HD22  ASN  14          HD21      ASN  14  -5.907   2.522  -1.866
  104    H    CYS  15           H        CYS  15  -1.307   0.369  -4.291
  105    HA   CYS  15           HA       CYS  15  -1.017   2.840  -2.739
  106    HB2  CYS  15           HB3      CYS  15   0.520   0.388  -3.399
  107    HB3  CYS  15           HB2      CYS  15   1.491   1.817  -3.046
  108    H    CYS  16           H        CYS  16  -0.419   4.780  -3.610
  109    HA   CYS  16           HA       CYS  16   0.096   5.147  -6.389
  110    HB2  CYS  16           HB3      CYS  16  -0.563   6.659  -4.172
  111    HB3  CYS  16           HB2      CYS  16   1.064   7.220  -4.556
  112    H    THR  17           H        THR  17   2.114   3.916  -3.976
  113    HA   THR  17           HA       THR  17   4.600   5.025  -5.171
  114    HB   THR  17           HB       THR  17   4.047   3.325  -2.720
  115    HG1  THR  17           HG1      THR  17   3.271   5.498  -2.680
  116   HG21  THR  17          HG21      THR  17   6.468   4.495  -2.312
  117   HG22  THR  17          HG22      THR  17   6.528   4.227  -4.053
  118   HG23  THR  17          HG23      THR  17   6.265   2.868  -2.960
  119    H    GLY  18           H        GLY  18   2.600   2.319  -5.481
  120    HA2  GLY  18           HA3      GLY  18   3.448   0.841  -7.414
  121    HA3  GLY  18           HA2      GLY  18   4.884   0.626  -6.413
  122    H    SER  19           H        SER  19   4.773  -0.768  -4.609
  123    HA   SER  19           HA       SER  19   2.387  -2.557  -4.583
  124    HB2  SER  19           HB3      SER  19   5.218  -2.855  -4.478
  125    HB3  SER  19           HB2      SER  19   4.571  -3.438  -2.947
  126    HG   SER  19           HG       SER  19   3.379  -4.141  -5.404
  127    H    CYS  20           H        CYS  20   1.483  -3.201  -2.503
  128    HA   CYS  20           HA       CYS  20   1.314  -1.046  -0.595
  129    HB2  CYS  20           HB3      CYS  20  -0.659  -2.222  -1.133
  130    HB3  CYS  20           HB2      CYS  20   0.146  -3.768  -0.916
  131    H    ARG  21           H        ARG  21   3.030  -0.784   0.820
  132    HA   ARG  21           HA       ARG  21   4.934  -2.689   1.612
  133    HB2  ARG  21           HB3      ARG  21   5.503  -0.565   2.275
  134    HB3  ARG  21           HB2      ARG  21   3.833  -0.093   2.529
  135    HG2  ARG  21           HG3      ARG  21   4.565  -0.047   4.708
  136    HG3  ARG  21           HG2      ARG  21   4.088  -1.734   4.641
  137    HD2  ARG  21           HD3      ARG  21   6.270  -1.879   5.506
  138    HD3  ARG  21           HD2      ARG  21   6.568  -2.080   3.767
  139    HE   ARG  21           HE       ARG  21   6.643   0.645   4.990
  140   HH11  ARG  21          HH11      ARG  21   7.482  -1.253   2.359
  141   HH12  ARG  21          HH12      ARG  21   9.099  -0.652   2.214
  142   HH21  ARG  21          HH22      ARG  21   8.984   1.139   5.182
  143   HH22  ARG  21          HH21      ARG  21   9.950   0.705   3.811
  144    H    SER  22           H        SER  22   5.035  -3.672   3.919
  145    HA   SER  22           HA       SER  22   2.833  -5.420   4.330
  146    HB2  SER  22           HB3      SER  22   5.439  -4.771   5.542
  147    HB3  SER  22           HB2      SER  22   4.270  -5.463   6.663
  148    HG   SER  22           HG       SER  22   3.937  -7.098   4.978
  149    H    GLY  23           H        GLY  23   1.479  -3.133   4.315
  150    HA2  GLY  23           HA3      GLY  23  -0.331  -2.762   6.082
  151    HA3  GLY  23           HA2      GLY  23   1.010  -2.409   7.172
  152    H    LYS  24           H        LYS  24   1.999  -1.224   4.231
  153    HA   LYS  24           HA       LYS  24   0.493   1.325   4.432
  154    HB2  LYS  24           HB3      LYS  24   3.014   0.839   5.671
  155    HB3  LYS  24           HB2      LYS  24   3.266   1.976   4.358
  156    HG2  LYS  24           HG3      LYS  24   0.997   3.002   5.414
  157    HG3  LYS  24           HG2      LYS  24   1.722   2.312   6.869
  158    HD2  LYS  24           HD3      LYS  24   3.172   4.151   4.944
  159    HD3  LYS  24           HD2      LYS  24   2.431   4.676   6.457
  160    HE2  LYS  24           HE3      LYS  24   4.752   2.755   6.103
  161    HE3  LYS  24           HE2      LYS  24   4.729   4.286   7.002
  162    HZ1  LYS  24           HZ1      LYS  24   2.833   3.229   8.306
  163    HZ2  LYS  24           HZ2      LYS  24   4.398   2.664   8.632
  164    HZ3  LYS  24           HZ3      LYS  24   3.353   1.749   7.655
  165    H    CYS  25           H        CYS  25   1.973   2.929   2.880
  166    HA   CYS  25           HA       CYS  25   2.090   1.469   0.288
  167    HB2  CYS  25           HB3      CYS  25   1.256   4.117   1.238
  168    HB3  CYS  25           HB2      CYS  25   2.058   4.118  -0.324
  Start of MODEL    4
    1    H1   CYS   1           H1       CYS   1  -4.751   7.352  -5.798
    2    H2   CYS   1           H2       CYS   1  -5.752   6.006  -6.070
    3    H3   CYS   1           H3       CYS   1  -4.469   6.343  -7.132
    4    HA   CYS   1           HA       CYS   1  -4.123   4.485  -5.420
    5    HB2  CYS   1           HB2      CYS   1  -1.738   5.446  -5.123
    6    HB3  CYS   1           HB3      CYS   1  -2.329   5.231  -6.769
    7    H    LYS   2           H        LYS   2  -2.731   4.472  -3.301
    8    HA   LYS   2           HA       LYS   2  -4.265   5.911  -1.245
    9    HB2  LYS   2           HB3      LYS   2  -2.383   3.643  -1.494
   10    HB3  LYS   2           HB2      LYS   2  -2.272   4.533   0.025
   11    HG2  LYS   2           HG3      LYS   2  -3.921   2.646   0.106
   12    HG3  LYS   2           HG2      LYS   2  -4.647   4.219   0.441
   13    HD2  LYS   2           HD3      LYS   2  -4.601   3.419  -2.413
   14    HD3  LYS   2           HD2      LYS   2  -5.657   2.464  -1.372
   15    HE2  LYS   2           HE3      LYS   2  -6.193   5.038  -0.524
   16    HE3  LYS   2           HE2      LYS   2  -5.965   5.247  -2.271
   17    HZ1  LYS   2           HZ1      LYS   2  -8.067   4.473  -2.363
   18    HZ2  LYS   2           HZ2      LYS   2  -7.987   3.728  -0.842
   19    HZ3  LYS   2           HZ3      LYS   2  -7.324   2.953  -2.200
   20    H    GLY   3           H        GLY   3  -0.753   5.406  -1.460
   21    HA2  GLY   3           HA3      GLY   3   0.548   7.606  -1.969
   22    HA3  GLY   3           HA2      GLY   3  -0.378   8.239  -0.607
   23    H    THR   4           H        THR   4   2.594   7.066  -1.344
   24    HA   THR   4           HA       THR   4   3.390   5.124   0.437
   25    HB   THR   4           HB       THR   4   5.034   7.584   0.498
   26    HG1  THR   4           HG1      THR   4   5.424   7.357  -1.789
   27   HG21  THR   4          HG21      THR   4   5.418   4.734  -0.446
   28   HG22  THR   4          HG22      THR   4   6.009   5.446   1.054
   29   HG23  THR   4          HG23      THR   4   6.685   5.961  -0.492
   30    H    GLY   5           H        GLY   5   3.442   4.913   2.682
   31    HA2  GLY   5           HA3      GLY   5   3.651   5.808   4.926
   32    HA3  GLY   5           HA2      GLY   5   3.135   7.384   4.315
   33    H    LYS   6           H        LYS   6   1.043   5.761   2.690
   34    HA   LYS   6           HA       LYS   6  -1.107   6.018   4.674
   35    HB2  LYS   6           HB3      LYS   6  -1.578   6.675   2.427
   36    HB3  LYS   6           HB2      LYS   6  -0.862   5.205   1.768
   37    HG2  LYS   6           HG3      LYS   6  -3.238   4.925   1.631
   38    HG3  LYS   6           HG2      LYS   6  -2.692   3.913   2.966
   39    HD2  LYS   6           HD3      LYS   6  -3.161   6.035   4.427
   40    HD3  LYS   6           HD2      LYS   6  -4.162   6.534   3.061
   41    HE2  LYS   6           HE3      LYS   6  -5.277   4.225   3.215
   42    HE3  LYS   6           HE2      LYS   6  -4.475   4.066   4.791
   43    HZ1  LYS   6           HZ1      LYS   6  -6.604   5.877   3.973
   44    HZ2  LYS   6           HZ2      LYS   6  -5.407   6.542   4.974
   45    HZ3  LYS   6           HZ3      LYS   6  -6.292   5.188   5.494
   46    H    SER   7           H        SER   7  -2.563   4.098   5.104
   47    HA   SER   7           HA       SER   7  -0.901   1.635   5.387
   48    HB2  SER   7           HB3      SER   7  -2.559   1.082   7.132
   49    HB3  SER   7           HB2      SER   7  -1.861   2.678   7.396
   50    HG   SER   7           HG       SER   7  -4.347   2.198   7.330
   51    H    CYS   8           H        CYS   8  -1.374  -0.159   4.179
   52    HA   CYS   8           HA       CYS   8  -4.143  -0.407   3.049
   53    HB2  CYS   8           HB3      CYS   8  -3.036  -1.160   0.911
   54    HB3  CYS   8           HB2      CYS   8  -2.731   0.534   1.304
   55    H    SER   9           H        SER   9  -4.316  -2.749   2.049
   56    HA   SER   9           HA       SER   9  -3.045  -4.651   3.992
   57    HB2  SER   9           HB3      SER   9  -5.116  -5.934   3.722
   58    HB3  SER   9           HB2      SER   9  -5.504  -4.269   4.147
   59    HG   SER   9           HG       SER   9  -6.133  -3.884   2.102
   60    H    ARG  10           H        ARG  10  -3.612  -7.025   2.766
   61    HA   ARG  10           HA       ARG  10  -1.831  -6.965   0.411
   62    HB2  ARG  10           HB3      ARG  10  -1.630  -9.334   0.827
   63    HB3  ARG  10           HB2      ARG  10  -1.610  -8.546   2.405
   64    HG2  ARG  10           HG3      ARG  10  -3.915  -9.091   2.800
   65    HG3  ARG  10           HG2      ARG  10  -4.135  -9.630   1.135
   66    HD2  ARG  10           HD3      ARG  10  -3.410 -11.710   1.663
   67    HD3  ARG  10           HD2      ARG  10  -1.929 -11.053   2.388
   68    HE   ARG  10           HE       ARG  10  -4.289 -10.611   4.043
   69   HH11  ARG  10          HH11      ARG  10  -1.337 -11.259   4.773
   70   HH12  ARG  10          HH12      ARG  10  -1.550 -12.787   5.561
   71   HH21  ARG  10          HH22      ARG  10  -4.771 -13.253   4.358
   72   HH22  ARG  10          HH21      ARG  10  -3.495 -13.920   5.321
   73    H    ILE  11           H        ILE  11  -4.532  -5.939   0.305
   74    HA   ILE  11           HA       ILE  11  -5.594  -7.655  -1.905
   75    HB   ILE  11           HB       ILE  11  -7.073  -6.380   0.417
   76   HG12  ILE  11          HG13      ILE  11  -7.081  -9.260  -0.514
   77   HG13  ILE  11          HG12      ILE  11  -5.918  -8.656   0.667
   78   HG21  ILE  11          HG21      ILE  11  -8.078  -7.595  -2.164
   79   HG22  ILE  11          HG22      ILE  11  -8.452  -6.008  -1.495
   80   HG23  ILE  11          HG23      ILE  11  -9.093  -7.461  -0.729
   81   HD11  ILE  11          HD11      ILE  11  -8.936  -8.701   0.918
   82   HD12  ILE  11          HD12      ILE  11  -7.887  -7.817   2.024
   83   HD13  ILE  11          HD13      ILE  11  -7.765  -9.572   1.909
   84    H    ALA  12           H        ALA  12  -5.817  -4.509  -0.264
   85    HA   ALA  12           HA       ALA  12  -6.745  -3.139  -2.687
   86    HB1  ALA  12           HB1      ALA  12  -7.285  -2.645  -0.212
   87    HB2  ALA  12           HB2      ALA  12  -6.886  -1.258  -1.226
   88    HB3  ALA  12           HB3      ALA  12  -5.676  -1.925  -0.129
   89    H    TYR  13           H        TYR  13  -4.796  -3.871  -3.969
   90    HA   TYR  13           HA       TYR  13  -2.187  -2.802  -3.301
   91    HB2  TYR  13           HB3      TYR  13  -1.771  -3.610  -5.736
   92    HB3  TYR  13           HB2      TYR  13  -2.198  -4.822  -4.530
   93    HD1  TYR  13           HD1      TYR  13  -3.752  -2.549  -7.082
   94    HD2  TYR  13           HD2      TYR  13  -4.035  -6.229  -4.884
   95    HE1  TYR  13           HE1      TYR  13  -5.746  -3.185  -8.406
   96    HE2  TYR  13           HE2      TYR  13  -6.030  -6.867  -6.212
   97    HH   TYR  13           HH       TYR  13  -7.355  -6.328  -7.911
   98    H    ASN  14           H        ASN  14  -3.960  -0.658  -3.279
   99    HA   ASN  14           HA       ASN  14  -3.498   0.743  -5.874
  100    HB2  ASN  14           HB3      ASN  14  -5.821   0.476  -4.986
  101    HB3  ASN  14           HB2      ASN  14  -5.341   1.372  -3.544
  102   HD21  ASN  14          HD22      ASN  14  -6.569   3.289  -3.877
  103   HD22  ASN  14          HD21      ASN  14  -6.358   4.309  -5.217
  104    H    CYS  15           H        CYS  15  -1.268   0.483  -4.224
  105    HA   CYS  15           HA       CYS  15  -0.999   2.909  -2.563
  106    HB2  CYS  15           HB3      CYS  15   0.531   0.437  -3.206
  107    HB3  CYS  15           HB2      CYS  15   1.484   1.842  -2.733
  108    H    CYS  16           H        CYS  16  -0.480   4.843  -3.510
  109    HA   CYS  16           HA       CYS  16   0.140   5.219  -6.230
  110    HB2  CYS  16           HB3      CYS  16  -0.409   6.746  -4.000
  111    HB3  CYS  16           HB2      CYS  16   1.259   7.192  -4.363
  112    H    THR  17           H        THR  17   2.144   4.101  -3.666
  113    HA   THR  17           HA       THR  17   4.672   4.974  -4.876
  114    HB   THR  17           HB       THR  17   4.148   2.975  -2.664
  115    HG1  THR  17           HG1      THR  17   4.729   5.657  -2.173
  116   HG21  THR  17          HG21      THR  17   6.380   4.054  -1.896
  117   HG22  THR  17          HG22      THR  17   6.502   4.623  -3.561
  118   HG23  THR  17          HG23      THR  17   6.430   2.894  -3.224
  119    H    GLY  18           H        GLY  18   2.526   2.317  -5.177
  120    HA2  GLY  18           HA3      GLY  18   3.198   1.012  -7.335
  121    HA3  GLY  18           HA2      GLY  18   4.657   0.638  -6.418
  122    H    SER  19           H        SER  19   4.445  -0.708  -4.508
  123    HA   SER  19           HA       SER  19   2.011  -2.447  -4.618
  124    HB2  SER  19           HB3      SER  19   4.879  -2.859  -3.736
  125    HB3  SER  19           HB2      SER  19   3.617  -4.054  -3.453
  126    HG   SER  19           HG       SER  19   3.242  -3.692  -5.855
  127    H    CYS  20           H        CYS  20   1.249  -3.280  -2.485
  128    HA   CYS  20           HA       CYS  20   1.083  -1.172  -0.520
  129    HB2  CYS  20           HB3      CYS  20  -0.832  -2.515  -1.084
  130    HB3  CYS  20           HB2      CYS  20   0.061  -3.977  -0.683
  131    H    ARG  21           H        ARG  21   2.916  -0.871   0.753
  132    HA   ARG  21           HA       ARG  21   4.876  -2.784   1.419
  133    HB2  ARG  21           HB3      ARG  21   4.726  -0.212   1.757
  134    HB3  ARG  21           HB2      ARG  21   3.936  -0.602   3.286
  135    HG2  ARG  21           HG3      ARG  21   6.318  -2.218   2.909
  136    HG3  ARG  21           HG2      ARG  21   6.701  -0.499   2.811
  137    HD2  ARG  21           HD3      ARG  21   5.482  -0.136   4.966
  138    HD3  ARG  21           HD2      ARG  21   5.239  -1.891   5.083
  139    HE   ARG  21           HE       ARG  21   7.982  -1.512   4.576
  140   HH11  ARG  21          HH22      ARG  21   6.160  -2.439   7.081
  141   HH12  ARG  21          HH21      ARG  21   7.067  -1.661   8.334
  142   HH21  ARG  21          HH11      ARG  21   8.946   0.264   6.151
  143   HH22  ARG  21          HH12      ARG  21   8.640  -0.131   7.809
  144    H    SER  22           H        SER  22   5.169  -3.388   3.929
  145    HA   SER  22           HA       SER  22   3.227  -5.343   4.591
  146    HB2  SER  22           HB3      SER  22   5.783  -4.441   5.424
  147    HB3  SER  22           HB2      SER  22   4.767  -4.491   6.863
  148    HG   SER  22           HG       SER  22   5.462  -6.532   6.678
  149    H    GLY  23           H        GLY  23   1.553  -3.296   4.283
  150    HA2  GLY  23           HA3      GLY  23  -0.358  -2.821   5.789
  151    HA3  GLY  23           HA2      GLY  23   0.821  -2.493   7.060
  152    H    LYS  24           H        LYS  24   2.028  -1.297   4.154
  153    HA   LYS  24           HA       LYS  24   0.627   1.303   4.441
  154    HB2  LYS  24           HB3      LYS  24   3.180   0.693   5.554
  155    HB3  LYS  24           HB2      LYS  24   3.417   1.842   4.252
  156    HG2  LYS  24           HG3      LYS  24   2.410   3.520   5.390
  157    HG3  LYS  24           HG2      LYS  24   1.114   2.469   5.965
  158    HD2  LYS  24           HD3      LYS  24   2.134   2.708   7.986
  159    HD3  LYS  24           HD2      LYS  24   3.240   1.481   7.366
  160    HE2  LYS  24           HE3      LYS  24   3.921   4.209   6.485
  161    HE3  LYS  24           HE2      LYS  24   4.029   3.974   8.242
  162    HZ1  LYS  24           HZ1      LYS  24   5.468   2.587   6.092
  163    HZ2  LYS  24           HZ2      LYS  24   5.092   1.714   7.497
  164    HZ3  LYS  24           HZ3      LYS  24   6.037   3.122   7.601
  165    H    CYS  25           H        CYS  25   2.098   2.884   2.881
  166    HA   CYS  25           HA       CYS  25   2.120   1.498   0.240
  167    HB2  CYS  25           HB3      CYS  25   1.294   4.137   1.278
  168    HB3  CYS  25           HB2      CYS  25   1.901   4.102  -0.366
  Start of MODEL    5
    1    H1   CYS   1           H1       CYS   1  -4.618   6.223  -6.815
    2    H2   CYS   1           H2       CYS   1  -4.733   7.364  -5.561
    3    H3   CYS   1           H3       CYS   1  -5.945   6.190  -5.761
    4    HA   CYS   1           HA       CYS   1  -4.707   4.521  -4.825
    5    HB2  CYS   1           HB2      CYS   1  -2.178   4.694  -4.945
    6    HB3  CYS   1           HB3      CYS   1  -2.982   4.662  -6.517
    7    H    LYS   2           H        LYS   2  -2.662   4.740  -3.002
    8    HA   LYS   2           HA       LYS   2  -3.755   6.750  -1.095
    9    HB2  LYS   2           HB3      LYS   2  -1.950   4.329  -0.784
   10    HB3  LYS   2           HB2      LYS   2  -2.546   5.314   0.553
   11    HG2  LYS   2           HG3      LYS   2  -4.788   4.662   0.183
   12    HG3  LYS   2           HG2      LYS   2  -4.433   4.055  -1.435
   13    HD2  LYS   2           HD3      LYS   2  -3.482   2.862   1.183
   14    HD3  LYS   2           HD2      LYS   2  -4.675   2.166   0.085
   15    HE2  LYS   2           HE3      LYS   2  -2.483   2.629  -1.568
   16    HE3  LYS   2           HE2      LYS   2  -1.757   2.050  -0.057
   17    HZ1  LYS   2           HZ1      LYS   2  -3.938   0.487  -0.285
   18    HZ2  LYS   2           HZ2      LYS   2  -2.382   0.035  -0.784
   19    HZ3  LYS   2           HZ3      LYS   2  -3.485   0.662  -1.913
   20    H    GLY   3           H        GLY   3  -0.534   5.512  -0.672
   21    HA2  GLY   3           HA3      GLY   3   1.264   7.080  -1.900
   22    HA3  GLY   3           HA2      GLY   3   0.537   8.258  -0.805
   23    H    THR   4           H        THR   4   3.281   6.812  -0.913
   24    HA   THR   4           HA       THR   4   3.723   5.020   1.122
   25    HB   THR   4           HB       THR   4   5.828   6.663   1.395
   26    HG1  THR   4           HG1      THR   4   4.497   8.213   0.104
   27   HG21  THR   4          HG21      THR   4   5.092   5.004  -1.028
   28   HG22  THR   4          HG22      THR   4   5.911   4.432   0.426
   29   HG23  THR   4          HG23      THR   4   6.728   5.554  -0.662
   30    H    GLY   5           H        GLY   5   2.974   5.010   3.162
   31    HA2  GLY   5           HA3      GLY   5   3.306   6.135   5.408
   32    HA3  GLY   5           HA2      GLY   5   2.753   7.616   4.616
   33    H    LYS   6           H        LYS   6   0.842   5.989   2.970
   34    HA   LYS   6           HA       LYS   6  -1.427   6.091   4.824
   35    HB2  LYS   6           HB3      LYS   6  -0.914   6.262   2.045
   36    HB3  LYS   6           HB2      LYS   6  -1.921   4.831   2.263
   37    HG2  LYS   6           HG3      LYS   6  -3.209   6.982   1.930
   38    HG3  LYS   6           HG2      LYS   6  -3.616   6.101   3.404
   39    HD2  LYS   6           HD3      LYS   6  -2.766   7.722   4.759
   40    HD3  LYS   6           HD2      LYS   6  -1.396   8.029   3.690
   41    HE2  LYS   6           HE3      LYS   6  -4.232   8.935   3.081
   42    HE3  LYS   6           HE2      LYS   6  -2.995   9.972   3.818
   43    HZ1  LYS   6           HZ1      LYS   6  -2.395  10.371   1.704
   44    HZ2  LYS   6           HZ2      LYS   6  -3.197   9.005   1.099
   45    HZ3  LYS   6           HZ3      LYS   6  -1.648   8.847   1.781
   46    H    SER   7           H        SER   7  -2.743   4.164   5.319
   47    HA   SER   7           HA       SER   7  -1.087   1.699   5.460
   48    HB2  SER   7           HB3      SER   7  -3.068   1.070   7.003
   49    HB3  SER   7           HB2      SER   7  -2.003   2.367   7.538
   50    HG   SER   7           HG       SER   7  -4.618   2.465   6.533
   51    H    CYS   8           H        CYS   8  -1.656  -0.193   4.413
   52    HA   CYS   8           HA       CYS   8  -4.286  -0.301   2.978
   53    HB2  CYS   8           HB3      CYS   8  -2.807  -1.240   1.016
   54    HB3  CYS   8           HB2      CYS   8  -2.863   0.509   1.275
   55    H    SER   9           H        SER   9  -4.586  -2.608   2.062
   56    HA   SER   9           HA       SER   9  -3.659  -4.555   4.121
   57    HB2  SER   9           HB3      SER   9  -5.853  -4.627   2.024
   58    HB3  SER   9           HB2      SER   9  -5.569  -5.881   3.229
   59    HG   SER   9           HG       SER   9  -7.166  -4.071   3.654
   60    H    ARG  10           H        ARG  10  -3.656  -6.923   2.914
   61    HA   ARG  10           HA       ARG  10  -1.497  -6.707   0.902
   62    HB2  ARG  10           HB3      ARG  10  -2.659  -9.197   2.164
   63    HB3  ARG  10           HB2      ARG  10  -1.032  -8.970   1.519
   64    HG2  ARG  10           HG3      ARG  10  -0.725  -7.173   3.305
   65    HG3  ARG  10           HG2      ARG  10  -2.212  -7.783   4.034
   66    HD2  ARG  10           HD3      ARG  10  -1.211 -10.033   4.232
   67    HD3  ARG  10           HD2      ARG  10   0.285  -9.433   3.488
   68    HE   ARG  10           HE       ARG  10  -0.695  -7.968   5.866
   69   HH11  ARG  10          HH11      ARG  10   2.032  -8.807   4.218
   70   HH12  ARG  10          HH12      ARG  10   2.939  -9.355   5.589
   71   HH21  ARG  10          HH22      ARG  10   0.228  -9.292   7.748
   72   HH22  ARG  10          HH21      ARG  10   1.920  -9.630   7.584
   73    H    ILE  11           H        ILE  11  -4.221  -6.039   0.282
   74    HA   ILE  11           HA       ILE  11  -4.647  -7.907  -2.007
   75    HB   ILE  11           HB       ILE  11  -6.663  -6.997   0.065
   76   HG12  ILE  11          HG13      ILE  11  -5.724  -9.746  -0.819
   77   HG13  ILE  11          HG12      ILE  11  -5.260  -8.941   0.680
   78   HG21  ILE  11          HG21      ILE  11  -7.022  -7.605  -2.722
   79   HG22  ILE  11          HG22      ILE  11  -8.242  -7.175  -1.524
   80   HG23  ILE  11          HG23      ILE  11  -7.786  -8.863  -1.752
   81   HD11  ILE  11          HD11      ILE  11  -8.177  -9.226   0.092
   82   HD12  ILE  11          HD12      ILE  11  -7.342  -9.226   1.645
   83   HD13  ILE  11          HD13      ILE  11  -7.295 -10.659   0.617
   84    H    ALA  12           H        ALA  12  -5.497  -4.834  -0.453
   85    HA   ALA  12           HA       ALA  12  -6.540  -3.648  -2.918
   86    HB1  ALA  12           HB1      ALA  12  -7.363  -3.071  -0.666
   87    HB2  ALA  12           HB2      ALA  12  -6.682  -1.644  -1.447
   88    HB3  ALA  12           HB3      ALA  12  -5.755  -2.501  -0.216
   89    H    TYR  13           H        TYR  13  -4.640  -3.913  -4.325
   90    HA   TYR  13           HA       TYR  13  -2.109  -2.703  -3.611
   91    HB2  TYR  13           HB3      TYR  13  -3.118  -3.585  -6.320
   92    HB3  TYR  13           HB2      TYR  13  -1.443  -3.513  -5.772
   93    HD1  TYR  13           HD1      TYR  13  -1.429  -4.717  -3.165
   94    HD2  TYR  13           HD2      TYR  13  -3.734  -5.818  -6.619
   95    HE1  TYR  13           HE1      TYR  13  -1.609  -7.036  -2.307
   96    HE2  TYR  13           HE2      TYR  13  -3.913  -8.137  -5.760
   97    HH   TYR  13           HH       TYR  13  -2.767  -9.627  -4.240
   98    H    ASN  14           H        ASN  14  -4.220  -0.753  -3.439
   99    HA   ASN  14           HA       ASN  14  -3.942   0.903  -5.888
  100    HB2  ASN  14           HB3      ASN  14  -5.718   2.219  -4.832
  101    HB3  ASN  14           HB2      ASN  14  -6.139   0.508  -4.737
  102   HD21  ASN  14          HD22      ASN  14  -6.014   3.293  -2.877
  103   HD22  ASN  14          HD21      ASN  14  -5.884   2.582  -1.342
  104    H    CYS  15           H        CYS  15  -1.519   0.615  -4.639
  105    HA   CYS  15           HA       CYS  15  -1.106   2.907  -2.804
  106    HB2  CYS  15           HB3      CYS  15  -0.136   0.602  -2.479
  107    HB3  CYS  15           HB2      CYS  15   0.836   0.869  -3.925
  108    H    CYS  16           H        CYS  16  -0.318   4.845  -3.530
  109    HA   CYS  16           HA       CYS  16  -0.008   5.499  -6.259
  110    HB2  CYS  16           HB3      CYS  16   1.150   6.740  -3.747
  111    HB3  CYS  16           HB2      CYS  16   1.093   7.543  -5.315
  112    H    THR  17           H        THR  17   2.143   3.854  -4.123
  113    HA   THR  17           HA       THR  17   4.541   4.461  -5.764
  114    HB   THR  17           HB       THR  17   4.189   2.694  -3.323
  115    HG1  THR  17           HG1      THR  17   4.363   5.448  -3.658
  116   HG21  THR  17          HG21      THR  17   6.707   4.050  -3.515
  117   HG22  THR  17          HG22      THR  17   6.389   3.227  -5.041
  118   HG23  THR  17          HG23      THR  17   6.391   2.315  -3.531
  119    H    GLY  18           H        GLY  18   2.030   2.207  -5.648
  120    HA2  GLY  18           HA3      GLY  18   1.932   0.577  -7.538
  121    HA3  GLY  18           HA2      GLY  18   3.640   0.246  -7.237
  122    H    SER  19           H        SER  19   4.139  -1.377  -5.800
  123    HA   SER  19           HA       SER  19   1.939  -2.934  -4.639
  124    HB2  SER  19           HB3      SER  19   3.957  -4.272  -3.802
  125    HB3  SER  19           HB2      SER  19   3.825  -4.103  -5.550
  126    HG   SER  19           HG       SER  19   5.219  -2.158  -4.095
  127    H    CYS  20           H        CYS  20   1.216  -2.707  -2.522
  128    HA   CYS  20           HA       CYS  20   2.273  -0.590  -0.890
  129    HB2  CYS  20           HB3      CYS  20  -0.102  -1.957  -1.311
  130    HB3  CYS  20           HB2      CYS  20   0.396  -2.396   0.312
  131    H    ARG  21           H        ARG  21   3.141  -0.890   1.288
  132    HA   ARG  21           HA       ARG  21   4.783  -3.331   1.518
  133    HB2  ARG  21           HB3      ARG  21   5.952  -2.048   3.208
  134    HB3  ARG  21           HB2      ARG  21   5.630  -0.988   1.837
  135    HG2  ARG  21           HG3      ARG  21   3.927   0.159   2.960
  136    HG3  ARG  21           HG2      ARG  21   3.682  -1.140   4.125
  137    HD2  ARG  21           HD3      ARG  21   4.886   0.800   5.142
  138    HD3  ARG  21           HD2      ARG  21   5.905  -0.654   5.121
  139    HE   ARG  21           HE       ARG  21   6.332   0.650   2.658
  140   HH11  ARG  21          HH22      ARG  21   6.316   1.833   5.861
  141   HH12  ARG  21          HH21      ARG  21   7.853   2.623   5.733
  142   HH21  ARG  21          HH11      ARG  21   8.503   1.416   2.546
  143   HH22  ARG  21          HH12      ARG  21   9.093   2.385   3.854
  144    H    SER  22           H        SER  22   5.055  -3.674   4.171
  145    HA   SER  22           HA       SER  22   2.999  -5.390   4.956
  146    HB2  SER  22           HB3      SER  22   4.644  -4.056   7.035
  147    HB3  SER  22           HB2      SER  22   4.407  -5.773   6.719
  148    HG   SER  22           HG       SER  22   6.508  -4.546   6.128
  149    H    GLY  23           H        GLY  23   1.395  -3.307   4.355
  150    HA2  GLY  23           HA3      GLY  23  -0.614  -2.700   5.650
  151    HA3  GLY  23           HA2      GLY  23   0.432  -2.440   7.045
  152    H    LYS  24           H        LYS  24   1.784  -1.233   4.151
  153    HA   LYS  24           HA       LYS  24   0.498   1.412   4.444
  154    HB2  LYS  24           HB3      LYS  24   2.910   0.694   5.759
  155    HB3  LYS  24           HB2      LYS  24   3.314   1.853   4.505
  156    HG2  LYS  24           HG3      LYS  24   1.684   3.431   5.345
  157    HG3  LYS  24           HG2      LYS  24   1.078   2.251   6.508
  158    HD2  LYS  24           HD3      LYS  24   3.451   2.195   7.469
  159    HD3  LYS  24           HD2      LYS  24   3.767   3.630   6.494
  160    HE2  LYS  24           HE3      LYS  24   2.688   4.952   7.987
  161    HE3  LYS  24           HE2      LYS  24   1.261   3.897   7.958
  162    HZ1  LYS  24           HZ1      LYS  24   2.009   2.667   9.682
  163    HZ2  LYS  24           HZ2      LYS  24   2.853   4.087  10.072
  164    HZ3  LYS  24           HZ3      LYS  24   3.643   2.831   9.246
  165    H    CYS  25           H        CYS  25   2.008   2.987   3.003
  166    HA   CYS  25           HA       CYS  25   2.175   1.642   0.347
  167    HB2  CYS  25           HB3      CYS  25   1.137   4.087   1.396
  168    HB3  CYS  25           HB2      CYS  25   2.320   4.443   0.142
  Start of MODEL    6
    1    H1   CYS   1           H1       CYS   1  -4.100   6.754  -6.917
    2    H2   CYS   1           H2       CYS   1  -4.250   7.691  -5.508
    3    H3   CYS   1           H3       CYS   1  -5.513   6.658  -5.983
    4    HA   CYS   1           HA       CYS   1  -4.437   4.763  -5.274
    5    HB2  CYS   1           HB2      CYS   1  -1.910   4.820  -5.092
    6    HB3  CYS   1           HB3      CYS   1  -2.531   5.109  -6.718
    7    H    LYS   2           H        LYS   2  -2.805   4.408  -3.220
    8    HA   LYS   2           HA       LYS   2  -4.030   5.866  -1.026
    9    HB2  LYS   2           HB3      LYS   2  -1.683   3.945  -1.208
   10    HB3  LYS   2           HB2      LYS   2  -2.477   4.425   0.293
   11    HG2  LYS   2           HG3      LYS   2  -3.881   3.089  -2.038
   12    HG3  LYS   2           HG2      LYS   2  -3.313   2.244  -0.596
   13    HD2  LYS   2           HD3      LYS   2  -5.302   2.738   0.337
   14    HD3  LYS   2           HD2      LYS   2  -4.746   4.410   0.411
   15    HE2  LYS   2           HE3      LYS   2  -6.455   4.938  -0.984
   16    HE3  LYS   2           HE2      LYS   2  -5.609   4.026  -2.250
   17    HZ1  LYS   2           HZ1      LYS   2  -7.379   2.808  -0.196
   18    HZ2  LYS   2           HZ2      LYS   2  -6.637   2.009  -1.497
   19    HZ3  LYS   2           HZ3      LYS   2  -7.858   3.154  -1.789
   20    H    GLY   3           H        GLY   3  -0.555   5.369  -1.100
   21    HA2  GLY   3           HA3      GLY   3   0.781   7.514  -1.825
   22    HA3  GLY   3           HA2      GLY   3  -0.174   8.262  -0.543
   23    H    THR   4           H        THR   4   2.810   7.026  -1.078
   24    HA   THR   4           HA       THR   4   3.503   5.197   0.851
   25    HB   THR   4           HB       THR   4   5.434   7.207   1.051
   26    HG1  THR   4           HG1      THR   4   4.323   8.476  -0.416
   27   HG21  THR   4          HG21      THR   4   5.123   5.103  -1.102
   28   HG22  THR   4          HG22      THR   4   5.727   4.787   0.523
   29   HG23  THR   4          HG23      THR   4   6.635   5.836  -0.567
   30    H    GLY   5           H        GLY   5   3.128   5.074   3.011
   31    HA2  GLY   5           HA3      GLY   5   3.383   6.097   5.253
   32    HA3  GLY   5           HA2      GLY   5   2.854   7.630   4.544
   33    H    LYS   6           H        LYS   6   0.933   5.897   2.878
   34    HA   LYS   6           HA       LYS   6  -1.372   6.132   4.664
   35    HB2  LYS   6           HB3      LYS   6  -1.241   6.591   2.149
   36    HB3  LYS   6           HB2      LYS   6  -1.132   4.845   1.926
   37    HG2  LYS   6           HG3      LYS   6  -3.449   5.479   1.673
   38    HG3  LYS   6           HG2      LYS   6  -3.287   4.623   3.207
   39    HD2  LYS   6           HD3      LYS   6  -4.012   6.422   4.345
   40    HD3  LYS   6           HD2      LYS   6  -2.778   7.436   3.598
   41    HE2  LYS   6           HE3      LYS   6  -4.951   8.356   3.001
   42    HE3  LYS   6           HE2      LYS   6  -4.285   7.581   1.550
   43    HZ1  LYS   6           HZ1      LYS   6  -6.668   6.974   2.297
   44    HZ2  LYS   6           HZ2      LYS   6  -5.892   6.017   3.462
   45    HZ3  LYS   6           HZ3      LYS   6  -5.618   5.731   1.810
   46    H    SER   7           H        SER   7  -2.745   4.187   5.107
   47    HA   SER   7           HA       SER   7  -1.029   1.798   5.594
   48    HB2  SER   7           HB3      SER   7  -3.327   1.349   6.941
   49    HB3  SER   7           HB2      SER   7  -2.016   2.329   7.592
   50    HG   SER   7           HG       SER   7  -4.292   3.218   7.473
   51    H    CYS   8           H        CYS   8  -1.376  -0.094   4.487
   52    HA   CYS   8           HA       CYS   8  -4.036  -0.595   3.253
   53    HB2  CYS   8           HB3      CYS   8  -2.981  -0.966   1.040
   54    HB3  CYS   8           HB2      CYS   8  -2.728   0.695   1.589
   55    H    SER   9           H        SER   9  -3.615  -2.855   1.892
   56    HA   SER   9           HA       SER   9  -1.952  -4.666   3.603
   57    HB2  SER   9           HB3      SER   9  -3.877  -6.182   3.744
   58    HB3  SER   9           HB2      SER   9  -4.322  -4.596   4.367
   59    HG   SER   9           HG       SER   9  -5.918  -5.049   2.978
   60    H    ARG  10           H        ARG  10  -2.695  -7.038   2.359
   61    HA   ARG  10           HA       ARG  10  -1.432  -6.711  -0.292
   62    HB2  ARG  10           HB3      ARG  10  -1.179  -9.157  -0.132
   63    HB3  ARG  10           HB2      ARG  10  -0.642  -8.402   1.370
   64    HG2  ARG  10           HG3      ARG  10  -3.377  -8.806   1.754
   65    HG3  ARG  10           HG2      ARG  10  -2.835 -10.270   0.930
   66    HD2  ARG  10           HD3      ARG  10  -0.894  -9.507   2.939
   67    HD3  ARG  10           HD2      ARG  10  -2.505  -9.670   3.668
   68    HE   ARG  10           HE       ARG  10  -1.452 -11.794   1.847
   69   HH11  ARG  10          HH11      ARG  10  -0.986 -11.397   5.000
   70   HH12  ARG  10          HH12      ARG  10  -2.019 -12.669   5.565
   71   HH21  ARG  10          HH22      ARG  10  -3.560 -13.139   2.494
   72   HH22  ARG  10          HH21      ARG  10  -3.479 -13.654   4.146
   73    H    ILE  11           H        ILE  11  -4.126  -5.822   0.207
   74    HA   ILE  11           HA       ILE  11  -5.623  -7.576  -1.713
   75    HB   ILE  11           HB       ILE  11  -6.464  -6.097   0.785
   76   HG12  ILE  11          HG13      ILE  11  -6.785  -8.953  -0.190
   77   HG13  ILE  11          HG12      ILE  11  -5.681  -8.402   1.070
   78   HG21  ILE  11          HG21      ILE  11  -8.796  -7.092  -0.036
   79   HG22  ILE  11          HG22      ILE  11  -8.061  -6.865  -1.623
   80   HG23  ILE  11          HG23      ILE  11  -8.260  -5.488  -0.537
   81   HD11  ILE  11          HD11      ILE  11  -7.335  -8.249   2.629
   82   HD12  ILE  11          HD12      ILE  11  -8.196  -9.353   1.558
   83   HD13  ILE  11          HD13      ILE  11  -8.503  -7.619   1.468
   84    H    ALA  12           H        ALA  12  -5.492  -4.285  -0.352
   85    HA   ALA  12           HA       ALA  12  -6.791  -3.104  -2.692
   86    HB1  ALA  12           HB1      ALA  12  -6.898  -2.356  -0.250
   87    HB2  ALA  12           HB2      ALA  12  -6.573  -1.077  -1.420
   88    HB3  ALA  12           HB3      ALA  12  -5.255  -1.750  -0.459
   89    H    TYR  13           H        TYR  13  -5.302  -3.717  -4.419
   90    HA   TYR  13           HA       TYR  13  -2.511  -2.944  -4.307
   91    HB2  TYR  13           HB3      TYR  13  -4.313  -3.848  -6.568
   92    HB3  TYR  13           HB2      TYR  13  -2.552  -3.788  -6.637
   93    HD1  TYR  13           HD1      TYR  13  -2.127  -4.647  -3.691
   94    HD2  TYR  13           HD2      TYR  13  -4.521  -6.246  -6.880
   95    HE1  TYR  13           HE1      TYR  13  -2.014  -6.893  -2.649
   96    HE2  TYR  13           HE2      TYR  13  -4.406  -8.494  -5.837
   97    HH   TYR  13           HH       TYR  13  -2.214  -9.334  -3.522
   98    H    ASN  14           H        ASN  14  -4.005  -0.663  -3.761
   99    HA   ASN  14           HA       ASN  14  -3.736   0.932  -6.283
  100    HB2  ASN  14           HB3      ASN  14  -6.062   0.656  -5.491
  101    HB3  ASN  14           HB2      ASN  14  -5.596   1.258  -3.901
  102   HD21  ASN  14          HD22      ASN  14  -6.490   3.329  -3.749
  103   HD22  ASN  14          HD21      ASN  14  -6.345   4.533  -4.938
  104    H    CYS  15           H        CYS  15  -1.547   0.441  -4.618
  105    HA   CYS  15           HA       CYS  15  -1.224   2.678  -2.728
  106    HB2  CYS  15           HB3      CYS  15  -0.330   0.382  -2.367
  107    HB3  CYS  15           HB2      CYS  15   0.706   0.586  -3.780
  108    H    CYS  16           H        CYS  16  -0.285   4.620  -3.250
  109    HA   CYS  16           HA       CYS  16   0.236   5.468  -5.876
  110    HB2  CYS  16           HB3      CYS  16   1.319   6.380  -3.197
  111    HB3  CYS  16           HB2      CYS  16   1.479   7.315  -4.684
  112    H    THR  17           H        THR  17   2.210   3.548  -3.759
  113    HA   THR  17           HA       THR  17   4.692   4.110  -5.280
  114    HB   THR  17           HB       THR  17   4.449   2.003  -3.174
  115    HG1  THR  17           HG1      THR  17   4.016   4.762  -2.835
  116   HG21  THR  17          HG21      THR  17   6.632   2.692  -2.617
  117   HG22  THR  17          HG22      THR  17   6.422   4.273  -3.368
  118   HG23  THR  17          HG23      THR  17   6.586   2.833  -4.373
  119    H    GLY  18           H        GLY  18   2.064   1.980  -5.384
  120    HA2  GLY  18           HA3      GLY  18   1.945   0.518  -7.411
  121    HA3  GLY  18           HA2      GLY  18   3.624   0.079  -7.088
  122    H    SER  19           H        SER  19   4.052  -1.139  -5.078
  123    HA   SER  19           HA       SER  19   1.857  -3.057  -4.524
  124    HB2  SER  19           HB3      SER  19   4.731  -3.046  -4.685
  125    HB3  SER  19           HB2      SER  19   4.247  -3.644  -3.100
  126    HG   SER  19           HG       SER  19   2.912  -5.146  -4.145
  127    H    CYS  20           H        CYS  20   1.104  -3.430  -2.367
  128    HA   CYS  20           HA       CYS  20   1.145  -1.125  -0.633
  129    HB2  CYS  20           HB3      CYS  20  -0.877  -2.345  -0.900
  130    HB3  CYS  20           HB2      CYS  20  -0.056  -3.855  -0.529
  131    H    ARG  21           H        ARG  21   2.619  -0.779   0.990
  132    HA   ARG  21           HA       ARG  21   4.747  -2.605   1.589
  133    HB2  ARG  21           HB3      ARG  21   4.113   0.048   2.010
  134    HB3  ARG  21           HB2      ARG  21   4.009  -0.622   3.639
  135    HG2  ARG  21           HG3      ARG  21   6.337  -1.655   2.247
  136    HG3  ARG  21           HG2      ARG  21   6.353   0.109   2.281
  137    HD2  ARG  21           HD3      ARG  21   6.182   0.151   4.683
  138    HD3  ARG  21           HD2      ARG  21   5.848  -1.591   4.746
  139    HE   ARG  21           HE       ARG  21   8.151  -2.018   4.297
  140   HH11  ARG  21          HH11      ARG  21   8.862   0.227   6.018
  141   HH12  ARG  21          HH12      ARG  21   9.816   1.242   4.990
  142   HH21  ARG  21          HH22      ARG  21   8.722  -0.247   2.056
  143   HH22  ARG  21          HH21      ARG  21   9.733   0.978   2.746
  144    H    SER  22           H        SER  22   5.095  -3.321   3.973
  145    HA   SER  22           HA       SER  22   3.139  -5.214   4.738
  146    HB2  SER  22           HB3      SER  22   5.734  -4.806   5.240
  147    HB3  SER  22           HB2      SER  22   5.079  -4.102   6.715
  148    HG   SER  22           HG       SER  22   4.210  -6.614   5.769
  149    H    GLY  23           H        GLY  23   1.502  -3.109   4.566
  150    HA2  GLY  23           HA3      GLY  23  -0.291  -2.672   6.261
  151    HA3  GLY  23           HA2      GLY  23   1.003  -2.292   7.398
  152    H    LYS  24           H        LYS  24   2.046  -1.091   4.496
  153    HA   LYS  24           HA       LYS  24   0.487   1.420   4.620
  154    HB2  LYS  24           HB3      LYS  24   2.902   1.020   6.040
  155    HB3  LYS  24           HB2      LYS  24   3.272   2.097   4.701
  156    HG2  LYS  24           HG3      LYS  24   1.890   3.767   5.474
  157    HG3  LYS  24           HG2      LYS  24   0.768   2.634   6.226
  158    HD2  LYS  24           HD3      LYS  24   2.744   2.129   7.852
  159    HD3  LYS  24           HD2      LYS  24   3.389   3.668   7.278
  160    HE2  LYS  24           HE3      LYS  24   1.136   4.708   7.852
  161    HE3  LYS  24           HE2      LYS  24   0.742   3.187   8.678
  162    HZ1  LYS  24           HZ1      LYS  24   3.187   4.801   9.176
  163    HZ2  LYS  24           HZ2      LYS  24   2.722   3.394  10.004
  164    HZ3  LYS  24           HZ3      LYS  24   1.807   4.816  10.167
  165    H    CYS  25           H        CYS  25   2.162   3.035   3.174
  166    HA   CYS  25           HA       CYS  25   2.428   1.549   0.590
  167    HB2  CYS  25           HB3      CYS  25   1.147   3.999   1.449
  168    HB3  CYS  25           HB2      CYS  25   2.176   4.242   0.040
  Start of MODEL    7
    1    H1   CYS   1           H1       CYS   1  -4.497   7.001  -6.560
    2    H2   CYS   1           H2       CYS   1  -4.825   7.765  -5.078
    3    H3   CYS   1           H3       CYS   1  -5.820   6.500  -5.623
    4    HA   CYS   1           HA       CYS   1  -4.353   4.872  -5.027
    5    HB2  CYS   1           HB2      CYS   1  -1.852   5.542  -4.900
    6    HB3  CYS   1           HB3      CYS   1  -2.603   5.494  -6.495
    7    H    LYS   2           H        LYS   2  -2.827   4.560  -3.047
    8    HA   LYS   2           HA       LYS   2  -4.025   5.922  -0.762
    9    HB2  LYS   2           HB3      LYS   2  -2.189   3.679  -1.361
   10    HB3  LYS   2           HB2      LYS   2  -1.899   4.477   0.185
   11    HG2  LYS   2           HG3      LYS   2  -3.556   3.148   0.975
   12    HG3  LYS   2           HG2      LYS   2  -4.647   4.258   0.146
   13    HD2  LYS   2           HD3      LYS   2  -3.565   2.343  -1.730
   14    HD3  LYS   2           HD2      LYS   2  -4.314   1.506  -0.368
   15    HE2  LYS   2           HE3      LYS   2  -5.692   3.768  -1.848
   16    HE3  LYS   2           HE2      LYS   2  -5.912   2.059  -2.268
   17    HZ1  LYS   2           HZ1      LYS   2  -7.575   2.587  -0.684
   18    HZ2  LYS   2           HZ2      LYS   2  -6.464   3.361   0.338
   19    HZ3  LYS   2           HZ3      LYS   2  -6.400   1.675   0.137
   20    H    GLY   3           H        GLY   3  -0.583   5.464  -1.512
   21    HA2  GLY   3           HA3      GLY   3   0.829   7.506  -1.959
   22    HA3  GLY   3           HA2      GLY   3  -0.092   8.293  -0.674
   23    H    THR   4           H        THR   4   2.846   6.974  -1.210
   24    HA   THR   4           HA       THR   4   3.493   5.107   0.698
   25    HB   THR   4           HB       THR   4   5.440   7.147   0.917
   26    HG1  THR   4           HG1      THR   4   4.569   8.372  -0.650
   27   HG21  THR   4          HG21      THR   4   5.016   4.594  -0.540
   28   HG22  THR   4          HG22      THR   4   6.328   5.068   0.541
   29   HG23  THR   4          HG23      THR   4   6.317   5.628  -1.132
   30    H    GLY   5           H        GLY   5   2.954   4.964   2.817
   31    HA2  GLY   5           HA3      GLY   5   3.312   5.983   5.087
   32    HA3  GLY   5           HA2      GLY   5   2.726   7.500   4.392
   33    H    LYS   6           H        LYS   6   0.810   5.785   2.736
   34    HA   LYS   6           HA       LYS   6  -1.457   5.910   4.583
   35    HB2  LYS   6           HB3      LYS   6  -0.878   5.529   1.705
   36    HB3  LYS   6           HB2      LYS   6  -2.303   4.666   2.284
   37    HG2  LYS   6           HG3      LYS   6  -1.985   7.497   3.153
   38    HG3  LYS   6           HG2      LYS   6  -2.426   7.214   1.468
   39    HD2  LYS   6           HD3      LYS   6  -4.496   6.415   2.004
   40    HD3  LYS   6           HD2      LYS   6  -3.914   5.601   3.456
   41    HE2  LYS   6           HE3      LYS   6  -3.860   8.581   3.513
   42    HE3  LYS   6           HE2      LYS   6  -5.456   7.807   3.592
   43    HZ1  LYS   6           HZ1      LYS   6  -4.347   6.238   5.253
   44    HZ2  LYS   6           HZ2      LYS   6  -4.733   7.799   5.792
   45    HZ3  LYS   6           HZ3      LYS   6  -3.131   7.418   5.376
   46    H    SER   7           H        SER   7  -2.575   4.065   5.395
   47    HA   SER   7           HA       SER   7  -0.963   1.605   5.563
   48    HB2  SER   7           HB3      SER   7  -2.831   1.003   7.162
   49    HB3  SER   7           HB2      SER   7  -1.970   2.486   7.564
   50    HG   SER   7           HG       SER   7  -3.778   3.511   7.317
   51    H    CYS   8           H        CYS   8  -1.359  -0.231   4.358
   52    HA   CYS   8           HA       CYS   8  -4.081  -0.641   3.221
   53    HB2  CYS   8           HB3      CYS   8  -2.865  -1.128   0.975
   54    HB3  CYS   8           HB2      CYS   8  -3.105   0.558   1.434
   55    H    SER   9           H        SER   9  -4.265  -2.862   2.246
   56    HA   SER   9           HA       SER   9  -2.481  -4.785   3.697
   57    HB2  SER   9           HB3      SER   9  -4.435  -5.674   4.396
   58    HB3  SER   9           HB2      SER   9  -5.291  -4.384   3.554
   59    HG   SER   9           HG       SER   9  -5.039  -7.008   2.920
   60    H    ARG  10           H        ARG  10  -3.129  -7.080   2.339
   61    HA   ARG  10           HA       ARG  10  -1.779  -6.663  -0.256
   62    HB2  ARG  10           HB3      ARG  10  -1.685  -9.198  -0.142
   63    HB3  ARG  10           HB2      ARG  10  -0.902  -8.382   1.212
   64    HG2  ARG  10           HG3      ARG  10  -2.638  -8.898   2.698
   65    HG3  ARG  10           HG2      ARG  10  -3.803  -9.160   1.399
   66    HD2  ARG  10           HD3      ARG  10  -3.359 -11.380   1.657
   67    HD3  ARG  10           HD2      ARG  10  -1.796 -11.041   0.887
   68    HE   ARG  10           HE       ARG  10  -2.121 -10.666   3.834
   69   HH11  ARG  10          HH11      ARG  10   0.112 -10.870   1.389
   70   HH12  ARG  10          HH12      ARG  10   1.110 -12.075   2.134
   71   HH21  ARG  10          HH22      ARG  10  -1.145 -12.752   4.678
   72   HH22  ARG  10          HH21      ARG  10   0.398 -13.140   3.993
   73    H    ILE  11           H        ILE  11  -4.500  -5.823   0.147
   74    HA   ILE  11           HA       ILE  11  -5.871  -7.563  -1.879
   75    HB   ILE  11           HB       ILE  11  -6.863  -6.227   0.641
   76   HG12  ILE  11          HG13      ILE  11  -6.877  -9.032  -0.498
   77   HG13  ILE  11          HG12      ILE  11  -6.114  -8.472   0.990
   78   HG21  ILE  11          HG21      ILE  11  -9.148  -6.696  -0.068
   79   HG22  ILE  11          HG22      ILE  11  -8.569  -7.389  -1.583
   80   HG23  ILE  11          HG23      ILE  11  -8.378  -5.664  -1.273
   81   HD11  ILE  11          HD11      ILE  11  -9.067  -8.792   0.422
   82   HD12  ILE  11          HD12      ILE  11  -8.469  -7.851   1.787
   83   HD13  ILE  11          HD13      ILE  11  -8.112  -9.575   1.682
   84    H    ALA  12           H        ALA  12  -5.945  -4.317  -0.402
   85    HA   ALA  12           HA       ALA  12  -7.131  -3.104  -2.791
   86    HB1  ALA  12           HB1      ALA  12  -7.294  -2.499  -0.237
   87    HB2  ALA  12           HB2      ALA  12  -7.238  -1.193  -1.420
   88    HB3  ALA  12           HB3      ALA  12  -5.783  -1.638  -0.528
   89    H    TYR  13           H        TYR  13  -5.409  -3.781  -4.334
   90    HA   TYR  13           HA       TYR  13  -2.703  -2.824  -3.995
   91    HB2  TYR  13           HB3      TYR  13  -4.284  -4.047  -6.264
   92    HB3  TYR  13           HB2      TYR  13  -2.560  -3.692  -6.376
   93    HD1  TYR  13           HD2      TYR  13  -1.075  -4.616  -4.407
   94    HD2  TYR  13           HD1      TYR  13  -4.967  -6.124  -5.428
   95    HE1  TYR  13           HE2      TYR  13  -0.554  -6.746  -3.245
   96    HE2  TYR  13           HE1      TYR  13  -4.446  -8.253  -4.267
   97    HH   TYR  13           HH       TYR  13  -1.772  -8.609  -2.191
   98    H    ASN  14           H        ASN  14  -4.230  -0.566  -3.693
   99    HA   ASN  14           HA       ASN  14  -3.964   0.848  -6.322
  100    HB2  ASN  14           HB3      ASN  14  -6.261   0.753  -5.549
  101    HB3  ASN  14           HB2      ASN  14  -5.783   1.262  -3.930
  102   HD21  ASN  14          HD22      ASN  14  -6.344   3.420  -3.601
  103   HD22  ASN  14          HD21      ASN  14  -6.240   4.644  -4.770
  104    H    CYS  15           H        CYS  15  -1.701   0.478  -4.772
  105    HA   CYS  15           HA       CYS  15  -1.291   2.844  -3.053
  106    HB2  CYS  15           HB3      CYS  15  -0.441   0.525  -2.577
  107    HB3  CYS  15           HB2      CYS  15   0.620   0.678  -3.978
  108    H    CYS  16           H        CYS  16  -0.381   4.719  -3.784
  109    HA   CYS  16           HA       CYS  16   0.186   5.195  -6.530
  110    HB2  CYS  16           HB3      CYS  16  -0.119   6.604  -4.117
  111    HB3  CYS  16           HB2      CYS  16   1.492   7.021  -4.702
  112    H    THR  17           H        THR  17   2.051   3.648  -4.127
  113    HA   THR  17           HA       THR  17   4.635   4.355  -5.428
  114    HB   THR  17           HB       THR  17   3.943   2.800  -2.914
  115    HG1  THR  17           HG1      THR  17   5.090   5.370  -3.130
  116   HG21  THR  17          HG21      THR  17   6.402   3.303  -2.413
  117   HG22  THR  17          HG22      THR  17   6.562   3.692  -4.127
  118   HG23  THR  17          HG23      THR  17   6.088   2.066  -3.631
  119    H    GLY  18           H        GLY  18   2.237   1.976  -5.520
  120    HA2  GLY  18           HA3      GLY  18   2.450   0.250  -7.291
  121    HA3  GLY  18           HA2      GLY  18   4.141   0.076  -6.825
  122    H    SER  19           H        SER  19   4.643  -1.072  -4.884
  123    HA   SER  19           HA       SER  19   2.558  -3.026  -4.105
  124    HB2  SER  19           HB3      SER  19   5.083  -3.310  -2.747
  125    HB3  SER  19           HB2      SER  19   4.380  -4.351  -3.981
  126    HG   SER  19           HG       SER  19   5.601  -3.429  -5.433
  127    H    CYS  20           H        CYS  20   1.631  -3.088  -2.061
  128    HA   CYS  20           HA       CYS  20   1.863  -0.760  -0.368
  129    HB2  CYS  20           HB3      CYS  20  -0.273  -1.757  -0.724
  130    HB3  CYS  20           HB2      CYS  20   0.354  -3.336  -0.267
  131    H    ARG  21           H        ARG  21   3.422  -0.559   1.203
  132    HA   ARG  21           HA       ARG  21   5.319  -2.493   1.943
  133    HB2  ARG  21           HB3      ARG  21   4.104  -0.082   3.291
  134    HB3  ARG  21           HB2      ARG  21   5.390  -1.003   4.073
  135    HG2  ARG  21           HG3      ARG  21   6.817  -0.683   2.069
  136    HG3  ARG  21           HG2      ARG  21   5.542   0.289   1.334
  137    HD2  ARG  21           HD3      ARG  21   6.643   2.041   2.321
  138    HD3  ARG  21           HD2      ARG  21   5.812   1.500   3.794
  139    HE   ARG  21           HE       ARG  21   8.180  -0.074   3.379
  140   HH11  ARG  21          HH22      ARG  21   8.491   3.123   3.114
  141   HH12  ARG  21          HH21      ARG  21   9.229   3.424   4.652
  142   HH21  ARG  21          HH11      ARG  21   8.526   0.265   5.899
  143   HH22  ARG  21          HH12      ARG  21   9.248   1.804   6.230
  144    H    SER  22           H        SER  22   5.418  -3.225   4.435
  145    HA   SER  22           HA       SER  22   3.440  -5.222   4.836
  146    HB2  SER  22           HB3      SER  22   5.951  -4.578   5.768
  147    HB3  SER  22           HB2      SER  22   4.945  -4.316   7.190
  148    HG   SER  22           HG       SER  22   5.372  -6.440   7.257
  149    H    GLY  23           H        GLY  23   1.803  -3.113   4.538
  150    HA2  GLY  23           HA3      GLY  23  -0.203  -2.826   6.044
  151    HA3  GLY  23           HA2      GLY  23   0.948  -2.400   7.312
  152    H    LYS  24           H        LYS  24   2.102  -1.179   4.414
  153    HA   LYS  24           HA       LYS  24   0.521   1.323   4.567
  154    HB2  LYS  24           HB3      LYS  24   3.027   0.917   5.856
  155    HB3  LYS  24           HB2      LYS  24   3.283   2.042   4.532
  156    HG2  LYS  24           HG3      LYS  24   2.074   3.681   5.528
  157    HG3  LYS  24           HG2      LYS  24   0.832   2.555   6.078
  158    HD2  LYS  24           HD3      LYS  24   3.183   1.927   7.530
  159    HD3  LYS  24           HD2      LYS  24   3.019   3.683   7.573
  160    HE2  LYS  24           HE3      LYS  24   1.263   3.550   9.002
  161    HE3  LYS  24           HE2      LYS  24   0.446   2.354   7.975
  162    HZ1  LYS  24           HZ1      LYS  24   2.833   1.627   9.554
  163    HZ2  LYS  24           HZ2      LYS  24   1.635   0.611   8.914
  164    HZ3  LYS  24           HZ3      LYS  24   1.288   1.590  10.259
  165    H    CYS  25           H        CYS  25   2.055   2.947   3.026
  166    HA   CYS  25           HA       CYS  25   2.214   1.466   0.432
  167    HB2  CYS  25           HB3      CYS  25   0.987   3.895   1.360
  168    HB3  CYS  25           HB2      CYS  25   2.045   4.214  -0.012
  Start of MODEL    8
    1    H1   CYS   1           H1       CYS   1  -4.240   6.135  -7.037
    2    H2   CYS   1           H2       CYS   1  -4.319   7.304  -5.806
    3    H3   CYS   1           H3       CYS   1  -5.583   6.187  -6.002
    4    HA   CYS   1           HA       CYS   1  -4.381   4.438  -5.101
    5    HB2  CYS   1           HB2      CYS   1  -1.846   4.694  -4.975
    6    HB3  CYS   1           HB3      CYS   1  -2.519   4.618  -6.605
    7    H    LYS   2           H        LYS   2  -2.718   4.468  -3.047
    8    HA   LYS   2           HA       LYS   2  -3.948   6.326  -1.132
    9    HB2  LYS   2           HB3      LYS   2  -2.033   4.003  -1.072
   10    HB3  LYS   2           HB2      LYS   2  -2.298   4.976   0.373
   11    HG2  LYS   2           HG3      LYS   2  -4.614   4.432   0.440
   12    HG3  LYS   2           HG2      LYS   2  -4.584   3.785  -1.202
   13    HD2  LYS   2           HD3      LYS   2  -2.611   2.413   0.368
   14    HD3  LYS   2           HD2      LYS   2  -4.152   2.372   1.227
   15    HE2  LYS   2           HE3      LYS   2  -4.330   1.848  -1.689
   16    HE3  LYS   2           HE2      LYS   2  -3.509   0.598  -0.734
   17    HZ1  LYS   2           HZ1      LYS   2  -6.166   1.792  -0.137
   18    HZ2  LYS   2           HZ2      LYS   2  -5.364   0.665   0.842
   19    HZ3  LYS   2           HZ3      LYS   2  -5.885   0.217  -0.711
   20    H    GLY   3           H        GLY   3  -0.572   5.445  -0.912
   21    HA2  GLY   3           HA3      GLY   3   1.032   7.315  -1.880
   22    HA3  GLY   3           HA2      GLY   3   0.148   8.314  -0.721
   23    H    THR   4           H        THR   4   3.020   6.959  -0.946
   24    HA   THR   4           HA       THR   4   3.532   5.169   1.078
   25    HB   THR   4           HB       THR   4   5.598   6.886   1.321
   26    HG1  THR   4           HG1      THR   4   4.334   8.417   0.056
   27   HG21  THR   4          HG21      THR   4   4.788   4.791  -0.600
   28   HG22  THR   4          HG22      THR   4   6.239   4.902   0.395
   29   HG23  THR   4          HG23      THR   4   6.136   5.804  -1.116
   30    H    GLY   5           H        GLY   5   2.736   5.151   3.097
   31    HA2  GLY   5           HA3      GLY   5   3.117   6.277   5.351
   32    HA3  GLY   5           HA2      GLY   5   2.508   7.742   4.572
   33    H    LYS   6           H        LYS   6   0.624   5.978   2.970
   34    HA   LYS   6           HA       LYS   6  -1.611   6.084   4.865
   35    HB2  LYS   6           HB3      LYS   6  -1.098   5.721   1.972
   36    HB3  LYS   6           HB2      LYS   6  -2.509   4.852   2.581
   37    HG2  LYS   6           HG3      LYS   6  -2.209   7.650   3.518
   38    HG3  LYS   6           HG2      LYS   6  -2.594   7.448   1.809
   39    HD2  LYS   6           HD3      LYS   6  -4.609   6.318   2.269
   40    HD3  LYS   6           HD2      LYS   6  -4.126   5.941   3.922
   41    HE2  LYS   6           HE3      LYS   6  -4.338   8.282   4.576
   42    HE3  LYS   6           HE2      LYS   6  -4.684   8.748   2.898
   43    HZ1  LYS   6           HZ1      LYS   6  -6.805   8.407   3.584
   44    HZ2  LYS   6           HZ2      LYS   6  -6.364   7.318   4.808
   45    HZ3  LYS   6           HZ3      LYS   6  -6.435   6.795   3.193
   46    H    SER   7           H        SER   7  -2.818   4.171   5.528
   47    HA   SER   7           HA       SER   7  -1.114   1.762   5.781
   48    HB2  SER   7           HB3      SER   7  -3.240   1.155   7.215
   49    HB3  SER   7           HB2      SER   7  -2.114   2.375   7.801
   50    HG   SER   7           HG       SER   7  -3.824   3.602   7.816
   51    H    CYS   8           H        CYS   8  -1.470  -0.114   4.638
   52    HA   CYS   8           HA       CYS   8  -4.121  -0.529   3.318
   53    HB2  CYS   8           HB3      CYS   8  -2.744  -1.156   1.221
   54    HB3  CYS   8           HB2      CYS   8  -2.842   0.569   1.610
   55    H    SER   9           H        SER   9  -4.070  -2.841   2.274
   56    HA   SER   9           HA       SER   9  -2.566  -4.674   4.117
   57    HB2  SER   9           HB3      SER   9  -4.984  -5.689   2.797
   58    HB3  SER   9           HB2      SER   9  -4.541  -5.730   4.501
   59    HG   SER   9           HG       SER   9  -5.494  -3.833   4.807
   60    H    ARG  10           H        ARG  10  -3.009  -7.052   2.835
   61    HA   ARG  10           HA       ARG  10  -1.377  -6.753   0.387
   62    HB2  ARG  10           HB3      ARG  10  -0.936  -9.101   0.706
   63    HB3  ARG  10           HB2      ARG  10  -0.905  -8.369   2.311
   64    HG2  ARG  10           HG3      ARG  10  -3.515  -8.955   2.204
   65    HG3  ARG  10           HG2      ARG  10  -2.926 -10.201   1.103
   66    HD2  ARG  10           HD3      ARG  10  -1.122 -10.237   3.267
   67    HD3  ARG  10           HD2      ARG  10  -2.736 -10.113   3.995
   68    HE   ARG  10           HE       ARG  10  -2.760 -11.998   1.815
   69   HH11  ARG  10          HH11      ARG  10  -4.185 -12.515   4.352
   70   HH12  ARG  10          HH12      ARG  10  -3.225 -13.754   5.089
   71   HH21  ARG  10          HH22      ARG  10  -0.466 -13.190   3.069
   72   HH22  ARG  10          HH21      ARG  10  -1.122 -14.137   4.363
   73    H    ILE  11           H        ILE  11  -4.146  -5.963   0.463
   74    HA   ILE  11           HA       ILE  11  -5.219  -7.751  -1.689
   75    HB   ILE  11           HB       ILE  11  -6.582  -6.565   0.742
   76   HG12  ILE  11          HG13      ILE  11  -6.365  -9.395  -0.335
   77   HG13  ILE  11          HG12      ILE  11  -5.448  -8.746   1.024
   78   HG21  ILE  11          HG21      ILE  11  -7.793  -7.805  -1.746
   79   HG22  ILE  11          HG22      ILE  11  -8.054  -6.169  -1.143
   80   HG23  ILE  11          HG23      ILE  11  -8.679  -7.550  -0.242
   81   HD11  ILE  11          HD11      ILE  11  -7.366  -8.549   2.382
   82   HD12  ILE  11          HD12      ILE  11  -7.604 -10.088   1.551
   83   HD13  ILE  11          HD13      ILE  11  -8.460  -8.646   1.002
   84    H    ALA  12           H        ALA  12  -5.440  -4.584  -0.095
   85    HA   ALA  12           HA       ALA  12  -6.650  -3.318  -2.456
   86    HB1  ALA  12           HB1      ALA  12  -6.654  -2.879   0.251
   87    HB2  ALA  12           HB2      ALA  12  -7.124  -1.669  -0.945
   88    HB3  ALA  12           HB3      ALA  12  -5.486  -1.674  -0.290
   89    H    TYR  13           H        TYR  13  -4.806  -3.907  -3.916
   90    HA   TYR  13           HA       TYR  13  -2.198  -2.732  -3.456
   91    HB2  TYR  13           HB3      TYR  13  -1.949  -3.498  -5.923
   92    HB3  TYR  13           HB2      TYR  13  -2.217  -4.735  -4.699
   93    HD1  TYR  13           HD2      TYR  13  -4.072  -2.538  -7.109
   94    HD2  TYR  13           HD1      TYR  13  -4.011  -6.226  -4.907
   95    HE1  TYR  13           HE2      TYR  13  -6.123  -3.277  -8.291
   96    HE2  TYR  13           HE1      TYR  13  -6.060  -6.965  -6.088
   97    HH   TYR  13           HH       TYR  13  -7.229  -5.451  -8.863
   98    H    ASN  14           H        ASN  14  -3.996  -0.663  -3.233
   99    HA   ASN  14           HA       ASN  14  -3.881   0.803  -5.834
  100    HB2  ASN  14           HB3      ASN  14  -6.055   0.473  -4.624
  101    HB3  ASN  14           HB2      ASN  14  -5.389   1.361  -3.255
  102   HD21  ASN  14          HD22      ASN  14  -6.301   3.414  -3.280
  103   HD22  ASN  14          HD21      ASN  14  -6.470   4.388  -4.660
  104    H    CYS  15           H        CYS  15  -1.445   0.538  -4.561
  105    HA   CYS  15           HA       CYS  15  -0.968   2.891  -2.840
  106    HB2  CYS  15           HB3      CYS  15   0.018   0.533  -2.617
  107    HB3  CYS  15           HB2      CYS  15   1.029   0.944  -4.002
  108    H    CYS  16           H        CYS  16   0.210   4.712  -3.469
  109    HA   CYS  16           HA       CYS  16   0.281   5.404  -6.255
  110    HB2  CYS  16           HB3      CYS  16   1.470   6.639  -3.758
  111    HB3  CYS  16           HB2      CYS  16   1.446   7.437  -5.330
  112    H    THR  17           H        THR  17   2.535   3.806  -4.146
  113    HA   THR  17           HA       THR  17   4.828   4.425  -5.945
  114    HB   THR  17           HB       THR  17   5.077   4.605  -3.494
  115    HG1  THR  17           HG1      THR  17   6.970   4.040  -4.297
  116   HG21  THR  17          HG21      THR  17   3.681   2.062  -3.603
  117   HG22  THR  17          HG22      THR  17   3.941   3.135  -2.227
  118   HG23  THR  17          HG23      THR  17   5.161   1.936  -2.653
  119    H    GLY  18           H        GLY  18   2.361   2.251  -5.932
  120    HA2  GLY  18           HA3      GLY  18   2.445   0.517  -7.728
  121    HA3  GLY  18           HA2      GLY  18   4.074   0.127  -7.168
  122    H    SER  19           H        SER  19   4.232  -1.550  -5.753
  123    HA   SER  19           HA       SER  19   1.798  -2.822  -4.730
  124    HB2  SER  19           HB3      SER  19   4.656  -3.453  -3.980
  125    HB3  SER  19           HB2      SER  19   3.296  -4.563  -4.133
  126    HG   SER  19           HG       SER  19   5.023  -4.226  -5.926
  127    H    CYS  20           H        CYS  20   0.962  -2.481  -2.652
  128    HA   CYS  20           HA       CYS  20   2.108  -0.405  -1.024
  129    HB2  CYS  20           HB3      CYS  20  -0.367  -1.390  -1.508
  130    HB3  CYS  20           HB2      CYS  20   0.018  -2.148   0.028
  131    H    ARG  21           H        ARG  21   3.146  -0.636   0.980
  132    HA   ARG  21           HA       ARG  21   4.639  -3.031   1.485
  133    HB2  ARG  21           HB3      ARG  21   4.523  -0.363   2.339
  134    HB3  ARG  21           HB2      ARG  21   4.183  -1.302   3.793
  135    HG2  ARG  21           HG3      ARG  21   6.231  -2.755   2.908
  136    HG3  ARG  21           HG2      ARG  21   6.655  -1.238   2.113
  137    HD2  ARG  21           HD3      ARG  21   6.343  -0.109   4.392
  138    HD3  ARG  21           HD2      ARG  21   6.319  -1.746   5.080
  139    HE   ARG  21           HE       ARG  21   8.563  -1.041   3.264
  140   HH11  ARG  21          HH11      ARG  21   8.959   0.354   5.847
  141   HH12  ARG  21          HH12      ARG  21   9.790  -0.830   6.799
  142   HH21  ARG  21          HH22      ARG  21   8.940  -3.476   4.726
  143   HH22  ARG  21          HH21      ARG  21   9.780  -2.998   6.163
  144    H    SER  22           H        SER  22   4.371  -4.398   3.460
  145    HA   SER  22           HA       SER  22   1.738  -5.432   3.743
  146    HB2  SER  22           HB3      SER  22   4.418  -6.026   4.501
  147    HB3  SER  22           HB2      SER  22   3.421  -6.128   5.949
  148    HG   SER  22           HG       SER  22   1.976  -7.445   4.648
  149    H    GLY  23           H        GLY  23   1.205  -2.854   4.256
  150    HA2  GLY  23           HA3      GLY  23  -0.269  -2.587   6.482
  151    HA3  GLY  23           HA2      GLY  23   1.341  -2.352   7.161
  152    H    LYS  24           H        LYS  24   1.966  -1.112   4.308
  153    HA   LYS  24           HA       LYS  24   0.464   1.416   4.505
  154    HB2  LYS  24           HB3      LYS  24   2.908   0.963   5.869
  155    HB3  LYS  24           HB2      LYS  24   3.232   2.102   4.572
  156    HG2  LYS  24           HG3      LYS  24   1.714   3.676   5.391
  157    HG3  LYS  24           HG2      LYS  24   0.810   2.472   6.310
  158    HD2  LYS  24           HD3      LYS  24   3.159   2.212   7.556
  159    HD3  LYS  24           HD2      LYS  24   3.345   3.880   7.012
  160    HE2  LYS  24           HE3      LYS  24   2.264   4.205   9.063
  161    HE3  LYS  24           HE2      LYS  24   0.868   4.107   7.971
  162    HZ1  LYS  24           HZ1      LYS  24   0.508   1.886   8.488
  163    HZ2  LYS  24           HZ2      LYS  24   0.901   2.558   9.995
  164    HZ3  LYS  24           HZ3      LYS  24   2.065   1.670   9.132
  165    H    CYS  25           H        CYS  25   1.867   3.066   3.025
  166    HA   CYS  25           HA       CYS  25   2.155   1.675   0.406
  167    HB2  CYS  25           HB3      CYS  25   0.950   4.067   1.383
  168    HB3  CYS  25           HB2      CYS  25   2.154   4.485   0.169
  Start of MODEL    9
    1    H1   CYS   1           H1       CYS   1  -4.383   7.882  -5.485
    2    H2   CYS   1           H2       CYS   1  -5.756   6.911  -5.731
    3    H3   CYS   1           H3       CYS   1  -4.456   6.841  -6.823
    4    HA   CYS   1           HA       CYS   1  -4.715   4.990  -5.029
    5    HB2  CYS   1           HB2      CYS   1  -2.149   4.976  -5.036
    6    HB3  CYS   1           HB3      CYS   1  -2.929   5.064  -6.618
    7    H    LYS   2           H        LYS   2  -2.942   4.662  -3.099
    8    HA   LYS   2           HA       LYS   2  -3.858   6.422  -0.942
    9    HB2  LYS   2           HB3      LYS   2  -2.077   4.001  -1.230
   10    HB3  LYS   2           HB2      LYS   2  -2.233   4.836   0.314
   11    HG2  LYS   2           HG3      LYS   2  -4.608   4.443   0.378
   12    HG3  LYS   2           HG2      LYS   2  -4.604   3.833  -1.278
   13    HD2  LYS   2           HD3      LYS   2  -2.675   2.351   0.235
   14    HD3  LYS   2           HD2      LYS   2  -4.197   2.360   1.126
   15    HE2  LYS   2           HE3      LYS   2  -3.913   1.608  -1.806
   16    HE3  LYS   2           HE2      LYS   2  -4.115   0.457  -0.469
   17    HZ1  LYS   2           HZ1      LYS   2  -6.039   2.323  -1.611
   18    HZ2  LYS   2           HZ2      LYS   2  -6.062   2.170   0.078
   19    HZ3  LYS   2           HZ3      LYS   2  -6.295   0.801  -0.899
   20    H    GLY   3           H        GLY   3  -0.541   5.299  -1.235
   21    HA2  GLY   3           HA3      GLY   3   1.184   7.012  -2.086
   22    HA3  GLY   3           HA2      GLY   3   0.378   8.131  -0.983
   23    H    THR   4           H        THR   4   3.171   6.734  -1.066
   24    HA   THR   4           HA       THR   4   3.589   4.930   0.967
   25    HB   THR   4           HB       THR   4   5.646   6.675   1.303
   26    HG1  THR   4           HG1      THR   4   5.875   7.852  -0.550
   27   HG21  THR   4          HG21      THR   4   5.878   5.405  -1.283
   28   HG22  THR   4          HG22      THR   4   5.084   4.323  -0.138
   29   HG23  THR   4          HG23      THR   4   6.677   4.983   0.232
   30    H    GLY   5           H        GLY   5   2.939   4.903   3.045
   31    HA2  GLY   5           HA3      GLY   5   3.151   6.041   5.275
   32    HA3  GLY   5           HA2      GLY   5   2.590   7.512   4.469
   33    H    LYS   6           H        LYS   6   0.745   5.809   2.790
   34    HA   LYS   6           HA       LYS   6  -1.566   5.915   4.591
   35    HB2  LYS   6           HB3      LYS   6  -0.937   5.732   1.744
   36    HB3  LYS   6           HB2      LYS   6  -2.252   4.645   2.191
   37    HG2  LYS   6           HG3      LYS   6  -2.196   7.542   3.049
   38    HG3  LYS   6           HG2      LYS   6  -2.933   7.023   1.533
   39    HD2  LYS   6           HD3      LYS   6  -4.464   5.552   2.726
   40    HD3  LYS   6           HD2      LYS   6  -3.675   5.920   4.260
   41    HE2  LYS   6           HE3      LYS   6  -4.511   8.133   4.299
   42    HE3  LYS   6           HE2      LYS   6  -4.869   8.120   2.561
   43    HZ1  LYS   6           HZ1      LYS   6  -6.741   7.640   4.325
   44    HZ2  LYS   6           HZ2      LYS   6  -6.106   6.070   4.249
   45    HZ3  LYS   6           HZ3      LYS   6  -6.699   6.813   2.841
   46    H    SER   7           H        SER   7  -2.779   4.036   5.248
   47    HA   SER   7           HA       SER   7  -1.139   1.596   5.512
   48    HB2  SER   7           HB3      SER   7  -3.898   1.739   6.569
   49    HB3  SER   7           HB2      SER   7  -2.406   1.264   7.379
   50    HG   SER   7           HG       SER   7  -3.277   3.287   8.111
   51    H    CYS   8           H        CYS   8  -1.413  -0.185   4.239
   52    HA   CYS   8           HA       CYS   8  -4.086  -0.732   3.057
   53    HB2  CYS   8           HB3      CYS   8  -2.863  -1.129   0.826
   54    HB3  CYS   8           HB2      CYS   8  -3.090   0.552   1.313
   55    H    SER   9           H        SER   9  -4.076  -2.971   2.034
   56    HA   SER   9           HA       SER   9  -2.174  -4.769   3.509
   57    HB2  SER   9           HB3      SER   9  -4.406  -4.949   4.375
   58    HB3  SER   9           HB2      SER   9  -5.097  -4.994   2.756
   59    HG   SER   9           HG       SER   9  -4.986  -7.083   3.200
   60    H    ARG  10           H        ARG  10  -2.842  -7.130   2.210
   61    HA   ARG  10           HA       ARG  10  -1.563  -6.711  -0.416
   62    HB2  ARG  10           HB3      ARG  10  -1.129  -9.077  -0.307
   63    HB3  ARG  10           HB2      ARG  10  -0.868  -8.448   1.320
   64    HG2  ARG  10           HG3      ARG  10  -2.978  -9.267   2.080
   65    HG3  ARG  10           HG2      ARG  10  -3.523  -9.596   0.435
   66    HD2  ARG  10           HD3      ARG  10  -1.640 -11.279   0.233
   67    HD3  ARG  10           HD2      ARG  10  -1.350 -11.058   1.969
   68    HE   ARG  10           HE       ARG  10  -3.872 -12.135   0.788
   69   HH11  ARG  10          HH22      ARG  10  -4.098 -10.592   3.413
   70   HH12  ARG  10          HH21      ARG  10  -3.998 -11.880   4.566
   71   HH21  ARG  10          HH11      ARG  10  -2.745 -14.176   2.286
   72   HH22  ARG  10          HH12      ARG  10  -3.232 -13.911   3.928
   73    H    ILE  11           H        ILE  11  -4.301  -5.913   0.088
   74    HA   ILE  11           HA       ILE  11  -5.672  -7.558  -2.012
   75    HB   ILE  11           HB       ILE  11  -6.714  -6.360   0.570
   76   HG12  ILE  11          HG13      ILE  11  -5.646  -8.596   0.701
   77   HG13  ILE  11          HG12      ILE  11  -7.377  -8.687   1.026
   78   HG21  ILE  11          HG21      ILE  11  -8.072  -6.524  -1.896
   79   HG22  ILE  11          HG22      ILE  11  -8.785  -6.238  -0.309
   80   HG23  ILE  11          HG23      ILE  11  -8.662  -7.881  -0.937
   81   HD11  ILE  11          HD11      ILE  11  -5.883  -9.522  -1.454
   82   HD12  ILE  11          HD12      ILE  11  -7.606  -9.152  -1.521
   83   HD13  ILE  11          HD13      ILE  11  -7.024 -10.456  -0.487
   84    H    ALA  12           H        ALA  12  -5.895  -4.467  -0.250
   85    HA   ALA  12           HA       ALA  12  -7.034  -3.077  -2.566
   86    HB1  ALA  12           HB1      ALA  12  -6.185  -2.438   0.250
   87    HB2  ALA  12           HB2      ALA  12  -7.778  -2.274  -0.489
   88    HB3  ALA  12           HB3      ALA  12  -6.503  -1.117  -0.873
   89    H    TYR  13           H        TYR  13  -5.100  -3.737  -3.945
   90    HA   TYR  13           HA       TYR  13  -2.525  -2.555  -3.380
   91    HB2  TYR  13           HB3      TYR  13  -2.175  -3.322  -5.845
   92    HB3  TYR  13           HB2      TYR  13  -2.457  -4.549  -4.614
   93    HD1  TYR  13           HD2      TYR  13  -4.446  -2.312  -6.894
   94    HD2  TYR  13           HD1      TYR  13  -4.050  -6.179  -5.065
   95    HE1  TYR  13           HE2      TYR  13  -6.447  -3.102  -8.129
   96    HE2  TYR  13           HE1      TYR  13  -6.049  -6.968  -6.301
   97    HH   TYR  13           HH       TYR  13  -7.708  -4.864  -8.645
   98    H    ASN  14           H        ASN  14  -4.337  -0.467  -3.276
   99    HA   ASN  14           HA       ASN  14  -4.118   0.958  -5.884
  100    HB2  ASN  14           HB3      ASN  14  -6.317   0.847  -4.802
  101    HB3  ASN  14           HB2      ASN  14  -5.639   1.493  -3.308
  102   HD21  ASN  14          HD22      ASN  14  -6.548   3.570  -3.165
  103   HD22  ASN  14          HD21      ASN  14  -6.475   4.733  -4.400
  104    H    CYS  15           H        CYS  15  -1.694   0.601  -4.621
  105    HA   CYS  15           HA       CYS  15  -1.074   2.941  -2.936
  106    HB2  CYS  15           HB3      CYS  15  -0.175   0.529  -2.763
  107    HB3  CYS  15           HB2      CYS  15   0.830   0.936  -4.154
  108    H    CYS  16           H        CYS  16  -0.104   4.800  -3.693
  109    HA   CYS  16           HA       CYS  16  -0.079   5.500  -6.420
  110    HB2  CYS  16           HB3      CYS  16   1.480   6.523  -4.032
  111    HB3  CYS  16           HB2      CYS  16   1.382   7.375  -5.572
  112    H    THR  17           H        THR  17   2.260   3.724  -4.527
  113    HA   THR  17           HA       THR  17   4.318   4.010  -6.653
  114    HB   THR  17           HB       THR  17   4.854   4.308  -4.219
  115    HG1  THR  17           HG1      THR  17   6.024   2.169  -5.650
  116   HG21  THR  17          HG21      THR  17   5.076   1.706  -3.296
  117   HG22  THR  17          HG22      THR  17   3.517   1.706  -4.116
  118   HG23  THR  17          HG23      THR  17   3.829   2.858  -2.821
  119    H    GLY  18           H        GLY  18   1.990   1.796  -5.400
  120    HA2  GLY  18           HA3      GLY  18   1.229  -0.042  -6.857
  121    HA3  GLY  18           HA2      GLY  18   2.893  -0.221  -7.408
  122    H    SER  19           H        SER  19   4.173  -0.148  -4.845
  123    HA   SER  19           HA       SER  19   3.364  -2.846  -3.869
  124    HB2  SER  19           HB3      SER  19   5.795  -1.782  -2.737
  125    HB3  SER  19           HB2      SER  19   5.588  -3.169  -3.802
  126    HG   SER  19           HG       SER  19   6.585  -1.920  -5.181
  127    H    CYS  20           H        CYS  20   2.175  -2.915  -2.026
  128    HA   CYS  20           HA       CYS  20   2.043  -0.615  -0.239
  129    HB2  CYS  20           HB3      CYS  20  -0.001  -1.635  -0.914
  130    HB3  CYS  20           HB2      CYS  20   0.616  -3.224  -0.489
  131    H    ARG  21           H        ARG  21   3.541  -0.503   1.413
  132    HA   ARG  21           HA       ARG  21   5.322  -2.477   2.274
  133    HB2  ARG  21           HB3      ARG  21   4.934   0.073   2.854
  134    HB3  ARG  21           HB2      ARG  21   4.031  -0.582   4.220
  135    HG2  ARG  21           HG3      ARG  21   6.365  -2.101   4.186
  136    HG3  ARG  21           HG2      ARG  21   6.917  -0.472   3.795
  137    HD2  ARG  21           HD3      ARG  21   5.037  -0.124   5.865
  138    HD3  ARG  21           HD2      ARG  21   6.032  -1.511   6.353
  139    HE   ARG  21           HE       ARG  21   7.852  -0.026   6.569
  140   HH11  ARG  21          HH22      ARG  21   5.465   2.068   6.291
  141   HH12  ARG  21          HH21      ARG  21   6.246   3.218   5.258
  142   HH21  ARG  21          HH11      ARG  21   8.868   1.101   4.442
  143   HH22  ARG  21          HH12      ARG  21   8.171   2.671   4.210
  144    H    SER  22           H        SER  22   5.169  -3.472   4.627
  145    HA   SER  22           HA       SER  22   3.031  -5.355   4.691
  146    HB2  SER  22           HB3      SER  22   4.081  -5.647   7.083
  147    HB3  SER  22           HB2      SER  22   5.055  -6.021   5.662
  148    HG   SER  22           HG       SER  22   4.992  -3.505   6.981
  149    H    GLY  23           H        GLY  23   1.594  -3.078   4.540
  150    HA2  GLY  23           HA3      GLY  23  -0.457  -2.867   6.072
  151    HA3  GLY  23           HA2      GLY  23   0.719  -2.461   7.324
  152    H    LYS  24           H        LYS  24   1.964  -1.230   4.513
  153    HA   LYS  24           HA       LYS  24   0.380   1.278   4.572
  154    HB2  LYS  24           HB3      LYS  24   2.807   0.859   5.999
  155    HB3  LYS  24           HB2      LYS  24   3.148   1.973   4.681
  156    HG2  LYS  24           HG3      LYS  24   1.481   3.505   5.401
  157    HG3  LYS  24           HG2      LYS  24   0.756   2.322   6.489
  158    HD2  LYS  24           HD3      LYS  24   3.513   2.601   7.193
  159    HD3  LYS  24           HD2      LYS  24   2.811   4.214   7.072
  160    HE2  LYS  24           HE3      LYS  24   2.451   3.438   9.343
  161    HE3  LYS  24           HE2      LYS  24   0.884   3.358   8.511
  162    HZ1  LYS  24           HZ1      LYS  24   1.524   1.276   9.712
  163    HZ2  LYS  24           HZ2      LYS  24   2.801   1.095   8.611
  164    HZ3  LYS  24           HZ3      LYS  24   1.196   1.064   8.058
  165    H    CYS  25           H        CYS  25   2.031   2.873   3.102
  166    HA   CYS  25           HA       CYS  25   2.266   1.359   0.535
  167    HB2  CYS  25           HB3      CYS  25   1.082   3.836   1.388
  168    HB3  CYS  25           HB2      CYS  25   2.208   4.109   0.061
  Start of MODEL   10
    1    H1   CYS   1           H1       CYS   1  -4.292   7.512  -5.739
    2    H2   CYS   1           H2       CYS   1  -5.723   6.597  -5.704
    3    H3   CYS   1           H3       CYS   1  -4.530   6.271  -6.870
    4    HA   CYS   1           HA       CYS   1  -4.642   4.695  -4.884
    5    HB2  CYS   1           HB2      CYS   1  -2.080   4.764  -4.852
    6    HB3  CYS   1           HB3      CYS   1  -2.832   4.653  -6.445
    7    H    LYS   2           H        LYS   2  -2.926   4.616  -2.891
    8    HA   LYS   2           HA       LYS   2  -3.887   6.650  -0.993
    9    HB2  LYS   2           HB3      LYS   2  -2.123   4.190  -0.848
   10    HB3  LYS   2           HB2      LYS   2  -2.490   5.183   0.562
   11    HG2  LYS   2           HG3      LYS   2  -4.806   4.689   0.450
   12    HG3  LYS   2           HG2      LYS   2  -4.677   4.073  -1.198
   13    HD2  LYS   2           HD3      LYS   2  -2.876   2.561   0.400
   14    HD3  LYS   2           HD2      LYS   2  -4.409   2.629   1.267
   15    HE2  LYS   2           HE3      LYS   2  -4.296   1.964  -1.686
   16    HE3  LYS   2           HE2      LYS   2  -4.163   0.712  -0.436
   17    HZ1  LYS   2           HZ1      LYS   2  -6.353   0.810  -0.171
   18    HZ2  LYS   2           HZ2      LYS   2  -6.480   2.051  -1.318
   19    HZ3  LYS   2           HZ3      LYS   2  -6.225   2.433   0.318
   20    H    GLY   3           H        GLY   3  -0.608   5.407  -0.880
   21    HA2  GLY   3           HA3      GLY   3   1.132   7.062  -1.987
   22    HA3  GLY   3           HA2      GLY   3   0.399   8.203  -0.858
   23    H    THR   4           H        THR   4   3.171   6.811  -1.037
   24    HA   THR   4           HA       THR   4   3.657   4.997   0.989
   25    HB   THR   4           HB       THR   4   5.753   6.707   1.206
   26    HG1  THR   4           HG1      THR   4   5.032   8.327  -0.025
   27   HG21  THR   4          HG21      THR   4   5.870   4.413   0.388
   28   HG22  THR   4          HG22      THR   4   6.685   5.478  -0.758
   29   HG23  THR   4          HG23      THR   4   5.062   4.881  -1.109
   30    H    GLY   5           H        GLY   5   2.917   5.019   3.044
   31    HA2  GLY   5           HA3      GLY   5   3.311   6.174   5.269
   32    HA3  GLY   5           HA2      GLY   5   2.760   7.648   4.464
   33    H    LYS   6           H        LYS   6   0.815   5.962   2.884
   34    HA   LYS   6           HA       LYS   6  -1.429   6.155   4.766
   35    HB2  LYS   6           HB3      LYS   6  -0.912   5.773   1.871
   36    HB3  LYS   6           HB2      LYS   6  -2.379   5.004   2.475
   37    HG2  LYS   6           HG3      LYS   6  -2.152   7.644   3.601
   38    HG3  LYS   6           HG2      LYS   6  -2.006   7.739   1.845
   39    HD2  LYS   6           HD3      LYS   6  -4.059   6.150   1.803
   40    HD3  LYS   6           HD2      LYS   6  -4.285   6.643   3.483
   41    HE2  LYS   6           HE3      LYS   6  -3.769   8.948   1.772
   42    HE3  LYS   6           HE2      LYS   6  -5.201   8.041   1.242
   43    HZ1  LYS   6           HZ1      LYS   6  -4.854   8.351   4.114
   44    HZ2  LYS   6           HZ2      LYS   6  -6.272   8.400   3.183
   45    HZ3  LYS   6           HZ3      LYS   6  -5.261   9.765   3.262
   46    H    SER   7           H        SER   7  -2.588   4.345   5.587
   47    HA   SER   7           HA       SER   7  -1.067   1.836   5.747
   48    HB2  SER   7           HB3      SER   7  -3.833   2.272   6.829
   49    HB3  SER   7           HB2      SER   7  -2.482   1.402   7.553
   50    HG   SER   7           HG       SER   7  -3.202   3.857   8.033
   51    H    CYS   8           H        CYS   8  -1.673  -0.133   4.845
   52    HA   CYS   8           HA       CYS   8  -4.253  -0.412   3.408
   53    HB2  CYS   8           HB3      CYS   8  -2.853  -1.052   1.305
   54    HB3  CYS   8           HB2      CYS   8  -2.985   0.671   1.697
   55    H    SER   9           H        SER   9  -3.771  -2.704   2.009
   56    HA   SER   9           HA       SER   9  -2.550  -4.588   4.000
   57    HB2  SER   9           HB3      SER   9  -5.241  -4.210   3.437
   58    HB3  SER   9           HB2      SER   9  -4.816  -5.604   2.447
   59    HG   SER   9           HG       SER   9  -4.782  -6.724   4.214
   60    H    ARG  10           H        ARG  10  -2.683  -6.926   2.689
   61    HA   ARG  10           HA       ARG  10  -0.987  -6.480   0.306
   62    HB2  ARG  10           HB3      ARG  10  -0.402  -8.830   0.637
   63    HB3  ARG  10           HB2      ARG  10  -0.348  -8.015   2.200
   64    HG2  ARG  10           HG3      ARG  10  -3.026  -8.941   1.731
   65    HG3  ARG  10           HG2      ARG  10  -1.905 -10.280   1.479
   66    HD2  ARG  10           HD3      ARG  10  -1.106 -10.202   3.679
   67    HD3  ARG  10           HD2      ARG  10  -1.582  -8.505   3.893
   68    HE   ARG  10           HE       ARG  10  -3.850  -9.212   4.232
   69   HH11  ARG  10          HH11      ARG  10  -3.671 -11.409   2.082
   70   HH12  ARG  10          HH12      ARG  10  -3.924 -12.824   3.048
   71   HH21  ARG  10          HH22      ARG  10  -3.338 -11.198   6.055
   72   HH22  ARG  10          HH21      ARG  10  -3.736 -12.704   5.297
   73    H    ILE  11           H        ILE  11  -3.808  -5.946   0.252
   74    HA   ILE  11           HA       ILE  11  -4.614  -7.828  -1.938
   75    HB   ILE  11           HB       ILE  11  -6.171  -6.878   0.477
   76   HG12  ILE  11          HG13      ILE  11  -5.472  -9.586  -0.686
   77   HG13  ILE  11          HG12      ILE  11  -4.893  -8.903   0.833
   78   HG21  ILE  11          HG21      ILE  11  -7.188  -8.184  -2.065
   79   HG22  ILE  11          HG22      ILE  11  -7.614  -6.582  -1.465
   80   HG23  ILE  11          HG23      ILE  11  -8.130  -8.020  -0.584
   81   HD11  ILE  11          HD11      ILE  11  -7.498 -10.166   0.202
   82   HD12  ILE  11          HD12      ILE  11  -7.582  -8.718   1.205
   83   HD13  ILE  11          HD13      ILE  11  -6.620 -10.099   1.732
   84    H    ALA  12           H        ALA  12  -5.121  -4.716  -0.327
   85    HA   ALA  12           HA       ALA  12  -6.568  -3.552  -2.589
   86    HB1  ALA  12           HB1      ALA  12  -6.883  -2.945  -0.179
   87    HB2  ALA  12           HB2      ALA  12  -6.488  -1.546  -1.177
   88    HB3  ALA  12           HB3      ALA  12  -5.247  -2.284  -0.163
   89    H    TYR  13           H        TYR  13  -5.055  -3.788  -4.346
   90    HA   TYR  13           HA       TYR  13  -2.358  -2.748  -4.161
   91    HB2  TYR  13           HB3      TYR  13  -2.537  -3.158  -6.719
   92    HB3  TYR  13           HB2      TYR  13  -2.661  -4.551  -5.649
   93    HD1  TYR  13           HD2      TYR  13  -4.994  -1.880  -6.918
   94    HD2  TYR  13           HD1      TYR  13  -4.312  -6.066  -6.235
   95    HE1  TYR  13           HE2      TYR  13  -7.239  -2.396  -7.833
   96    HE2  TYR  13           HE1      TYR  13  -6.558  -6.581  -7.149
   97    HH   TYR  13           HH       TYR  13  -8.568  -5.657  -7.704
   98    H    ASN  14           H        ASN  14  -4.129  -0.696  -3.412
   99    HA   ASN  14           HA       ASN  14  -4.188   1.121  -5.784
  100    HB2  ASN  14           HB3      ASN  14  -6.298   0.674  -4.540
  101    HB3  ASN  14           HB2      ASN  14  -5.537   1.270  -3.064
  102   HD21  ASN  14          HD22      ASN  14  -6.177   3.379  -2.645
  103   HD22  ASN  14          HD21      ASN  14  -6.450   4.572  -3.820
  104    H    CYS  15           H        CYS  15  -1.680   0.664  -4.722
  105    HA   CYS  15           HA       CYS  15  -1.093   2.882  -2.822
  106    HB2  CYS  15           HB3      CYS  15  -0.278   0.479  -2.580
  107    HB3  CYS  15           HB2      CYS  15   0.740   0.773  -3.990
  108    H    CYS  16           H        CYS  16  -0.153   4.764  -3.548
  109    HA   CYS  16           HA       CYS  16   0.133   5.389  -6.290
  110    HB2  CYS  16           HB3      CYS  16   1.355   6.576  -3.784
  111    HB3  CYS  16           HB2      CYS  16   1.383   7.368  -5.359
  112    H    THR  17           H        THR  17   2.242   3.657  -4.161
  113    HA   THR  17           HA       THR  17   4.653   4.183  -5.798
  114    HB   THR  17           HB       THR  17   4.422   2.161  -3.586
  115    HG1  THR  17           HG1      THR  17   4.012   4.901  -3.449
  116   HG21  THR  17          HG21      THR  17   6.561   2.539  -4.819
  117   HG22  THR  17          HG22      THR  17   6.685   2.912  -3.099
  118   HG23  THR  17          HG23      THR  17   6.537   4.217  -4.276
  119    H    GLY  18           H        GLY  18   2.068   1.974  -5.660
  120    HA2  GLY  18           HA3      GLY  18   1.831   0.471  -7.650
  121    HA3  GLY  18           HA2      GLY  18   3.546   0.100  -7.469
  122    H    SER  19           H        SER  19   4.044  -0.671  -5.072
  123    HA   SER  19           HA       SER  19   1.975  -2.733  -4.383
  124    HB2  SER  19           HB3      SER  19   4.564  -3.393  -3.384
  125    HB3  SER  19           HB2      SER  19   3.668  -4.196  -4.669
  126    HG   SER  19           HG       SER  19   4.526  -2.603  -6.103
  127    H    CYS  20           H        CYS  20   1.072  -2.408  -2.378
  128    HA   CYS  20           HA       CYS  20   2.140  -0.431  -0.571
  129    HB2  CYS  20           HB3      CYS  20  -0.297  -1.537  -1.266
  130    HB3  CYS  20           HB2      CYS  20   0.013  -2.140   0.349
  131    H    ARG  21           H        ARG  21   3.398  -0.874   1.265
  132    HA   ARG  21           HA       ARG  21   4.535  -3.489   1.626
  133    HB2  ARG  21           HB3      ARG  21   5.634  -2.463   3.523
  134    HB3  ARG  21           HB2      ARG  21   5.538  -1.259   2.239
  135    HG2  ARG  21           HG3      ARG  21   4.753   0.020   3.980
  136    HG3  ARG  21           HG2      ARG  21   3.233  -0.702   3.469
  137    HD2  ARG  21           HD3      ARG  21   3.015  -1.565   5.556
  138    HD3  ARG  21           HD2      ARG  21   4.448  -2.565   5.240
  139    HE   ARG  21           HE       ARG  21   5.206   0.154   5.865
  140   HH11  ARG  21          HH22      ARG  21   5.305  -3.039   6.880
  141   HH12  ARG  21          HH21      ARG  21   5.516  -2.686   8.562
  142   HH21  ARG  21          HH11      ARG  21   4.966   0.718   8.190
  143   HH22  ARG  21          HH12      ARG  21   5.326  -0.560   9.303
  144    H    SER  22           H        SER  22   4.425  -4.445   4.007
  145    HA   SER  22           HA       SER  22   1.863  -5.582   4.365
  146    HB2  SER  22           HB3      SER  22   3.058  -6.202   6.637
  147    HB3  SER  22           HB2      SER  22   3.657  -6.851   5.112
  148    HG   SER  22           HG       SER  22   4.937  -5.341   6.857
  149    H    GLY  23           H        GLY  23   1.122  -2.969   4.412
  150    HA2  GLY  23           HA3      GLY  23  -0.607  -2.433   6.309
  151    HA3  GLY  23           HA2      GLY  23   0.845  -2.244   7.287
  152    H    LYS  24           H        LYS  24   1.694  -1.197   4.255
  153    HA   LYS  24           HA       LYS  24   0.488   1.473   4.456
  154    HB2  LYS  24           HB3      LYS  24   2.901   0.790   5.780
  155    HB3  LYS  24           HB2      LYS  24   3.304   1.898   4.482
  156    HG2  LYS  24           HG3      LYS  24   2.584   3.582   5.788
  157    HG3  LYS  24           HG2      LYS  24   0.953   2.927   5.628
  158    HD2  LYS  24           HD3      LYS  24   1.035   2.658   7.878
  159    HD3  LYS  24           HD2      LYS  24   2.064   1.267   7.528
  160    HE2  LYS  24           HE3      LYS  24   4.074   2.604   7.788
  161    HE3  LYS  24           HE2      LYS  24   3.116   4.089   7.940
  162    HZ1  LYS  24           HZ1      LYS  24   3.772   2.256   9.955
  163    HZ2  LYS  24           HZ2      LYS  24   2.093   2.178   9.722
  164    HZ3  LYS  24           HZ3      LYS  24   2.831   3.664  10.086
  165    H    CYS  25           H        CYS  25   1.943   2.988   2.947
  166    HA   CYS  25           HA       CYS  25   2.116   1.566   0.333
  167    HB2  CYS  25           HB3      CYS  25   1.065   4.028   1.321
  168    HB3  CYS  25           HB2      CYS  25   2.248   4.366   0.062
  Start of MODEL   11
    1    H1   CYS   1           H1       CYS   1  -6.122   6.328  -5.398
    2    H2   CYS   1           H2       CYS   1  -5.005   6.631  -6.642
    3    H3   CYS   1           H3       CYS   1  -5.061   7.646  -5.281
    4    HA   CYS   1           HA       CYS   1  -4.498   4.775  -4.917
    5    HB2  CYS   1           HB2      CYS   1  -2.036   5.598  -5.144
    6    HB3  CYS   1           HB3      CYS   1  -2.949   5.278  -6.615
    7    H    LYS   2           H        LYS   2  -2.857   4.676  -3.061
    8    HA   LYS   2           HA       LYS   2  -3.782   6.462  -0.907
    9    HB2  LYS   2           HB3      LYS   2  -2.048   4.003  -1.162
   10    HB3  LYS   2           HB2      LYS   2  -2.173   4.871   0.366
   11    HG2  LYS   2           HG3      LYS   2  -4.453   4.393   0.604
   12    HG3  LYS   2           HG2      LYS   2  -4.664   4.076  -1.119
   13    HD2  LYS   2           HD3      LYS   2  -2.716   2.237  -0.229
   14    HD3  LYS   2           HD2      LYS   2  -3.989   2.221   0.992
   15    HE2  LYS   2           HE3      LYS   2  -5.362   2.279  -1.461
   16    HE3  LYS   2           HE2      LYS   2  -4.043   1.114  -1.694
   17    HZ1  LYS   2           HZ1      LYS   2  -5.564  -0.192  -0.613
   18    HZ2  LYS   2           HZ2      LYS   2  -6.209   1.091   0.288
   19    HZ3  LYS   2           HZ3      LYS   2  -4.708   0.424   0.719
   20    H    GLY   3           H        GLY   3  -0.491   5.354  -0.799
   21    HA2  GLY   3           HA3      GLY   3   1.230   7.046  -1.885
   22    HA3  GLY   3           HA2      GLY   3   0.437   8.174  -0.782
   23    H    THR   4           H        THR   4   3.246   6.834  -0.886
   24    HA   THR   4           HA       THR   4   3.740   5.048   1.149
   25    HB   THR   4           HB       THR   4   5.726   6.918   1.454
   26    HG1  THR   4           HG1      THR   4   4.541   8.269  -0.017
   27   HG21  THR   4          HG21      THR   4   5.362   4.965  -0.831
   28   HG22  THR   4          HG22      THR   4   5.947   4.546   0.779
   29   HG23  THR   4          HG23      THR   4   6.902   5.607  -0.257
   30    H    GLY   5           H        GLY   5   3.053   5.001   3.226
   31    HA2  GLY   5           HA3      GLY   5   3.259   6.116   5.461
   32    HA3  GLY   5           HA2      GLY   5   2.750   7.610   4.666
   33    H    LYS   6           H        LYS   6   0.893   5.912   2.965
   34    HA   LYS   6           HA       LYS   6  -1.455   6.117   4.708
   35    HB2  LYS   6           HB3      LYS   6  -0.866   6.266   1.991
   36    HB3  LYS   6           HB2      LYS   6  -1.709   4.725   2.141
   37    HG2  LYS   6           HG3      LYS   6  -3.328   6.511   1.726
   38    HG3  LYS   6           HG2      LYS   6  -3.546   5.873   3.357
   39    HD2  LYS   6           HD3      LYS   6  -2.910   7.823   4.338
   40    HD3  LYS   6           HD2      LYS   6  -1.611   8.091   3.175
   41    HE2  LYS   6           HE3      LYS   6  -3.057   9.815   2.569
   42    HE3  LYS   6           HE2      LYS   6  -3.685   8.522   1.528
   43    HZ1  LYS   6           HZ1      LYS   6  -4.986   7.914   3.699
   44    HZ2  LYS   6           HZ2      LYS   6  -5.584   9.097   2.641
   45    HZ3  LYS   6           HZ3      LYS   6  -4.762   9.560   4.053
   46    H    SER   7           H        SER   7  -2.803   4.239   5.231
   47    HA   SER   7           HA       SER   7  -1.205   1.763   5.609
   48    HB2  SER   7           HB3      SER   7  -3.598   1.374   6.853
   49    HB3  SER   7           HB2      SER   7  -2.239   2.211   7.599
   50    HG   SER   7           HG       SER   7  -3.884   3.626   7.756
   51    H    CYS   8           H        CYS   8  -1.686  -0.160   4.570
   52    HA   CYS   8           HA       CYS   8  -4.248  -0.401   3.053
   53    HB2  CYS   8           HB3      CYS   8  -2.734  -1.202   1.085
   54    HB3  CYS   8           HB2      CYS   8  -2.818   0.540   1.395
   55    H    SER   9           H        SER   9  -3.898  -2.772   1.812
   56    HA   SER   9           HA       SER   9  -2.843  -4.650   3.905
   57    HB2  SER   9           HB3      SER   9  -4.882  -5.723   3.978
   58    HB3  SER   9           HB2      SER   9  -5.457  -4.123   3.514
   59    HG   SER   9           HG       SER   9  -5.600  -4.787   1.422
   60    H    ARG  10           H        ARG  10  -3.189  -7.031   2.661
   61    HA   ARG  10           HA       ARG  10  -1.395  -6.827   0.319
   62    HB2  ARG  10           HB3      ARG  10  -0.947  -9.138   0.766
   63    HB3  ARG  10           HB2      ARG  10  -1.102  -8.385   2.354
   64    HG2  ARG  10           HG3      ARG  10  -3.588  -9.041   2.237
   65    HG3  ARG  10           HG2      ARG  10  -3.128 -10.081   0.888
   66    HD2  ARG  10           HD3      ARG  10  -2.153 -10.234   3.756
   67    HD3  ARG  10           HD2      ARG  10  -2.983 -11.490   2.814
   68    HE   ARG  10           HE       ARG  10  -0.183 -10.568   2.327
   69   HH11  ARG  10          HH22      ARG  10  -1.392 -11.511  -0.185
   70   HH12  ARG  10          HH21      ARG  10  -1.086 -13.215  -0.154
   71   HH21  ARG  10          HH11      ARG  10  -0.398 -13.298   3.243
   72   HH22  ARG  10          HH12      ARG  10  -0.523 -14.227   1.786
   73    H    ILE  11           H        ILE  11  -4.164  -6.021   0.194
   74    HA   ILE  11           HA       ILE  11  -5.092  -7.845  -1.993
   75    HB   ILE  11           HB       ILE  11  -6.717  -6.571   0.231
   76   HG12  ILE  11          HG13      ILE  11  -6.984  -9.428  -0.037
   77   HG13  ILE  11          HG12      ILE  11  -5.275  -9.016   0.108
   78   HG21  ILE  11          HG21      ILE  11  -7.409  -7.719  -2.394
   79   HG22  ILE  11          HG22      ILE  11  -8.341  -6.641  -1.355
   80   HG23  ILE  11          HG23      ILE  11  -8.337  -8.377  -1.047
   81   HD11  ILE  11          HD11      ILE  11  -7.146  -9.167   2.199
   82   HD12  ILE  11          HD12      ILE  11  -6.869  -7.443   1.951
   83   HD13  ILE  11          HD13      ILE  11  -5.511  -8.514   2.292
   84    H    ALA  12           H        ALA  12  -6.138  -4.809  -0.450
   85    HA   ALA  12           HA       ALA  12  -6.719  -3.576  -3.041
   86    HB1  ALA  12           HB1      ALA  12  -8.153  -2.699  -1.489
   87    HB2  ALA  12           HB2      ALA  12  -6.820  -1.599  -1.135
   88    HB3  ALA  12           HB3      ALA  12  -7.055  -3.045  -0.153
   89    H    TYR  13           H        TYR  13  -4.323  -4.027  -3.639
   90    HA   TYR  13           HA       TYR  13  -2.300  -2.329  -2.456
   91    HB2  TYR  13           HB3      TYR  13  -1.069  -3.164  -4.622
   92    HB3  TYR  13           HB2      TYR  13  -1.453  -4.319  -3.349
   93    HD1  TYR  13           HD1      TYR  13  -2.934  -2.835  -6.466
   94    HD2  TYR  13           HD2      TYR  13  -2.630  -6.259  -3.887
   95    HE1  TYR  13           HE1      TYR  13  -4.290  -4.161  -8.064
   96    HE2  TYR  13           HE2      TYR  13  -3.983  -7.583  -5.487
   97    HH   TYR  13           HH       TYR  13  -4.378  -7.181  -8.336
   98    H    ASN  14           H        ASN  14  -4.215  -0.573  -3.025
   99    HA   ASN  14           HA       ASN  14  -3.853   0.597  -5.706
  100    HB2  ASN  14           HB3      ASN  14  -6.056   0.596  -4.743
  101    HB3  ASN  14           HB2      ASN  14  -5.456   1.242  -3.217
  102   HD21  ASN  14          HD22      ASN  14  -6.301   3.327  -3.063
  103   HD22  ASN  14          HD21      ASN  14  -6.238   4.490  -4.297
  104    H    CYS  15           H        CYS  15  -1.419   0.499  -4.390
  105    HA   CYS  15           HA       CYS  15  -0.909   3.056  -3.013
  106    HB2  CYS  15           HB3      CYS  15   0.136   0.719  -2.601
  107    HB3  CYS  15           HB2      CYS  15   1.120   1.061  -4.024
  108    H    CYS  16           H        CYS  16  -0.549   4.895  -4.179
  109    HA   CYS  16           HA       CYS  16  -0.320   5.109  -6.959
  110    HB2  CYS  16           HB3      CYS  16  -0.347   6.753  -4.705
  111    HB3  CYS  16           HB2      CYS  16   1.181   7.135  -5.499
  112    H    THR  17           H        THR  17   2.071   4.067  -4.681
  113    HA   THR  17           HA       THR  17   4.353   4.716  -6.430
  114    HB   THR  17           HB       THR  17   4.646   2.887  -4.122
  115    HG1  THR  17           HG1      THR  17   3.751   4.153  -2.704
  116   HG21  THR  17          HG21      THR  17   5.916   5.519  -4.931
  117   HG22  THR  17          HG22      THR  17   6.581   3.909  -5.212
  118   HG23  THR  17          HG23      THR  17   6.431   4.527  -3.567
  119    H    GLY  18           H        GLY  18   2.564   1.898  -5.353
  120    HA2  GLY  18           HA3      GLY  18   2.519   0.320  -7.554
  121    HA3  GLY  18           HA2      GLY  18   4.184   0.084  -7.019
  122    H    SER  19           H        SER  19   4.518  -1.513  -5.537
  123    HA   SER  19           HA       SER  19   2.234  -2.998  -4.460
  124    HB2  SER  19           HB3      SER  19   4.492  -3.987  -3.263
  125    HB3  SER  19           HB2      SER  19   3.945  -4.464  -4.867
  126    HG   SER  19           HG       SER  19   5.871  -2.518  -4.145
  127    H    CYS  20           H        CYS  20   1.317  -2.610  -2.448
  128    HA   CYS  20           HA       CYS  20   2.318  -0.469  -0.804
  129    HB2  CYS  20           HB3      CYS  20  -0.091  -1.600  -1.386
  130    HB3  CYS  20           HB2      CYS  20   0.255  -2.254   0.206
  131    H    ARG  21           H        ARG  21   3.298  -0.648   1.231
  132    HA   ARG  21           HA       ARG  21   4.868  -2.970   1.821
  133    HB2  ARG  21           HB3      ARG  21   4.810  -0.350   2.543
  134    HB3  ARG  21           HB2      ARG  21   4.143  -1.089   4.000
  135    HG2  ARG  21           HG3      ARG  21   6.179  -2.778   3.623
  136    HG3  ARG  21           HG2      ARG  21   6.865  -1.373   2.803
  137    HD2  ARG  21           HD3      ARG  21   6.144  -0.054   4.939
  138    HD3  ARG  21           HD2      ARG  21   6.069  -1.656   5.699
  139    HE   ARG  21           HE       ARG  21   8.424  -1.661   5.656
  140   HH11  ARG  21          HH11      ARG  21   8.396   1.316   5.028
  141   HH12  ARG  21          HH12      ARG  21   9.386   1.369   3.608
  142   HH21  ARG  21          HH22      ARG  21   9.163  -2.035   2.998
  143   HH22  ARG  21          HH21      ARG  21   9.819  -0.527   2.458
  144    H    SER  22           H        SER  22   4.667  -4.021   4.105
  145    HA   SER  22           HA       SER  22   2.258  -5.516   4.259
  146    HB2  SER  22           HB3      SER  22   4.202  -6.535   5.077
  147    HB3  SER  22           HB2      SER  22   4.700  -5.089   5.952
  148    HG   SER  22           HG       SER  22   3.895  -6.455   7.470
  149    H    GLY  23           H        GLY  23   1.200  -3.024   4.302
  150    HA2  GLY  23           HA3      GLY  23  -0.698  -2.633   6.014
  151    HA3  GLY  23           HA2      GLY  23   0.619  -2.442   7.169
  152    H    LYS  24           H        LYS  24   1.752  -1.219   4.300
  153    HA   LYS  24           HA       LYS  24   0.467   1.425   4.546
  154    HB2  LYS  24           HB3      LYS  24   2.865   0.707   5.908
  155    HB3  LYS  24           HB2      LYS  24   3.270   1.887   4.680
  156    HG2  LYS  24           HG3      LYS  24   2.419   3.521   5.961
  157    HG3  LYS  24           HG2      LYS  24   0.844   2.726   5.924
  158    HD2  LYS  24           HD3      LYS  24   1.320   1.459   7.882
  159    HD3  LYS  24           HD2      LYS  24   3.040   1.842   7.802
  160    HE2  LYS  24           HE3      LYS  24   2.151   4.345   7.994
  161    HE3  LYS  24           HE2      LYS  24   0.769   3.541   8.765
  162    HZ1  LYS  24           HZ1      LYS  24   2.658   4.076  10.302
  163    HZ2  LYS  24           HZ2      LYS  24   3.591   2.940   9.456
  164    HZ3  LYS  24           HZ3      LYS  24   2.193   2.442  10.284
  165    H    CYS  25           H        CYS  25   2.026   2.993   3.123
  166    HA   CYS  25           HA       CYS  25   2.322   1.592   0.502
  167    HB2  CYS  25           HB3      CYS  25   1.218   4.074   1.442
  168    HB3  CYS  25           HB2      CYS  25   2.397   4.365   0.167
  Start of MODEL   12
    1    H1   CYS   1           H1       CYS   1  -5.102   6.613  -6.314
    2    H2   CYS   1           H2       CYS   1  -5.041   7.643  -4.965
    3    H3   CYS   1           H3       CYS   1  -6.163   6.369  -5.013
    4    HA   CYS   1           HA       CYS   1  -4.522   4.735  -4.710
    5    HB2  CYS   1           HB2      CYS   1  -2.085   5.522  -4.872
    6    HB3  CYS   1           HB3      CYS   1  -2.992   5.499  -6.385
    7    H    LYS   2           H        LYS   2  -2.645   4.730  -2.914
    8    HA   LYS   2           HA       LYS   2  -3.765   6.191  -0.594
    9    HB2  LYS   2           HB3      LYS   2  -1.803   3.942  -1.055
   10    HB3  LYS   2           HB2      LYS   2  -2.014   4.661   0.541
   11    HG2  LYS   2           HG3      LYS   2  -3.774   3.287   0.835
   12    HG3  LYS   2           HG2      LYS   2  -4.618   4.217  -0.404
   13    HD2  LYS   2           HD3      LYS   2  -4.605   1.826  -0.986
   14    HD3  LYS   2           HD2      LYS   2  -3.659   2.752  -2.153
   15    HE2  LYS   2           HE3      LYS   2  -1.707   1.731  -1.553
   16    HE3  LYS   2           HE2      LYS   2  -2.113   1.772   0.173
   17    HZ1  LYS   2           HZ1      LYS   2  -3.449  -0.005  -1.794
   18    HZ2  LYS   2           HZ2      LYS   2  -3.623  -0.032  -0.107
   19    HZ3  LYS   2           HZ3      LYS   2  -2.152  -0.499  -0.814
   20    H    GLY   3           H        GLY   3  -0.377   5.370  -1.144
   21    HA2  GLY   3           HA3      GLY   3   1.191   7.245  -1.875
   22    HA3  GLY   3           HA2      GLY   3   0.318   8.247  -0.713
   23    H    THR   4           H        THR   4   3.188   6.828  -0.983
   24    HA   THR   4           HA       THR   4   3.722   5.084   1.065
   25    HB   THR   4           HB       THR   4   5.772   6.886   1.261
   26    HG1  THR   4           HG1      THR   4   5.060   8.400  -0.085
   27   HG21  THR   4          HG21      THR   4   5.646   4.442   0.470
   28   HG22  THR   4          HG22      THR   4   6.882   5.455  -0.272
   29   HG23  THR   4          HG23      THR   4   5.387   5.107  -1.142
   30    H    GLY   5           H        GLY   5   2.888   5.106   3.069
   31    HA2  GLY   5           HA3      GLY   5   3.273   6.217   5.326
   32    HA3  GLY   5           HA2      GLY   5   2.732   7.705   4.538
   33    H    LYS   6           H        LYS   6   0.861   5.880   2.911
   34    HA   LYS   6           HA       LYS   6  -1.452   6.121   4.709
   35    HB2  LYS   6           HB3      LYS   6  -0.827   5.756   1.859
   36    HB3  LYS   6           HB2      LYS   6  -2.222   4.818   2.389
   37    HG2  LYS   6           HG3      LYS   6  -2.007   7.689   3.221
   38    HG3  LYS   6           HG2      LYS   6  -2.533   7.310   1.579
   39    HD2  LYS   6           HD3      LYS   6  -4.426   6.116   2.330
   40    HD3  LYS   6           HD2      LYS   6  -3.780   5.945   3.962
   41    HE2  LYS   6           HE3      LYS   6  -4.183   8.247   4.475
   42    HE3  LYS   6           HE2      LYS   6  -4.469   8.647   2.769
   43    HZ1  LYS   6           HZ1      LYS   6  -6.520   7.742   2.799
   44    HZ2  LYS   6           HZ2      LYS   6  -6.431   8.022   4.470
   45    HZ3  LYS   6           HZ3      LYS   6  -6.076   6.482   3.847
   46    H    SER   7           H        SER   7  -2.571   4.328   5.583
   47    HA   SER   7           HA       SER   7  -1.043   1.826   5.802
   48    HB2  SER   7           HB3      SER   7  -3.777   2.586   6.865
   49    HB3  SER   7           HB2      SER   7  -2.736   1.299   7.467
   50    HG   SER   7           HG       SER   7  -1.224   2.901   8.049
   51    H    CYS   8           H        CYS   8  -1.462  -0.037   4.633
   52    HA   CYS   8           HA       CYS   8  -4.107  -0.248   3.224
   53    HB2  CYS   8           HB3      CYS   8  -2.711  -1.034   1.208
   54    HB3  CYS   8           HB2      CYS   8  -2.618   0.690   1.595
   55    H    SER   9           H        SER   9  -4.289  -2.548   2.234
   56    HA   SER   9           HA       SER   9  -3.246  -4.509   4.240
   57    HB2  SER   9           HB3      SER   9  -5.347  -5.367   2.382
   58    HB3  SER   9           HB2      SER   9  -5.336  -5.394   4.143
   59    HG   SER   9           HG       SER   9  -6.425  -3.601   4.132
   60    H    ARG  10           H        ARG  10  -3.284  -6.852   2.990
   61    HA   ARG  10           HA       ARG  10  -1.298  -6.547   0.819
   62    HB2  ARG  10           HB3      ARG  10  -0.971  -8.986   1.242
   63    HB3  ARG  10           HB2      ARG  10  -0.827  -8.041   2.725
   64    HG2  ARG  10           HG3      ARG  10  -2.822  -8.823   3.583
   65    HG3  ARG  10           HG2      ARG  10  -3.533  -9.070   1.988
   66    HD2  ARG  10           HD3      ARG  10  -3.031 -11.244   3.077
   67    HD3  ARG  10           HD2      ARG  10  -2.017 -11.020   1.638
   68    HE   ARG  10           HE       ARG  10  -1.053 -10.401   4.408
   69   HH11  ARG  10          HH22      ARG  10  -0.318 -13.066   3.294
   70   HH12  ARG  10          HH21      ARG  10   1.212 -12.751   2.547
   71   HH21  ARG  10          HH11      ARG  10   0.799  -9.308   2.533
   72   HH22  ARG  10          HH12      ARG  10   1.845 -10.625   2.119
   73    H    ILE  11           H        ILE  11  -4.070  -5.919   0.402
   74    HA   ILE  11           HA       ILE  11  -4.643  -7.811  -1.843
   75    HB   ILE  11           HB       ILE  11  -6.525  -6.808   0.310
   76   HG12  ILE  11          HG13      ILE  11  -4.983  -8.813   0.718
   77   HG13  ILE  11          HG12      ILE  11  -6.708  -9.099   0.943
   78   HG21  ILE  11          HG21      ILE  11  -8.258  -8.098  -0.923
   79   HG22  ILE  11          HG22      ILE  11  -7.096  -8.374  -2.223
   80   HG23  ILE  11          HG23      ILE  11  -7.645  -6.737  -1.862
   81   HD11  ILE  11          HD11      ILE  11  -6.864 -10.068  -1.307
   82   HD12  ILE  11          HD12      ILE  11  -5.634 -10.916  -0.370
   83   HD13  ILE  11          HD13      ILE  11  -5.155  -9.732  -1.586
   84    H    ALA  12           H        ALA  12  -5.218  -4.650  -0.344
   85    HA   ALA  12           HA       ALA  12  -6.453  -3.515  -2.744
   86    HB1  ALA  12           HB1      ALA  12  -5.732  -2.732   0.021
   87    HB2  ALA  12           HB2      ALA  12  -7.177  -2.342  -0.913
   88    HB3  ALA  12           HB3      ALA  12  -5.694  -1.416  -1.154
   89    H    TYR  13           H        TYR  13  -4.643  -4.152  -4.215
   90    HA   TYR  13           HA       TYR  13  -2.017  -2.997  -3.876
   91    HB2  TYR  13           HB3      TYR  13  -3.527  -4.460  -6.037
   92    HB3  TYR  13           HB2      TYR  13  -1.911  -3.827  -6.342
   93    HD1  TYR  13           HD2      TYR  13  -3.417  -5.409  -3.279
   94    HD2  TYR  13           HD1      TYR  13  -0.430  -5.632  -6.359
   95    HE1  TYR  13           HE2      TYR  13  -2.431  -7.389  -2.174
   96    HE2  TYR  13           HE1      TYR  13   0.556  -7.619  -5.251
   97    HH   TYR  13           HH       TYR  13  -0.512  -9.504  -3.573
   98    H    ASN  14           H        ASN  14  -3.678  -0.837  -3.622
   99    HA   ASN  14           HA       ASN  14  -3.522   0.528  -6.284
  100    HB2  ASN  14           HB3      ASN  14  -5.448   1.797  -5.574
  101    HB3  ASN  14           HB2      ASN  14  -5.788   0.105  -5.205
  102   HD21  ASN  14          HD22      ASN  14  -5.733   3.223  -3.852
  103   HD22  ASN  14          HD21      ASN  14  -5.757   2.779  -2.214
  104    H    CYS  15           H        CYS  15  -1.254   0.372  -4.624
  105    HA   CYS  15           HA       CYS  15  -1.034   2.832  -3.028
  106    HB2  CYS  15           HB3      CYS  15   0.142   0.630  -2.591
  107    HB3  CYS  15           HB2      CYS  15   1.120   0.940  -4.025
  108    H    CYS  16           H        CYS  16  -0.537   4.797  -3.913
  109    HA   CYS  16           HA       CYS  16  -0.275   5.330  -6.642
  110    HB2  CYS  16           HB3      CYS  16  -0.292   6.696  -4.202
  111    HB3  CYS  16           HB2      CYS  16   1.219   7.181  -4.973
  112    H    THR  17           H        THR  17   2.108   3.991  -4.514
  113    HA   THR  17           HA       THR  17   4.351   4.801  -6.278
  114    HB   THR  17           HB       THR  17   4.339   4.807  -3.707
  115    HG1  THR  17           HG1      THR  17   6.402   3.153  -4.558
  116   HG21  THR  17          HG21      THR  17   3.415   2.246  -4.026
  117   HG22  THR  17          HG22      THR  17   4.158   2.861  -2.550
  118   HG23  THR  17          HG23      THR  17   5.129   1.968  -3.720
  119    H    GLY  18           H        GLY  18   2.318   2.101  -5.587
  120    HA2  GLY  18           HA3      GLY  18   2.432   0.531  -7.716
  121    HA3  GLY  18           HA2      GLY  18   4.066   0.242  -7.114
  122    H    SER  19           H        SER  19   4.290  -1.420  -5.686
  123    HA   SER  19           HA       SER  19   1.879  -2.776  -4.670
  124    HB2  SER  19           HB3      SER  19   4.865  -3.254  -4.526
  125    HB3  SER  19           HB2      SER  19   3.698  -4.315  -3.742
  126    HG   SER  19           HG       SER  19   3.628  -5.225  -5.641
  127    H    CYS  20           H        CYS  20   1.104  -2.516  -2.581
  128    HA   CYS  20           HA       CYS  20   2.312  -0.517  -0.878
  129    HB2  CYS  20           HB3      CYS  20  -0.207  -1.313  -1.437
  130    HB3  CYS  20           HB2      CYS  20   0.102  -2.188   0.054
  131    H    ARG  21           H        ARG  21   3.116  -0.889   1.259
  132    HA   ARG  21           HA       ARG  21   4.413  -3.476   1.672
  133    HB2  ARG  21           HB3      ARG  21   5.082  -0.993   2.307
  134    HB3  ARG  21           HB2      ARG  21   4.140  -1.331   3.761
  135    HG2  ARG  21           HG3      ARG  21   5.607  -3.595   3.650
  136    HG3  ARG  21           HG2      ARG  21   6.736  -2.482   2.878
  137    HD2  ARG  21           HD3      ARG  21   7.297  -1.674   4.915
  138    HD3  ARG  21           HD2      ARG  21   5.617  -1.152   5.157
  139    HE   ARG  21           HE       ARG  21   5.775  -3.984   5.542
  140   HH11  ARG  21          HH11      ARG  21   4.729  -1.563   7.291
  141   HH12  ARG  21          HH12      ARG  21   5.573  -1.906   8.764
  142   HH21  ARG  21          HH22      ARG  21   7.735  -4.192   7.305
  143   HH22  ARG  21          HH21      ARG  21   7.275  -3.395   8.773
  144    H    SER  22           H        SER  22   4.030  -4.739   3.692
  145    HA   SER  22           HA       SER  22   1.314  -5.447   4.080
  146    HB2  SER  22           HB3      SER  22   2.241  -6.950   5.733
  147    HB3  SER  22           HB2      SER  22   3.394  -6.833   4.406
  148    HG   SER  22           HG       SER  22   3.721  -6.217   6.990
  149    H    GLY  23           H        GLY  23   1.052  -2.810   4.504
  150    HA2  GLY  23           HA3      GLY  23  -0.338  -2.394   6.793
  151    HA3  GLY  23           HA2      GLY  23   1.316  -2.192   7.368
  152    H    LYS  24           H        LYS  24   1.997  -1.079   4.564
  153    HA   LYS  24           HA       LYS  24   0.511   1.471   4.592
  154    HB2  LYS  24           HB3      LYS  24   2.934   1.054   6.016
  155    HB3  LYS  24           HB2      LYS  24   3.285   2.132   4.676
  156    HG2  LYS  24           HG3      LYS  24   2.022   3.821   5.528
  157    HG3  LYS  24           HG2      LYS  24   0.774   2.721   6.119
  158    HD2  LYS  24           HD3      LYS  24   2.134   2.123   8.041
  159    HD3  LYS  24           HD2      LYS  24   3.491   3.064   7.421
  160    HE2  LYS  24           HE3      LYS  24   2.675   4.858   8.540
  161    HE3  LYS  24           HE2      LYS  24   1.254   4.819   7.478
  162    HZ1  LYS  24           HZ1      LYS  24   1.608   3.667  10.142
  163    HZ2  LYS  24           HZ2      LYS  24   0.658   2.798   9.039
  164    HZ3  LYS  24           HZ3      LYS  24   0.235   4.391   9.450
  165    H    CYS  25           H        CYS  25   1.965   3.035   3.053
  166    HA   CYS  25           HA       CYS  25   2.240   1.535   0.497
  167    HB2  CYS  25           HB3      CYS  25   1.181   4.040   1.383
  168    HB3  CYS  25           HB2      CYS  25   2.385   4.318   0.130
  Start of MODEL   13
    1    H1   CYS   1           H1       CYS   1  -4.561   7.387  -5.817
    2    H2   CYS   1           H2       CYS   1  -5.578   6.092  -6.237
    3    H3   CYS   1           H3       CYS   1  -4.085   6.291  -7.022
    4    HA   CYS   1           HA       CYS   1  -4.464   4.612  -4.963
    5    HB2  CYS   1           HB2      CYS   1  -1.938   4.803  -4.838
    6    HB3  CYS   1           HB3      CYS   1  -2.583   4.622  -6.470
    7    H    LYS   2           H        LYS   2  -2.864   4.792  -2.893
    8    HA   LYS   2           HA       LYS   2  -3.986   7.000  -1.283
    9    HB2  LYS   2           HB3      LYS   2  -2.196   4.649  -0.585
   10    HB3  LYS   2           HB2      LYS   2  -3.058   5.669   0.569
   11    HG2  LYS   2           HG3      LYS   2  -5.073   4.685   0.134
   12    HG3  LYS   2           HG2      LYS   2  -4.718   4.487  -1.582
   13    HD2  LYS   2           HD3      LYS   2  -4.824   2.293  -0.493
   14    HD3  LYS   2           HD2      LYS   2  -3.173   2.624  -1.026
   15    HE2  LYS   2           HE3      LYS   2  -2.449   2.361   1.099
   16    HE3  LYS   2           HE2      LYS   2  -3.492   3.702   1.614
   17    HZ1  LYS   2           HZ1      LYS   2  -4.420   0.913   1.166
   18    HZ2  LYS   2           HZ2      LYS   2  -5.357   2.206   1.735
   19    HZ3  LYS   2           HZ3      LYS   2  -4.098   1.588   2.691
   20    H    GLY   3           H        GLY   3  -0.858   5.888  -0.336
   21    HA2  GLY   3           HA3      GLY   3   0.932   7.503  -1.718
   22    HA3  GLY   3           HA2      GLY   3   0.230   8.572  -0.503
   23    H    THR   4           H        THR   4   2.974   7.109  -0.883
   24    HA   THR   4           HA       THR   4   3.511   5.215   1.038
   25    HB   THR   4           HB       THR   4   5.644   6.849   1.260
   26    HG1  THR   4           HG1      THR   4   5.735   8.000  -0.735
   27   HG21  THR   4          HG21      THR   4   5.292   5.656  -1.426
   28   HG22  THR   4          HG22      THR   4   5.016   4.575  -0.065
   29   HG23  THR   4          HG23      THR   4   6.568   5.388  -0.237
   30    H    GLY   5           H        GLY   5   2.692   5.170   3.057
   31    HA2  GLY   5           HA3      GLY   5   3.229   6.194   5.350
   32    HA3  GLY   5           HA2      GLY   5   2.634   7.701   4.641
   33    H    LYS   6           H        LYS   6   0.689   5.952   3.038
   34    HA   LYS   6           HA       LYS   6  -1.515   6.083   4.982
   35    HB2  LYS   6           HB3      LYS   6  -1.208   6.382   2.258
   36    HB3  LYS   6           HB2      LYS   6  -1.910   4.768   2.370
   37    HG2  LYS   6           HG3      LYS   6  -3.826   6.082   2.319
   38    HG3  LYS   6           HG2      LYS   6  -3.566   5.934   4.057
   39    HD2  LYS   6           HD3      LYS   6  -3.153   8.143   4.280
   40    HD3  LYS   6           HD2      LYS   6  -2.058   8.150   2.897
   41    HE2  LYS   6           HE3      LYS   6  -3.832   9.536   2.171
   42    HE3  LYS   6           HE2      LYS   6  -4.271   7.959   1.484
   43    HZ1  LYS   6           HZ1      LYS   6  -5.335   9.291   3.889
   44    HZ2  LYS   6           HZ2      LYS   6  -5.364   7.598   3.782
   45    HZ3  LYS   6           HZ3      LYS   6  -6.180   8.537   2.623
   46    H    SER   7           H        SER   7  -2.789   4.147   5.540
   47    HA   SER   7           HA       SER   7  -1.084   1.737   5.788
   48    HB2  SER   7           HB3      SER   7  -2.805   1.082   7.403
   49    HB3  SER   7           HB2      SER   7  -2.328   2.752   7.693
   50    HG   SER   7           HG       SER   7  -4.607   2.472   7.663
   51    H    CYS   8           H        CYS   8  -1.406  -0.124   4.588
   52    HA   CYS   8           HA       CYS   8  -4.032  -0.447   3.161
   53    HB2  CYS   8           HB3      CYS   8  -2.585  -1.177   1.153
   54    HB3  CYS   8           HB2      CYS   8  -2.591   0.556   1.521
   55    H    SER   9           H        SER   9  -3.677  -2.783   1.889
   56    HA   SER   9           HA       SER   9  -2.529  -4.693   3.895
   57    HB2  SER   9           HB3      SER   9  -5.213  -4.139   3.473
   58    HB3  SER   9           HB2      SER   9  -4.949  -5.580   2.497
   59    HG   SER   9           HG       SER   9  -4.683  -5.190   5.262
   60    H    ARG  10           H        ARG  10  -2.989  -7.048   2.625
   61    HA   ARG  10           HA       ARG  10  -1.324  -6.818   0.191
   62    HB2  ARG  10           HB3      ARG  10  -0.985  -9.207   0.539
   63    HB3  ARG  10           HB2      ARG  10  -0.823  -8.398   2.098
   64    HG2  ARG  10           HG3      ARG  10  -3.592  -9.091   1.583
   65    HG3  ARG  10           HG2      ARG  10  -2.560 -10.517   1.481
   66    HD2  ARG  10           HD3      ARG  10  -1.816  -8.821   3.741
   67    HD3  ARG  10           HD2      ARG  10  -3.499  -9.373   3.846
   68    HE   ARG  10           HE       ARG  10  -2.577 -11.484   4.346
   69   HH11  ARG  10          HH11      ARG  10   0.248 -10.212   4.172
   70   HH12  ARG  10          HH12      ARG  10   1.002 -11.299   3.052
   71   HH21  ARG  10          HH22      ARG  10  -1.988 -12.701   1.994
   72   HH22  ARG  10          HH21      ARG  10  -0.266 -12.704   1.815
   73    H    ILE  11           H        ILE  11  -4.055  -5.965   0.195
   74    HA   ILE  11           HA       ILE  11  -5.137  -7.740  -1.961
   75    HB   ILE  11           HB       ILE  11  -6.442  -6.701   0.554
   76   HG12  ILE  11          HG13      ILE  11  -5.334  -9.004   0.318
   77   HG13  ILE  11          HG12      ILE  11  -6.992  -8.979   0.918
   78   HG21  ILE  11          HG21      ILE  11  -7.644  -7.061  -2.122
   79   HG22  ILE  11          HG22      ILE  11  -8.232  -6.139  -0.739
   80   HG23  ILE  11          HG23      ILE  11  -8.499  -7.880  -0.815
   81   HD11  ILE  11          HD11      ILE  11  -6.707 -10.716  -0.816
   82   HD12  ILE  11          HD12      ILE  11  -6.170  -9.484  -1.958
   83   HD13  ILE  11          HD13      ILE  11  -7.827  -9.465  -1.353
   84    H    ALA  12           H        ALA  12  -5.377  -4.625  -0.282
   85    HA   ALA  12           HA       ALA  12  -6.670  -3.287  -2.538
   86    HB1  ALA  12           HB1      ALA  12  -5.775  -1.327  -0.872
   87    HB2  ALA  12           HB2      ALA  12  -5.750  -2.709   0.223
   88    HB3  ALA  12           HB3      ALA  12  -7.251  -2.247  -0.580
   89    H    TYR  13           H        TYR  13  -4.934  -3.899  -4.141
   90    HA   TYR  13           HA       TYR  13  -2.284  -2.772  -3.855
   91    HB2  TYR  13           HB3      TYR  13  -3.782  -3.893  -6.239
   92    HB3  TYR  13           HB2      TYR  13  -2.038  -3.644  -6.152
   93    HD1  TYR  13           HD2      TYR  13  -1.623  -4.451  -3.266
   94    HD2  TYR  13           HD1      TYR  13  -3.871  -6.272  -6.440
   95    HE1  TYR  13           HE2      TYR  13  -1.354  -6.666  -2.184
   96    HE2  TYR  13           HE1      TYR  13  -3.603  -8.488  -5.359
   97    HH   TYR  13           HH       TYR  13  -3.018  -9.522  -3.407
   98    H    ASN  14           H        ASN  14  -3.998  -0.666  -3.440
   99    HA   ASN  14           HA       ASN  14  -3.966   0.876  -6.008
  100    HB2  ASN  14           HB3      ASN  14  -6.181   0.596  -5.056
  101    HB3  ASN  14           HB2      ASN  14  -5.602   1.061  -3.457
  102   HD21  ASN  14          HD22      ASN  14  -5.989   3.203  -2.930
  103   HD22  ASN  14          HD21      ASN  14  -6.193   4.465  -4.046
  104    H    CYS  15           H        CYS  15  -1.565   0.592  -4.665
  105    HA   CYS  15           HA       CYS  15  -1.185   2.973  -2.928
  106    HB2  CYS  15           HB3      CYS  15  -0.299   0.667  -2.421
  107    HB3  CYS  15           HB2      CYS  15   0.753   0.820  -3.829
  108    H    CYS  16           H        CYS  16  -0.086   4.800  -3.627
  109    HA   CYS  16           HA       CYS  16   0.228   5.380  -6.373
  110    HB2  CYS  16           HB3      CYS  16   1.538   6.537  -3.899
  111    HB3  CYS  16           HB2      CYS  16   1.535   7.320  -5.478
  112    H    THR  17           H        THR  17   2.317   3.640  -4.209
  113    HA   THR  17           HA       THR  17   4.681   3.984  -5.965
  114    HB   THR  17           HB       THR  17   4.673   3.993  -3.407
  115    HG1  THR  17           HG1      THR  17   6.252   2.038  -4.721
  116   HG21  THR  17          HG21      THR  17   4.802   1.059  -3.345
  117   HG22  THR  17          HG22      THR  17   3.199   1.685  -3.736
  118   HG23  THR  17          HG23      THR  17   3.996   2.174  -2.239
  119    H    GLY  18           H        GLY  18   1.991   1.971  -5.721
  120    HA2  GLY  18           HA3      GLY  18   1.602   0.260  -7.442
  121    HA3  GLY  18           HA2      GLY  18   3.330  -0.102  -7.404
  122    H    SER  19           H        SER  19   4.125  -1.495  -5.808
  123    HA   SER  19           HA       SER  19   2.151  -3.213  -4.489
  124    HB2  SER  19           HB3      SER  19   4.704  -3.798  -3.529
  125    HB3  SER  19           HB2      SER  19   3.931  -4.549  -4.921
  126    HG   SER  19           HG       SER  19   5.613  -2.259  -4.876
  127    H    CYS  20           H        CYS  20   1.306  -2.699  -2.507
  128    HA   CYS  20           HA       CYS  20   2.407  -0.541  -0.935
  129    HB2  CYS  20           HB3      CYS  20  -0.061  -1.506  -1.426
  130    HB3  CYS  20           HB2      CYS  20   0.300  -2.278   0.110
  131    H    ARG  21           H        ARG  21   3.200  -0.727   1.215
  132    HA   ARG  21           HA       ARG  21   4.776  -3.096   1.778
  133    HB2  ARG  21           HB3      ARG  21   4.907  -0.473   2.396
  134    HB3  ARG  21           HB2      ARG  21   4.138  -1.066   3.868
  135    HG2  ARG  21           HG3      ARG  21   5.980  -2.850   3.924
  136    HG3  ARG  21           HG2      ARG  21   6.806  -1.877   2.706
  137    HD2  ARG  21           HD3      ARG  21   6.486   0.111   4.330
  138    HD3  ARG  21           HD2      ARG  21   6.125  -1.123   5.555
  139    HE   ARG  21           HE       ARG  21   8.385  -2.161   4.608
  140   HH11  ARG  21          HH22      ARG  21   8.298  -0.059   6.896
  141   HH12  ARG  21          HH21      ARG  21   9.598   0.976   6.405
  142   HH21  ARG  21          HH11      ARG  21   9.766  -0.314   3.192
  143   HH22  ARG  21          HH12      ARG  21  10.429   0.830   4.309
  144    H    SER  22           H        SER  22   4.490  -4.388   3.791
  145    HA   SER  22           HA       SER  22   1.864  -5.423   4.120
  146    HB2  SER  22           HB3      SER  22   3.012  -6.583   6.075
  147    HB3  SER  22           HB2      SER  22   3.807  -6.771   4.515
  148    HG   SER  22           HG       SER  22   4.468  -4.616   6.195
  149    H    GLY  23           H        GLY  23   1.329  -2.805   4.509
  150    HA2  GLY  23           HA3      GLY  23  -0.174  -2.481   6.719
  151    HA3  GLY  23           HA2      GLY  23   1.430  -2.170   7.381
  152    H    LYS  24           H        LYS  24   2.111  -1.024   4.548
  153    HA   LYS  24           HA       LYS  24   0.487   1.435   4.591
  154    HB2  LYS  24           HB3      LYS  24   2.929   1.151   6.012
  155    HB3  LYS  24           HB2      LYS  24   3.217   2.257   4.680
  156    HG2  LYS  24           HG3      LYS  24   1.544   3.756   5.399
  157    HG3  LYS  24           HG2      LYS  24   0.781   2.547   6.432
  158    HD2  LYS  24           HD3      LYS  24   3.188   2.579   7.598
  159    HD3  LYS  24           HD2      LYS  24   3.204   4.215   6.939
  160    HE2  LYS  24           HE3      LYS  24   0.665   3.458   8.260
  161    HE3  LYS  24           HE2      LYS  24   2.067   3.577   9.342
  162    HZ1  LYS  24           HZ1      LYS  24   2.375   5.757   8.872
  163    HZ2  LYS  24           HZ2      LYS  24   0.705   5.706   8.578
  164    HZ3  LYS  24           HZ3      LYS  24   1.799   5.624   7.280
  165    H    CYS  25           H        CYS  25   1.857   3.095   3.073
  166    HA   CYS  25           HA       CYS  25   2.166   1.650   0.497
  167    HB2  CYS  25           HB3      CYS  25   1.028   4.102   1.463
  168    HB3  CYS  25           HB2      CYS  25   2.160   4.433   0.159
  Start of MODEL   14
    1    H1   CYS   1           H1       CYS   1  -4.652   6.245  -6.821
    2    H2   CYS   1           H2       CYS   1  -4.559   7.490  -5.668
    3    H3   CYS   1           H3       CYS   1  -5.889   6.432  -5.674
    4    HA   CYS   1           HA       CYS   1  -4.673   4.669  -4.800
    5    HB2  CYS   1           HB2      CYS   1  -2.135   4.837  -4.876
    6    HB3  CYS   1           HB3      CYS   1  -2.923   4.741  -6.452
    7    H    LYS   2           H        LYS   2  -2.753   4.814  -2.913
    8    HA   LYS   2           HA       LYS   2  -3.799   6.889  -1.061
    9    HB2  LYS   2           HB3      LYS   2  -2.035   4.448  -0.682
   10    HB3  LYS   2           HB2      LYS   2  -2.677   5.443   0.624
   11    HG2  LYS   2           HG3      LYS   2  -4.888   4.762   0.225
   12    HG3  LYS   2           HG2      LYS   2  -4.525   4.229  -1.417
   13    HD2  LYS   2           HD3      LYS   2  -2.819   2.733   0.246
   14    HD3  LYS   2           HD2      LYS   2  -4.387   2.725   1.054
   15    HE2  LYS   2           HE3      LYS   2  -4.588   2.322  -1.853
   16    HE3  LYS   2           HE2      LYS   2  -3.697   1.036  -1.016
   17    HZ1  LYS   2           HZ1      LYS   2  -5.480   0.904   0.611
   18    HZ2  LYS   2           HZ2      LYS   2  -6.086   0.620  -0.948
   19    HZ3  LYS   2           HZ3      LYS   2  -6.341   2.125  -0.200
   20    H    GLY   3           H        GLY   3  -0.602   5.584  -0.595
   21    HA2  GLY   3           HA3      GLY   3   1.213   7.153  -1.821
   22    HA3  GLY   3           HA2      GLY   3   0.511   8.311  -0.688
   23    H    THR   4           H        THR   4   3.235   6.876  -0.846
   24    HA   THR   4           HA       THR   4   3.663   5.007   1.137
   25    HB   THR   4           HB       THR   4   5.799   6.655   1.402
   26    HG1  THR   4           HG1      THR   4   5.919   8.018  -0.239
   27   HG21  THR   4          HG21      THR   4   6.259   4.567   0.529
   28   HG22  THR   4          HG22      THR   4   6.422   5.533  -0.937
   29   HG23  THR   4          HG23      THR   4   4.930   4.646  -0.626
   30    H    GLY   5           H        GLY   5   2.815   5.011   3.154
   31    HA2  GLY   5           HA3      GLY   5   3.294   6.097   5.423
   32    HA3  GLY   5           HA2      GLY   5   2.740   7.592   4.661
   33    H    LYS   6           H        LYS   6   0.766   5.900   3.074
   34    HA   LYS   6           HA       LYS   6  -1.416   6.042   5.056
   35    HB2  LYS   6           HB3      LYS   6  -1.039   5.837   2.110
   36    HB3  LYS   6           HB2      LYS   6  -2.521   5.125   2.751
   37    HG2  LYS   6           HG3      LYS   6  -1.977   7.718   3.957
   38    HG3  LYS   6           HG2      LYS   6  -2.092   7.832   2.201
   39    HD2  LYS   6           HD3      LYS   6  -4.313   7.359   2.193
   40    HD3  LYS   6           HD2      LYS   6  -4.144   6.109   3.426
   41    HE2  LYS   6           HE3      LYS   6  -4.192   7.715   5.203
   42    HE3  LYS   6           HE2      LYS   6  -3.980   9.068   4.074
   43    HZ1  LYS   6           HZ1      LYS   6  -6.244   9.069   4.268
   44    HZ2  LYS   6           HZ2      LYS   6  -6.344   7.398   4.544
   45    HZ3  LYS   6           HZ3      LYS   6  -6.077   7.983   2.971
   46    H    SER   7           H        SER   7  -2.593   4.187   5.760
   47    HA   SER   7           HA       SER   7  -1.088   1.667   5.704
   48    HB2  SER   7           HB3      SER   7  -3.802   2.280   6.892
   49    HB3  SER   7           HB2      SER   7  -2.685   1.012   7.383
   50    HG   SER   7           HG       SER   7  -1.190   2.855   7.785
   51    H    CYS   8           H        CYS   8  -1.647  -0.188   4.588
   52    HA   CYS   8           HA       CYS   8  -4.265  -0.263   3.139
   53    HB2  CYS   8           HB3      CYS   8  -2.817  -1.052   1.108
   54    HB3  CYS   8           HB2      CYS   8  -2.847   0.677   1.483
   55    H    SER   9           H        SER   9  -4.613  -2.513   2.205
   56    HA   SER   9           HA       SER   9  -3.632  -4.531   4.151
   57    HB2  SER   9           HB3      SER   9  -6.029  -3.954   2.698
   58    HB3  SER   9           HB2      SER   9  -5.482  -5.563   2.236
   59    HG   SER   9           HG       SER   9  -5.628  -6.216   4.304
   60    H    ARG  10           H        ARG  10  -3.440  -6.838   2.960
   61    HA   ARG  10           HA       ARG  10  -1.316  -6.506   0.932
   62    HB2  ARG  10           HB3      ARG  10  -0.895  -8.893   1.457
   63    HB3  ARG  10           HB2      ARG  10  -0.982  -7.934   2.935
   64    HG2  ARG  10           HG3      ARG  10  -3.635  -8.713   2.360
   65    HG3  ARG  10           HG2      ARG  10  -2.642 -10.151   2.120
   66    HD2  ARG  10           HD3      ARG  10  -1.551  -9.206   4.430
   67    HD3  ARG  10           HD2      ARG  10  -3.234  -8.676   4.625
   68    HE   ARG  10           HE       ARG  10  -2.747 -11.473   3.742
   69   HH11  ARG  10          HH22      ARG  10  -2.376 -10.238   6.706
   70   HH12  ARG  10          HH21      ARG  10  -3.785 -10.937   7.433
   71   HH21  ARG  10          HH11      ARG  10  -5.170 -11.942   4.417
   72   HH22  ARG  10          HH12      ARG  10  -5.366 -11.901   6.137
   73    H    ILE  11           H        ILE  11  -4.081  -6.009   0.304
   74    HA   ILE  11           HA       ILE  11  -4.392  -7.926  -1.969
   75    HB   ILE  11           HB       ILE  11  -6.357  -7.193   0.199
   76   HG12  ILE  11          HG13      ILE  11  -4.845  -9.243   0.265
   77   HG13  ILE  11          HG12      ILE  11  -6.572  -9.554   0.433
   78   HG21  ILE  11          HG21      ILE  11  -8.078  -8.367  -1.261
   79   HG22  ILE  11          HG22      ILE  11  -6.945  -8.186  -2.601
   80   HG23  ILE  11          HG23      ILE  11  -7.604  -6.758  -1.805
   81   HD11  ILE  11          HD11      ILE  11  -5.913  -9.541  -2.358
   82   HD12  ILE  11          HD12      ILE  11  -6.530 -10.877  -1.386
   83   HD13  ILE  11          HD13      ILE  11  -4.792 -10.613  -1.520
   84    H    ALA  12           H        ALA  12  -5.449  -4.917  -0.430
   85    HA   ALA  12           HA       ALA  12  -6.471  -3.780  -2.928
   86    HB1  ALA  12           HB1      ALA  12  -7.278  -2.157  -1.507
   87    HB2  ALA  12           HB2      ALA  12  -5.778  -2.086  -0.579
   88    HB3  ALA  12           HB3      ALA  12  -6.936  -3.384  -0.287
   89    H    TYR  13           H        TYR  13  -4.426  -4.089  -4.179
   90    HA   TYR  13           HA       TYR  13  -2.023  -2.688  -3.397
   91    HB2  TYR  13           HB3      TYR  13  -2.826  -3.687  -6.134
   92    HB3  TYR  13           HB2      TYR  13  -1.194  -3.516  -5.494
   93    HD1  TYR  13           HD1      TYR  13  -0.735  -4.851  -3.240
   94    HD2  TYR  13           HD2      TYR  13  -3.838  -5.785  -6.060
   95    HE1  TYR  13           HE1      TYR  13  -0.834  -7.168  -2.363
   96    HE2  TYR  13           HE2      TYR  13  -3.937  -8.102  -5.180
   97    HH   TYR  13           HH       TYR  13  -3.324  -9.218  -2.872
   98    H    ASN  14           H        ASN  14  -3.922  -0.764  -3.200
   99    HA   ASN  14           HA       ASN  14  -3.920   0.794  -5.736
  100    HB2  ASN  14           HB3      ASN  14  -6.045   0.495  -4.581
  101    HB3  ASN  14           HB2      ASN  14  -5.341   1.054  -3.064
  102   HD21  ASN  14          HD22      ASN  14  -6.079   3.134  -2.638
  103   HD22  ASN  14          HD21      ASN  14  -6.254   4.364  -3.795
  104    H    CYS  15           H        CYS  15  -1.401   0.580  -4.622
  105    HA   CYS  15           HA       CYS  15  -0.910   2.963  -2.926
  106    HB2  CYS  15           HB3      CYS  15   0.114   0.599  -2.711
  107    HB3  CYS  15           HB2      CYS  15   1.111   1.046  -4.095
  108    H    CYS  16           H        CYS  16  -0.064   4.862  -3.729
  109    HA   CYS  16           HA       CYS  16  -0.060   5.491  -6.477
  110    HB2  CYS  16           HB3      CYS  16   1.420   6.688  -4.118
  111    HB3  CYS  16           HB2      CYS  16   1.231   7.493  -5.676
  112    H    THR  17           H        THR  17   2.372   3.906  -4.540
  113    HA   THR  17           HA       THR  17   4.496   4.392  -6.545
  114    HB   THR  17           HB       THR  17   5.706   2.876  -4.774
  115    HG1  THR  17           HG1      THR  17   4.503   3.283  -2.718
  116   HG21  THR  17          HG21      THR  17   5.154   5.176  -3.219
  117   HG22  THR  17          HG22      THR  17   5.058   5.676  -4.907
  118   HG23  THR  17          HG23      THR  17   6.525   4.912  -4.297
  119    H    GLY  18           H        GLY  18   2.212   1.980  -5.628
  120    HA2  GLY  18           HA3      GLY  18   1.836   0.352  -7.610
  121    HA3  GLY  18           HA2      GLY  18   3.547  -0.025  -7.400
  122    H    SER  19           H        SER  19   4.156  -1.417  -5.739
  123    HA   SER  19           HA       SER  19   2.023  -3.001  -4.499
  124    HB2  SER  19           HB3      SER  19   4.112  -4.130  -3.509
  125    HB3  SER  19           HB2      SER  19   3.975  -4.139  -5.264
  126    HG   SER  19           HG       SER  19   6.043  -3.407  -4.192
  127    H    CYS  20           H        CYS  20   1.217  -2.641  -2.441
  128    HA   CYS  20           HA       CYS  20   2.226  -0.414  -0.890
  129    HB2  CYS  20           HB3      CYS  20  -0.204  -1.531  -1.386
  130    HB3  CYS  20           HB2      CYS  20   0.188  -2.189   0.194
  131    H    ARG  21           H        ARG  21   3.248  -0.567   1.139
  132    HA   ARG  21           HA       ARG  21   4.851  -2.851   1.740
  133    HB2  ARG  21           HB3      ARG  21   4.775  -0.263   2.473
  134    HB3  ARG  21           HB2      ARG  21   3.983  -0.964   3.886
  135    HG2  ARG  21           HG3      ARG  21   5.933  -2.624   3.966
  136    HG3  ARG  21           HG2      ARG  21   6.744  -1.561   2.815
  137    HD2  ARG  21           HD3      ARG  21   7.484  -0.805   4.958
  138    HD3  ARG  21           HD2      ARG  21   6.207   0.341   4.505
  139    HE   ARG  21           HE       ARG  21   4.893  -1.775   5.791
  140   HH11  ARG  21          HH22      ARG  21   7.641   0.118   6.594
  141   HH12  ARG  21          HH21      ARG  21   7.158   0.379   8.237
  142   HH21  ARG  21          HH11      ARG  21   4.125  -1.268   7.883
  143   HH22  ARG  21          HH12      ARG  21   5.164  -0.406   8.966
  144    H    SER  22           H        SER  22   4.615  -4.118   3.842
  145    HA   SER  22           HA       SER  22   2.116  -5.476   3.960
  146    HB2  SER  22           HB3      SER  22   4.189  -6.563   4.525
  147    HB3  SER  22           HB2      SER  22   4.551  -5.353   5.751
  148    HG   SER  22           HG       SER  22   3.704  -7.063   6.833
  149    H    GLY  23           H        GLY  23   1.233  -2.944   4.278
  150    HA2  GLY  23           HA3      GLY  23  -0.523  -2.685   6.224
  151    HA3  GLY  23           HA2      GLY  23   0.932  -2.449   7.191
  152    H    LYS  24           H        LYS  24   1.826  -1.183   4.331
  153    HA   LYS  24           HA       LYS  24   0.408   1.397   4.558
  154    HB2  LYS  24           HB3      LYS  24   2.851   0.810   5.901
  155    HB3  LYS  24           HB2      LYS  24   3.196   1.977   4.637
  156    HG2  LYS  24           HG3      LYS  24   2.011   3.625   5.657
  157    HG3  LYS  24           HG2      LYS  24   0.731   2.520   6.163
  158    HD2  LYS  24           HD3      LYS  24   1.661   3.001   8.225
  159    HD3  LYS  24           HD2      LYS  24   2.644   1.607   7.773
  160    HE2  LYS  24           HE3      LYS  24   3.569   4.313   6.876
  161    HE3  LYS  24           HE2      LYS  24   3.809   3.862   8.576
  162    HZ1  LYS  24           HZ1      LYS  24   4.564   1.622   7.532
  163    HZ2  LYS  24           HZ2      LYS  24   5.651   2.921   7.599
  164    HZ3  LYS  24           HZ3      LYS  24   4.847   2.563   6.147
  165    H    CYS  25           H        CYS  25   1.889   2.997   3.071
  166    HA   CYS  25           HA       CYS  25   2.122   1.574   0.463
  167    HB2  CYS  25           HB3      CYS  25   0.991   4.003   1.410
  168    HB3  CYS  25           HB2      CYS  25   2.230   4.391   0.221
  Start of MODEL   15
    1    H1   CYS   1           H1       CYS   1  -3.902   6.971  -6.573
    2    H2   CYS   1           H2       CYS   1  -4.351   7.776  -5.145
    3    H3   CYS   1           H3       CYS   1  -5.384   6.614  -5.832
    4    HA   CYS   1           HA       CYS   1  -4.197   4.853  -5.036
    5    HB2  CYS   1           HB2      CYS   1  -1.720   5.087  -4.736
    6    HB3  CYS   1           HB3      CYS   1  -2.259   5.468  -6.372
    7    H    LYS   2           H        LYS   2  -2.393   4.826  -2.900
    8    HA   LYS   2           HA       LYS   2  -4.026   6.100  -0.793
    9    HB2  LYS   2           HB3      LYS   2  -1.534   4.466  -0.348
   10    HB3  LYS   2           HB2      LYS   2  -2.984   4.550   0.641
   11    HG2  LYS   2           HG3      LYS   2  -2.798   3.268  -2.098
   12    HG3  LYS   2           HG2      LYS   2  -2.862   2.411  -0.564
   13    HD2  LYS   2           HD3      LYS   2  -5.059   3.757  -0.170
   14    HD3  LYS   2           HD2      LYS   2  -5.024   4.002  -1.918
   15    HE2  LYS   2           HE3      LYS   2  -5.937   1.944  -2.156
   16    HE3  LYS   2           HE2      LYS   2  -4.442   1.260  -1.491
   17    HZ1  LYS   2           HZ1      LYS   2  -5.900   0.597   0.116
   18    HZ2  LYS   2           HZ2      LYS   2  -6.956   1.901  -0.131
   19    HZ3  LYS   2           HZ3      LYS   2  -5.513   2.132   0.735
   20    H    GLY   3           H        GLY   3  -0.496   5.756  -1.073
   21    HA2  GLY   3           HA3      GLY   3   0.742   8.003  -1.437
   22    HA3  GLY   3           HA2      GLY   3  -0.208   8.539  -0.050
   23    H    THR   4           H        THR   4   2.752   7.215  -0.910
   24    HA   THR   4           HA       THR   4   3.470   5.266   0.873
   25    HB   THR   4           HB       THR   4   5.534   7.124   1.041
   26    HG1  THR   4           HG1      THR   4   4.465   8.580  -0.246
   27   HG21  THR   4          HG21      THR   4   6.271   5.843  -1.093
   28   HG22  THR   4          HG22      THR   4   4.760   4.955  -0.896
   29   HG23  THR   4          HG23      THR   4   5.981   4.910   0.375
   30    H    GLY   5           H        GLY   5   2.818   5.068   2.946
   31    HA2  GLY   5           HA3      GLY   5   3.487   5.912   5.255
   32    HA3  GLY   5           HA2      GLY   5   2.937   7.496   4.692
   33    H    LYS   6           H        LYS   6   0.805   5.953   3.098
   34    HA   LYS   6           HA       LYS   6  -1.280   6.094   5.159
   35    HB2  LYS   6           HB3      LYS   6  -1.121   5.482   2.201
   36    HB3  LYS   6           HB2      LYS   6  -2.632   5.284   3.090
   37    HG2  LYS   6           HG3      LYS   6  -1.423   7.813   3.762
   38    HG3  LYS   6           HG2      LYS   6  -1.592   7.671   2.012
   39    HD2  LYS   6           HD3      LYS   6  -3.789   7.294   4.067
   40    HD3  LYS   6           HD2      LYS   6  -3.635   8.636   2.933
   41    HE2  LYS   6           HE3      LYS   6  -3.551   6.043   1.577
   42    HE3  LYS   6           HE2      LYS   6  -5.068   6.299   2.459
   43    HZ1  LYS   6           HZ1      LYS   6  -5.305   7.340   0.349
   44    HZ2  LYS   6           HZ2      LYS   6  -3.804   8.118   0.484
   45    HZ3  LYS   6           HZ3      LYS   6  -5.093   8.582   1.489
   46    H    SER   7           H        SER   7  -2.691   4.196   5.585
   47    HA   SER   7           HA       SER   7  -1.080   1.694   5.710
   48    HB2  SER   7           HB3      SER   7  -3.235   1.148   7.170
   49    HB3  SER   7           HB2      SER   7  -1.955   2.180   7.801
   50    HG   SER   7           HG       SER   7  -4.522   2.772   7.294
   51    H    CYS   8           H        CYS   8  -1.632  -0.141   4.566
   52    HA   CYS   8           HA       CYS   8  -4.300  -0.222   3.199
   53    HB2  CYS   8           HB3      CYS   8  -2.858  -1.106   1.179
   54    HB3  CYS   8           HB2      CYS   8  -2.939   0.638   1.475
   55    H    SER   9           H        SER   9  -4.504  -2.517   2.111
   56    HA   SER   9           HA       SER   9  -3.569  -4.534   4.114
   57    HB2  SER   9           HB3      SER   9  -6.007  -4.152   3.773
   58    HB3  SER   9           HB2      SER   9  -5.819  -4.574   2.073
   59    HG   SER   9           HG       SER   9  -5.573  -6.627   2.601
   60    H    ARG  10           H        ARG  10  -3.589  -6.852   2.865
   61    HA   ARG  10           HA       ARG  10  -1.560  -6.586   0.728
   62    HB2  ARG  10           HB3      ARG  10  -1.050  -8.869   1.272
   63    HB3  ARG  10           HB2      ARG  10  -1.385  -8.079   2.813
   64    HG2  ARG  10           HG3      ARG  10  -3.891  -8.860   2.151
   65    HG3  ARG  10           HG2      ARG  10  -2.962 -10.134   1.359
   66    HD2  ARG  10           HD3      ARG  10  -1.945  -9.564   4.042
   67    HD3  ARG  10           HD2      ARG  10  -3.643 -10.082   4.058
   68    HE   ARG  10           HE       ARG  10  -2.885 -12.018   2.587
   69   HH11  ARG  10          HH11      ARG  10  -1.244 -10.839   5.292
   70   HH12  ARG  10          HH12      ARG  10   0.128 -11.881   5.122
   71   HH21  ARG  10          HH22      ARG  10  -0.881 -13.143   2.052
   72   HH22  ARG  10          HH21      ARG  10   0.333 -13.189   3.287
   73    H    ILE  11           H        ILE  11  -4.320  -5.933   0.266
   74    HA   ILE  11           HA       ILE  11  -4.917  -7.888  -1.924
   75    HB   ILE  11           HB       ILE  11  -6.808  -6.655   0.103
   76   HG12  ILE  11          HG13      ILE  11  -6.369  -9.590  -0.405
   77   HG13  ILE  11          HG12      ILE  11  -5.271  -8.701   0.651
   78   HG21  ILE  11          HG21      ILE  11  -7.237  -7.708  -2.572
   79   HG22  ILE  11          HG22      ILE  11  -8.384  -6.918  -1.488
   80   HG23  ILE  11          HG23      ILE  11  -8.109  -8.657  -1.367
   81   HD11  ILE  11          HD11      ILE  11  -7.222  -9.803   1.838
   82   HD12  ILE  11          HD12      ILE  11  -8.279  -8.671   0.994
   83   HD13  ILE  11          HD13      ILE  11  -7.064  -8.069   2.123
   84    H    ALA  12           H        ALA  12  -5.470  -4.666  -0.562
   85    HA   ALA  12           HA       ALA  12  -6.554  -3.577  -3.054
   86    HB1  ALA  12           HB1      ALA  12  -7.042  -1.786  -1.694
   87    HB2  ALA  12           HB2      ALA  12  -5.457  -1.820  -0.920
   88    HB3  ALA  12           HB3      ALA  12  -6.710  -2.952  -0.413
   89    H    TYR  13           H        TYR  13  -4.750  -4.111  -4.515
   90    HA   TYR  13           HA       TYR  13  -2.100  -3.055  -4.026
   91    HB2  TYR  13           HB3      TYR  13  -3.294  -3.989  -6.639
   92    HB3  TYR  13           HB2      TYR  13  -1.609  -4.085  -6.126
   93    HD1  TYR  13           HD2      TYR  13  -1.204  -5.420  -3.864
   94    HD2  TYR  13           HD1      TYR  13  -4.639  -5.878  -6.404
   95    HE1  TYR  13           HE2      TYR  13  -1.638  -7.654  -2.876
   96    HE2  TYR  13           HE1      TYR  13  -5.071  -8.111  -5.416
   97    HH   TYR  13           HH       TYR  13  -2.937  -9.865  -3.837
   98    H    ASN  14           H        ASN  14  -3.722  -0.902  -3.707
   99    HA   ASN  14           HA       ASN  14  -3.491   0.641  -6.265
  100    HB2  ASN  14           HB3      ASN  14  -5.779   0.331  -5.409
  101    HB3  ASN  14           HB2      ASN  14  -5.289   0.958  -3.835
  102   HD21  ASN  14          HD22      ASN  14  -5.795   3.130  -3.557
  103   HD22  ASN  14          HD21      ASN  14  -5.922   4.272  -4.804
  104    H    CYS  15           H        CYS  15  -1.215   0.298  -4.691
  105    HA   CYS  15           HA       CYS  15  -0.935   2.548  -2.831
  106    HB2  CYS  15           HB3      CYS  15   0.141   0.251  -2.662
  107    HB3  CYS  15           HB2      CYS  15   1.184   0.726  -4.003
  108    H    CYS  16           H        CYS  16  -0.061   4.523  -3.305
  109    HA   CYS  16           HA       CYS  16   0.070   5.662  -5.817
  110    HB2  CYS  16           HB3      CYS  16   1.709   6.148  -3.321
  111    HB3  CYS  16           HB2      CYS  16   1.731   7.246  -4.700
  112    H    THR  17           H        THR  17   2.479   3.562  -4.346
  113    HA   THR  17           HA       THR  17   4.373   4.124  -6.578
  114    HB   THR  17           HB       THR  17   5.256   4.226  -4.308
  115    HG1  THR  17           HG1      THR  17   6.074   1.709  -5.260
  116   HG21  THR  17          HG21      THR  17   3.701   1.702  -4.056
  117   HG22  THR  17          HG22      THR  17   3.958   2.989  -2.877
  118   HG23  THR  17          HG23      THR  17   5.220   1.792  -3.164
  119    H    GLY  18           H        GLY  18   2.039   1.865  -5.563
  120    HA2  GLY  18           HA3      GLY  18   1.432   0.248  -7.452
  121    HA3  GLY  18           HA2      GLY  18   3.140  -0.198  -7.436
  122    H    SER  19           H        SER  19   3.915  -1.531  -5.757
  123    HA   SER  19           HA       SER  19   1.891  -3.155  -4.396
  124    HB2  SER  19           HB3      SER  19   4.261  -3.987  -3.417
  125    HB3  SER  19           HB2      SER  19   3.709  -4.432  -5.029
  126    HG   SER  19           HG       SER  19   5.224  -2.101  -4.470
  127    H    CYS  20           H        CYS  20   1.156  -2.756  -2.312
  128    HA   CYS  20           HA       CYS  20   2.140  -0.462  -0.873
  129    HB2  CYS  20           HB3      CYS  20  -0.215  -1.832  -1.197
  130    HB3  CYS  20           HB2      CYS  20   0.292  -2.262   0.428
  131    H    ARG  21           H        ARG  21   3.282  -0.468   1.080
  132    HA   ARG  21           HA       ARG  21   5.083  -2.593   1.671
  133    HB2  ARG  21           HB3      ARG  21   4.758   0.021   2.352
  134    HB3  ARG  21           HB2      ARG  21   4.241  -0.758   3.848
  135    HG2  ARG  21           HG3      ARG  21   6.351  -2.068   3.872
  136    HG3  ARG  21           HG2      ARG  21   6.874  -1.219   2.417
  137    HD2  ARG  21           HD3      ARG  21   6.050   0.776   4.270
  138    HD3  ARG  21           HD2      ARG  21   7.106  -0.349   5.146
  139    HE   ARG  21           HE       ARG  21   8.293   0.087   2.618
  140   HH11  ARG  21          HH22      ARG  21   8.648   0.960   5.778
  141   HH12  ARG  21          HH21      ARG  21   9.388   2.499   5.485
  142   HH21  ARG  21          HH11      ARG  21   8.732   2.463   2.081
  143   HH22  ARG  21          HH12      ARG  21   9.437   3.349   3.392
  144    H    SER  22           H        SER  22   5.083  -3.548   4.035
  145    HA   SER  22           HA       SER  22   2.901  -5.344   4.306
  146    HB2  SER  22           HB3      SER  22   5.025  -5.997   5.108
  147    HB3  SER  22           HB2      SER  22   5.243  -4.491   5.995
  148    HG   SER  22           HG       SER  22   4.668  -6.258   7.353
  149    H    GLY  23           H        GLY  23   1.519  -3.008   4.257
  150    HA2  GLY  23           HA3      GLY  23  -0.415  -2.751   5.918
  151    HA3  GLY  23           HA2      GLY  23   0.845  -2.448   7.115
  152    H    LYS  24           H        LYS  24   1.846  -1.154   4.196
  153    HA   LYS  24           HA       LYS  24   0.392   1.389   4.457
  154    HB2  LYS  24           HB3      LYS  24   2.844   0.858   5.806
  155    HB3  LYS  24           HB2      LYS  24   3.164   2.046   4.557
  156    HG2  LYS  24           HG3      LYS  24   1.917   3.651   5.578
  157    HG3  LYS  24           HG2      LYS  24   0.683   2.500   6.096
  158    HD2  LYS  24           HD3      LYS  24   1.623   2.272   8.132
  159    HD3  LYS  24           HD2      LYS  24   3.228   2.033   7.438
  160    HE2  LYS  24           HE3      LYS  24   3.785   4.116   8.131
  161    HE3  LYS  24           HE2      LYS  24   2.548   4.775   7.039
  162    HZ1  LYS  24           HZ1      LYS  24   2.360   5.070   9.636
  163    HZ2  LYS  24           HZ2      LYS  24   1.661   3.529   9.536
  164    HZ3  LYS  24           HZ3      LYS  24   0.982   4.826   8.674
  165    H    CYS  25           H        CYS  25   1.942   3.049   3.033
  166    HA   CYS  25           HA       CYS  25   2.278   1.649   0.412
  167    HB2  CYS  25           HB3      CYS  25   0.891   3.968   1.328
  168    HB3  CYS  25           HB2      CYS  25   2.081   4.446   0.124
  Start of MODEL   16
    1    H1   CYS   1           H1       CYS   1  -4.784   7.403  -5.573
    2    H2   CYS   1           H2       CYS   1  -6.168   6.419  -5.533
    3    H3   CYS   1           H3       CYS   1  -5.081   6.309  -6.834
    4    HA   CYS   1           HA       CYS   1  -4.957   4.491  -5.057
    5    HB2  CYS   1           HB2      CYS   1  -2.410   4.645  -5.303
    6    HB3  CYS   1           HB3      CYS   1  -3.335   4.713  -6.804
    7    H    LYS   2           H        LYS   2  -2.934   4.300  -3.313
    8    HA   LYS   2           HA       LYS   2  -3.827   5.931  -1.047
    9    HB2  LYS   2           HB3      LYS   2  -1.645   3.846  -1.307
   10    HB3  LYS   2           HB2      LYS   2  -2.427   4.360   0.188
   11    HG2  LYS   2           HG3      LYS   2  -4.132   3.330  -2.053
   12    HG3  LYS   2           HG2      LYS   2  -3.232   2.175  -1.069
   13    HD2  LYS   2           HD3      LYS   2  -5.095   2.312   0.246
   14    HD3  LYS   2           HD2      LYS   2  -4.239   3.713   0.889
   15    HE2  LYS   2           HE3      LYS   2  -5.611   5.235  -0.219
   16    HE3  LYS   2           HE2      LYS   2  -6.012   4.085  -1.510
   17    HZ1  LYS   2           HZ1      LYS   2  -6.849   2.834   0.757
   18    HZ2  LYS   2           HZ2      LYS   2  -7.849   3.662  -0.333
   19    HZ3  LYS   2           HZ3      LYS   2  -7.264   4.454   1.051
   20    H    GLY   3           H        GLY   3  -0.510   5.192  -0.817
   21    HA2  GLY   3           HA3      GLY   3   1.053   7.044  -1.985
   22    HA3  GLY   3           HA2      GLY   3   0.179   8.053  -0.832
   23    H    THR   4           H        THR   4   3.088   6.813  -1.071
   24    HA   THR   4           HA       THR   4   3.720   5.067   0.958
   25    HB   THR   4           HB       THR   4   5.606   7.091   1.183
   26    HG1  THR   4           HG1      THR   4   4.271   8.192  -0.424
   27   HG21  THR   4          HG21      THR   4   6.724   5.731  -0.681
   28   HG22  THR   4          HG22      THR   4   5.242   4.774  -0.714
   29   HG23  THR   4          HG23      THR   4   6.220   4.834   0.752
   30    H    GLY   5           H        GLY   5   3.073   4.990   3.037
   31    HA2  GLY   5           HA3      GLY   5   3.290   6.073   5.275
   32    HA3  GLY   5           HA2      GLY   5   2.750   7.572   4.512
   33    H    LYS   6           H        LYS   6   0.869   5.783   2.847
   34    HA   LYS   6           HA       LYS   6  -1.410   5.968   4.705
   35    HB2  LYS   6           HB3      LYS   6  -0.864   5.726   1.819
   36    HB3  LYS   6           HB2      LYS   6  -2.279   4.816   2.351
   37    HG2  LYS   6           HG3      LYS   6  -1.904   7.643   3.291
   38    HG3  LYS   6           HG2      LYS   6  -2.547   7.342   1.676
   39    HD2  LYS   6           HD3      LYS   6  -3.685   5.993   4.127
   40    HD3  LYS   6           HD2      LYS   6  -4.269   7.561   3.565
   41    HE2  LYS   6           HE3      LYS   6  -4.065   5.589   1.398
   42    HE3  LYS   6           HE2      LYS   6  -5.212   5.119   2.669
   43    HZ1  LYS   6           HZ1      LYS   6  -6.197   6.612   0.974
   44    HZ2  LYS   6           HZ2      LYS   6  -5.095   7.818   1.433
   45    HZ3  LYS   6           HZ3      LYS   6  -6.250   7.257   2.546
   46    H    SER   7           H        SER   7  -2.576   4.130   5.455
   47    HA   SER   7           HA       SER   7  -1.021   1.637   5.586
   48    HB2  SER   7           HB3      SER   7  -2.592   1.078   7.307
   49    HB3  SER   7           HB2      SER   7  -2.281   2.802   7.476
   50    HG   SER   7           HG       SER   7  -4.591   1.576   7.059
   51    H    CYS   8           H        CYS   8  -1.549  -0.285   4.566
   52    HA   CYS   8           HA       CYS   8  -4.145  -0.482   3.096
   53    HB2  CYS   8           HB3      CYS   8  -2.665  -1.296   1.099
   54    HB3  CYS   8           HB2      CYS   8  -2.740   0.447   1.412
   55    H    SER   9           H        SER   9  -4.424  -2.764   2.243
   56    HA   SER   9           HA       SER   9  -3.139  -4.726   4.111
   57    HB2  SER   9           HB3      SER   9  -5.718  -4.869   2.518
   58    HB3  SER   9           HB2      SER   9  -5.195  -6.011   3.753
   59    HG   SER   9           HG       SER   9  -6.355  -4.687   4.952
   60    H    ARG  10           H        ARG  10  -3.684  -7.059   2.751
   61    HA   ARG  10           HA       ARG  10  -1.815  -6.875   0.464
   62    HB2  ARG  10           HB3      ARG  10  -3.132  -9.352   1.601
   63    HB3  ARG  10           HB2      ARG  10  -1.574  -9.230   0.781
   64    HG2  ARG  10           HG3      ARG  10  -0.793  -7.769   2.693
   65    HG3  ARG  10           HG2      ARG  10  -2.288  -8.191   3.531
   66    HD2  ARG  10           HD3      ARG  10  -0.572  -9.736   4.290
   67    HD3  ARG  10           HD2      ARG  10  -1.643 -10.643   3.202
   68    HE   ARG  10           HE       ARG  10   0.568  -9.336   1.810
   69   HH11  ARG  10          HH11      ARG  10  -0.998 -12.130   1.678
   70   HH12  ARG  10          HH12      ARG  10   0.368 -13.190   1.788
   71   HH21  ARG  10          HH22      ARG  10   2.566 -10.688   2.758
   72   HH22  ARG  10          HH21      ARG  10   2.386 -12.374   2.401
   73    H    ILE  11           H        ILE  11  -4.510  -5.830   0.359
   74    HA   ILE  11           HA       ILE  11  -5.556  -7.402  -1.964
   75    HB   ILE  11           HB       ILE  11  -7.075  -6.093   0.316
   76   HG12  ILE  11          HG13      ILE  11  -7.335  -8.977  -0.398
   77   HG13  ILE  11          HG12      ILE  11  -5.840  -8.482   0.398
   78   HG21  ILE  11          HG21      ILE  11  -8.931  -7.527  -1.007
   79   HG22  ILE  11          HG22      ILE  11  -7.886  -7.105  -2.363
   80   HG23  ILE  11          HG23      ILE  11  -8.606  -5.833  -1.375
   81   HD11  ILE  11          HD11      ILE  11  -6.882  -8.071   2.377
   82   HD12  ILE  11          HD12      ILE  11  -8.149  -9.111   1.725
   83   HD13  ILE  11          HD13      ILE  11  -8.293  -7.358   1.594
   84    H    ALA  12           H        ALA  12  -5.770  -4.297  -0.228
   85    HA   ALA  12           HA       ALA  12  -6.556  -2.824  -2.634
   86    HB1  ALA  12           HB1      ALA  12  -5.691  -1.045  -0.654
   87    HB2  ALA  12           HB2      ALA  12  -6.279  -2.439   0.251
   88    HB3  ALA  12           HB3      ALA  12  -7.346  -1.609  -0.884
   89    H    TYR  13           H        TYR  13  -4.498  -3.775  -3.753
   90    HA   TYR  13           HA       TYR  13  -1.943  -2.642  -3.004
   91    HB2  TYR  13           HB3      TYR  13  -1.294  -3.730  -5.213
   92    HB3  TYR  13           HB2      TYR  13  -2.003  -4.809  -4.014
   93    HD1  TYR  13           HD1      TYR  13  -3.043  -2.554  -6.833
   94    HD2  TYR  13           HD2      TYR  13  -3.770  -6.183  -4.655
   95    HE1  TYR  13           HE1      TYR  13  -4.845  -3.152  -8.429
   96    HE2  TYR  13           HE2      TYR  13  -5.572  -6.781  -6.250
   97    HH   TYR  13           HH       TYR  13  -6.749  -6.141  -8.013
   98    H    ASN  14           H        ASN  14  -4.396  -0.912  -3.986
   99    HA   ASN  14           HA       ASN  14  -3.360   0.378  -6.396
  100    HB2  ASN  14           HB3      ASN  14  -5.271   1.947  -5.864
  101    HB3  ASN  14           HB2      ASN  14  -5.750   0.253  -5.960
  102   HD21  ASN  14          HD22      ASN  14  -5.685   3.024  -3.899
  103   HD22  ASN  14          HD21      ASN  14  -6.216   2.254  -2.483
  104    H    CYS  15           H        CYS  15  -1.284   0.402  -4.633
  105    HA   CYS  15           HA       CYS  15  -1.237   2.811  -2.976
  106    HB2  CYS  15           HB3      CYS  15  -0.021   0.707  -2.468
  107    HB3  CYS  15           HB2      CYS  15   0.941   0.924  -3.930
  108    H    CYS  16           H        CYS  16  -0.637   4.827  -3.669
  109    HA   CYS  16           HA       CYS  16  -0.277   5.552  -6.357
  110    HB2  CYS  16           HB3      CYS  16   0.716   6.796  -3.781
  111    HB3  CYS  16           HB2      CYS  16   0.753   7.629  -5.332
  112    H    THR  17           H        THR  17   1.975   4.050  -4.206
  113    HA   THR  17           HA       THR  17   4.318   4.846  -5.833
  114    HB   THR  17           HB       THR  17   3.871   3.326  -3.260
  115    HG1  THR  17           HG1      THR  17   3.808   5.733  -3.522
  116   HG21  THR  17          HG21      THR  17   5.827   2.285  -3.700
  117   HG22  THR  17          HG22      THR  17   6.573   3.854  -3.400
  118   HG23  THR  17          HG23      THR  17   6.192   3.358  -5.050
  119    H    GLY  18           H        GLY  18   2.201   2.157  -5.318
  120    HA2  GLY  18           HA3      GLY  18   2.237   0.605  -7.390
  121    HA3  GLY  18           HA2      GLY  18   3.950   0.419  -7.010
  122    H    SER  19           H        SER  19   4.516  -1.150  -5.556
  123    HA   SER  19           HA       SER  19   2.430  -2.904  -4.484
  124    HB2  SER  19           HB3      SER  19   5.194  -3.195  -3.512
  125    HB3  SER  19           HB2      SER  19   4.187  -4.355  -4.373
  126    HG   SER  19           HG       SER  19   4.701  -3.298  -6.294
  127    H    CYS  20           H        CYS  20   1.521  -2.661  -2.441
  128    HA   CYS  20           HA       CYS  20   2.386  -0.488  -0.762
  129    HB2  CYS  20           HB3      CYS  20   0.050  -1.791  -1.356
  130    HB3  CYS  20           HB2      CYS  20   0.440  -2.372   0.254
  131    H    ARG  21           H        ARG  21   3.391  -0.634   1.252
  132    HA   ARG  21           HA       ARG  21   5.041  -2.909   1.846
  133    HB2  ARG  21           HB3      ARG  21   5.072  -0.339   2.521
  134    HB3  ARG  21           HB2      ARG  21   4.159  -0.918   3.915
  135    HG2  ARG  21           HG3      ARG  21   6.074  -2.747   4.000
  136    HG3  ARG  21           HG2      ARG  21   6.982  -1.522   3.117
  137    HD2  ARG  21           HD3      ARG  21   6.695   0.089   4.888
  138    HD3  ARG  21           HD2      ARG  21   5.520  -0.951   5.716
  139    HE   ARG  21           HE       ARG  21   8.442  -1.484   5.513
  140   HH11  ARG  21          HH22      ARG  21   7.244  -1.230   8.180
  141   HH12  ARG  21          HH21      ARG  21   6.926  -2.873   8.631
  142   HH21  ARG  21          HH11      ARG  21   7.191  -4.090   5.393
  143   HH22  ARG  21          HH12      ARG  21   6.893  -4.492   7.052
  144    H    SER  22           H        SER  22   4.810  -4.111   4.011
  145    HA   SER  22           HA       SER  22   2.327  -5.489   4.138
  146    HB2  SER  22           HB3      SER  22   4.586  -5.298   6.147
  147    HB3  SER  22           HB2      SER  22   3.388  -6.588   6.061
  148    HG   SER  22           HG       SER  22   4.192  -7.128   4.027
  149    H    GLY  23           H        GLY  23   1.407  -2.958   4.370
  150    HA2  GLY  23           HA3      GLY  23  -0.387  -2.686   6.288
  151    HA3  GLY  23           HA2      GLY  23   1.050  -2.388   7.265
  152    H    LYS  24           H        LYS  24   1.965  -1.178   4.399
  153    HA   LYS  24           HA       LYS  24   0.463   1.351   4.495
  154    HB2  LYS  24           HB3      LYS  24   2.809   0.917   6.010
  155    HB3  LYS  24           HB2      LYS  24   3.246   2.004   4.701
  156    HG2  LYS  24           HG3      LYS  24   2.022   3.709   5.551
  157    HG3  LYS  24           HG2      LYS  24   0.663   2.653   5.938
  158    HD2  LYS  24           HD3      LYS  24   1.290   3.052   8.092
  159    HD3  LYS  24           HD2      LYS  24   2.490   1.800   7.767
  160    HE2  LYS  24           HE3      LYS  24   3.621   4.175   6.752
  161    HE3  LYS  24           HE2      LYS  24   2.926   4.610   8.326
  162    HZ1  LYS  24           HZ1      LYS  24   4.553   2.170   7.864
  163    HZ2  LYS  24           HZ2      LYS  24   4.026   2.785   9.354
  164    HZ3  LYS  24           HZ3      LYS  24   5.199   3.625   8.456
  165    H    CYS  25           H        CYS  25   2.092   2.982   3.099
  166    HA   CYS  25           HA       CYS  25   2.449   1.549   0.505
  167    HB2  CYS  25           HB3      CYS  25   1.336   4.067   1.409
  168    HB3  CYS  25           HB2      CYS  25   2.433   4.274   0.050
  Start of MODEL   17
    1    H1   CYS   1           H1       CYS   1  -6.156   6.739  -5.328
    2    H2   CYS   1           H2       CYS   1  -4.984   7.022  -6.526
    3    H3   CYS   1           H3       CYS   1  -4.988   7.948  -5.102
    4    HA   CYS   1           HA       CYS   1  -4.681   5.018  -4.931
    5    HB2  CYS   1           HB2      CYS   1  -2.155   5.643  -5.023
    6    HB3  CYS   1           HB3      CYS   1  -3.036   5.523  -6.544
    7    H    LYS   2           H        LYS   2  -3.044   4.687  -3.057
    8    HA   LYS   2           HA       LYS   2  -3.972   6.247  -0.758
    9    HB2  LYS   2           HB3      LYS   2  -1.947   4.019  -1.136
   10    HB3  LYS   2           HB2      LYS   2  -2.493   4.612   0.432
   11    HG2  LYS   2           HG3      LYS   2  -4.795   3.980  -0.087
   12    HG3  LYS   2           HG2      LYS   2  -4.315   3.473  -1.708
   13    HD2  LYS   2           HD3      LYS   2  -2.574   2.007  -0.262
   14    HD3  LYS   2           HD2      LYS   2  -3.892   2.115   0.905
   15    HE2  LYS   2           HE3      LYS   2  -4.244   1.216  -1.978
   16    HE3  LYS   2           HE2      LYS   2  -4.118   0.118  -0.589
   17    HZ1  LYS   2           HZ1      LYS   2  -6.062   2.354  -0.710
   18    HZ2  LYS   2           HZ2      LYS   2  -6.017   1.081   0.409
   19    HZ3  LYS   2           HZ3      LYS   2  -6.445   0.776  -1.207
   20    H    GLY   3           H        GLY   3  -0.635   5.342  -1.570
   21    HA2  GLY   3           HA3      GLY   3   0.980   7.172  -2.209
   22    HA3  GLY   3           HA2      GLY   3   0.176   8.163  -0.990
   23    H    THR   4           H        THR   4   3.008   6.822  -1.355
   24    HA   THR   4           HA       THR   4   3.600   4.943   0.574
   25    HB   THR   4           HB       THR   4   5.498   7.077   0.795
   26    HG1  THR   4           HG1      THR   4   4.736   8.099  -0.946
   27   HG21  THR   4          HG21      THR   4   6.795   5.493  -0.712
   28   HG22  THR   4          HG22      THR   4   5.342   4.493  -0.766
   29   HG23  THR   4          HG23      THR   4   6.160   4.777   0.770
   30    H    GLY   5           H        GLY   5   3.178   4.817   2.734
   31    HA2  GLY   5           HA3      GLY   5   3.461   5.866   4.973
   32    HA3  GLY   5           HA2      GLY   5   2.901   7.382   4.255
   33    H    LYS   6           H        LYS   6   0.951   5.684   2.621
   34    HA   LYS   6           HA       LYS   6  -1.296   5.876   4.489
   35    HB2  LYS   6           HB3      LYS   6  -0.775   5.355   1.602
   36    HB3  LYS   6           HB2      LYS   6  -2.269   4.687   2.260
   37    HG2  LYS   6           HG3      LYS   6  -1.857   7.400   3.192
   38    HG3  LYS   6           HG2      LYS   6  -1.841   7.331   1.430
   39    HD2  LYS   6           HD3      LYS   6  -4.046   6.788   1.306
   40    HD3  LYS   6           HD2      LYS   6  -3.953   5.704   2.695
   41    HE2  LYS   6           HE3      LYS   6  -3.832   7.764   4.178
   42    HE3  LYS   6           HE2      LYS   6  -4.219   8.726   2.737
   43    HZ1  LYS   6           HZ1      LYS   6  -5.839   6.353   3.164
   44    HZ2  LYS   6           HZ2      LYS   6  -6.295   7.891   2.614
   45    HZ3  LYS   6           HZ3      LYS   6  -6.082   7.611   4.277
   46    H    SER   7           H        SER   7  -2.385   4.104   5.411
   47    HA   SER   7           HA       SER   7  -0.885   1.585   5.548
   48    HB2  SER   7           HB3      SER   7  -3.036   1.150   7.056
   49    HB3  SER   7           HB2      SER   7  -1.737   2.200   7.610
   50    HG   SER   7           HG       SER   7  -4.285   2.830   6.640
   51    H    CYS   8           H        CYS   8  -1.343  -0.220   4.317
   52    HA   CYS   8           HA       CYS   8  -4.107  -0.472   3.189
   53    HB2  CYS   8           HB3      CYS   8  -2.864  -1.226   1.019
   54    HB3  CYS   8           HB2      CYS   8  -2.995   0.504   1.354
   55    H    SER   9           H        SER   9  -4.341  -2.746   2.145
   56    HA   SER   9           HA       SER   9  -2.960  -4.728   3.921
   57    HB2  SER   9           HB3      SER   9  -5.643  -4.794   2.511
   58    HB3  SER   9           HB2      SER   9  -5.032  -6.035   3.602
   59    HG   SER   9           HG       SER   9  -4.762  -3.977   5.017
   60    H    ARG  10           H        ARG  10  -3.595  -7.040   2.604
   61    HA   ARG  10           HA       ARG  10  -1.866  -6.895   0.211
   62    HB2  ARG  10           HB3      ARG  10  -1.613  -9.255   0.564
   63    HB3  ARG  10           HB2      ARG  10  -1.631  -8.537   2.176
   64    HG2  ARG  10           HG3      ARG  10  -4.090  -9.012   2.301
   65    HG3  ARG  10           HG2      ARG  10  -3.961  -9.863   0.761
   66    HD2  ARG  10           HD3      ARG  10  -1.923 -11.031   2.191
   67    HD3  ARG  10           HD2      ARG  10  -3.136 -10.746   3.455
   68    HE   ARG  10           HE       ARG  10  -4.771 -11.800   1.705
   69   HH11  ARG  10          HH22      ARG  10  -2.276 -12.387  -0.044
   70   HH12  ARG  10          HH21      ARG  10  -2.062 -14.074   0.286
   71   HH21  ARG  10          HH11      ARG  10  -4.137 -14.073   3.059
   72   HH22  ARG  10          HH12      ARG  10  -3.110 -15.025   2.040
   73    H    ILE  11           H        ILE  11  -4.537  -5.842   0.166
   74    HA   ILE  11           HA       ILE  11  -5.692  -7.547  -2.015
   75    HB   ILE  11           HB       ILE  11  -7.073  -6.223   0.337
   76   HG12  ILE  11          HG13      ILE  11  -7.009  -9.103  -0.613
   77   HG13  ILE  11          HG12      ILE  11  -6.027  -8.460   0.704
   78   HG21  ILE  11          HG21      ILE  11  -8.342  -5.897  -1.782
   79   HG22  ILE  11          HG22      ILE  11  -9.181  -6.968  -0.660
   80   HG23  ILE  11          HG23      ILE  11  -8.314  -7.640  -2.042
   81   HD11  ILE  11          HD11      ILE  11  -8.130  -7.758   1.863
   82   HD12  ILE  11          HD12      ILE  11  -8.010  -9.505   1.652
   83   HD13  ILE  11          HD13      ILE  11  -9.055  -8.558   0.593
   84    H    ALA  12           H        ALA  12  -5.609  -4.363  -0.455
   85    HA   ALA  12           HA       ALA  12  -6.780  -2.991  -2.759
   86    HB1  ALA  12           HB1      ALA  12  -7.171  -1.605  -1.015
   87    HB2  ALA  12           HB2      ALA  12  -5.461  -1.176  -1.053
   88    HB3  ALA  12           HB3      ALA  12  -6.020  -2.478  -0.005
   89    H    TYR  13           H        TYR  13  -5.244  -3.666  -4.439
   90    HA   TYR  13           HA       TYR  13  -2.446  -2.917  -4.193
   91    HB2  TYR  13           HB3      TYR  13  -2.488  -3.704  -6.643
   92    HB3  TYR  13           HB2      TYR  13  -2.905  -4.896  -5.414
   93    HD1  TYR  13           HD2      TYR  13  -4.695  -2.170  -7.302
   94    HD2  TYR  13           HD1      TYR  13  -4.711  -6.244  -5.936
   95    HE1  TYR  13           HE2      TYR  13  -6.901  -2.522  -8.374
   96    HE2  TYR  13           HE1      TYR  13  -6.918  -6.595  -7.010
   97    HH   TYR  13           HH       TYR  13  -8.466  -4.015  -8.912
   98    H    ASN  14           H        ASN  14  -4.547  -0.749  -4.094
   99    HA   ASN  14           HA       ASN  14  -3.908   0.764  -6.582
  100    HB2  ASN  14           HB3      ASN  14  -5.807   2.124  -5.937
  101    HB3  ASN  14           HB2      ASN  14  -6.272   0.439  -5.703
  102   HD21  ASN  14          HD22      ASN  14  -5.937   3.480  -4.111
  103   HD22  ASN  14          HD21      ASN  14  -6.204   2.928  -2.528
  104    H    CYS  15           H        CYS  15  -1.739   0.447  -4.900
  105    HA   CYS  15           HA       CYS  15  -1.527   2.792  -3.112
  106    HB2  CYS  15           HB3      CYS  15  -0.594   0.561  -2.550
  107    HB3  CYS  15           HB2      CYS  15   0.453   0.653  -3.965
  108    H    CYS  16           H        CYS  16  -0.820   4.742  -3.884
  109    HA   CYS  16           HA       CYS  16  -0.053   5.238  -6.557
  110    HB2  CYS  16           HB3      CYS  16  -0.597   6.642  -4.199
  111    HB3  CYS  16           HB2      CYS  16   1.047   7.112  -4.628
  112    H    THR  17           H        THR  17   1.739   3.814  -4.011
  113    HA   THR  17           HA       THR  17   4.362   4.656  -5.100
  114    HB   THR  17           HB       THR  17   3.521   2.944  -2.744
  115    HG1  THR  17           HG1      THR  17   3.639   4.747  -1.628
  116   HG21  THR  17          HG21      THR  17   6.126   3.969  -2.400
  117   HG22  THR  17          HG22      THR  17   6.080   3.298  -4.030
  118   HG23  THR  17          HG23      THR  17   5.666   2.284  -2.647
  119    H    GLY  18           H        GLY  18   2.144   2.040  -5.266
  120    HA2  GLY  18           HA3      GLY  18   2.482   0.455  -7.160
  121    HA3  GLY  18           HA2      GLY  18   4.191   0.426  -6.732
  122    H    SER  19           H        SER  19   4.728  -0.510  -4.564
  123    HA   SER  19           HA       SER  19   2.955  -2.843  -4.022
  124    HB2  SER  19           HB3      SER  19   5.100  -3.531  -2.751
  125    HB3  SER  19           HB2      SER  19   5.200  -3.437  -4.506
  126    HG   SER  19           HG       SER  19   6.372  -1.874  -2.555
  127    H    CYS  20           H        CYS  20   1.850  -3.002  -2.100
  128    HA   CYS  20           HA       CYS  20   1.859  -0.785  -0.250
  129    HB2  CYS  20           HB3      CYS  20  -0.202  -1.834  -0.813
  130    HB3  CYS  20           HB2      CYS  20   0.460  -3.417  -0.432
  131    H    ARG  21           H        ARG  21   3.513  -0.638   1.237
  132    HA   ARG  21           HA       ARG  21   5.325  -2.601   2.046
  133    HB2  ARG  21           HB3      ARG  21   4.490   0.025   2.779
  134    HB3  ARG  21           HB2      ARG  21   4.636  -0.913   4.266
  135    HG2  ARG  21           HG3      ARG  21   6.911  -1.467   3.810
  136    HG3  ARG  21           HG2      ARG  21   6.786  -0.908   2.141
  137    HD2  ARG  21           HD3      ARG  21   7.756   0.989   3.029
  138    HD3  ARG  21           HD2      ARG  21   6.077   1.369   3.458
  139    HE   ARG  21           HE       ARG  21   6.616   0.917   5.711
  140   HH11  ARG  21          HH11      ARG  21   9.467   1.562   5.191
  141   HH12  ARG  21          HH12      ARG  21  10.283   0.130   5.723
  142   HH21  ARG  21          HH22      ARG  21   7.421  -1.826   5.708
  143   HH22  ARG  21          HH21      ARG  21   9.125  -1.787   6.018
  144    H    SER  22           H        SER  22   5.344  -3.343   4.534
  145    HA   SER  22           HA       SER  22   3.320  -5.313   4.869
  146    HB2  SER  22           HB3      SER  22   5.543  -5.593   5.760
  147    HB3  SER  22           HB2      SER  22   5.415  -4.100   6.686
  148    HG   SER  22           HG       SER  22   4.252  -5.104   8.149
  149    H    GLY  23           H        GLY  23   1.734  -3.184   4.546
  150    HA2  GLY  23           HA3      GLY  23  -0.293  -2.828   5.999
  151    HA3  GLY  23           HA2      GLY  23   0.838  -2.455   7.301
  152    H    LYS  24           H        LYS  24   2.097  -1.263   4.426
  153    HA   LYS  24           HA       LYS  24   0.648   1.325   4.616
  154    HB2  LYS  24           HB3      LYS  24   3.192   0.773   5.789
  155    HB3  LYS  24           HB2      LYS  24   3.438   1.883   4.454
  156    HG2  LYS  24           HG3      LYS  24   2.869   3.467   5.988
  157    HG3  LYS  24           HG2      LYS  24   1.223   2.973   5.590
  158    HD2  LYS  24           HD3      LYS  24   1.380   1.262   7.439
  159    HD3  LYS  24           HD2      LYS  24   2.917   1.994   7.902
  160    HE2  LYS  24           HE3      LYS  24   0.618   3.861   7.556
  161    HE3  LYS  24           HE2      LYS  24   0.588   2.805   8.984
  162    HZ1  LYS  24           HZ1      LYS  24   3.007   3.444   9.261
  163    HZ2  LYS  24           HZ2      LYS  24   1.870   4.650   9.622
  164    HZ3  LYS  24           HZ3      LYS  24   2.713   4.692   8.147
  165    H    CYS  25           H        CYS  25   2.119   2.862   3.008
  166    HA   CYS  25           HA       CYS  25   2.177   1.354   0.427
  167    HB2  CYS  25           HB3      CYS  25   1.044   3.826   1.369
  168    HB3  CYS  25           HB2      CYS  25   2.059   4.096  -0.046
  Start of MODEL   18
    1    H1   CYS   1           H1       CYS   1  -4.597   6.595  -6.536
    2    H2   CYS   1           H2       CYS   1  -4.771   7.583  -5.166
    3    H3   CYS   1           H3       CYS   1  -5.825   6.273  -5.411
    4    HA   CYS   1           HA       CYS   1  -4.219   4.692  -4.868
    5    HB2  CYS   1           HB2      CYS   1  -1.783   5.565  -4.730
    6    HB3  CYS   1           HB3      CYS   1  -2.492   5.385  -6.335
    7    H    LYS   2           H        LYS   2  -2.632   4.651  -2.855
    8    HA   LYS   2           HA       LYS   2  -3.996   6.103  -0.685
    9    HB2  LYS   2           HB3      LYS   2  -1.917   3.943  -0.971
   10    HB3  LYS   2           HB2      LYS   2  -2.228   4.674   0.604
   11    HG2  LYS   2           HG3      LYS   2  -4.443   3.891   0.667
   12    HG3  LYS   2           HG2      LYS   2  -4.505   3.650  -1.079
   13    HD2  LYS   2           HD3      LYS   2  -2.519   2.093   0.540
   14    HD3  LYS   2           HD2      LYS   2  -4.206   1.575   0.515
   15    HE2  LYS   2           HE3      LYS   2  -3.700   2.077  -2.161
   16    HE3  LYS   2           HE2      LYS   2  -2.175   1.366  -1.595
   17    HZ1  LYS   2           HZ1      LYS   2  -3.437  -0.506  -1.979
   18    HZ2  LYS   2           HZ2      LYS   2  -4.890   0.233  -1.514
   19    HZ3  LYS   2           HZ3      LYS   2  -3.760  -0.230  -0.334
   20    H    GLY   3           H        GLY   3  -0.528   5.528  -1.213
   21    HA2  GLY   3           HA3      GLY   3   0.888   7.586  -1.739
   22    HA3  GLY   3           HA2      GLY   3  -0.027   8.377  -0.452
   23    H    THR   4           H        THR   4   2.922   7.154  -0.953
   24    HA   THR   4           HA       THR   4   3.555   5.252   0.948
   25    HB   THR   4           HB       THR   4   5.584   7.106   1.154
   26    HG1  THR   4           HG1      THR   4   5.531   8.378  -0.542
   27   HG21  THR   4          HG21      THR   4   5.076   4.637  -0.028
   28   HG22  THR   4          HG22      THR   4   6.642   5.440   0.058
   29   HG23  THR   4          HG23      THR   4   5.624   5.644  -1.368
   30    H    GLY   5           H        GLY   5   2.865   5.139   3.000
   31    HA2  GLY   5           HA3      GLY   5   3.320   6.119   5.289
   32    HA3  GLY   5           HA2      GLY   5   2.765   7.657   4.614
   33    H    LYS   6           H        LYS   6   0.801   5.913   2.972
   34    HA   LYS   6           HA       LYS   6  -1.427   6.127   4.869
   35    HB2  LYS   6           HB3      LYS   6  -1.022   5.362   1.977
   36    HB3  LYS   6           HB2      LYS   6  -2.582   5.104   2.757
   37    HG2  LYS   6           HG3      LYS   6  -1.840   7.695   3.505
   38    HG3  LYS   6           HG2      LYS   6  -1.398   7.576   1.802
   39    HD2  LYS   6           HD3      LYS   6  -3.725   6.582   1.417
   40    HD3  LYS   6           HD2      LYS   6  -4.113   7.123   3.052
   41    HE2  LYS   6           HE3      LYS   6  -4.064   9.364   2.468
   42    HE3  LYS   6           HE2      LYS   6  -2.859   9.109   1.190
   43    HZ1  LYS   6           HZ1      LYS   6  -4.978   9.464   0.160
   44    HZ2  LYS   6           HZ2      LYS   6  -5.715   8.289   1.137
   45    HZ3  LYS   6           HZ3      LYS   6  -4.569   7.826  -0.031
   46    H    SER   7           H        SER   7  -2.648   4.299   5.612
   47    HA   SER   7           HA       SER   7  -1.048   1.828   5.885
   48    HB2  SER   7           HB3      SER   7  -3.426   1.450   7.205
   49    HB3  SER   7           HB2      SER   7  -2.009   2.222   7.910
   50    HG   SER   7           HG       SER   7  -2.864   4.188   7.488
   51    H    CYS   8           H        CYS   8  -1.444  -0.030   4.741
   52    HA   CYS   8           HA       CYS   8  -4.107  -0.387   3.418
   53    HB2  CYS   8           HB3      CYS   8  -2.758  -1.027   1.323
   54    HB3  CYS   8           HB2      CYS   8  -2.742   0.693   1.746
   55    H    SER   9           H        SER   9  -4.017  -2.712   2.311
   56    HA   SER   9           HA       SER   9  -2.593  -4.574   4.188
   57    HB2  SER   9           HB3      SER   9  -5.386  -4.249   3.364
   58    HB3  SER   9           HB2      SER   9  -4.809  -5.902   3.173
   59    HG   SER   9           HG       SER   9  -5.450  -4.581   5.413
   60    H    ARG  10           H        ARG  10  -3.049  -6.939   2.895
   61    HA   ARG  10           HA       ARG  10  -1.421  -6.635   0.444
   62    HB2  ARG  10           HB3      ARG  10  -1.020  -9.012   0.743
   63    HB3  ARG  10           HB2      ARG  10  -0.899  -8.251   2.330
   64    HG2  ARG  10           HG3      ARG  10  -3.585  -8.818   2.185
   65    HG3  ARG  10           HG2      ARG  10  -2.878 -10.188   1.326
   66    HD2  ARG  10           HD3      ARG  10  -2.352 -11.098   3.334
   67    HD3  ARG  10           HD2      ARG  10  -1.246  -9.736   3.614
   68    HE   ARG  10           HE       ARG  10  -3.592  -8.566   4.239
   69   HH11  ARG  10          HH22      ARG  10  -1.655 -10.014   6.228
   70   HH12  ARG  10          HH21      ARG  10  -2.811 -10.888   7.177
   71   HH21  ARG  10          HH11      ARG  10  -5.409 -10.418   4.926
   72   HH22  ARG  10          HH12      ARG  10  -4.938 -11.116   6.439
   73    H    ILE  11           H        ILE  11  -4.177  -5.824   0.505
   74    HA   ILE  11           HA       ILE  11  -5.327  -7.709  -1.532
   75    HB   ILE  11           HB       ILE  11  -6.668  -6.088   0.651
   76   HG12  ILE  11          HG13      ILE  11  -7.122  -8.990   0.403
   77   HG13  ILE  11          HG12      ILE  11  -5.463  -8.548   0.804
   78   HG21  ILE  11          HG21      ILE  11  -8.500  -6.118  -0.663
   79   HG22  ILE  11          HG22      ILE  11  -8.487  -7.877  -0.547
   80   HG23  ILE  11          HG23      ILE  11  -7.662  -7.075  -1.884
   81   HD11  ILE  11          HD11      ILE  11  -6.272  -7.184   2.690
   82   HD12  ILE  11          HD12      ILE  11  -6.820  -8.853   2.849
   83   HD13  ILE  11          HD13      ILE  11  -7.936  -7.609   2.288
   84    H    ALA  12           H        ALA  12  -5.426  -4.373  -0.308
   85    HA   ALA  12           HA       ALA  12  -6.555  -3.319  -2.791
   86    HB1  ALA  12           HB1      ALA  12  -6.624  -2.550  -0.236
   87    HB2  ALA  12           HB2      ALA  12  -6.742  -1.373  -1.545
   88    HB3  ALA  12           HB3      ALA  12  -5.201  -1.629  -0.725
   89    H    TYR  13           H        TYR  13  -4.889  -4.047  -4.327
   90    HA   TYR  13           HA       TYR  13  -2.154  -3.120  -4.071
   91    HB2  TYR  13           HB3      TYR  13  -3.721  -4.288  -6.388
   92    HB3  TYR  13           HB2      TYR  13  -1.964  -4.152  -6.313
   93    HD1  TYR  13           HD1      TYR  13  -1.452  -4.852  -3.475
   94    HD2  TYR  13           HD2      TYR  13  -4.118  -6.616  -6.342
   95    HE1  TYR  13           HE1      TYR  13  -1.337  -7.009  -2.256
   96    HE2  TYR  13           HE2      TYR  13  -4.003  -8.772  -5.124
   97    HH   TYR  13           HH       TYR  13  -2.777  -9.933  -3.559
   98    H    ASN  14           H        ASN  14  -3.742  -0.861  -3.833
   99    HA   ASN  14           HA       ASN  14  -3.400   0.475  -6.493
  100    HB2  ASN  14           HB3      ASN  14  -5.304   1.879  -5.817
  101    HB3  ASN  14           HB2      ASN  14  -5.749   0.175  -5.712
  102   HD21  ASN  14          HD22      ASN  14  -5.581   3.105  -3.931
  103   HD22  ASN  14          HD21      ASN  14  -5.861   2.451  -2.389
  104    H    CYS  15           H        CYS  15  -1.243   0.277  -4.718
  105    HA   CYS  15           HA       CYS  15  -1.084   2.710  -3.071
  106    HB2  CYS  15           HB3      CYS  15   0.028   0.521  -2.548
  107    HB3  CYS  15           HB2      CYS  15   1.055   0.752  -3.961
  108    H    CYS  16           H        CYS  16  -0.407   4.679  -3.831
  109    HA   CYS  16           HA       CYS  16   0.004   5.279  -6.537
  110    HB2  CYS  16           HB3      CYS  16  -0.118   6.584  -4.077
  111    HB3  CYS  16           HB2      CYS  16   1.472   7.010  -4.710
  112    H    THR  17           H        THR  17   2.199   3.821  -4.293
  113    HA   THR  17           HA       THR  17   4.581   4.533  -5.920
  114    HB   THR  17           HB       THR  17   4.769   2.666  -3.627
  115    HG1  THR  17           HG1      THR  17   4.387   4.425  -2.170
  116   HG21  THR  17          HG21      THR  17   6.331   4.677  -4.975
  117   HG22  THR  17          HG22      THR  17   6.855   3.483  -3.789
  118   HG23  THR  17          HG23      THR  17   6.244   5.049  -3.253
  119    H    GLY  18           H        GLY  18   2.234   2.114  -5.717
  120    HA2  GLY  18           HA3      GLY  18   2.377   0.459  -7.651
  121    HA3  GLY  18           HA2      GLY  18   4.016   0.133  -7.081
  122    H    SER  19           H        SER  19   4.261  -1.454  -5.562
  123    HA   SER  19           HA       SER  19   1.853  -2.845  -4.577
  124    HB2  SER  19           HB3      SER  19   4.055  -4.034  -3.435
  125    HB3  SER  19           HB2      SER  19   3.426  -4.442  -5.029
  126    HG   SER  19           HG       SER  19   5.414  -3.877  -5.550
  127    H    CYS  20           H        CYS  20   0.996  -2.445  -2.532
  128    HA   CYS  20           HA       CYS  20   2.183  -0.420  -0.865
  129    HB2  CYS  20           HB3      CYS  20  -0.318  -1.311  -1.389
  130    HB3  CYS  20           HB2      CYS  20   0.027  -2.123   0.130
  131    H    ARG  21           H        ARG  21   3.256  -0.712   1.103
  132    HA   ARG  21           HA       ARG  21   4.622  -3.177   1.617
  133    HB2  ARG  21           HB3      ARG  21   4.887  -0.595   2.355
  134    HB3  ARG  21           HB2      ARG  21   4.095  -1.214   3.804
  135    HG2  ARG  21           HG3      ARG  21   5.847  -3.102   3.742
  136    HG3  ARG  21           HG2      ARG  21   6.719  -2.086   2.592
  137    HD2  ARG  21           HD3      ARG  21   5.976  -0.369   4.716
  138    HD3  ARG  21           HD2      ARG  21   6.614  -1.844   5.470
  139    HE   ARG  21           HE       ARG  21   8.113  -0.542   3.236
  140   HH11  ARG  21          HH22      ARG  21   9.122  -2.997   4.682
  141   HH12  ARG  21          HH21      ARG  21  10.245  -2.303   5.803
  142   HH21  ARG  21          HH11      ARG  21   9.011   0.917   5.460
  143   HH22  ARG  21          HH12      ARG  21  10.180  -0.091   6.246
  144    H    SER  22           H        SER  22   4.304  -4.506   3.628
  145    HA   SER  22           HA       SER  22   1.625  -5.436   3.912
  146    HB2  SER  22           HB3      SER  22   3.704  -6.760   4.235
  147    HB3  SER  22           HB2      SER  22   4.061  -5.815   5.676
  148    HG   SER  22           HG       SER  22   1.731  -6.554   6.192
  149    H    GLY  23           H        GLY  23   1.231  -2.805   4.395
  150    HA2  GLY  23           HA3      GLY  23  -0.225  -2.487   6.652
  151    HA3  GLY  23           HA2      GLY  23   1.406  -2.250   7.277
  152    H    LYS  24           H        LYS  24   1.990  -1.093   4.392
  153    HA   LYS  24           HA       LYS  24   0.490   1.431   4.519
  154    HB2  LYS  24           HB3      LYS  24   2.948   1.031   5.890
  155    HB3  LYS  24           HB2      LYS  24   3.243   2.157   4.578
  156    HG2  LYS  24           HG3      LYS  24   1.584   3.670   5.356
  157    HG3  LYS  24           HG2      LYS  24   0.891   2.471   6.448
  158    HD2  LYS  24           HD3      LYS  24   3.721   2.887   6.986
  159    HD3  LYS  24           HD2      LYS  24   2.811   4.394   7.110
  160    HE2  LYS  24           HE3      LYS  24   1.843   3.729   9.053
  161    HE3  LYS  24           HE2      LYS  24   1.382   2.164   8.352
  162    HZ1  LYS  24           HZ1      LYS  24   3.035   1.890  10.116
  163    HZ2  LYS  24           HZ2      LYS  24   4.111   2.899   9.277
  164    HZ3  LYS  24           HZ3      LYS  24   3.656   1.404   8.611
  165    H    CYS  25           H        CYS  25   1.894   3.051   2.976
  166    HA   CYS  25           HA       CYS  25   2.141   1.580   0.400
  167    HB2  CYS  25           HB3      CYS  25   1.036   4.036   1.328
  168    HB3  CYS  25           HB2      CYS  25   2.247   4.386   0.102
  Start of MODEL   19
    1    H1   CYS   1           H1       CYS   1  -4.302   6.520  -6.779
    2    H2   CYS   1           H2       CYS   1  -4.506   7.542  -5.438
    3    H3   CYS   1           H3       CYS   1  -5.723   6.433  -5.857
    4    HA   CYS   1           HA       CYS   1  -4.624   4.647  -4.968
    5    HB2  CYS   1           HB2      CYS   1  -2.074   4.766  -4.838
    6    HB3  CYS   1           HB3      CYS   1  -2.754   4.819  -6.467
    7    H    LYS   2           H        LYS   2  -2.933   4.489  -2.933
    8    HA   LYS   2           HA       LYS   2  -4.082   6.241  -0.885
    9    HB2  LYS   2           HB3      LYS   2  -2.024   4.016  -0.937
   10    HB3  LYS   2           HB2      LYS   2  -2.522   4.821   0.552
   11    HG2  LYS   2           HG3      LYS   2  -4.741   4.027   0.379
   12    HG3  LYS   2           HG2      LYS   2  -4.556   3.627  -1.330
   13    HD2  LYS   2           HD3      LYS   2  -2.741   2.265   0.610
   14    HD3  LYS   2           HD2      LYS   2  -4.425   1.744   0.561
   15    HE2  LYS   2           HE3      LYS   2  -3.434   2.062  -2.139
   16    HE3  LYS   2           HE2      LYS   2  -2.373   0.972  -1.222
   17    HZ1  LYS   2           HZ1      LYS   2  -4.509   0.008  -2.266
   18    HZ2  LYS   2           HZ2      LYS   2  -5.304   0.763  -0.971
   19    HZ3  LYS   2           HZ3      LYS   2  -4.120  -0.417  -0.669
   20    H    GLY   3           H        GLY   3  -0.705   5.445  -0.616
   21    HA2  GLY   3           HA3      GLY   3   0.781   7.422  -1.699
   22    HA3  GLY   3           HA2      GLY   3  -0.050   8.314  -0.423
   23    H    THR   4           H        THR   4   2.831   6.982  -0.981
   24    HA   THR   4           HA       THR   4   3.536   5.158   0.954
   25    HB   THR   4           HB       THR   4   5.558   7.039   1.044
   26    HG1  THR   4           HG1      THR   4   5.359   8.326  -0.599
   27   HG21  THR   4          HG21      THR   4   5.334   5.369  -1.401
   28   HG22  THR   4          HG22      THR   4   5.210   4.523   0.140
   29   HG23  THR   4          HG23      THR   4   6.648   5.473  -0.230
   30    H    GLY   5           H        GLY   5   2.905   5.104   3.038
   31    HA2  GLY   5           HA3      GLY   5   3.456   6.152   5.283
   32    HA3  GLY   5           HA2      GLY   5   2.868   7.666   4.584
   33    H    LYS   6           H        LYS   6   0.836   5.972   3.066
   34    HA   LYS   6           HA       LYS   6  -1.320   6.170   5.039
   35    HB2  LYS   6           HB3      LYS   6  -1.384   6.731   2.550
   36    HB3  LYS   6           HB2      LYS   6  -1.310   4.996   2.242
   37    HG2  LYS   6           HG3      LYS   6  -3.621   5.527   2.202
   38    HG3  LYS   6           HG2      LYS   6  -3.346   4.794   3.784
   39    HD2  LYS   6           HD3      LYS   6  -2.844   7.362   4.418
   40    HD3  LYS   6           HD2      LYS   6  -3.975   7.621   3.088
   41    HE2  LYS   6           HE3      LYS   6  -4.554   5.734   5.394
   42    HE3  LYS   6           HE2      LYS   6  -5.084   7.428   5.362
   43    HZ1  LYS   6           HZ1      LYS   6  -5.730   5.302   3.393
   44    HZ2  LYS   6           HZ2      LYS   6  -6.030   6.948   3.117
   45    HZ3  LYS   6           HZ3      LYS   6  -6.814   6.146   4.393
   46    H    SER   7           H        SER   7  -2.713   4.229   5.488
   47    HA   SER   7           HA       SER   7  -1.025   1.800   5.837
   48    HB2  SER   7           HB3      SER   7  -3.416   1.397   7.142
   49    HB3  SER   7           HB2      SER   7  -1.989   2.127   7.869
   50    HG   SER   7           HG       SER   7  -3.882   3.431   8.070
   51    H    CYS   8           H        CYS   8  -1.484  -0.117   4.773
   52    HA   CYS   8           HA       CYS   8  -4.122  -0.403   3.392
   53    HB2  CYS   8           HB3      CYS   8  -2.738  -1.073   1.313
   54    HB3  CYS   8           HB2      CYS   8  -2.768   0.651   1.721
   55    H    SER   9           H        SER   9  -3.767  -2.697   2.047
   56    HA   SER   9           HA       SER   9  -2.518  -4.639   3.962
   57    HB2  SER   9           HB3      SER   9  -4.663  -6.009   3.201
   58    HB3  SER   9           HB2      SER   9  -4.775  -4.830   4.506
   59    HG   SER   9           HG       SER   9  -6.223  -3.933   3.277
   60    H    ARG  10           H        ARG  10  -3.005  -6.958   2.616
   61    HA   ARG  10           HA       ARG  10  -1.414  -6.613   0.145
   62    HB2  ARG  10           HB3      ARG  10  -0.945  -8.954   0.415
   63    HB3  ARG  10           HB2      ARG  10  -0.922  -8.274   2.042
   64    HG2  ARG  10           HG3      ARG  10  -2.475  -9.801   2.615
   65    HG3  ARG  10           HG2      ARG  10  -3.608  -8.938   1.574
   66    HD2  ARG  10           HD3      ARG  10  -3.570 -10.593   0.018
   67    HD3  ARG  10           HD2      ARG  10  -1.797 -10.682   0.058
   68    HE   ARG  10           HE       ARG  10  -2.568 -11.761   2.494
   69   HH11  ARG  10          HH11      ARG  10  -4.443 -12.249  -0.237
   70   HH12  ARG  10          HH12      ARG  10  -4.259 -13.972  -0.277
   71   HH21  ARG  10          HH22      ARG  10  -1.838 -14.037   2.204
   72   HH22  ARG  10          HH21      ARG  10  -2.783 -14.983   1.104
   73    H    ILE  11           H        ILE  11  -4.158  -5.791   0.274
   74    HA   ILE  11           HA       ILE  11  -5.349  -7.612  -1.797
   75    HB   ILE  11           HB       ILE  11  -6.647  -6.107   0.493
   76   HG12  ILE  11          HG13      ILE  11  -7.066  -9.001   0.145
   77   HG13  ILE  11          HG12      ILE  11  -5.396  -8.553   0.492
   78   HG21  ILE  11          HG21      ILE  11  -8.387  -7.953  -0.860
   79   HG22  ILE  11          HG22      ILE  11  -7.722  -6.821  -2.036
   80   HG23  ILE  11          HG23      ILE  11  -8.594  -6.218  -0.626
   81   HD11  ILE  11          HD11      ILE  11  -6.596  -8.937   2.593
   82   HD12  ILE  11          HD12      ILE  11  -7.829  -7.765   2.123
   83   HD13  ILE  11          HD13      ILE  11  -6.180  -7.229   2.445
   84    H    ALA  12           H        ALA  12  -5.447  -4.341  -0.411
   85    HA   ALA  12           HA       ALA  12  -6.617  -3.169  -2.823
   86    HB1  ALA  12           HB1      ALA  12  -5.336  -1.996  -0.329
   87    HB2  ALA  12           HB2      ALA  12  -7.056  -2.315  -0.557
   88    HB3  ALA  12           HB3      ALA  12  -6.255  -1.072  -1.517
   89    H    TYR  13           H        TYR  13  -4.936  -3.902  -4.368
   90    HA   TYR  13           HA       TYR  13  -2.207  -2.979  -4.091
   91    HB2  TYR  13           HB3      TYR  13  -3.834  -4.228  -6.312
   92    HB3  TYR  13           HB2      TYR  13  -2.103  -3.912  -6.443
   93    HD1  TYR  13           HD2      TYR  13  -0.829  -4.663  -4.086
   94    HD2  TYR  13           HD1      TYR  13  -4.347  -6.432  -5.803
   95    HE1  TYR  13           HE2      TYR  13  -0.353  -6.778  -2.882
   96    HE2  TYR  13           HE1      TYR  13  -3.873  -8.547  -4.598
   97    HH   TYR  13           HH       TYR  13  -2.596  -9.205  -2.476
   98    H    ASN  14           H        ASN  14  -3.983  -0.738  -3.929
   99    HA   ASN  14           HA       ASN  14  -3.479   0.616  -6.553
  100    HB2  ASN  14           HB3      ASN  14  -5.391   2.064  -5.873
  101    HB3  ASN  14           HB2      ASN  14  -5.854   0.362  -5.935
  102   HD21  ASN  14          HD22      ASN  14  -5.449   3.119  -3.818
  103   HD22  ASN  14          HD21      ASN  14  -5.963   2.349  -2.395
  104    H    CYS  15           H        CYS  15  -1.394   0.404  -4.727
  105    HA   CYS  15           HA       CYS  15  -1.277   2.800  -3.028
  106    HB2  CYS  15           HB3      CYS  15  -0.240   0.619  -2.448
  107    HB3  CYS  15           HB2      CYS  15   0.813   0.759  -3.856
  108    H    CYS  16           H        CYS  16  -0.249   4.719  -3.562
  109    HA   CYS  16           HA       CYS  16   0.135   5.530  -6.215
  110    HB2  CYS  16           HB3      CYS  16   1.419   6.481  -3.639
  111    HB3  CYS  16           HB2      CYS  16   1.376   7.411  -5.138
  112    H    THR  17           H        THR  17   2.232   3.633  -4.193
  113    HA   THR  17           HA       THR  17   4.571   4.128  -5.970
  114    HB   THR  17           HB       THR  17   4.608   4.150  -3.400
  115    HG1  THR  17           HG1      THR  17   6.464   3.873  -4.762
  116   HG21  THR  17          HG21      THR  17   4.017   2.305  -2.247
  117   HG22  THR  17          HG22      THR  17   4.987   1.262  -3.285
  118   HG23  THR  17          HG23      THR  17   3.344   1.693  -3.756
  119    H    GLY  18           H        GLY  18   1.990   1.983  -5.609
  120    HA2  GLY  18           HA3      GLY  18   1.699   0.280  -7.401
  121    HA3  GLY  18           HA2      GLY  18   3.419  -0.081  -7.238
  122    H    SER  19           H        SER  19   4.075  -1.517  -5.639
  123    HA   SER  19           HA       SER  19   1.983  -3.128  -4.366
  124    HB2  SER  19           HB3      SER  19   4.713  -3.573  -3.461
  125    HB3  SER  19           HB2      SER  19   3.661  -4.647  -4.379
  126    HG   SER  19           HG       SER  19   4.316  -3.648  -6.255
  127    H    CYS  20           H        CYS  20   1.136  -2.613  -2.371
  128    HA   CYS  20           HA       CYS  20   2.240  -0.466  -0.804
  129    HB2  CYS  20           HB3      CYS  20  -0.210  -1.550  -1.265
  130    HB3  CYS  20           HB2      CYS  20   0.194  -2.215   0.309
  131    H    ARG  21           H        ARG  21   3.304  -0.637   1.199
  132    HA   ARG  21           HA       ARG  21   4.845  -2.990   1.750
  133    HB2  ARG  21           HB3      ARG  21   4.985  -0.400   2.412
  134    HB3  ARG  21           HB2      ARG  21   4.193  -0.988   3.874
  135    HG2  ARG  21           HG3      ARG  21   6.489  -2.602   2.913
  136    HG3  ARG  21           HG2      ARG  21   6.883  -1.002   3.544
  137    HD2  ARG  21           HD3      ARG  21   6.240  -1.542   5.693
  138    HD3  ARG  21           HD2      ARG  21   4.965  -2.649   5.140
  139    HE   ARG  21           HE       ARG  21   7.011  -4.096   4.348
  140   HH11  ARG  21          HH22      ARG  21   6.100  -3.191   7.407
  141   HH12  ARG  21          HH21      ARG  21   7.598  -3.585   8.181
  142   HH21  ARG  21          HH11      ARG  21   9.302  -4.113   5.208
  143   HH22  ARG  21          HH12      ARG  21   9.411  -4.106   6.937
  144    H    SER  22           H        SER  22   4.687  -4.151   3.922
  145    HA   SER  22           HA       SER  22   2.167  -5.432   4.217
  146    HB2  SER  22           HB3      SER  22   4.861  -5.636   5.135
  147    HB3  SER  22           HB2      SER  22   3.803  -5.731   6.540
  148    HG   SER  22           HG       SER  22   2.571  -7.226   4.985
  149    H    GLY  23           H        GLY  23   1.369  -2.856   4.469
  150    HA2  GLY  23           HA3      GLY  23  -0.290  -2.505   6.497
  151    HA3  GLY  23           HA2      GLY  23   1.219  -2.233   7.366
  152    H    LYS  24           H        LYS  24   1.999  -1.094   4.436
  153    HA   LYS  24           HA       LYS  24   0.559   1.470   4.603
  154    HB2  LYS  24           HB3      LYS  24   3.039   0.991   5.897
  155    HB3  LYS  24           HB2      LYS  24   3.340   2.096   4.569
  156    HG2  LYS  24           HG3      LYS  24   1.946   3.739   5.431
  157    HG3  LYS  24           HG2      LYS  24   0.966   2.580   6.329
  158    HD2  LYS  24           HD3      LYS  24   3.825   2.774   7.117
  159    HD3  LYS  24           HD2      LYS  24   2.805   4.158   7.517
  160    HE2  LYS  24           HE3      LYS  24   1.309   2.805   8.812
  161    HE3  LYS  24           HE2      LYS  24   2.024   1.304   8.190
  162    HZ1  LYS  24           HZ1      LYS  24   2.822   2.255  10.460
  163    HZ2  LYS  24           HZ2      LYS  24   3.747   3.298   9.495
  164    HZ3  LYS  24           HZ3      LYS  24   3.954   1.616   9.368
  165    H    CYS  25           H        CYS  25   1.902   3.060   3.036
  166    HA   CYS  25           HA       CYS  25   2.072   1.609   0.443
  167    HB2  CYS  25           HB3      CYS  25   0.965   4.043   1.427
  168    HB3  CYS  25           HB2      CYS  25   2.118   4.413   0.151
  Start of MODEL   20
    1    H1   CYS   1           H1       CYS   1  -4.626   5.936  -7.116
    2    H2   CYS   1           H2       CYS   1  -4.501   7.345  -6.173
    3    H3   CYS   1           H3       CYS   1  -5.731   6.215  -5.859
    4    HA   CYS   1           HA       CYS   1  -4.184   4.606  -5.065
    5    HB2  CYS   1           HB2      CYS   1  -1.723   5.824  -5.063
    6    HB3  CYS   1           HB3      CYS   1  -2.233   4.606  -6.223
    7    H    LYS   2           H        LYS   2  -3.058   4.747  -2.937
    8    HA   LYS   2           HA       LYS   2  -4.143   6.932  -1.320
    9    HB2  LYS   2           HB3      LYS   2  -2.317   4.580  -0.729
   10    HB3  LYS   2           HB2      LYS   2  -3.093   5.584   0.496
   11    HG2  LYS   2           HG3      LYS   2  -5.223   4.772   0.002
   12    HG3  LYS   2           HG2      LYS   2  -4.771   4.301  -1.637
   13    HD2  LYS   2           HD3      LYS   2  -3.073   2.776  -0.069
   14    HD3  LYS   2           HD2      LYS   2  -4.575   2.773   0.855
   15    HE2  LYS   2           HE3      LYS   2  -4.522   2.197  -2.116
   16    HE3  LYS   2           HE2      LYS   2  -4.370   0.917  -0.895
   17    HZ1  LYS   2           HZ1      LYS   2  -6.409   1.671   0.131
   18    HZ2  LYS   2           HZ2      LYS   2  -6.701   1.319  -1.503
   19    HZ3  LYS   2           HZ3      LYS   2  -6.554   2.934  -0.996
   20    H    GLY   3           H        GLY   3  -0.849   5.616  -1.209
   21    HA2  GLY   3           HA3      GLY   3   0.884   7.365  -2.171
   22    HA3  GLY   3           HA2      GLY   3   0.190   8.383  -0.908
   23    H    THR   4           H        THR   4   2.870   6.722  -1.418
   24    HA   THR   4           HA       THR   4   3.358   4.787   0.463
   25    HB   THR   4           HB       THR   4   5.363   6.916   0.583
   26    HG1  THR   4           HG1      THR   4   5.254   7.562  -1.394
   27   HG21  THR   4          HG21      THR   4   6.402   4.923  -0.937
   28   HG22  THR   4          HG22      THR   4   5.106   4.050  -0.121
   29   HG23  THR   4          HG23      THR   4   6.346   4.873   0.826
   30    H    GLY   5           H        GLY   5   2.787   4.669   2.585
   31    HA2  GLY   5           HA3      GLY   5   3.335   5.650   4.853
   32    HA3  GLY   5           HA2      GLY   5   2.812   7.199   4.184
   33    H    LYS   6           H        LYS   6   0.705   5.567   2.631
   34    HA   LYS   6           HA       LYS   6  -1.426   5.867   4.620
   35    HB2  LYS   6           HB3      LYS   6  -1.069   5.606   1.749
   36    HB3  LYS   6           HB2      LYS   6  -2.365   4.553   2.318
   37    HG2  LYS   6           HG3      LYS   6  -2.292   7.344   3.376
   38    HG3  LYS   6           HG2      LYS   6  -2.821   7.117   1.708
   39    HD2  LYS   6           HD3      LYS   6  -3.986   5.208   3.635
   40    HD3  LYS   6           HD2      LYS   6  -4.465   6.887   3.884
   41    HE2  LYS   6           HE3      LYS   6  -4.592   6.468   1.090
   42    HE3  LYS   6           HE2      LYS   6  -5.359   5.053   1.838
   43    HZ1  LYS   6           HZ1      LYS   6  -5.906   7.691   2.982
   44    HZ2  LYS   6           HZ2      LYS   6  -6.908   6.325   2.894
   45    HZ3  LYS   6           HZ3      LYS   6  -6.672   7.294   1.518
   46    H    SER   7           H        SER   7  -2.586   4.138   5.559
   47    HA   SER   7           HA       SER   7  -1.132   1.605   5.789
   48    HB2  SER   7           HB3      SER   7  -3.258   1.197   7.272
   49    HB3  SER   7           HB2      SER   7  -2.074   2.398   7.778
   50    HG   SER   7           HG       SER   7  -4.452   2.964   7.652
   51    H    CYS   8           H        CYS   8  -1.431  -0.061   4.379
   52    HA   CYS   8           HA       CYS   8  -4.200  -0.626   3.417
   53    HB2  CYS   8           HB3      CYS   8  -3.132  -1.042   1.112
   54    HB3  CYS   8           HB2      CYS   8  -3.295   0.648   1.596
   55    H    SER   9           H        SER   9  -4.180  -2.901   2.328
   56    HA   SER   9           HA       SER   9  -2.310  -4.659   3.888
   57    HB2  SER   9           HB3      SER   9  -4.372  -6.258   3.226
   58    HB3  SER   9           HB2      SER   9  -4.403  -5.221   4.650
   59    HG   SER   9           HG       SER   9  -6.008  -5.168   2.553
   60    H    ARG  10           H        ARG  10  -2.759  -7.036   2.566
   61    HA   ARG  10           HA       ARG  10  -1.272  -6.617   0.056
   62    HB2  ARG  10           HB3      ARG  10  -2.192  -9.254   1.195
   63    HB3  ARG  10           HB2      ARG  10  -0.729  -8.914   0.270
   64    HG2  ARG  10           HG3      ARG  10  -0.025  -7.424   2.235
   65    HG3  ARG  10           HG2      ARG  10  -1.325  -8.200   3.143
   66    HD2  ARG  10           HD3      ARG  10   0.725  -9.864   1.670
   67    HD3  ARG  10           HD2      ARG  10   1.034  -9.274   3.315
   68    HE   ARG  10           HE       ARG  10  -1.525 -10.699   2.760
   69   HH11  ARG  10          HH11      ARG  10   1.705 -10.942   3.851
   70   HH12  ARG  10          HH12      ARG  10   1.334 -11.994   5.176
   71   HH21  ARG  10          HH22      ARG  10  -2.094 -11.862   4.666
   72   HH22  ARG  10          HH21      ARG  10  -0.816 -12.515   5.638
   73    H    ILE  11           H        ILE  11  -4.102  -5.913   0.362
   74    HA   ILE  11           HA       ILE  11  -5.220  -7.548  -1.885
   75    HB   ILE  11           HB       ILE  11  -6.610  -6.356   0.539
   76   HG12  ILE  11          HG13      ILE  11  -6.535  -9.271  -0.192
   77   HG13  ILE  11          HG12      ILE  11  -5.156  -8.553   0.642
   78   HG21  ILE  11          HG21      ILE  11  -7.604  -7.035  -2.057
   79   HG22  ILE  11          HG22      ILE  11  -8.516  -6.496  -0.647
   80   HG23  ILE  11          HG23      ILE  11  -8.224  -8.217  -0.903
   81   HD11  ILE  11          HD11      ILE  11  -7.777  -9.265   1.697
   82   HD12  ILE  11          HD12      ILE  11  -7.374  -7.582   2.033
   83   HD13  ILE  11          HD13      ILE  11  -6.293  -8.870   2.564
   84    H    ALA  12           H        ALA  12  -5.822  -4.522  -0.096
   85    HA   ALA  12           HA       ALA  12  -6.679  -3.139  -2.538
   86    HB1  ALA  12           HB1      ALA  12  -6.028  -1.636  -0.063
   87    HB2  ALA  12           HB2      ALA  12  -7.219  -2.923   0.133
   88    HB3  ALA  12           HB3      ALA  12  -7.507  -1.623  -1.024
   89    H    TYR  13           H        TYR  13  -4.345  -3.853  -3.360
   90    HA   TYR  13           HA       TYR  13  -2.117  -2.260  -2.436
   91    HB2  TYR  13           HB3      TYR  13  -1.125  -3.263  -4.631
   92    HB3  TYR  13           HB2      TYR  13  -1.536  -4.357  -3.314
   93    HD1  TYR  13           HD1      TYR  13  -3.553  -2.646  -5.999
   94    HD2  TYR  13           HD2      TYR  13  -2.426  -6.340  -4.117
   95    HE1  TYR  13           HE1      TYR  13  -5.108  -3.878  -7.484
   96    HE2  TYR  13           HE2      TYR  13  -3.981  -7.571  -5.603
   97    HH   TYR  13           HH       TYR  13  -6.009  -5.843  -7.972
   98    H    ASN  14           H        ASN  14  -4.067  -0.438  -2.986
   99    HA   ASN  14           HA       ASN  14  -3.606   0.622  -5.713
  100    HB2  ASN  14           HB3      ASN  14  -5.881   0.568  -4.960
  101    HB3  ASN  14           HB2      ASN  14  -5.451   1.249  -3.395
  102   HD21  ASN  14          HD22      ASN  14  -6.297   3.332  -3.313
  103   HD22  ASN  14          HD21      ASN  14  -6.194   4.473  -4.566
  104    H    CYS  15           H        CYS  15  -1.301   0.638  -4.168
  105    HA   CYS  15           HA       CYS  15  -0.982   3.261  -2.864
  106    HB2  CYS  15           HB3      CYS  15   0.842   0.930  -3.517
  107    HB3  CYS  15           HB2      CYS  15   1.420   2.392  -2.721
  108    H    CYS  16           H        CYS  16  -0.364   5.070  -3.966
  109    HA   CYS  16           HA       CYS  16  -0.048   5.161  -6.779
  110    HB2  CYS  16           HB3      CYS  16  -0.307   6.903  -4.619
  111    HB3  CYS  16           HB2      CYS  16   1.269   7.301  -5.295
  112    H    THR  17           H        THR  17   2.151   4.119  -4.382
  113    HA   THR  17           HA       THR  17   4.563   4.846  -5.941
  114    HB   THR  17           HB       THR  17   4.101   3.443  -3.294
  115    HG1  THR  17           HG1      THR  17   5.179   6.001  -3.824
  116   HG21  THR  17          HG21      THR  17   6.714   4.559  -4.305
  117   HG22  THR  17          HG22      THR  17   6.255   2.881  -4.590
  118   HG23  THR  17          HG23      THR  17   6.442   3.476  -2.940
  119    H    GLY  18           H        GLY  18   2.378   2.243  -5.636
  120    HA2  GLY  18           HA3      GLY  18   2.826   0.558  -7.547
  121    HA3  GLY  18           HA2      GLY  18   4.388   0.338  -6.761
  122    H    SER  19           H        SER  19   4.516  -1.213  -5.202
  123    HA   SER  19           HA       SER  19   2.085  -2.730  -4.515
  124    HB2  SER  19           HB3      SER  19   4.850  -3.199  -3.429
  125    HB3  SER  19           HB2      SER  19   3.621  -4.381  -3.870
  126    HG   SER  19           HG       SER  19   3.991  -3.261  -6.077
  127    H    CYS  20           H        CYS  20   1.166  -2.833  -2.452
  128    HA   CYS  20           HA       CYS  20   1.692  -0.668  -0.620
  129    HB2  CYS  20           HB3      CYS  20  -0.547  -1.307  -0.946
  130    HB3  CYS  20           HB2      CYS  20  -0.144  -3.008  -0.784
  131    H    ARG  21           H        ARG  21   2.991  -0.761   1.202
  132    HA   ARG  21           HA       ARG  21   4.728  -2.979   1.726
  133    HB2  ARG  21           HB3      ARG  21   4.383  -0.311   2.505
  134    HB3  ARG  21           HB2      ARG  21   4.181  -1.227   3.998
  135    HG2  ARG  21           HG3      ARG  21   6.327  -2.507   3.130
  136    HG3  ARG  21           HG2      ARG  21   6.579  -1.023   2.211
  137    HD2  ARG  21           HD3      ARG  21   5.937  -0.032   4.703
  138    HD3  ARG  21           HD2      ARG  21   6.867  -1.489   5.106
  139    HE   ARG  21           HE       ARG  21   7.868   0.802   3.497
  140   HH11  ARG  21          HH11      ARG  21   8.294  -2.530   3.892
  141   HH12  ARG  21          HH12      ARG  21  10.003  -2.447   4.161
  142   HH21  ARG  21          HH22      ARG  21  10.087   1.017   4.267
  143   HH22  ARG  21          HH21      ARG  21  11.018  -0.441   4.368
  144    H    SER  22           H        SER  22   4.717  -4.113   3.935
  145    HA   SER  22           HA       SER  22   2.331  -5.606   4.308
  146    HB2  SER  22           HB3      SER  22   3.663  -6.269   6.443
  147    HB3  SER  22           HB2      SER  22   4.384  -6.612   4.873
  148    HG   SER  22           HG       SER  22   4.838  -4.131   6.110
  149    H    GLY  23           H        GLY  23   1.276  -3.135   4.495
  150    HA2  GLY  23           HA3      GLY  23  -0.399  -2.838   6.496
  151    HA3  GLY  23           HA2      GLY  23   1.079  -2.459   7.383
  152    H    LYS  24           H        LYS  24   1.930  -1.293   4.532
  153    HA   LYS  24           HA       LYS  24   0.324   1.206   4.657
  154    HB2  LYS  24           HB3      LYS  24   2.891   0.838   5.843
  155    HB3  LYS  24           HB2      LYS  24   3.086   1.919   4.473
  156    HG2  LYS  24           HG3      LYS  24   1.802   3.569   5.411
  157    HG3  LYS  24           HG2      LYS  24   0.738   2.422   6.226
  158    HD2  LYS  24           HD3      LYS  24   2.424   1.979   7.919
  159    HD3  LYS  24           HD2      LYS  24   3.598   2.979   7.062
  160    HE2  LYS  24           HE3      LYS  24   1.355   4.643   7.389
  161    HE3  LYS  24           HE2      LYS  24   1.544   3.806   8.943
  162    HZ1  LYS  24           HZ1      LYS  24   4.012   4.271   8.645
  163    HZ2  LYS  24           HZ2      LYS  24   3.032   5.590   9.065
  164    HZ3  LYS  24           HZ3      LYS  24   3.551   5.397   7.458
  165    H    CYS  25           H        CYS  25   1.732   2.778   2.976
  166    HA   CYS  25           HA       CYS  25   1.718   1.224   0.436
  167    HB2  CYS  25           HB3      CYS  25   1.044   3.939   1.333
  168    HB3  CYS  25           HB2      CYS  25   1.754   3.842  -0.272