*HEADER    TOXIN                                   28-MAR-02   1LA4              
*TITLE     SOLUTION STRUCTURE OF SGTX1                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SGTX1;                                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: VOLTAGE-GATED POTASSIUM CHANNEL BLOCKER;                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE IS CHEMICALLY SYNTHESIZED.              
*KEYWDS    TRIPLE-STRANDED ANTIPARALLEL BETA-SHEET, INHIBITORY CYSTINE           
*KEYWDS   2 KNOT, PEPTIDE NEUROTOXIN                                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.W.LEE, S.ROH, S.KIM, H.ENDO, Y.KODERA, T.MAEDA,                     
*AUTHOR   2 K.J.SWARTZ, J.I.KIM                                                  
*REVDAT   1   11-NOV-03 1LA4    0                                                

! SGTx1 interresidue NOE

! residue 2    Cys , NOEs forward in sequence
assi (resi 2    and name HA  ) (resi 3    and name HN  )  2.50  0.70  0.20
assi (resi 2    and name HA  ) (resi 3    and name HB# )  4.00  2.20  3.00
assi (resi 2    and name HB1 ) (resi 3    and name HN  )  3.00  1.20  0.50 
assi (resi 2    and name HB2 ) (resi 3    and name HN  )  2.50  0.70  0.20 
assi (resi 2    and name HB1 ) (resi 15   and name HA  )  4.00  2.20  1.00 
assi (resi 2    and name HB2 ) (resi 15   and name HA  )  3.00  1.20  0.50 
assi (resi 2    and name HA  ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 2    and name HB1 ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 2    and name HB2 ) (resi 16   and name HN  )  2.50  0.70  0.20
assi (resi 2    and name HB1 ) (resi 16   and name HA  )  3.00  1.20  0.50
assi (resi 2    and name HB2 ) (resi 16   and name HA  )  2.50  0.70  0.20

! residue 3    Arg , NOEs forward in sequence
assi (resi 3    and name HA  ) (resi 4    and name HN  )  2.50  0.70  0.20
assi (resi 3    and name HG# ) (resi 4    and name HN  )  3.00  1.20  1.50
assi (resi 3    and name HB# ) (resi 4    and name HN  )  4.00  2.20  2.00
assi (resi 3    and name HD# ) (resi 4    and name HN  )  4.00  2.20  2.00
assi (resi 3    and name HG# ) (resi 7    and name HA# )  2.50  0.70  2.20
assi (resi 3    and name HB# ) (resi 7    and name HN  )  4.00  2.20  3.00
assi (resi 3    and name HB# ) (resi 7    and name HA# )  4.00  2.20  3.00
assi (resi 3    and name HN  ) (resi 15   and name HA  )  2.50  0.70  0.20
assi (resi 3    and name HN  ) (resi 15   and name HB1 )  4.00  2.20  1.00
assi (resi 3    and name HN  ) (resi 15   and name HB2 )  4.00  2.20  2.00
assi (resi 3    and name HB# ) (resi 15   and name HA  )  3.00  1.20  1.50 
assi (resi 3    and name HN  ) (resi 16   and name HN  )  3.00  1.20  0.50
assi (resi 3    and name HB# ) (resi 16   and name HN  )  4.00  2.20  2.00


! residue 4    Tyr , 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 HN  ) (resi 5    and name HN  )  4.00  2.20  1.00
assi (resi 4    and name HB# ) (resi 5    and name HN  )  2.50  0.70  1.20 
assi (resi 4    and name HD# ) (resi 5    and name HN  )  4.00  2.20  3.40
assi (resi 4    and name HA  ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 4    and name HA  ) (resi 16   and name HB2 )  3.00  1.20  0.50
assi (resi 4    and name HD# ) (resi 16   and name HB2 )  3.00  1.20  2.90
assi (resi 4    and name HD# ) (resi 16   and name HB1 )  4.00  2.20  2.40
assi (resi 4    and name HA  ) (resi 19   and name HD# )  2.50  0.70  3.10 
assi (resi 4    and name HD# ) (resi 19   and name HD# )  3.00  1.20  5.30
assi (resi 4    and name HE# ) (resi 19   and name HD# )  4.00  2.20  6.80
assi (resi 4    and name HB# ) (resi 30   and name HE3 )  4.00  2.20  2.00

! residue 5    Leu , NOEs forward in sequence
assi (resi 5    and name HA  ) (resi 6    and name HN  )  2.50  0.70  0.20
assi (resi 5    and name HA  ) (resi 6    and name HE# )  4.00  2.20  4.40
assi (resi 5    and name HA  ) (resi 6    and name HA  )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 7    and name HN  )  3.00  1.20  0.50
assi (resi 5    and name HA  ) (resi 28   and name HB1 )  4.00  2.20  1.00
assi (resi 5    and name HB2 ) (resi 6    and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HB1 ) (resi 6    and name HN  )  4.00  2.20  2.00
assi (resi 5    and name HG  ) (resi 6    and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HG  ) (resi 6    and name HD# )  3.00  1.20  2.90
assi (resi 5    and name HG  ) (resi 6    and name HE# )  4.00  2.20  3.40
assi (resi 5    and name HG  ) (resi 19   and name HD# )  4.00  2.20  3.90
assi (resi 5    and name HD# ) (resi 6    and name HD# )  3.00  1.20  6.30 
assi (resi 5    and name HD# ) (resi 6    and name HE# )  2.50  0.70  5.70 
assi (resi 5    and name HD# ) (resi 6    and name HN  )  3.00  1.20  3.40 
assi (resi 5    and name HD# ) (resi 6    and name HA  )  4.00  2.20  4.90
assi (resi 5    and name HN  ) (resi 19   and name HD# )  3.00  1.20  3.40 
assi (resi 5    and name HA  ) (resi 19   and name HD# )  3.00  1.20  3.40 
assi (resi 5    and name HD# ) (resi 27   and name HD# )  4.00  2.20  6.30
assi (resi 5    and name HD# ) (resi 29   and name HA  )  3.00  1.20  3.40 
assi (resi 5    and name HG  ) (resi 29   and name HA  )  4.00  2.20  2.00 
assi (resi 5    and name HD# ) (resi 29   and name HB# )  3.00  1.20  4.90
assi (resi 5    and name HD# ) (resi 30   and name HN  )  3.00  1.20  3.40
assi (resi 5    and name HD# ) (resi 30   and name HA  )  4.00  2.20  4.90
assi (resi 5    and name HD# ) (resi 30   and name HD1 )  4.00  2.20  4.90
assi (resi 5    and name HD# ) (resi 30   and name HE1 )  4.00  2.20  3.90
assi (resi 5    and name HD# ) (resi 30   and name HE3 )  4.00  2.20  4.90
assi (resi 5    and name HD# ) (resi 30   and name HN  )  3.00  1.20  3.40
assi (resi 5    and name HD# ) (resi 20   and name HN  )  4.00  2.20  4.90

! residue 6    Phe , NOEs forward in sequence
assi (resi 6    and name HA  ) (resi 7    and name HN  )  3.00  1.20  0.50
assi (resi 6    and name HB# ) (resi 7    and name HN  )  4.00  2.20  2.00
assi (resi 6    and name HN  ) (resi 19   and name HD# )  4.00  2.20  4.90
assi (resi 6    and name HZ  ) (resi 29   and name HB# )  3.00  1.20  2.00
assi (resi 6    and name HN  ) (resi 29   and name HB# )  4.00  2.20  3.50
assi (resi 6    and name HE# ) (resi 29   and name HB# )  4.00  2.20  3.90
assi (resi 6    and name HN  ) (resi 27   and name HD# )  3.00  1.20  2.90
assi (resi 6    and name HN  ) (resi 27   and name HE# )  4.00  2.20  3.40
assi (resi 6    and name HA  ) (resi 27   and name HB2 )  2.50  0.70  0.20
assi (resi 6    and name HA  ) (resi 27   and name HB1 )  4.00  2.20  1.00
assi (resi 6    and name HA  ) (resi 27   and name HD# )  3.00  1.20  2.90
assi (resi 6    and name HA  ) (resi 27   and name HE# )  4.00  2.20  3.40
assi (resi 6    and name HN  ) (resi 28   and name HB1 )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 28   and name HB2 )  4.00  2.20  1.00
assi (resi 6    and name HA  ) (resi 28   and name HN  )  4.00  2.20  1.00

! residue 7    Gly , NOEs forward in sequence
assi (resi 7    and name HN  ) (resi 8    and name HN  )  4.00  2.20  1.00
assi (resi 7    and name HA# ) (resi 8    and name HN  )  2.50  0.70  1.20
assi (resi 7    and name HN  ) (resi 28   and name HB1 )  4.00  2.20  1.00
assi (resi 7    and name HN  ) (resi 28   and name HB2 )  3.00  2.20  0.50
assi (resi 7    and name HN  ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 7    and name HN  ) (resi 29   and name HA  )  4.00  2.20  1.00

! residue 8    Gly , 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  1.20
assi (resi 8    and name HA# ) (resi 27   and name HA  )  3.00  1.20  1.50
assi (resi 8    and name HA# ) (resi 27   and name HB# )  4.00  2.20  2.00
assi (resi 8    and name HA# ) (resi 28   and name HN  )  4.00  2.20  2.00

! residue 9    Cys , 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 HA  ) (resi 10   and name HB# )  4.00  2.20  3.00
assi (resi 9    and name HB1 ) (resi 10   and name HN  )  4.00  2.20  1.00 
assi (resi 9    and name HB2 ) (resi 10   and name HN  )  2.50  0.70  0.20 
assi (resi 9    and name HA  ) (resi 11   and name HN  )  3.00  1.20  0.50
assi (resi 9    and name HB1 ) (resi 11   and name HN  )  4.00  2.20  1.00
assi (resi 9    and name HB2 ) (resi 11   and name HN  )  3.00  1.20  0.50
assi (resi 9    and name HB2 ) (resi 21   and name HB2 )  3.00  1.20  0.50
assi (resi 9    and name HB1 ) (resi 21   and name HB2 )  4.00  2.20  2.00
assi (resi 9    and name HA  ) (resi 14   and name HB# )  2.50  0.70  1.20
assi (resi 9    and name HN  ) (resi 27   and name HA  )  2.50  0.70  0.20
assi (resi 9    and name HN  ) (resi 27   and name HB1 )  4.00  2.20  2.00
assi (resi 9    and name HN  ) (resi 27   and name HB2 )  4.00  2.20  2.00
assi (resi 9    and name HN  ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 9    and name HB# ) (resi 28   and name HN  )  4.00  2.20  2.00

! residue 10   Lys , 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 HN  ) (resi 11   and name HG2#)  4.00  2.20  3.50
assi (resi 10   and name HA  ) (resi 11   and name HN  )  4.00  2.20  1.00
assi (resi 10   and name HB# ) (resi 11   and name HN  )  2.50  0.70  1.20
assi (resi 10   and name HB# ) (resi 11   and name HG2#)  3.00  1.20  3.00
assi (resi 10   and name HN  ) (resi 14   and name HB# )  3.00  1.20  1.50

! residue 11   Thr , NOEs forward in sequence
assi (resi 11   and name HA  ) (resi 12   and name HN  )  2.50  0.70  0.20
assi (resi 11   and name HB  ) (resi 12   and name HN  )  2.50  0.70  0.20
assi (resi 11   and name HG2#) (resi 12   and name HN  )  3.00  1.20  2.00
assi (resi 11   and name HN  ) (resi 14   and name HB# )  3.00  1.20  1.50
assi (resi 11   and name HG2#) (resi 14   and name HN  )  4.00  2.20  3.50
assi (resi 11   and name HB  ) (resi 14   and name HN  )  4.00  2.20  1.00

! residue 12   Thr , NOEs forward in sequence
assi (resi 12   and name HN  ) (resi 13   and name HN  )  3.00  1.20  0.50
assi (resi 12   and name HA  ) (resi 13   and name HN  )  4.00  2.20  1.00
assi (resi 12   and name HB  ) (resi 13   and name HN  )  3.00  1.20  0.50
assi (resi 12   and name HN  ) (resi 14   and name HN  )  4.00  2.20  2.00
assi (resi 12   and name HA  ) (resi 14   and name HN  )  4.00  2.20  1.00
assi (resi 12   and name HG2#) (resi 14   and name HN  )  4.00  2.20  3.50
assi (resi 12   and name HA  ) (resi 15   and name HN  )  4.00  2.20  1.00
assi (resi 12   and name HA  ) (resi 15   and name HB2 )  4.00  2.20  1.00
assi (resi 12   and name HA  ) (resi 15   and name HB1 )  4.00  2.20  2.00
assi (resi 12   and name HG2#) (resi 15   and name HN  )  4.00  2.20  2.50
assi (resi 12   and name HA  ) (resi 20   and name HA  )  3.00  1.20  0.50
assi (resi 12   and name HG2#) (resi 20   and name HA  )  2.50  0.70  1.70
assi (resi 12   and name HN  ) (resi 21   and name HB2 )  4.00  2.20  1.00
assi (resi 12   and name HN  ) (resi 21   and name HB1 )  3.00  1.20  0.50
assi (resi 12   and name HA  ) (resi 21   and name HN  )  2.50  0.70  0.20
assi (resi 12   and name HA  ) (resi 21   and name HA  )  4.00  2.20  1.00
assi (resi 12   and name HA  ) (resi 21   and name HB2 )  2.50  0.70  0.20
assi (resi 12   and name HA  ) (resi 21   and name HB1 )  3.00  1.20  0.50
assi (resi 12   and name HB  ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 12   and name HG2#) (resi 21   and name HN  )  3.00  1.20  2.00

! residue 13   Ala , NOEs forward in sequence
assi (resi 13   and name HN  ) (resi 14   and name HN  )  2.50  0.70  0.20
assi (resi 13   and name HA  ) (resi 14   and name HN  )  3.00  1.20  0.50
assi (resi 13   and name HB# ) (resi 14   and name HN  )  3.00  1.20  2.00
assi (resi 13   and name HA  ) (resi 15   and name HN  )  4.00  2.20  1.00
assi (resi 13   and name HB# ) (resi 15   and name HN  )  4.00  2.20  3.50
assi (resi 13   and name HN  ) (resi 15   and name HN  )  4.00  2.20  1.00

! residue 14   Asp , NOEs forward in sequence
assi (resi 14   and name HN  ) (resi 15   and name HN  )  2.50  0.70  0.20
assi (resi 14   and name HN  ) (resi 15   and name HA  )  4.00  2.20  2.00
assi (resi 14   and name HA  ) (resi 15   and name HN  )  4.00  2.20  1.00

! residue 15   Cys , NOEs forward in sequence
assi (resi 15   and name HN  ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HA  ) (resi 16   and name HN  )  2.50  0.70  0.20
assi (resi 15   and name HB1 ) (resi 16   and name HN  )  3.00  1.20  0.50
assi (resi 15   and name HB2 ) (resi 16   and name HN  )  2.50  0.70  0.20
assi (resi 15   and name HN  ) (resi 19   and name HB# )  4.00  2.20  3.00
assi (resi 15   and name HB1 ) (resi 19   and name HB# )  3.00  1.20  1.50
assi (resi 15   and name HB2 ) (resi 19   and name HB# )  2.50  0.70  1.20
assi (resi 15   and name HB1 ) (resi 19   and name HD# )  4.00  2.20  3.40
assi (resi 15   and name HB1 ) (resi 19   and name HG  )  4.00  2.20  1.00
assi (resi 15   and name HB2 ) (resi 19   and name HG  )  4.00  2.20  2.00
assi (resi 15   and name HB2 ) (resi 19   and name HD# )  3.00  1.20  2.90
assi (resi 15   and name HB1 ) (resi 20   and name HN  )  4.00  2.20  2.00
assi (resi 15   and name HB2 ) (resi 20   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HB1 ) (resi 20   and name HA  )  4.00  2.20  1.00
assi (resi 15   and name HB2 ) (resi 20   and name HA  )  4.00  2.20  2.00
assi (resi 15   and name HB1 ) (resi 28   and name HB1 )  4.00  2.20  1.00

! residue 16   Cys , NOEs forward in sequence
assi (resi 16   and name HN  ) (resi 17   and name HN  )  4.00  2.20  1.00
assi (resi 16   and name HA  ) (resi 17   and name HN  )  2.50  0.70  0.20
assi (resi 16   and name HB2 ) (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  0.20
assi (resi 16   and name HN  ) (resi 19   and name HB# )  4.00  2.20  2.00
assi (resi 16   and name HN  ) (resi 19   and name HD# )  3.00  1.20  3.40
assi (resi 16   and name HB2 ) (resi 19   and name HD# )  3.00  1.20  2.90
assi (resi 16   and name HB1 ) (resi 19   and name HD# )  3.00  1.20  2.90

! residue 17   Lys , 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 HB# ) (resi 18   and name HN  )  3.00  1.20  1.50
assi (resi 17   and name HB# ) (resi 18   and name HD2 )  4.00  2.20  2.00 
assi (resi 17   and name HG# ) (resi 18   and name HN  )  4.00  2.20  2.00
assi (resi 17   and name HD# ) (resi 18   and name HN  )  4.00  2.20  3.00
assi (resi 17   and name HD# ) (resi 18   and name HD2 )  4.00  2.20  3.00
assi (resi 17   and name HA  ) (resi 19   and name HN  )  4.00  2.20  1.00

! residue 18   His , NOEs forward in sequence
assi (resi 18   and name HN  ) (resi 19   and name HN  )  2.50  0.70  0.20
assi (resi 18   and name HN  ) (resi 19   and name HB# )  4.00  2.20  3.00
assi (resi 18   and name HN  ) (resi 19   and name HA  )  4.00  2.20  1.00
assi (resi 18   and name HA  ) (resi 19   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HB# ) (resi 19   and name HN  )  4.00  2.20  3.00
assi (resi 18   and name HB# ) (resi 30   and name HD1 )  4.00  2.20  2.00
assi (resi 18   and name HB# ) (resi 30   and name HE1 )  4.00  2.20  3.00
assi (resi 18   and name HB# ) (resi 30   and name HE3 )  4.00  2.20  3.00

! residue 19   Leu , 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 HA  ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HB# ) (resi 29   and name HN  )  4.00  2.20  2.00
assi (resi 19   and name HB# ) (resi 20   and name HN  )  3.00  1.20  1.50
assi (resi 19   and name HD# ) (resi 20   and name HN  )  3.00  1.20  3.40
assi (resi 19   and name HB# ) (resi 28   and name HB1 )  3.00  1.20  1.50
assi (resi 19   and name HB# ) (resi 28   and name HB2 )  4.00  2.20  2.00
assi (resi 19   and name HB# ) (resi 28   and name HA  )  4.00  2.20  2.00
assi (resi 19   and name HD# ) (resi 28   and name HA  )  4.00  2.20  4.90
assi (resi 19   and name HD# ) (resi 28   and name HB1 )  3.00  1.20  3.40 
assi (resi 19   and name HD# ) (resi 28   and name HB2 )  3.00  1.20  3.40 
assi (resi 19   and name HD# ) (resi 29   and name HA  )  4.00  2.20  3.90
assi (resi 19   and name HA  ) (resi 30   and name HD1 )  4.00  2.20  2.00
assi (resi 19   and name HD# ) (resi 30   and name HN  )  4.00  2.20  3.90
assi (resi 19   and name HD# ) (resi 30   and name HA  )  2.50  0.70  3.10
assi (resi 19   and name HD# ) (resi 30   and name HB2 )  4.00  2.20  3.40
assi (resi 19   and name HD# ) (resi 30   and name HB1 )  3.00  1.20  2.90
assi (resi 19   and name HD# ) (resi 30   and name HD1 )  4.00  2.20  4.00
assi (resi 19   and name HD# ) (resi 30   and name HE3 )  4.00  2.20  4.00
assi (resi 19   and name HA  ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HD# ) (resi 31   and name HN  )  4.00  2.20  3.90

! residue 20   Ala , NOEs forward in sequence
assi (resi 20   and name HA  ) (resi 21   and name HN  )  2.50  0.70  0.20
assi (resi 20   and name HA  ) (resi 21   and name HB2 )  4.00  2.20  1.00
assi (resi 20   and name HA  ) (resi 21   and name HB1 )  4.00  2.20  2.00
assi (resi 20   and name HB# ) (resi 21   and name HN  )  3.00  1.20  2.00
assi (resi 20   and name HB# ) (resi 31   and name HA  )  4.00  2.20  2.50
assi (resi 20   and name HB# ) (resi 31   and name HB# )  3.00  1.20  3.00

! residue 21   Cys , 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 HB2 ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HB1 ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HA  ) (resi 29   and name HN  )  3.00  1.20  0.50
assi (resi 21   and name HA  ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HN  ) (resi 28   and name HA  )  3.00  1.20  0.50

! residue 22   Arg , NOEs forward in sequence
assi (resi 22   and name HA  ) (resi 23   and name HN  )  2.50  0.70  0.20
assi (resi 22   and name HB# ) (resi 23   and name HN  )  3.00  2.20  2.00
assi (resi 22   and name HG# ) (resi 23   and name HN  )  4.00  2.20  2.00
assi (resi 22   and name HB# ) (resi 24   and name HN  )  4.00  2.20  2.00
assi (resi 22   and name HG# ) (resi 24   and name HN  )  4.00  2.20  2.00
assi (resi 22   and name HN  ) (resi 27   and name HN  )  3.00  1.20  0.50
assi (resi 22   and name HB# ) (resi 27   and name HN  )  4.00  2.20  2.00
assi (resi 22   and name HB# ) (resi 27   and name HD# )  2.50  0.70  3.60
assi (resi 22   and name HB# ) (resi 27   and name HE# )  2.50  0.70  3.60
assi (resi 22   and name HG# ) (resi 27   and name HN  )  4.00  2.20  3.00
assi (resi 22   and name HG# ) (resi 27   and name HD# )  4.00  2.20  5.40
assi (resi 22   and name HG# ) (resi 27   and name HE# )  4.00  2.20  4.40
assi (resi 22   and name HN  ) (resi 28   and name HA  )  3.00  1.20  0.50
assi (resi 22   and name HN  ) (resi 29   and name HN  )  4.00  2.20  1.00

! residue 23   Ser , 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  )  3.00  1.20  0.50
assi (resi 23   and name HB# ) (resi 24   and name HN  )  3.00  1.20  1.50
assi (resi 23   and name HA  ) (resi 26   and name HD# )  4.00  2.20  3.00

! residue 24   Asp , NOEs forward in sequence
assi (resi 24   and name HN  ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HA  ) (resi 25   and name HN  )  2.50  0.70  0.20
assi (resi 24   and name HB# ) (resi 25   and name HN  )  4.00  2.20  3.00

! residue 25   Gly , NOEs forward in sequence
assi (resi 25   and name HN  ) (resi 26   and name HN  )  3.00  1.20  0.50
assi (resi 25   and name HA# ) (resi 26   and name HN  )  3.00  1.20  1.50
assi (resi 25   and name HA# ) (resi 27   and name HD# )  3.00  1.20  3.90
assi (resi 25   and name HA# ) (resi 27   and name HE# )  3.00  1.20  3.90

! residue 26   Lys , NOEs forward in sequence
assi (resi 26   and name HN  ) (resi 27   and name HN  )  3.00  1.20  0.50
assi (resi 26   and name HA  ) (resi 27   and name HN  )  2.50  0.70  0.20
assi (resi 26   and name HB# ) (resi 27   and name HN  )  4.00  2.20  3.00
assi (resi 26   and name HG# ) (resi 27   and name HN  )  4.00  2.20  3.00

! residue 27   Tyr , NOEs forward in sequence
assi (resi 27   and name HN  ) (resi 28   and name HN  )  4.00  2.20  2.00
assi (resi 27   and name HA  ) (resi 28   and name HN  )  2.50  0.70  0.20
assi (resi 27   and name HB2 ) (resi 28   and name HN  )  3.00  1.20  0.50
assi (resi 27   and name HB1 ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 27   and name HD# ) (resi 28   and name HN  )  3.00  1.20  2.90

! residue 28   Cys , NOEs forward in sequence
assi (resi 28   and name HA  ) (resi 29   and name HN  )  2.50  0.70  0.20
assi (resi 28   and name HB1 ) (resi 29   and name HN  )  3.00  1.20  0.50
assi (resi 28   and name HB2 ) (resi 29   and name HN  )  4.00  2.20  1.00

! residue 29   Ala , NOEs forward in sequence
assi (resi 29   and name HA  ) (resi 30   and name HN  )  2.50  0.70  0.20
assi (resi 29   and name HA  ) (resi 30   and name HE1 )  4.00  2.20  2.00
assi (resi 29   and name HB# ) (resi 30   and name HN  )  3.00  1.20  2.00

! residue 30   Trp , NOEs forward in sequence
assi (resi 30   and name HN  ) (resi 31   and name HN  )  4.00  2.20  2.00
assi (resi 30   and name HA  ) (resi 31   and name HN  )  2.50  0.70  0.20
assi (resi 30   and name HB1 ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 30   and name HB2 ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 30   and name HD1 ) (resi 31   and name HN  )  3.00  1.20  0.50
assi (resi 30   and name HE1 ) (resi 31   and name HN  )  4.00  2.20  2.00
assi (resi 30   and name HD1 ) (resi 32   and name HN  )  4.00  2.20  1.00
assi (resi 30   and name HE1 ) (resi 32   and name HN  )  4.00  2.20  1.00

! residue 31   Asp , NOEs forward in sequence
assi (resi 31   and name HN  ) (resi 32   and name HN  )  4.00  2.20  1.00
assi (resi 31   and name HA  ) (resi 32   and name HN  )  4.00  2.20  1.00

! residue 32   Gly , NOEs forward in sequence
assi (resi 32   and name HN  ) (resi 33   and name HN  )  4.00  2.20  1.00
assi (resi 32   and name HA# ) (resi 33   and name HN  )  4.00  2.20  2.00 

! residue 33   Thr , NOEs forward in sequence
assi (resi 33   and name HN  ) (resi 34   and name HD# )  4.00  2.20  3.40
assi (resi 33   and name HA  ) (resi 34   and name HN  )  3.00  1.20  0.50
assi (resi 33   and name HB  ) (resi 34   and name HN  )  3.00  1.20  0.50
assi (resi 33   and name HG2#) (resi 34   and name HN  )  3.00  1.20  2.00
assi (resi 33   and name HG2#) (resi 34   and name HD# )  4.00  2.20  4.90


###########################################################################

!SGTx1 intraresidue NOE

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

! residue 3    Arg , intraresidue NOEs
assi (resi 3    and name HN  ) (resi 3    and name HA  )  3.00  1.20  0.50
assi (resi 3    and name HN  ) (resi 3    and name HG# )  3.00  1.20  1.50
assi (resi 3    and name HN  ) (resi 3    and name HB# )  2.50  0.70  1.20
assi (resi 3    and name HN  ) (resi 3    and name HD# )  4.00  2.20  2.00
assi (resi 3    and name HA  ) (resi 3    and name HG# )  4.00  2.20  2.00
assi (resi 3    and name HA  ) (resi 3    and name HB# )  3.00  1.20  1.50
assi (resi 3    and name HA  ) (resi 3    and name HD# )  3.00  1.20  1.50
assi (resi 3    and name HG# ) (resi 3    and name HB# )  2.50  0.70  1.40
assi (resi 3    and name HG# ) (resi 3    and name HD# )  3.00  1.20  2.50
assi (resi 3    and name HB# ) (resi 3    and name HD# )  3.00  1.20  2.50

! residue 4    Tyr , 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 HD# )  4.00  2.20  3.40
assi (resi 4    and name HA  ) (resi 4    and name HB# )  3.00  1.20  1.10
assi (resi 4    and name HA  ) (resi 4    and name HD# )  3.00  1.20  2.90
assi (resi 4    and name HA  ) (resi 4    and name HE# )  4.00  2.20  3.60
assi (resi 4    and name HB# ) (resi 4    and name HD# )  3.00  1.20  3.90
assi (resi 4    and name HB# ) (resi 4    and name HE# )  4.00  2.20  5.40

! residue 5    Leu , intraresidue NOEs
assi (resi 5    and name HN  ) (resi 5    and name HA  )  3.00  1.20  0.50
assi (resi 5    and name HN  ) (resi 5    and name HB2 )  2.50  0.70  0.20
assi (resi 5    and name HN  ) (resi 5    and name HB1 )  3.00  1.20  0.50
assi (resi 5    and name HN  ) (resi 5    and name HG  )  4.00  2.20  2.00
assi (resi 5    and name HN  ) (resi 5    and name HD# )  4.00  2.20  4.90
assi (resi 5    and name HA  ) (resi 5    and name HB# )  3.00  1.20  1.50
assi (resi 5    and name HA  ) (resi 5    and name HG  )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 5    and name HD# )  3.00  1.20  2.70
assi (resi 5    and name HB2 ) (resi 5    and name HG  )  3.00  1.20  0.50
assi (resi 5    and name HB1 ) (resi 5    and name HG  )  3.00  1.20  0.50
assi (resi 5    and name HB# ) (resi 5    and name HD# )  2.50  0.70  3.70

! residue 6    Phe , intraresidue NOEs
assi (resi 6    and name HN  ) (resi 6    and name HA  )  2.50  0.70  0.20
assi (resi 6    and name HN  ) (resi 6    and name HB# )  4.00  2.20  1.60
assi (resi 6    and name HA  ) (resi 6    and name HB# )  2.50  0.70  0.80
assi (resi 6    and name HA  ) (resi 6    and name HD# )  3.00  1.20  2.90
assi (resi 6    and name HA  ) (resi 6    and name HE# )  4.00  2.20  3.40
assi (resi 6    and name HB# ) (resi 6    and name HD# )  3.00  1.20  2.90

! residue 7    Gly , intraresidue NOEs
assi (resi 7    and name HN  ) (resi 7    and name HA# )  2.50  0.70  0.80

! residue 8    Gly , intraresidue NOEs
assi (resi 8    and name HN  ) (resi 8    and name HA# )  2.50  0.70  0.80

! residue 9    Cys , 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 HB1 )  2.50  0.70  0.20
assi (resi 9    and name HN  ) (resi 9    and name HB2 )  4.00  2.20  1.00
assi (resi 9    and name HA  ) (resi 9    and name HB1 )  2.50  0.70  0.20
assi (resi 9    and name HA  ) (resi 9    and name HB2 )  2.50  0.70  0.20

! residue 10   Lys , 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 HG# )  4.00  2.20  2.00
assi (resi 10   and name HN  ) (resi 10   and name HB# )  2.50  0.70  1.20
assi (resi 10   and name HA  ) (resi 10   and name HG# )  4.00  2.20  2.00
assi (resi 10   and name HA  ) (resi 10   and name HB# )  2.50  0.70  1.20
assi (resi 10   and name HA  ) (resi 10   and name HD# )  4.00  2.20  2.00
assi (resi 10   and name HG# ) (resi 10   and name HB# )  2.50  0.70  2.20
assi (resi 10   and name HG# ) (resi 10   and name HD# )  2.50  0.70  2.20

! residue 11   Thr , 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 HG2#)  3.00  1.20  2.00
assi (resi 11   and name HA  ) (resi 11   and name HG2#)  2.50  0.70  1.30
assi (resi 11   and name HB  ) (resi 11   and name HG2#)  2.50  0.70  1.30

! residue 12   Thr , 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 HG2#)  3.00  1.20  2.00
assi (resi 12   and name HA  ) (resi 12   and name HB  )  4.00  2.20  1.00
assi (resi 12   and name HA  ) (resi 12   and name HG2#)  3.00  1.20  1.70

! residue 13   Ala , intraresidue NOEs
assi (resi 13   and name HN  ) (resi 13   and name HA  )  3.00  1.20  0.50
assi (resi 13   and name HN  ) (resi 13   and name HB# )  2.50  0.70  2.00

! residue 14   Asp , 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# )  2.50  0.70  1.20
assi (resi 14   and name HA  ) (resi 14   and name HB# )  2.50  0.70  0.80

! 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# )  2.50  0.70  0.80

! 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 HB2 )  2.50  0.70  0.20
assi (resi 16   and name HN  ) (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 HA  ) (resi 16   and name HB1 )  2.50  0.70  0.20

! residue 17   Lys , intraresidue NOEs
assi (resi 17   and name HN  ) (resi 17   and name HA  )  2.50  0.70  2.00
assi (resi 17   and name HN  ) (resi 17   and name HB# )  2.50  0.70  0.80
assi (resi 17   and name HN  ) (resi 17   and name HG# )  3.00  1.20  1.50
assi (resi 17   and name HN  ) (resi 17   and name HD# )  4.00  2.20  2.00
assi (resi 17   and name HA  ) (resi 17   and name HB# )  3.00  1.20  1.10
assi (resi 17   and name HA  ) (resi 17   and name HG# )  4.00  2.20  2.00
assi (resi 17   and name HA  ) (resi 17   and name HD# )  4.00  2.20  2.00
assi (resi 17   and name HB# ) (resi 17   and name HG# )  2.50  0.70  1.40
assi (resi 17   and name HG# ) (resi 17   and name HD# )  2.50  0.70  1.40

! residue 18   His , intraresidue NOEs
assi (resi 18   and name HN  ) (resi 18   and name HA  )  3.00  1.20  1.50
assi (resi 18   and name HN  ) (resi 18   and name HB# )  4.00  2.20  1.60
assi (resi 18   and name HA  ) (resi 18   and name HB# )  4.00  2.20  1.60
assi (resi 18   and name HB# ) (resi 18   and name HD2 )  3.00  1.20  1.50

! residue 19   Leu , 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# )  2.50  0.70  1.20
assi (resi 19   and name HN  ) (resi 19   and name HG  )  4.00  2.20  1.00
assi (resi 19   and name HN  ) (resi 19   and name HD# )  4.00  2.20  3.90
assi (resi 19   and name HA  ) (resi 19   and name HB# )  2.50  0.70  0.80
assi (resi 19   and name HA  ) (resi 19   and name HG  )  3.00  1.20  0.50
assi (resi 19   and name HA  ) (resi 19   and name HD# )  3.00  1.20  2.70
assi (resi 19   and name HB# ) (resi 19   and name HG  )  3.00  1.20  1.10
assi (resi 19   and name HB# ) (resi 19   and name HD# )  2.50  0.70  2.40

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

! residue 21   Cys , intraresidue NOEs
assi (resi 21   and name HN  ) (resi 21   and name HA  )  2.50  0.70  0.20
assi (resi 21   and name HN  ) (resi 21   and name HB2 )  2.50  0.70  0.20
assi (resi 21   and name HN  ) (resi 21   and name HB1 )  2.50  0.70  0.20
assi (resi 21   and name HA  ) (resi 21   and name HB2 )  2.50  0.70  0.20
assi (resi 21   and name HA  ) (resi 21   and name HB1 )  3.00  1.20  0.50

! residue 22   Arg , intraresidue NOEs
assi (resi 22   and name HN  ) (resi 22   and name HA  )  3.00  1.20  0.50
assi (resi 22   and name HN  ) (resi 22   and name HB# )  3.00  1.20  1.10
assi (resi 22   and name HN  ) (resi 22   and name HG# )  3.00  1.20  1.50
assi (resi 22   and name HN  ) (resi 22   and name HD# )  4.00  2.20  3.00
assi (resi 22   and name HA  ) (resi 22   and name HB# )  3.00  1.20  0.50
assi (resi 22   and name HA  ) (resi 22   and name HG# )  3.00  1.20  1.10
assi (resi 22   and name HB# ) (resi 22   and name HG# )  2.50  0.70  1.20

! residue 23   Ser , intraresidue NOEs
assi (resi 23   and name HN  ) (resi 23   and name HA  )  2.50  0.70  0.20
assi (resi 23   and name HN  ) (resi 23   and name HB# )  3.00  1.20  1.10

! residue 24   Asp , intraresidue NOEs
assi (resi 24   and name HN  ) (resi 24   and name HA  )  3.00  1.20  0.50
assi (resi 24   and name HN  ) (resi 24   and name HB# )  3.00  1.20  1.10
assi (resi 24   and name HA  ) (resi 24   and name HB# )  2.50  0.70  0.80

! residue 25   Gly , intraresidue NOEs
assi (resi 25   and name HN  ) (resi 25   and name HA# )  2.50  0.70  0.80

! residue 26   Lys , intraresidue NOEs
assi (resi 26   and name HN  ) (resi 26   and name HA  )  2.50  0.70  0.20
assi (resi 26   and name HN  ) (resi 26   and name HB# )  4.00  2.20  1.60
assi (resi 26   and name HN  ) (resi 26   and name HD# )  4.00  2.20  3.00
assi (resi 26   and name HN  ) (resi 26   and name HG# )  4.00  2.20  1.00
assi (resi 26   and name HA  ) (resi 26   and name HB# )  2.50  0.70  0.80
assi (resi 26   and name HA  ) (resi 26   and name HD# )  4.00  2.20  2.00
assi (resi 26   and name HA  ) (resi 26   and name HG# )  4.00  2.20  2.00
assi (resi 26   and name HB# ) (resi 26   and name HG# )  2.50  0.70  2.20

! residue 27   Tyr , intraresidue NOEs
assi (resi 27   and name HN  ) (resi 27   and name HA  )  3.00  1.20  0.50
assi (resi 27   and name HN  ) (resi 27   and name HB1 )  3.00  1.20  0.50
assi (resi 27   and name HN  ) (resi 27   and name HB2 )  4.00  2.20  1.00
assi (resi 27   and name HN  ) (resi 27   and name HD# )  4.00  2.20  3.40
assi (resi 27   and name HN  ) (resi 27   and name HE# )  4.00  2.20  4.40
assi (resi 27   and name HA  ) (resi 27   and name HB1 )  3.00  1.20  0.50
assi (resi 27   and name HA  ) (resi 27   and name HB2 )  2.50  0.70  0.80
assi (resi 27   and name HA  ) (resi 27   and name HD# )  3.00  1.20  2.90
assi (resi 27   and name HA  ) (resi 27   and name HE# )  4.00  2.20  3.40
assi (resi 27   and name HB1 ) (resi 27   and name HD# )  2.50  0.70  2.20
assi (resi 27   and name HB2 ) (resi 27   and name HD# )  2.50  0.70  2.20
assi (resi 27   and name HB1 ) (resi 27   and name HE# )  3.00  1.20  2.50
assi (resi 27   and name HB2 ) (resi 27   and name HE# )  4.00  2.20  1.00

! residue 28   Cys , intraresidue NOEs
assi (resi 28   and name HN  ) (resi 28   and name HA  )  3.00  1.20  0.50
assi (resi 28   and name HN  ) (resi 28   and name HB1 )  3.00  1.20  0.50
assi (resi 28   and name HN  ) (resi 28   and name HB2 )  2.50  0.70  0.20
assi (resi 28   and name HA  ) (resi 28   and name HB1 )  2.50  0.70  0.20
assi (resi 28   and name HA  ) (resi 28   and name HB2 )  3.00  1.20  0.50

! residue 29   Ala , intraresidue NOEs
assi (resi 29   and name HN  ) (resi 29   and name HA  )  3.00  1.20  0.50
assi (resi 29   and name HN  ) (resi 29   and name HB# )  2.50  0.70  1.30
assi (resi 29   and name HA  ) (resi 29   and name HB# )  2.50  0.70  1.30

! residue 30   Trp , intraresidue NOEs
assi (resi 30   and name HN  ) (resi 30   and name HA  )  3.00  1.20  0.50
assi (resi 30   and name HN  ) (resi 30   and name HB# )  2.50  0.70  0.80
assi (resi 30   and name HN  ) (resi 30   and name HD1 )  4.00  2.20  1.00
assi (resi 30   and name HA  ) (resi 30   and name HB# )  3.00  1.20  1.10
assi (resi 30   and name HA  ) (resi 30   and name HD1 )  4.00  2.20  1.00
assi (resi 30   and name HA  ) (resi 30   and name HE1 )  4.00  2.20  2.00
assi (resi 30   and name HA  ) (resi 30   and name HE3 )  4.00  2.20  1.00
assi (resi 30   and name HB2 ) (resi 30   and name HD1 )  4.00  2.20  1.00
assi (resi 30   and name HB1 ) (resi 30   and name HD1 )  4.00  2.20  1.00
assi (resi 30   and name HB2 ) (resi 30   and name HE3 )  4.00  2.20  1.00
assi (resi 30   and name HB1 ) (resi 30   and name HE3 )  2.50  0.70  0.20

! residue 31   Asp , intraresidue NOEs
assi (resi 31   and name HN  ) (resi 31   and name HA  )  3.00  1.20  0.50
assi (resi 31   and name HN  ) (resi 31   and name HB# )  3.00  1.20  1.10
assi (resi 31   and name HA  ) (resi 31   and name HB# )  2.50  0.70  0.80

! residue 32   Gly , intraresidue NOEs
assi (resi 32   and name HN  ) (resi 32   and name HA# )  2.50  0.70  0.80

! residue 33   Thr , intraresidue NOEs
assi (resi 33   and name HN  ) (resi 33   and name HA  )  3.00  1.20  0.50
assi (resi 33   and name HN  ) (resi 33   and name HB  )  3.00  1.20  0.50
assi (resi 33   and name HN  ) (resi 33   and name HG2#)  3.00  1.20  2.00
assi (resi 33   and name HA  ) (resi 33   and name HG2#)  2.50  0.70  1.70
assi (resi 33   and name HB  ) (resi 33   and name HG2#)  2.50  0.70  1.70

! residue 34   Phe , intraresidue NOEs
assi (resi 34   and name HN  ) (resi 34   and name HA  )  3.00  1.20  0.50
assi (resi 34   and name HN  ) (resi 34   and name HB# )  4.00  2.20  1.60
assi (resi 34   and name HN  ) (resi 34   and name HD# )  4.00  2.20  3.40
assi (resi 34   and name HA  ) (resi 34   and name HB# )  3.00  1.20  1.10
assi (resi 34   and name HA  ) (resi 34   and name HD# )  4.00  2.20  3.40
assi (resi 34   and name HB# ) (resi 34   and name HD# )  3.00  1.20  2.90

##########################################################################

!SGTx1 hydrogenbond noe
set message=off echo=off end

assign (resid   7 and name o   )  (resid  28 and name hn  ) 2.00 0.20 0.30
assign (resid   7 and name o   )  (resid  28 and name n   ) 3.00 0.20 0.30
assign (resid  26 and name o   )  (resid   9 and name hn  ) 2.00 0.20 0.30
assign (resid  26 and name o   )  (resid   9 and name n   ) 3.00 0.20 0.30
assign (resid  29 and name o   )  (resid  20 and name hn  ) 2.00 0.20 0.30
assign (resid  29 and name o   )  (resid  20 and name n   ) 3.00 0.20 0.30
assign (resid  12 and name o   )  (resid  15 and name hn  ) 2.00 0.20 0.30
assign (resid  12 and name o   )  (resid  15 and name n   ) 3.00 0.20 0.30
assign (resid  20 and name o   )  (resid  29 and name hn  ) 2.00 0.20 0.30
assign (resid  20 and name o   )  (resid  29 and name n   ) 3.00 0.20 0.30
assign (resid  22 and name o   )  (resid  27 and name hn  ) 2.00 0.20 0.30
assign (resid  22 and name o   )  (resid  27 and name n   ) 3.00 0.20 0.30
assign (resid  27 and name o   )  (resid  22 and name hn  ) 2.00 0.20 0.30
assign (resid  27 and name o   )  (resid  22 and name n   ) 3.00 0.20 0.30

set message=on echo=on end

##########################################################################

!sgtx1 s-sbond 
set message=off echo=off end

assign (resid   2 and name sg  )  (resid  16 and name sg  ) 2.02 0.02 0.02
assign (resid   2 and name cb  )  (resid  16 and name sg  ) 2.99 0.50 0.50 
assign (resid   2 and name sg  )  (resid  16 and name cb  ) 2.99 0.50 0.50 
assign (resid   9 and name sg  )  (resid  21 and name sg  ) 2.02 0.02 0.02 
assign (resid   9 and name cb  )  (resid  21 and name sg  ) 2.99 0.50 0.50 
assign (resid   9 and name sg  )  (resid  21 and name cb  ) 2.99 0.50 0.50 
assign (resid  15 and name sg  )  (resid  28 and name sg  ) 2.02 0.02 0.02 
assign (resid  15 and name cb  )  (resid  28 and name sg  ) 2.99 0.50 0.50 
assign (resid  15 and name sg  )  (resid  28 and name cb  ) 2.99 0.50 0.50 

set message=on echo=on end

############################################################################

!SGTx1 
{dihedral}

restraints
  dihedral

  reset

assign (resid   2 and name c   )  (resid   3 and name n   )
       (resid   3 and name ca  )  (resid   3 and name c   ) 1 -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 -120.0 40.0 2
assign (resid   9 and name c   )  (resid  10 and name n   )
       (resid  10 and name ca  )  (resid  10 and name c   ) 1 -120.0 40.0 2
assign (resid  10 and name c   )  (resid  11 and name n   )
       (resid  11 and name ca  )  (resid  11 and name c   ) 1 -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  -65.0 25.0 2
assign (resid  12 and name c   )  (resid  13 and name n   )
       (resid  13 and name ca  )  (resid  13 and name c   ) 1  -65.0 25.0 2
assign (resid  14 and name c   )  (resid  15 and name n   )
       (resid  15 and name ca  )  (resid  15 and name c   ) 1 -120.0 40.0 2
assign (resid  17 and name c   )  (resid  18 and name n   )
       (resid  18 and name ca  )  (resid  18 and name c   ) 1 -120.0 40.0 2
assign (resid  18 and name c   )  (resid  19 and name n   )
       (resid  19 and name ca  )  (resid  19 and name c   ) 1 -120.0 40.0 2
assign (resid  19 and name c   )  (resid  20 and name n   )
       (resid  20 and name ca  )  (resid  20 and name c   ) 1 -120.0 40.0 2
assign (resid  22 and name c   )  (resid  23 and name n   )
       (resid  23 and name ca  )  (resid  23 and name c   ) 1  -65.0 25.0 2
assign (resid  23 and name c   )  (resid  24 and name n   )
       (resid  24 and name ca  )  (resid  24 and name c   ) 1 -120.0 40.0 2
assign (resid  26 and name c   )  (resid  27 and name n   )
       (resid  27 and name ca  )  (resid  27 and name c   ) 1 -120.0 40.0 2
assign (resid  28 and name c   )  (resid  29 and name n   )
       (resid  29 and name ca  )  (resid  29 and name c   ) 1 -120.0 40.0 2
assign (resid  29 and name c   )  (resid  30 and name n   )
       (resid  30 and name ca  )  (resid  30 and name c   ) 1 -120.0 40.0 2
assign (resid  30 and name c   )  (resid  31 and name n   )
       (resid  31 and name ca  )  (resid  31 and name c   ) 1 -120.0 40.0 2
assign (resid  32 and name c   )  (resid  33 and name n   )
       (resid  33 and name ca  )  (resid  33 and name c   ) 1 -120.0 40.0 2
assign (resid   2 and name n   )  (resid   2 and name ca  )
       (resid   2 and name cb  )  (resid   2 and name sg  ) 1   60.0 30.0 2
assign (resid  27 and name n   )  (resid  27 and name ca  )
       (resid  27 and name cb  )  (resid  27 and name cg  ) 1   60.0 30.0 2
assign (resid  21 and name n   )  (resid  21 and name ca  )
       (resid  21 and name cb  )  (resid  21 and name sg  ) 1  180.0 30.0 2
assign (resid  15 and name n   )  (resid  15 and name ca  )
       (resid  15 and name cb  )  (resid  15 and name sg  ) 1  -60.0 30.0 2
assign (resid   6 and name n   )  (resid   6 and name ca  )
       (resid   6 and name cb  )  (resid   6 and name cg  ) 1  -60.0 30.0 2
assign (resid   5 and name n   )  (resid   5 and name ca  )
       (resid   5 and name cb  )  (resid   5 and name cg  ) 1  -60.0 30.0 2
assign (resid  30 and name n   )  (resid  30 and name ca  )
       (resid  30 and name cb  )  (resid  30 and name cg  ) 1   60.0 30.0 2
assign (resid   9 and name n   )  (resid   9 and name ca  )
       (resid   9 and name cb  )  (resid   9 and name sg  ) 1   60.0 30.0 2
assign (resid  16 and name n   )  (resid  16 and name ca  )
       (resid  16 and name cb  )  (resid  16 and name sg  ) 1  -60.0 30.0 2
assign (resid  28 and name n   )  (resid  28 and name ca  )
       (resid  28 and name cb  )  (resid  28 and name sg  ) 1  -60.0 30.0 2

end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   1          1HT       THR   1  -8.163   6.366  -7.670
    2   2H    THR   1          2HT       THR   1  -6.498   6.113  -7.441
    3   3H    THR   1          3HT       THR   1  -7.215   7.569  -6.942
    4    HA   THR   1           HA       THR   1  -7.745   6.728  -4.956
    5    HB   THR   1           HB       THR   1  -9.741   5.856  -6.048
    6    HG1  THR   1           1HG      THR   1  -8.761   4.915  -3.927
    7   1HG2  THR   1          1HG2      THR   1  -7.902   4.395  -7.562
    8   2HG2  THR   1          2HG2      THR   1  -9.659   4.291  -7.666
    9   3HG2  THR   1          3HG2      THR   1  -8.770   3.178  -6.626
   10    H    CYS   2           H        CYS   2  -6.276   5.878  -3.524
   11    HA   CYS   2           HA       CYS   2  -5.024   3.262  -3.999
   12   1HB   CYS   2          2HB       CYS   2  -2.723   4.310  -3.962
   13   2HB   CYS   2          1HB       CYS   2  -3.651   4.652  -5.420
   14    H    ARG   3           H        ARG   3  -3.093   3.149  -2.245
   15    HA   ARG   3           HA       ARG   3  -4.197   4.265   0.313
   16   1HB   ARG   3          2HB       ARG   3  -3.623   1.580  -0.618
   17   2HB   ARG   3          1HB       ARG   3  -2.655   1.947   0.812
   18   1HG   ARG   3          2HG       ARG   3  -4.519   2.259   2.166
   19   2HG   ARG   3          1HG       ARG   3  -5.559   2.694   0.809
   20   1HD   ARG   3          2HD       ARG   3  -4.558  -0.017   0.494
   21   2HD   ARG   3          1HD       ARG   3  -5.416   0.174   2.036
   22    HE   ARG   3           HE       ARG   3  -7.305   1.181   0.707
   23   1HH1  ARG   3          1HH2      ARG   3  -6.137  -1.733  -0.109
   24   2HH1  ARG   3          2HH2      ARG   3  -6.572  -1.697  -1.786
   25   1HH2  ARG   3          1HH1      ARG   3  -7.333   1.687  -1.787
   26   2HH2  ARG   3          2HH1      ARG   3  -7.248   0.241  -2.737
   27    H    TYR   4           H        TYR   4  -2.192   3.899   2.037
   28    HA   TYR   4           HA       TYR   4   0.219   5.103   0.711
   29   1HB   TYR   4          2HB       TYR   4  -1.271   5.777   3.254
   30   2HB   TYR   4          1HB       TYR   4   0.384   6.325   2.979
   31    HD1  TYR   4           1HD      TYR   4   0.891   8.049   1.381
   32    HD2  TYR   4           2HD      TYR   4  -3.101   6.497   1.721
   33    HE1  TYR   4           1HE      TYR   4   0.050   9.902  -0.034
   34    HE2  TYR   4           2HE      TYR   4  -3.941   8.352   0.307
   35    HH   TYR   4           HH       TYR   4  -1.710  10.703  -1.157
   36    H    LEU   5           H        LEU   5   1.855   5.162   2.930
   37    HA   LEU   5           HA       LEU   5   3.215   2.799   3.028
   38   1HB   LEU   5          2HB       LEU   5   2.709   5.010   4.955
   39   2HB   LEU   5          1HB       LEU   5   3.537   3.583   5.577
   40    HG   LEU   5           HG       LEU   5   4.391   5.080   3.087
   41   1HD1  LEU   5          1HD1      LEU   5   4.739   6.560   4.947
   42   2HD1  LEU   5          2HD1      LEU   5   6.300   5.817   4.599
   43   3HD1  LEU   5          3HD1      LEU   5   5.335   5.245   5.959
   44   1HD2  LEU   5          1HD2      LEU   5   6.084   3.541   2.910
   45   2HD2  LEU   5          2HD2      LEU   5   4.940   2.514   3.774
   46   3HD2  LEU   5          3HD2      LEU   5   6.222   3.344   4.656
   47    H    PHE   6           H        PHE   6   3.073   0.825   4.006
   48    HA   PHE   6           HA       PHE   6   2.064  -1.023   5.048
   49   1HB   PHE   6          2HB       PHE   6   1.111   1.157   6.923
   50   2HB   PHE   6          1HB       PHE   6   1.469  -0.524   7.334
   51    HD1  PHE   6           1HD      PHE   6   2.770   2.618   7.720
   52    HD2  PHE   6           2HD      PHE   6   3.914  -1.214   6.152
   53    HE1  PHE   6           1HE      PHE   6   5.162   3.204   8.023
   54    HE2  PHE   6           2HE      PHE   6   6.302  -0.631   6.459
   55    HZ   PHE   6           HZ       PHE   6   6.926   1.577   7.384
   56    H    GLY   7           H        GLY   7   0.431   0.541   3.035
   57   1HA   GLY   7          2HA       GLY   7  -2.324   0.407   4.009
   58   2HA   GLY   7          1HA       GLY   7  -1.830   0.707   2.341
   59    H    GLY   8           H        GLY   8  -3.420  -1.494   4.214
   60   1HA   GLY   8          2HA       GLY   8  -2.494  -4.044   3.586
   61   2HA   GLY   8          1HA       GLY   8  -4.212  -3.653   3.687
   62    H    CYS   9           H        CYS   9  -1.577  -4.328   1.549
   63    HA   CYS   9           HA       CYS   9  -3.408  -4.017  -0.812
   64   1HB   CYS   9          2HB       CYS   9  -1.459  -3.257  -2.011
   65   2HB   CYS   9          1HB       CYS   9  -1.581  -2.348  -0.501
   66    H    LYS  10           H        LYS  10  -3.005  -5.457  -2.555
   67    HA   LYS  10           HA       LYS  10  -1.687  -8.032  -1.765
   68   1HB   LYS  10          2HB       LYS  10  -4.168  -7.277  -3.289
   69   2HB   LYS  10          1HB       LYS  10  -3.354  -8.790  -3.690
   70   1HG   LYS  10          2HG       LYS  10  -3.433  -8.742  -0.888
   71   2HG   LYS  10          1HG       LYS  10  -5.019  -8.163  -1.395
   72   1HD   LYS  10          2HD       LYS  10  -4.115 -10.425  -3.002
   73   2HD   LYS  10          1HD       LYS  10  -4.217 -10.825  -1.287
   74   1HE   LYS  10          2HE       LYS  10  -6.429 -11.209  -1.849
   75   2HE   LYS  10          1HE       LYS  10  -6.545  -9.460  -1.569
   76   1HZ   LYS  10          1HZ       LYS  10  -6.358 -10.924  -4.106
   77   2HZ   LYS  10          2HZ       LYS  10  -5.667  -9.375  -4.012
   78   3HZ   LYS  10          3HZ       LYS  10  -7.324  -9.590  -3.705
   79    H    THR  11           H        THR  11  -1.460  -5.283  -3.692
   80    HA   THR  11           HA       THR  11   0.624  -6.535  -5.381
   81    HB   THR  11           HB       THR  11  -0.813  -5.263  -7.321
   82    HG1  THR  11           1HG      THR  11  -2.995  -6.284  -6.763
   83   1HG2  THR  11          1HG2      THR  11   0.127  -7.656  -7.136
   84   2HG2  THR  11          2HG2      THR  11  -1.309  -7.426  -8.132
   85   3HG2  THR  11          3HG2      THR  11  -1.461  -8.094  -6.507
   86    H    THR  12           H        THR  12   1.798  -4.850  -6.651
   87    HA   THR  12           HA       THR  12   2.306  -2.471  -5.098
   88    HB   THR  12           HB       THR  12   3.098  -3.529  -7.815
   89    HG1  THR  12           1HG      THR  12   3.995  -4.422  -5.900
   90   1HG2  THR  12          1HG2      THR  12   4.885  -1.530  -7.379
   91   2HG2  THR  12          2HG2      THR  12   3.423  -0.796  -6.719
   92   3HG2  THR  12          3HG2      THR  12   3.453  -1.350  -8.393
   93    H    ALA  13           H        ALA  13   0.296  -3.147  -7.925
   94    HA   ALA  13           HA       ALA  13  -0.150  -0.380  -8.666
   95   1HB   ALA  13          1HB       ALA  13  -0.671  -1.773 -10.407
   96   2HB   ALA  13          2HB       ALA  13  -2.268  -1.778  -9.659
   97   3HB   ALA  13          3HB       ALA  13  -1.139  -3.094  -9.335
   98    H    ASP  14           H        ASP  14  -1.061  -2.016  -5.911
   99    HA   ASP  14           HA       ASP  14  -3.777  -0.855  -5.705
  100   1HB   ASP  14          2HB       ASP  14  -2.236  -3.033  -4.587
  101   2HB   ASP  14          1HB       ASP  14  -2.944  -2.067  -3.293
  102    H    CYS  15           H        CYS  15  -0.598   0.171  -5.053
  103    HA   CYS  15           HA       CYS  15  -1.435   1.810  -2.705
  104   1HB   CYS  15          2HB       CYS  15   1.311   1.952  -3.861
  105   2HB   CYS  15          1HB       CYS  15   0.806   1.930  -2.179
  106    H    CYS  16           H        CYS  16  -0.196   4.084  -2.862
  107    HA   CYS  16           HA       CYS  16  -1.463   5.539  -5.047
  108   1HB   CYS  16          2HB       CYS  16   0.299   6.195  -2.682
  109   2HB   CYS  16          1HB       CYS  16  -0.159   7.439  -3.843
  110    H    LYS  17           H        LYS  17   0.350   7.487  -5.728
  111    HA   LYS  17           HA       LYS  17   2.103   6.033  -7.581
  112   1HB   LYS  17          2HB       LYS  17   2.409   8.269  -8.534
  113   2HB   LYS  17          1HB       LYS  17   0.701   8.012  -8.176
  114   1HG   LYS  17          2HG       LYS  17   0.946   9.232  -6.054
  115   2HG   LYS  17          1HG       LYS  17   2.662   9.473  -6.381
  116   1HD   LYS  17          2HD       LYS  17   0.870  10.321  -8.568
  117   2HD   LYS  17          1HD       LYS  17   0.702  11.252  -7.080
  118   1HE   LYS  17          2HE       LYS  17   2.614  12.365  -7.558
  119   2HE   LYS  17          1HE       LYS  17   3.505  10.829  -7.592
  120   1HZ   LYS  17          1HZ       LYS  17   1.974  12.075  -9.808
  121   2HZ   LYS  17          2HZ       LYS  17   2.527  10.469  -9.847
  122   3HZ   LYS  17          3HZ       LYS  17   3.638  11.751  -9.763
  123    H    HIS  18           H        HIS  18   2.920   5.650  -4.922
  124    HA   HIS  18           HA       HIS  18   5.702   6.570  -5.083
  125   1HB   HIS  18          2HB       HIS  18   3.749   7.608  -3.019
  126   2HB   HIS  18          1HB       HIS  18   5.487   7.590  -2.718
  127    HD1  HIS  18           1HD      HIS  18   6.648   8.443  -5.358
  128    HD2  HIS  18           2HD      HIS  18   3.233  10.228  -3.768
  129    HE1  HIS  18           1HE      HIS  18   6.467  10.728  -6.434
  130    H    LEU  19           H        LEU  19   3.148   4.880  -3.336
  131    HA   LEU  19           HA       LEU  19   4.905   3.468  -1.514
  132   1HB   LEU  19          2HB       LEU  19   2.044   3.262  -2.435
  133   2HB   LEU  19          1HB       LEU  19   2.719   2.137  -1.258
  134    HG   LEU  19           HG       LEU  19   1.661   3.958  -0.061
  135   1HD1  LEU  19          1HD1      LEU  19   3.358   4.234   1.433
  136   2HD1  LEU  19          2HD1      LEU  19   4.468   4.843   0.206
  137   3HD1  LEU  19          3HD1      LEU  19   4.204   3.108   0.370
  138   1HD2  LEU  19          1HD2      LEU  19   2.133   6.256  -0.468
  139   2HD2  LEU  19          2HD2      LEU  19   1.923   5.542  -2.067
  140   3HD2  LEU  19          3HD2      LEU  19   3.543   5.867  -1.453
  141    H    ALA  20           H        ALA  20   4.906   1.027  -1.517
  142    HA   ALA  20           HA       ALA  20   4.834  -0.209  -4.226
  143   1HB   ALA  20          1HB       ALA  20   7.112  -0.823  -4.113
  144   2HB   ALA  20          2HB       ALA  20   7.179  -0.585  -2.367
  145   3HB   ALA  20          3HB       ALA  20   7.120   0.809  -3.444
  146    H    CYS  21           H        CYS  21   3.138  -1.604  -3.591
  147    HA   CYS  21           HA       CYS  21   2.733  -2.857  -1.134
  148   1HB   CYS  21          2HB       CYS  21   1.265  -2.780  -3.187
  149   2HB   CYS  21          1HB       CYS  21   2.272  -4.048  -3.883
  150    H    ARG  22           H        ARG  22   4.755  -3.586  -0.232
  151    HA   ARG  22           HA       ARG  22   6.473  -5.452  -1.678
  152   1HB   ARG  22          2HB       ARG  22   6.503  -3.817   0.664
  153   2HB   ARG  22          1HB       ARG  22   6.880  -5.469   1.156
  154   1HG   ARG  22          2HG       ARG  22   8.993  -4.724   0.551
  155   2HG   ARG  22          1HG       ARG  22   8.443  -5.402  -0.983
  156   1HD   ARG  22          2HD       ARG  22   7.509  -3.015  -1.456
  157   2HD   ARG  22          1HD       ARG  22   8.613  -2.503  -0.165
  158    HE   ARG  22           HE       ARG  22  10.437  -3.020  -1.586
  159   1HH1  ARG  22          1HH2      ARG  22   7.883  -2.874  -3.567
  160   2HH1  ARG  22          2HH2      ARG  22   8.374  -4.109  -4.677
  161   1HH2  ARG  22          1HH1      ARG  22  10.921  -5.294  -2.643
  162   2HH2  ARG  22          2HH1      ARG  22  10.094  -5.480  -4.153
  163    H    SER  23           H        SER  23   6.339  -7.670  -1.631
  164    HA   SER  23           HA       SER  23   4.023  -9.008  -0.676
  165   1HB   SER  23          2HB       SER  23   5.689  -9.606  -2.528
  166   2HB   SER  23          1HB       SER  23   6.724 -10.233  -1.249
  167    HG   SER  23           HG       SER  23   5.028 -11.625  -0.659
  168    H    ASP  24           H        ASP  24   6.712  -7.866   1.054
  169    HA   ASP  24           HA       ASP  24   6.868 -10.010   3.041
  170   1HB   ASP  24          2HB       ASP  24   7.880  -7.156   2.863
  171   2HB   ASP  24          1HB       ASP  24   8.277  -8.240   4.196
  172    H    GLY  25           H        GLY  25   4.333  -9.815   3.200
  173   1HA   GLY  25          2HA       GLY  25   2.925  -9.497   5.202
  174   2HA   GLY  25          1HA       GLY  25   3.728  -7.943   5.448
  175    H    LYS  26           H        LYS  26   3.096  -8.608   2.172
  176    HA   LYS  26           HA       LYS  26   1.722  -7.400   0.657
  177   1HB   LYS  26          2HB       LYS  26  -0.029  -8.618   2.793
  178   2HB   LYS  26          1HB       LYS  26  -0.739  -7.771   1.418
  179   1HG   LYS  26          2HG       LYS  26   0.983  -9.323   0.073
  180   2HG   LYS  26          1HG       LYS  26   0.755 -10.353   1.486
  181   1HD   LYS  26          2HD       LYS  26  -1.807  -9.363   0.712
  182   2HD   LYS  26          1HD       LYS  26  -1.011  -9.985  -0.734
  183   1HE   LYS  26          2HE       LYS  26  -2.070 -11.901   0.181
  184   2HE   LYS  26          1HE       LYS  26  -0.405 -12.036   0.780
  185   1HZ   LYS  26          1HZ       LYS  26  -2.435 -12.105   2.428
  186   2HZ   LYS  26          2HZ       LYS  26  -2.302 -10.415   2.313
  187   3HZ   LYS  26          3HZ       LYS  26  -0.984 -11.339   2.857
  188    H    TYR  27           H        TYR  27   2.914  -5.415   1.825
  189    HA   TYR  27           HA       TYR  27   0.736  -3.572   2.746
  190   1HB   TYR  27          2HB       TYR  27   2.222  -2.761   4.481
  191   2HB   TYR  27          1HB       TYR  27   2.176  -4.519   4.600
  192    HD1  TYR  27           1HD      TYR  27   4.048  -5.885   3.639
  193    HD2  TYR  27           2HD      TYR  27   4.244  -1.602   3.922
  194    HE1  TYR  27           1HE      TYR  27   6.507  -5.977   3.335
  195    HE2  TYR  27           2HE      TYR  27   6.705  -1.696   3.616
  196    HH   TYR  27           HH       TYR  27   8.356  -3.393   2.500
  197    H    CYS  28           H        CYS  28   0.903  -1.476   1.883
  198    HA   CYS  28           HA       CYS  28   2.810  -1.131  -0.340
  199   1HB   CYS  28          2HB       CYS  28   0.425   0.345   0.772
  200   2HB   CYS  28          1HB       CYS  28   1.425   1.055  -0.492
  201    H    ALA  29           H        ALA  29   4.729  -0.119  -0.069
  202    HA   ALA  29           HA       ALA  29   4.961   2.119   1.901
  203   1HB   ALA  29          1HB       ALA  29   6.160  -0.564   2.034
  204   2HB   ALA  29          2HB       ALA  29   6.015   0.658   3.297
  205   3HB   ALA  29          3HB       ALA  29   7.354   0.729   2.152
  206    H    TRP  30           H        TRP  30   5.982   3.818   0.875
  207    HA   TRP  30           HA       TRP  30   7.045   3.434  -1.813
  208   1HB   TRP  30          2HB       TRP  30   7.354   5.908  -1.657
  209   2HB   TRP  30          1HB       TRP  30   5.729   5.399  -1.209
  210    HD1  TRP  30           HD       TRP  30   9.028   5.635   0.795
  211    HE1  TRP  30           1HE      TRP  30   8.544   6.886   2.968
  212    HE3  TRP  30           3HE      TRP  30   4.085   6.710   0.124
  213    HZ2  TRP  30           2HZ      TRP  30   6.368   8.203   4.274
  214    HZ3  TRP  30           3HZ      TRP  30   2.833   7.975   1.848
  215    HH2  TRP  30           HH       TRP  30   3.968   8.724   3.921
  216    H    ASP  31           H        ASP  31   9.233   4.255  -2.414
  217    HA   ASP  31           HA       ASP  31  11.238   3.857  -0.222
  218   1HB   ASP  31          2HB       ASP  31  10.754   1.943  -1.930
  219   2HB   ASP  31          1HB       ASP  31  11.638   2.959  -3.072
  220    H    GLY  32           H        GLY  32  11.993   5.974  -0.014
  221   1HA   GLY  32          2HA       GLY  32  13.148   7.929  -0.610
  222   2HA   GLY  32          1HA       GLY  32  13.648   7.086  -2.078
  223    H    THR  33           H        THR  33  13.239   8.813  -3.507
  224    HA   THR  33           HA       THR  33  10.376   9.250  -4.136
  225    HB   THR  33           HB       THR  33  11.535  11.816  -4.191
  226    HG1  THR  33           1HG      THR  33  11.970  10.694  -1.650
  227   1HG2  THR  33          1HG2      THR  33  10.026  12.076  -2.102
  228   2HG2  THR  33          2HG2      THR  33   9.615  10.382  -2.367
  229   3HG2  THR  33          3HG2      THR  33   9.264  11.580  -3.614
  230    H    PHE  34           H        PHE  34  10.444  11.019  -6.098
  231    HA   PHE  34           HA       PHE  34  12.185   9.784  -8.139
  232   1HB   PHE  34          2HB       PHE  34   9.626  10.556  -8.156
  233   2HB   PHE  34          1HB       PHE  34  10.346  12.084  -8.666
  234    HD1  PHE  34           1HD      PHE  34   9.293   8.835  -9.720
  235    HD2  PHE  34           2HD      PHE  34  12.071  11.989 -10.606
  236    HE1  PHE  34           1HE      PHE  34   9.586   7.933 -12.012
  237    HE2  PHE  34           2HE      PHE  34  12.364  11.087 -12.899
  238    HZ   PHE  34           HZ       PHE  34  11.121   9.059 -13.601
  Start of MODEL    2
    1   1H    THR   1          1HT       THR   1  -7.055   8.005  -4.245
    2   2H    THR   1          2HT       THR   1  -8.188   8.073  -5.510
    3   3H    THR   1          3HT       THR   1  -6.713   7.258  -5.729
    4    HA   THR   1           HA       THR   1  -8.599   6.395  -3.620
    5    HB   THR   1           HB       THR   1  -9.104   4.765  -5.759
    6    HG1  THR   1           1HG      THR   1  -9.120   5.940  -7.577
    7   1HG2  THR   1          1HG2      THR   1 -11.125   6.383  -6.095
    8   2HG2  THR   1          2HG2      THR   1 -10.428   7.262  -4.735
    9   3HG2  THR   1          3HG2      THR   1 -10.927   5.582  -4.536
   10    H    CYS   2           H        CYS   2  -5.998   6.221  -3.094
   11    HA   CYS   2           HA       CYS   2  -5.270   3.400  -3.793
   12   1HB   CYS   2          2HB       CYS   2  -2.879   4.319  -3.835
   13   2HB   CYS   2          1HB       CYS   2  -3.912   4.784  -5.185
   14    H    ARG   3           H        ARG   3  -3.172   2.942  -2.257
   15    HA   ARG   3           HA       ARG   3  -4.014   3.742   0.512
   16   1HB   ARG   3          2HB       ARG   3  -3.554   1.206  -0.826
   17   2HB   ARG   3          1HB       ARG   3  -2.505   1.363   0.583
   18   1HG   ARG   3          2HG       ARG   3  -4.361   0.584   1.677
   19   2HG   ARG   3          1HG       ARG   3  -4.813   2.289   1.641
   20   1HD   ARG   3          2HD       ARG   3  -6.178   1.959  -0.334
   21   2HD   ARG   3          1HD       ARG   3  -5.599   0.290  -0.508
   22    HE   ARG   3           HE       ARG   3  -6.608   0.479   2.106
   23   1HH1  ARG   3          1HH1      ARG   3  -8.630   2.308   0.880
   24   2HH1  ARG   3          2HH1      ARG   3  -9.858   1.201   0.360
   25   1HH2  ARG   3          1HH2      ARG   3  -7.810  -1.587   0.579
   26   2HH2  ARG   3          2HH2      ARG   3  -9.393  -1.003   0.189
   27    H    TYR   4           H        TYR   4  -2.398   4.568   1.840
   28    HA   TYR   4           HA       TYR   4   0.190   5.207   0.583
   29   1HB   TYR   4          2HB       TYR   4  -1.240   5.885   3.156
   30   2HB   TYR   4          1HB       TYR   4   0.429   6.379   2.875
   31    HD1  TYR   4           1HD      TYR   4   0.698   7.240   0.231
   32    HD2  TYR   4           2HD      TYR   4  -2.776   7.580   2.735
   33    HE1  TYR   4           1HE      TYR   4  -0.095   9.157  -1.128
   34    HE2  TYR   4           2HE      TYR   4  -3.568   9.494   1.376
   35    HH   TYR   4           HH       TYR   4  -3.094  10.227  -1.218
   36    H    LEU   5           H        LEU   5   1.858   5.192   2.780
   37    HA   LEU   5           HA       LEU   5   3.172   2.801   2.816
   38   1HB   LEU   5          2HB       LEU   5   2.726   4.976   4.807
   39   2HB   LEU   5          1HB       LEU   5   3.600   3.542   5.342
   40    HG   LEU   5           HG       LEU   5   4.677   4.168   2.823
   41   1HD1  LEU   5          1HD1      LEU   5   5.207   6.638   4.252
   42   2HD1  LEU   5          2HD1      LEU   5   3.491   6.484   3.876
   43   3HD1  LEU   5          3HD1      LEU   5   4.687   6.407   2.583
   44   1HD2  LEU   5          1HD2      LEU   5   5.922   5.053   5.418
   45   2HD2  LEU   5          2HD2      LEU   5   6.689   4.293   4.023
   46   3HD2  LEU   5          3HD2      LEU   5   5.675   3.336   5.102
   47    H    PHE   6           H        PHE   6   3.233   0.959   4.167
   48    HA   PHE   6           HA       PHE   6   2.131  -0.942   5.054
   49   1HB   PHE   6          2HB       PHE   6   1.409   1.284   6.982
   50   2HB   PHE   6          1HB       PHE   6   1.561  -0.431   7.379
   51    HD1  PHE   6           1HD      PHE   6   3.246   2.530   7.730
   52    HD2  PHE   6           2HD      PHE   6   3.882  -1.423   6.173
   53    HE1  PHE   6           1HE      PHE   6   5.697   2.811   8.009
   54    HE2  PHE   6           2HE      PHE   6   6.328  -1.142   6.455
   55    HZ   PHE   6           HZ       PHE   6   7.235   0.974   7.366
   56    H    GLY   7           H        GLY   7   0.447   0.482   3.086
   57   1HA   GLY   7          2HA       GLY   7  -2.261   0.410   4.268
   58   2HA   GLY   7          1HA       GLY   7  -1.873   0.834   2.599
   59    H    GLY   8           H        GLY   8  -3.501  -1.427   4.260
   60   1HA   GLY   8          2HA       GLY   8  -2.684  -3.979   3.612
   61   2HA   GLY   8          1HA       GLY   8  -4.378  -3.493   3.494
   62    H    CYS   9           H        CYS   9  -1.689  -4.551   1.711
   63    HA   CYS   9           HA       CYS   9  -3.061  -3.791  -0.844
   64   1HB   CYS   9          2HB       CYS   9  -0.941  -3.202  -1.716
   65   2HB   CYS   9          1HB       CYS   9  -1.008  -2.511  -0.093
   66    H    LYS  10           H        LYS  10  -2.700  -5.169  -2.600
   67    HA   LYS  10           HA       LYS  10  -1.752  -7.936  -1.941
   68   1HB   LYS  10          2HB       LYS  10  -4.340  -7.005  -2.594
   69   2HB   LYS  10          1HB       LYS  10  -3.736  -7.783  -4.058
   70   1HG   LYS  10          2HG       LYS  10  -3.534  -9.860  -3.039
   71   2HG   LYS  10          1HG       LYS  10  -3.350  -9.165  -1.427
   72   1HD   LYS  10          2HD       LYS  10  -5.913  -9.195  -3.050
   73   2HD   LYS  10          1HD       LYS  10  -5.559 -10.234  -1.669
   74   1HE   LYS  10          2HE       LYS  10  -5.059  -7.501  -0.915
   75   2HE   LYS  10          1HE       LYS  10  -6.692  -7.631  -1.602
   76   1HZ   LYS  10          1HZ       LYS  10  -6.262  -8.277   0.881
   77   2HZ   LYS  10          2HZ       LYS  10  -5.737  -9.742   0.201
   78   3HZ   LYS  10          3HZ       LYS  10  -7.321  -9.194  -0.073
   79    H    THR  11           H        THR  11  -1.281  -5.152  -3.739
   80    HA   THR  11           HA       THR  11   0.566  -6.503  -5.588
   81    HB   THR  11           HB       THR  11  -0.896  -5.034  -7.395
   82    HG1  THR  11           1HG      THR  11  -2.885  -6.415  -6.041
   83   1HG2  THR  11          1HG2      THR  11  -1.702  -7.186  -8.200
   84   2HG2  THR  11          2HG2      THR  11  -1.412  -7.918  -6.622
   85   3HG2  THR  11          3HG2      THR  11  -0.052  -7.375  -7.604
   86    H    THR  12           H        THR  12   1.773  -4.826  -6.891
   87    HA   THR  12           HA       THR  12   2.516  -2.562  -5.252
   88    HB   THR  12           HB       THR  12   3.118  -3.506  -8.062
   89    HG1  THR  12           1HG      THR  12   4.725  -4.444  -7.093
   90   1HG2  THR  12          1HG2      THR  12   3.732  -0.921  -6.752
   91   2HG2  THR  12          2HG2      THR  12   3.651  -1.325  -8.468
   92   3HG2  THR  12          3HG2      THR  12   5.094  -1.721  -7.535
   93    H    ALA  13           H        ALA  13   0.583  -2.900  -8.230
   94    HA   ALA  13           HA       ALA  13   0.198  -0.064  -8.641
   95   1HB   ALA  13          1HB       ALA  13  -1.935  -1.606  -9.732
   96   2HB   ALA  13          2HB       ALA  13  -0.473  -2.589  -9.833
   97   3HB   ALA  13          3HB       ALA  13  -0.513  -0.988 -10.572
   98    H    ASP  14           H        ASP  14  -0.904  -2.005  -6.157
   99    HA   ASP  14           HA       ASP  14  -3.629  -0.918  -5.973
  100   1HB   ASP  14          2HB       ASP  14  -1.877  -2.882  -4.578
  101   2HB   ASP  14          1HB       ASP  14  -3.177  -2.166  -3.624
  102    H    CYS  15           H        CYS  15  -0.584   0.341  -5.267
  103    HA   CYS  15           HA       CYS  15  -1.584   1.836  -2.872
  104   1HB   CYS  15          2HB       CYS  15   1.215   2.087  -3.895
  105   2HB   CYS  15          1HB       CYS  15   0.633   2.044  -2.237
  106    H    CYS  16           H        CYS  16  -0.336   4.142  -2.922
  107    HA   CYS  16           HA       CYS  16  -1.601   5.687  -5.031
  108   1HB   CYS  16          2HB       CYS  16   0.356   6.273  -2.791
  109   2HB   CYS  16          1HB       CYS  16  -0.312   7.532  -3.830
  110    H    LYS  17           H        LYS  17   0.305   7.602  -5.667
  111    HA   LYS  17           HA       LYS  17   1.954   6.131  -7.618
  112   1HB   LYS  17          2HB       LYS  17   0.535   8.490  -7.601
  113   2HB   LYS  17          1HB       LYS  17   2.192   9.061  -7.402
  114   1HG   LYS  17          2HG       LYS  17   2.781   7.489  -9.358
  115   2HG   LYS  17          1HG       LYS  17   1.042   7.411  -9.654
  116   1HD   LYS  17          2HD       LYS  17   1.512  10.129  -9.322
  117   2HD   LYS  17          1HD       LYS  17   2.925   9.578 -10.222
  118   1HE   LYS  17          2HE       LYS  17   1.578   8.703 -11.999
  119   2HE   LYS  17          1HE       LYS  17   0.094   8.853 -11.035
  120   1HZ   LYS  17          1HZ       LYS  17   0.528  10.719 -12.651
  121   2HZ   LYS  17          2HZ       LYS  17   1.839  11.165 -11.666
  122   3HZ   LYS  17          3HZ       LYS  17   0.258  11.191 -11.044
  123    H    HIS  18           H        HIS  18   2.771   5.732  -4.938
  124    HA   HIS  18           HA       HIS  18   5.580   6.590  -5.123
  125   1HB   HIS  18          2HB       HIS  18   4.439   7.285  -2.486
  126   2HB   HIS  18          1HB       HIS  18   5.599   8.170  -3.469
  127    HD1  HIS  18           1HD      HIS  18   4.728  10.186  -4.690
  128    HD2  HIS  18           2HD      HIS  18   1.643   7.689  -3.418
  129    HE1  HIS  18           1HE      HIS  18   2.566  11.400  -5.202
  130    H    LEU  19           H        LEU  19   3.011   4.958  -3.324
  131    HA   LEU  19           HA       LEU  19   4.796   3.489  -1.569
  132   1HB   LEU  19          2HB       LEU  19   1.886   3.394  -2.344
  133   2HB   LEU  19          1HB       LEU  19   2.579   2.240  -1.203
  134    HG   LEU  19           HG       LEU  19   1.645   4.110   0.036
  135   1HD1  LEU  19          1HD1      LEU  19   4.111   3.098   0.409
  136   2HD1  LEU  19          2HD1      LEU  19   3.421   4.336   1.458
  137   3HD1  LEU  19          3HD1      LEU  19   4.531   4.793   0.165
  138   1HD2  LEU  19          1HD2      LEU  19   1.900   5.705  -1.946
  139   2HD2  LEU  19          2HD2      LEU  19   3.574   5.907  -1.441
  140   3HD2  LEU  19          3HD2      LEU  19   2.264   6.384  -0.362
  141    H    ALA  20           H        ALA  20   4.976   1.131  -1.588
  142    HA   ALA  20           HA       ALA  20   4.598  -0.177  -4.250
  143   1HB   ALA  20          1HB       ALA  20   6.922   0.823  -3.846
  144   2HB   ALA  20          2HB       ALA  20   6.891  -0.898  -4.230
  145   3HB   ALA  20          3HB       ALA  20   7.107  -0.372  -2.560
  146    H    CYS  21           H        CYS  21   3.025  -1.648  -3.514
  147    HA   CYS  21           HA       CYS  21   2.756  -2.859  -1.024
  148   1HB   CYS  21          2HB       CYS  21   1.184  -2.960  -2.934
  149   2HB   CYS  21          1HB       CYS  21   2.286  -4.052  -3.771
  150    H    ARG  22           H        ARG  22   4.201  -4.075   0.116
  151    HA   ARG  22           HA       ARG  22   6.323  -5.577  -1.340
  152   1HB   ARG  22          2HB       ARG  22   5.867  -4.584   1.476
  153   2HB   ARG  22          1HB       ARG  22   7.143  -5.749   1.120
  154   1HG   ARG  22          2HG       ARG  22   7.192  -3.594  -0.811
  155   2HG   ARG  22          1HG       ARG  22   7.277  -2.947   0.829
  156   1HD   ARG  22          2HD       ARG  22   9.550  -3.396   0.229
  157   2HD   ARG  22          1HD       ARG  22   9.078  -4.775   1.242
  158    HE   ARG  22           HE       ARG  22   8.498  -5.940  -0.964
  159   1HH1  ARG  22          1HH2      ARG  22   9.717  -3.022  -1.880
  160   2HH1  ARG  22          2HH2      ARG  22  11.056  -3.635  -2.793
  161   1HH2  ARG  22          1HH1      ARG  22  10.685  -6.890  -1.659
  162   2HH2  ARG  22          2HH1      ARG  22  11.604  -5.823  -2.668
  163    H    SER  23           H        SER  23   6.357  -7.809  -1.326
  164    HA   SER  23           HA       SER  23   4.036  -9.300  -0.601
  165   1HB   SER  23          2HB       SER  23   5.655 -11.219  -1.131
  166   2HB   SER  23          1HB       SER  23   5.406 -10.027  -2.404
  167    HG   SER  23           HG       SER  23   7.668 -10.691  -1.686
  168    H    ASP  24           H        ASP  24   6.977  -8.509   1.138
  169    HA   ASP  24           HA       ASP  24   6.684 -10.629   3.132
  170   1HB   ASP  24          2HB       ASP  24   8.493  -9.248   4.247
  171   2HB   ASP  24          1HB       ASP  24   8.866  -9.726   2.591
  172    H    GLY  25           H        GLY  25   4.248  -9.749   3.242
  173   1HA   GLY  25          2HA       GLY  25   3.210  -9.157   5.522
  174   2HA   GLY  25          1HA       GLY  25   4.095  -7.640   5.351
  175    H    LYS  26           H        LYS  26   3.262  -8.468   2.282
  176    HA   LYS  26           HA       LYS  26   1.716  -7.450   0.799
  177   1HB   LYS  26          2HB       LYS  26   0.081  -8.556   3.097
  178   2HB   LYS  26          1HB       LYS  26  -0.653  -7.965   1.604
  179   1HG   LYS  26          2HG       LYS  26   1.536  -9.722   0.959
  180   2HG   LYS  26          1HG       LYS  26   0.446 -10.534   2.083
  181   1HD   LYS  26          2HD       LYS  26  -0.838 -10.983   0.277
  182   2HD   LYS  26          1HD       LYS  26  -1.291  -9.279   0.323
  183   1HE   LYS  26          2HE       LYS  26   0.380  -8.691  -1.291
  184   2HE   LYS  26          1HE       LYS  26   1.166 -10.276  -1.152
  185   1HZ   LYS  26          1HZ       LYS  26  -1.633  -9.838  -2.051
  186   2HZ   LYS  26          2HZ       LYS  26  -0.824 -11.330  -1.970
  187   3HZ   LYS  26          3HZ       LYS  26  -0.326 -10.149  -3.086
  188    H    TYR  27           H        TYR  27   2.858  -5.342   1.800
  189    HA   TYR  27           HA       TYR  27   0.619  -3.553   2.651
  190   1HB   TYR  27          2HB       TYR  27   2.019  -2.662   4.446
  191   2HB   TYR  27          1HB       TYR  27   1.877  -4.407   4.632
  192    HD1  TYR  27           1HD      TYR  27   4.118  -1.626   3.798
  193    HD2  TYR  27           2HD      TYR  27   3.758  -5.896   4.080
  194    HE1  TYR  27           1HE      TYR  27   6.587  -1.842   3.686
  195    HE2  TYR  27           2HE      TYR  27   6.225  -6.113   3.968
  196    HH   TYR  27           HH       TYR  27   8.322  -3.251   3.940
  197    H    CYS  28           H        CYS  28   0.731  -1.543   1.683
  198    HA   CYS  28           HA       CYS  28   2.699  -1.106  -0.428
  199   1HB   CYS  28          2HB       CYS  28   0.331   0.351   0.738
  200   2HB   CYS  28          1HB       CYS  28   1.336   1.112  -0.490
  201    H    ALA  29           H        ALA  29   4.601  -0.024  -0.210
  202    HA   ALA  29           HA       ALA  29   4.901   2.140   1.808
  203   1HB   ALA  29          1HB       ALA  29   7.179   0.842   2.333
  204   2HB   ALA  29          2HB       ALA  29   6.230  -0.551   1.815
  205   3HB   ALA  29          3HB       ALA  29   5.687   0.427   3.178
  206    H    TRP  30           H        TRP  30   6.023   3.800   0.783
  207    HA   TRP  30           HA       TRP  30   7.158   3.304  -1.861
  208   1HB   TRP  30          2HB       TRP  30   7.545   5.757  -1.801
  209   2HB   TRP  30          1HB       TRP  30   5.895   5.333  -1.365
  210    HD1  TRP  30           HD       TRP  30   9.023   5.320   0.911
  211    HE1  TRP  30           1HE      TRP  30   8.567   6.849   2.903
  212    HE3  TRP  30           3HE      TRP  30   4.446   7.152  -0.412
  213    HZ2  TRP  30           2HZ      TRP  30   6.551   8.650   3.831
  214    HZ3  TRP  30           3HZ      TRP  30   3.286   8.783   1.045
  215    HH2  TRP  30           HH       TRP  30   4.330   9.535   3.165
  216    H    ASP  31           H        ASP  31   9.415   4.276  -2.338
  217    HA   ASP  31           HA       ASP  31  11.291   3.396  -0.170
  218   1HB   ASP  31          2HB       ASP  31  11.033   2.885  -3.059
  219   2HB   ASP  31          1HB       ASP  31  12.673   3.296  -2.554
  220    H    GLY  32           H        GLY  32  10.378   6.052  -0.131
  221   1HA   GLY  32          2HA       GLY  32  11.209   8.243  -0.044
  222   2HA   GLY  32          1HA       GLY  32  12.817   7.535  -0.209
  223    H    THR  33           H        THR  33  13.730   8.782  -1.812
  224    HA   THR  33           HA       THR  33  12.158   9.234  -4.314
  225    HB   THR  33           HB       THR  33  14.458  10.713  -4.501
  226    HG1  THR  33           1HG      THR  33  13.782  11.088  -1.839
  227   1HG2  THR  33          1HG2      THR  33  12.088  11.470  -4.730
  228   2HG2  THR  33          2HG2      THR  33  13.087  12.599  -3.814
  229   3HG2  THR  33          3HG2      THR  33  11.972  11.523  -2.971
  230    H    PHE  34           H        PHE  34  15.669   9.126  -3.933
  231    HA   PHE  34           HA       PHE  34  17.273   7.981  -5.261
  232   1HB   PHE  34          2HB       PHE  34  15.255   5.982  -4.249
  233   2HB   PHE  34          1HB       PHE  34  16.641   5.445  -5.197
  234    HD1  PHE  34           1HD      PHE  34  18.960   5.861  -4.382
  235    HD2  PHE  34           2HD      PHE  34  15.509   6.770  -1.991
  236    HE1  PHE  34           1HE      PHE  34  20.395   5.999  -2.363
  237    HE2  PHE  34           2HE      PHE  34  16.943   6.909   0.027
  238    HZ   PHE  34           HZ       PHE  34  19.386   6.523  -0.158
  Start of MODEL    3
    1   1H    THR   1          1HT       THR   1  -9.668   5.798  -6.290
    2   2H    THR   1          2HT       THR   1  -8.342   4.789  -6.623
    3   3H    THR   1          3HT       THR   1  -8.236   6.459  -6.914
    4    HA   THR   1           HA       THR   1  -7.734   6.941  -4.785
    5    HB   THR   1           HB       THR   1  -9.378   4.710  -3.669
    6    HG1  THR   1           1HG      THR   1 -10.601   7.023  -4.710
    7   1HG2  THR   1          1HG2      THR   1 -10.139   6.637  -2.213
    8   2HG2  THR   1          2HG2      THR   1  -8.986   7.652  -3.077
    9   3HG2  THR   1          3HG2      THR   1  -8.415   6.282  -2.125
   10    H    CYS   2           H        CYS   2  -6.010   6.220  -3.486
   11    HA   CYS   2           HA       CYS   2  -5.173   3.357  -3.841
   12   1HB   CYS   2          2HB       CYS   2  -2.834   4.328  -3.830
   13   2HB   CYS   2          1HB       CYS   2  -3.804   4.792  -5.228
   14    H    ARG   3           H        ARG   3  -3.069   3.263  -2.147
   15    HA   ARG   3           HA       ARG   3  -4.163   4.163   0.500
   16   1HB   ARG   3          2HB       ARG   3  -2.996   1.558  -0.479
   17   2HB   ARG   3          1HB       ARG   3  -2.970   1.962   1.238
   18   1HG   ARG   3          2HG       ARG   3  -5.572   2.571   0.470
   19   2HG   ARG   3          1HG       ARG   3  -5.211   1.095  -0.429
   20   1HD   ARG   3          2HD       ARG   3  -4.208   0.900   2.295
   21   2HD   ARG   3          1HD       ARG   3  -5.951   1.235   2.275
   22    HE   ARG   3           HE       ARG   3  -4.658  -1.054   0.850
   23   1HH1  ARG   3          1HH1      ARG   3  -6.657  -0.908   3.308
   24   2HH1  ARG   3          2HH1      ARG   3  -8.076  -1.537   2.540
   25   1HH2  ARG   3          1HH2      ARG   3  -6.800  -1.220  -0.671
   26   2HH2  ARG   3          2HH2      ARG   3  -8.157  -1.714   0.284
   27    H    TYR   4           H        TYR   4  -2.423   4.422   2.162
   28    HA   TYR   4           HA       TYR   4   0.067   5.472   0.906
   29   1HB   TYR   4          2HB       TYR   4  -1.402   5.858   3.511
   30   2HB   TYR   4          1HB       TYR   4   0.263   6.409   3.321
   31    HD1  TYR   4           1HD      TYR   4   0.810   7.950   1.344
   32    HD2  TYR   4           2HD      TYR   4  -3.199   7.137   2.656
   33    HE1  TYR   4           1HE      TYR   4   0.011   9.972   0.152
   34    HE2  TYR   4           2HE      TYR   4  -3.998   9.161   1.464
   35    HH   TYR   4           HH       TYR   4  -1.748  11.428  -0.013
   36    H    LEU   5           H        LEU   5   1.762   5.294   3.091
   37    HA   LEU   5           HA       LEU   5   3.122   2.925   2.902
   38   1HB   LEU   5          2HB       LEU   5   2.658   4.920   5.069
   39   2HB   LEU   5          1HB       LEU   5   3.504   3.438   5.511
   40    HG   LEU   5           HG       LEU   5   4.345   4.946   3.058
   41   1HD1  LEU   5          1HD1      LEU   5   6.060   6.039   4.668
   42   2HD1  LEU   5          2HD1      LEU   5   4.898   5.651   5.938
   43   3HD1  LEU   5          3HD1      LEU   5   4.435   6.720   4.614
   44   1HD2  LEU   5          1HD2      LEU   5   5.176   2.607   3.850
   45   2HD2  LEU   5          2HD2      LEU   5   6.060   3.510   5.080
   46   3HD2  LEU   5          3HD2      LEU   5   6.382   3.801   3.369
   47    H    PHE   6           H        PHE   6   3.162   0.934   4.014
   48    HA   PHE   6           HA       PHE   6   2.102  -1.025   4.791
   49   1HB   PHE   6          2HB       PHE   6   1.162   1.029   6.810
   50   2HB   PHE   6          1HB       PHE   6   1.425  -0.694   7.104
   51    HD1  PHE   6           1HD      PHE   6   3.819  -1.585   6.378
   52    HD2  PHE   6           2HD      PHE   6   2.913   2.509   7.306
   53    HE1  PHE   6           1HE      PHE   6   6.222  -1.152   6.800
   54    HE2  PHE   6           2HE      PHE   6   5.318   2.941   7.734
   55    HZ   PHE   6           HZ       PHE   6   6.972   1.111   7.472
   56    H    GLY   7           H        GLY   7   0.491   0.504   2.823
   57   1HA   GLY   7          2HA       GLY   7  -2.271   0.445   3.777
   58   2HA   GLY   7          1HA       GLY   7  -1.760   0.698   2.108
   59    H    GLY   8           H        GLY   8  -3.328  -1.467   4.099
   60   1HA   GLY   8          2HA       GLY   8  -2.492  -4.034   3.512
   61   2HA   GLY   8          1HA       GLY   8  -4.203  -3.601   3.565
   62    H    CYS   9           H        CYS   9  -1.511  -4.314   1.489
   63    HA   CYS   9           HA       CYS   9  -3.307  -4.056  -0.901
   64   1HB   CYS   9          2HB       CYS   9  -1.345  -3.310  -2.085
   65   2HB   CYS   9          1HB       CYS   9  -1.497  -2.371  -0.597
   66    H    LYS  10           H        LYS  10  -2.914  -5.529  -2.591
   67    HA   LYS  10           HA       LYS  10  -1.540  -8.068  -1.777
   68   1HB   LYS  10          2HB       LYS  10  -3.944  -8.336  -2.009
   69   2HB   LYS  10          1HB       LYS  10  -3.937  -7.469  -3.545
   70   1HG   LYS  10          2HG       LYS  10  -2.653  -9.237  -4.602
   71   2HG   LYS  10          1HG       LYS  10  -2.462 -10.072  -3.061
   72   1HD   LYS  10          2HD       LYS  10  -4.291 -11.244  -3.762
   73   2HD   LYS  10          1HD       LYS  10  -5.173  -9.840  -3.161
   74   1HE   LYS  10          2HE       LYS  10  -5.969 -10.239  -5.407
   75   2HE   LYS  10          1HE       LYS  10  -4.886  -8.836  -5.510
   76   1HZ   LYS  10          1HZ       LYS  10  -4.471 -10.734  -7.137
   77   2HZ   LYS  10          2HZ       LYS  10  -3.876 -11.600  -5.802
   78   3HZ   LYS  10          3HZ       LYS  10  -3.133 -10.148  -6.276
   79    H    THR  11           H        THR  11  -1.434  -5.350  -3.762
   80    HA   THR  11           HA       THR  11   0.645  -6.580  -5.483
   81    HB   THR  11           HB       THR  11  -0.684  -5.418  -7.447
   82    HG1  THR  11           1HG      THR  11  -3.026  -5.977  -6.716
   83   1HG2  THR  11          1HG2      THR  11  -2.008  -7.901  -6.426
   84   2HG2  THR  11          2HG2      THR  11  -0.288  -7.956  -6.807
   85   3HG2  THR  11          3HG2      THR  11  -1.453  -7.517  -8.055
   86    H    THR  12           H        THR  12   1.816  -4.840  -6.719
   87    HA   THR  12           HA       THR  12   2.376  -2.538  -5.080
   88    HB   THR  12           HB       THR  12   3.252  -2.133  -7.756
   89    HG1  THR  12           1HG      THR  12   4.285  -4.394  -7.741
   90   1HG2  THR  12          1HG2      THR  12   5.285  -3.445  -6.358
   91   2HG2  THR  12          2HG2      THR  12   4.318  -2.669  -5.105
   92   3HG2  THR  12          3HG2      THR  12   5.006  -1.704  -6.411
   93    H    ALA  13           H        ALA  13   0.435  -2.995  -8.031
   94    HA   ALA  13           HA       ALA  13  -0.110  -0.222  -8.533
   95   1HB   ALA  13          1HB       ALA  13  -0.685  -1.499 -10.340
   96   2HB   ALA  13          2HB       ALA  13  -2.252  -1.596  -9.536
   97   3HB   ALA  13          3HB       ALA  13  -1.079  -2.898  -9.343
   98    H    ASP  14           H        ASP  14  -1.092  -2.191  -5.951
   99    HA   ASP  14           HA       ASP  14  -3.755  -1.001  -5.585
  100   1HB   ASP  14          2HB       ASP  14  -3.121  -3.340  -4.967
  101   2HB   ASP  14          1HB       ASP  14  -2.023  -2.686  -3.751
  102    H    CYS  15           H        CYS  15  -0.784   0.341  -5.261
  103    HA   CYS  15           HA       CYS  15  -1.482   1.763  -2.712
  104   1HB   CYS  15          2HB       CYS  15   1.220   1.961  -3.964
  105   2HB   CYS  15          1HB       CYS  15   0.786   1.897  -2.264
  106    H    CYS  16           H        CYS  16  -0.279   4.039  -2.815
  107    HA   CYS  16           HA       CYS  16  -1.576   5.583  -4.911
  108   1HB   CYS  16          2HB       CYS  16   0.320   6.149  -2.613
  109   2HB   CYS  16          1HB       CYS  16  -0.220   7.428  -3.702
  110    H    LYS  17           H        LYS  17   0.207   7.453  -5.753
  111    HA   LYS  17           HA       LYS  17   1.929   5.902  -7.560
  112   1HB   LYS  17          2HB       LYS  17   0.436   8.179  -7.746
  113   2HB   LYS  17          1HB       LYS  17   2.047   8.859  -7.505
  114   1HG   LYS  17          2HG       LYS  17   2.696   7.023  -9.326
  115   2HG   LYS  17          1HG       LYS  17   1.000   7.218  -9.773
  116   1HD   LYS  17          2HD       LYS  17   2.085   9.820  -9.329
  117   2HD   LYS  17          1HD       LYS  17   3.197   8.946 -10.383
  118   1HE   LYS  17          2HE       LYS  17   1.770   9.493 -12.073
  119   2HE   LYS  17          1HE       LYS  17   0.679   8.274 -11.386
  120   1HZ   LYS  17          1HZ       LYS  17   0.818  11.139 -10.608
  121   2HZ   LYS  17          2HZ       LYS  17  -0.164   9.974  -9.858
  122   3HZ   LYS  17          3HZ       LYS  17  -0.438  10.403 -11.478
  123    H    HIS  18           H        HIS  18   2.844   5.610  -4.931
  124    HA   HIS  18           HA       HIS  18   5.571   6.698  -5.184
  125   1HB   HIS  18          2HB       HIS  18   3.815   7.379  -2.802
  126   2HB   HIS  18          1HB       HIS  18   5.488   7.879  -3.037
  127    HD1  HIS  18           1HD      HIS  18   5.881   9.365  -5.321
  128    HD2  HIS  18           2HD      HIS  18   1.987   9.178  -3.845
  129    HE1  HIS  18           1HE      HIS  18   4.620  11.289  -6.381
  130    H    LEU  19           H        LEU  19   3.211   4.855  -3.270
  131    HA   LEU  19           HA       LEU  19   5.249   3.516  -1.678
  132   1HB   LEU  19          2HB       LEU  19   2.314   2.962  -2.135
  133   2HB   LEU  19          1HB       LEU  19   3.295   2.278  -0.836
  134    HG   LEU  19           HG       LEU  19   3.565   5.171  -0.971
  135   1HD1  LEU  19          1HD1      LEU  19   1.353   5.838  -0.502
  136   2HD1  LEU  19          2HD1      LEU  19   0.832   4.183  -0.187
  137   3HD1  LEU  19          3HD1      LEU  19   1.170   4.702  -1.838
  138   1HD2  LEU  19          1HD2      LEU  19   3.207   4.978   1.400
  139   2HD2  LEU  19          2HD2      LEU  19   4.147   3.567   0.919
  140   3HD2  LEU  19          3HD2      LEU  19   2.415   3.413   1.214
  141    H    ALA  20           H        ALA  20   5.207   1.062  -1.596
  142    HA   ALA  20           HA       ALA  20   4.893  -0.194  -4.285
  143   1HB   ALA  20          1HB       ALA  20   7.308   0.673  -3.082
  144   2HB   ALA  20          2HB       ALA  20   7.147  -0.353  -4.507
  145   3HB   ALA  20          3HB       ALA  20   7.289  -1.082  -2.909
  146    H    CYS  21           H        CYS  21   3.271  -1.628  -3.653
  147    HA   CYS  21           HA       CYS  21   2.837  -2.809  -1.166
  148   1HB   CYS  21          2HB       CYS  21   1.396  -2.816  -3.237
  149   2HB   CYS  21          1HB       CYS  21   2.435  -4.082  -3.890
  150    H    ARG  22           H        ARG  22   4.591  -3.702  -0.061
  151    HA   ARG  22           HA       ARG  22   6.543  -5.441  -1.397
  152   1HB   ARG  22          2HB       ARG  22   6.165  -3.999   1.104
  153   2HB   ARG  22          1HB       ARG  22   6.776  -5.628   1.394
  154   1HG   ARG  22          2HG       ARG  22   8.001  -3.816  -0.690
  155   2HG   ARG  22          1HG       ARG  22   8.534  -3.799   0.991
  156   1HD   ARG  22          2HD       ARG  22   9.455  -5.932   0.864
  157   2HD   ARG  22          1HD       ARG  22   8.346  -6.443  -0.426
  158    HE   ARG  22           HE       ARG  22   9.710  -4.460  -1.681
  159   1HH1  ARG  22          1HH2      ARG  22  10.483  -7.448  -0.215
  160   2HH1  ARG  22          2HH2      ARG  22  12.135  -7.446  -0.739
  161   1HH2  ARG  22          1HH1      ARG  22  11.963  -4.277  -2.136
  162   2HH2  ARG  22          2HH1      ARG  22  12.972  -5.649  -1.827
  163    H    SER  23           H        SER  23   6.450  -7.668  -1.440
  164    HA   SER  23           HA       SER  23   4.071  -9.074  -0.759
  165   1HB   SER  23          2HB       SER  23   6.851 -10.192  -1.166
  166   2HB   SER  23          1HB       SER  23   5.319 -10.982  -1.526
  167    HG   SER  23           HG       SER  23   6.764  -9.499  -3.129
  168    H    ASP  24           H        ASP  24   6.740  -8.083   1.168
  169    HA   ASP  24           HA       ASP  24   6.629 -10.264   3.111
  170   1HB   ASP  24          2HB       ASP  24   8.252  -8.010   2.452
  171   2HB   ASP  24          1HB       ASP  24   7.762  -7.830   4.137
  172    H    GLY  25           H        GLY  25   4.141  -9.985   3.278
  173   1HA   GLY  25          2HA       GLY  25   2.748  -9.590   5.284
  174   2HA   GLY  25          1HA       GLY  25   3.567  -8.038   5.471
  175    H    LYS  26           H        LYS  26   3.102  -8.435   2.219
  176    HA   LYS  26           HA       LYS  26   1.616  -7.384   0.705
  177   1HB   LYS  26          2HB       LYS  26  -0.401  -8.124   2.848
  178   2HB   LYS  26          1HB       LYS  26  -0.692  -7.978   1.115
  179   1HG   LYS  26          2HG       LYS  26   1.469  -9.818   1.523
  180   2HG   LYS  26          1HG       LYS  26   0.119 -10.294   2.555
  181   1HD   LYS  26          2HD       LYS  26  -1.156  -9.638   0.201
  182   2HD   LYS  26          1HD       LYS  26   0.345 -10.363  -0.376
  183   1HE   LYS  26          2HE       LYS  26  -0.128 -12.439   0.588
  184   2HE   LYS  26          1HE       LYS  26  -1.204 -11.735   1.811
  185   1HZ   LYS  26          1HZ       LYS  26  -1.741 -12.366  -0.987
  186   2HZ   LYS  26          2HZ       LYS  26  -2.432 -10.936  -0.383
  187   3HZ   LYS  26          3HZ       LYS  26  -2.779 -12.428   0.353
  188    H    TYR  27           H        TYR  27   2.822  -5.349   1.717
  189    HA   TYR  27           HA       TYR  27   0.683  -3.473   2.636
  190   1HB   TYR  27          2HB       TYR  27   1.970  -2.805   4.513
  191   2HB   TYR  27          1HB       TYR  27   2.130  -4.557   4.491
  192    HD1  TYR  27           1HD      TYR  27   3.862  -1.376   4.151
  193    HD2  TYR  27           2HD      TYR  27   4.188  -5.613   3.527
  194    HE1  TYR  27           1HE      TYR  27   6.326  -1.159   3.960
  195    HE2  TYR  27           2HE      TYR  27   6.651  -5.397   3.337
  196    HH   TYR  27           HH       TYR  27   8.418  -3.720   4.188
  197    H    CYS  28           H        CYS  28   0.879  -1.438   1.676
  198    HA   CYS  28           HA       CYS  28   2.921  -1.113  -0.412
  199   1HB   CYS  28          2HB       CYS  28   0.537   0.457   0.577
  200   2HB   CYS  28          1HB       CYS  28   1.570   1.041  -0.727
  201    H    ALA  29           H        ALA  29   4.817  -0.063  -0.126
  202    HA   ALA  29           HA       ALA  29   4.991   2.180   1.835
  203   1HB   ALA  29          1HB       ALA  29   7.386   0.683   2.066
  204   2HB   ALA  29          2HB       ALA  29   6.074  -0.493   2.134
  205   3HB   ALA  29          3HB       ALA  29   6.118   0.847   3.281
  206    H    TRP  30           H        TRP  30   6.005   3.881   0.775
  207    HA   TRP  30           HA       TRP  30   7.187   3.433  -1.853
  208   1HB   TRP  30          2HB       TRP  30   7.477   5.926  -1.736
  209   2HB   TRP  30          1HB       TRP  30   5.831   5.385  -1.418
  210    HD1  TRP  30           HD       TRP  30   8.895   5.626   0.928
  211    HE1  TRP  30           1HE      TRP  30   8.215   6.973   2.999
  212    HE3  TRP  30           3HE      TRP  30   4.099   6.838  -0.344
  213    HZ2  TRP  30           2HZ      TRP  30   5.946   8.396   3.998
  214    HZ3  TRP  30           3HZ      TRP  30   2.705   8.198   1.187
  215    HH2  TRP  30           HH       TRP  30   3.621   8.978   3.355
  216    H    ASP  31           H        ASP  31   9.359   4.505  -2.361
  217    HA   ASP  31           HA       ASP  31  11.323   3.743  -0.233
  218   1HB   ASP  31          2HB       ASP  31  11.191   2.412  -2.372
  219   2HB   ASP  31          1HB       ASP  31  11.673   3.868  -3.241
  220    H    GLY  32           H        GLY  32  10.302   6.334  -0.054
  221   1HA   GLY  32          2HA       GLY  32  11.618   8.343   0.431
  222   2HA   GLY  32          1HA       GLY  32  12.647   7.948  -0.946
  223    H    THR  33           H        THR  33  12.288   9.247  -2.674
  224    HA   THR  33           HA       THR  33   9.485  10.189  -3.173
  225    HB   THR  33           HB       THR  33  12.060  11.736  -3.583
  226    HG1  THR  33           1HG      THR  33  11.635  11.348  -1.379
  227   1HG2  THR  33          1HG2      THR  33   9.344  12.127  -4.420
  228   2HG2  THR  33          2HG2      THR  33  10.742  13.162  -4.709
  229   3HG2  THR  33          3HG2      THR  33   9.770  13.380  -3.255
  230    H    PHE  34           H        PHE  34  12.654   9.389  -4.549
  231    HA   PHE  34           HA       PHE  34  13.270   8.827  -6.769
  232   1HB   PHE  34          2HB       PHE  34  10.621   7.622  -6.108
  233   2HB   PHE  34          1HB       PHE  34  11.145   7.522  -7.788
  234    HD1  PHE  34           1HD      PHE  34  11.439   5.088  -7.716
  235    HD2  PHE  34           2HD      PHE  34  13.573   7.673  -5.029
  236    HE1  PHE  34           1HE      PHE  34  12.963   3.221  -7.133
  237    HE2  PHE  34           2HE      PHE  34  15.098   5.806  -4.445
  238    HZ   PHE  34           HZ       PHE  34  14.793   3.580  -5.497
  Start of MODEL    4
    1   1H    THR   1          1HT       THR   1  -6.940   6.546  -6.151
    2   2H    THR   1          2HT       THR   1  -8.561   7.051  -6.162
    3   3H    THR   1          3HT       THR   1  -8.140   5.521  -6.770
    4    HA   THR   1           HA       THR   1  -8.151   6.420  -3.942
    5    HB   THR   1           HB       THR   1  -9.331   3.932  -5.144
    6    HG1  THR   1           1HG      THR   1 -11.216   5.259  -5.553
    7   1HG2  THR   1          1HG2      THR   1 -11.158   4.795  -3.440
    8   2HG2  THR   1          2HG2      THR   1  -9.808   5.731  -2.797
    9   3HG2  THR   1          3HG2      THR   1  -9.713   3.970  -2.855
   10    H    CYS   2           H        CYS   2  -5.935   6.019  -3.420
   11    HA   CYS   2           HA       CYS   2  -5.054   3.170  -3.764
   12   1HB   CYS   2          2HB       CYS   2  -2.747   4.207  -3.751
   13   2HB   CYS   2          1HB       CYS   2  -3.732   4.636  -5.145
   14    H    ARG   3           H        ARG   3  -2.981   3.025  -2.084
   15    HA   ARG   3           HA       ARG   3  -4.015   3.958   0.573
   16   1HB   ARG   3          2HB       ARG   3  -4.046   1.400  -0.400
   17   2HB   ARG   3          1HB       ARG   3  -2.490   1.427   0.431
   18   1HG   ARG   3          2HG       ARG   3  -3.455   1.522   2.479
   19   2HG   ARG   3          1HG       ARG   3  -4.660   2.696   1.951
   20   1HD   ARG   3          2HD       ARG   3  -5.229   0.209   0.644
   21   2HD   ARG   3          1HD       ARG   3  -5.041  -0.099   2.383
   22    HE   ARG   3           HE       ARG   3  -6.572   2.312   1.909
   23   1HH1  ARG   3          1HH2      ARG   3  -6.972  -0.052   3.896
   24   2HH1  ARG   3          2HH2      ARG   3  -8.533  -0.607   3.388
   25   1HH2  ARG   3          1HH1      ARG   3  -8.473   1.135   0.391
   26   2HH2  ARG   3          2HH1      ARG   3  -9.382   0.064   1.404
   27    H    TYR   4           H        TYR   4  -2.450   4.824   1.929
   28    HA   TYR   4           HA       TYR   4   0.162   5.469   0.806
   29   1HB   TYR   4          2HB       TYR   4  -0.782   5.783   3.664
   30   2HB   TYR   4          1HB       TYR   4   0.362   6.795   2.782
   31    HD1  TYR   4           1HD      TYR   4  -1.380   6.670   0.152
   32    HD2  TYR   4           2HD      TYR   4  -2.210   7.710   4.237
   33    HE1  TYR   4           1HE      TYR   4  -3.241   8.127  -0.597
   34    HE2  TYR   4           2HE      TYR   4  -4.072   9.167   3.487
   35    HH   TYR   4           HH       TYR   4  -4.514  10.036   0.204
   36    H    LEU   5           H        LEU   5   1.759   5.287   3.085
   37    HA   LEU   5           HA       LEU   5   3.115   2.895   2.899
   38   1HB   LEU   5          2HB       LEU   5   2.673   4.938   5.025
   39   2HB   LEU   5          1HB       LEU   5   3.515   3.460   5.490
   40    HG   LEU   5           HG       LEU   5   4.820   4.004   3.190
   41   1HD1  LEU   5          1HD1      LEU   5   3.264   6.290   3.553
   42   2HD1  LEU   5          2HD1      LEU   5   4.685   6.156   2.518
   43   3HD1  LEU   5          3HD1      LEU   5   4.849   6.754   4.169
   44   1HD2  LEU   5          1HD2      LEU   5   5.290   4.238   5.997
   45   2HD2  LEU   5          2HD2      LEU   5   6.024   5.637   5.214
   46   3HD2  LEU   5          3HD2      LEU   5   6.479   4.006   4.715
   47    H    PHE   6           H        PHE   6   3.227   1.009   4.244
   48    HA   PHE   6           HA       PHE   6   2.138  -0.976   4.942
   49   1HB   PHE   6          2HB       PHE   6   1.323   1.100   6.995
   50   2HB   PHE   6          1HB       PHE   6   1.513  -0.634   7.282
   51    HD1  PHE   6           1HD      PHE   6   3.856  -1.574   6.252
   52    HD2  PHE   6           2HD      PHE   6   3.137   2.423   7.650
   53    HE1  PHE   6           1HE      PHE   6   6.292  -1.253   6.577
   54    HE2  PHE   6           2HE      PHE   6   5.575   2.743   7.981
   55    HZ   PHE   6           HZ       PHE   6   7.152   0.906   7.434
   56    H    GLY   7           H        GLY   7   0.489   0.448   2.999
   57   1HA   GLY   7          2HA       GLY   7  -2.254   0.432   4.041
   58   2HA   GLY   7          1HA       GLY   7  -1.788   0.672   2.356
   59    H    GLY   8           H        GLY   8  -3.689  -1.288   3.923
   60   1HA   GLY   8          2HA       GLY   8  -2.745  -3.942   3.574
   61   2HA   GLY   8          1HA       GLY   8  -4.448  -3.483   3.557
   62    H    CYS   9           H        CYS   9  -1.665  -4.198   1.581
   63    HA   CYS   9           HA       CYS   9  -3.395  -4.045  -0.870
   64   1HB   CYS   9          2HB       CYS   9  -1.459  -3.190  -2.002
   65   2HB   CYS   9          1HB       CYS   9  -1.666  -2.274  -0.506
   66    H    LYS  10           H        LYS  10  -2.850  -5.511  -2.538
   67    HA   LYS  10           HA       LYS  10  -1.341  -7.947  -1.654
   68   1HB   LYS  10          2HB       LYS  10  -3.956  -7.913  -1.959
   69   2HB   LYS  10          1HB       LYS  10  -3.573  -7.935  -3.681
   70   1HG   LYS  10          2HG       LYS  10  -2.864 -10.093  -3.623
   71   2HG   LYS  10          1HG       LYS  10  -2.051  -9.883  -2.072
   72   1HD   LYS  10          2HD       LYS  10  -4.185 -10.032  -0.892
   73   2HD   LYS  10          1HD       LYS  10  -5.051 -10.141  -2.425
   74   1HE   LYS  10          2HE       LYS  10  -4.155 -12.297  -2.904
   75   2HE   LYS  10          1HE       LYS  10  -2.910 -12.139  -1.650
   76   1HZ   LYS  10          1HZ       LYS  10  -5.073 -11.682  -0.205
   77   2HZ   LYS  10          2HZ       LYS  10  -4.447 -13.245  -0.430
   78   3HZ   LYS  10          3HZ       LYS  10  -5.757 -12.707  -1.369
   79    H    THR  11           H        THR  11  -1.482  -5.323  -3.771
   80    HA   THR  11           HA       THR  11   0.512  -6.615  -5.581
   81    HB   THR  11           HB       THR  11  -0.887  -5.287  -7.418
   82    HG1  THR  11           1HG      THR  11  -2.399  -4.477  -5.956
   83   1HG2  THR  11          1HG2      THR  11  -1.377  -7.365  -8.162
   84   2HG2  THR  11          2HG2      THR  11  -2.324  -7.748  -6.725
   85   3HG2  THR  11          3HG2      THR  11  -0.571  -7.936  -6.702
   86    H    THR  12           H        THR  12   1.775  -4.988  -6.777
   87    HA   THR  12           HA       THR  12   2.484  -2.695  -5.187
   88    HB   THR  12           HB       THR  12   3.482  -2.328  -7.768
   89    HG1  THR  12           1HG      THR  12   3.658  -5.069  -7.287
   90   1HG2  THR  12          1HG2      THR  12   5.403  -3.818  -6.702
   91   2HG2  THR  12          2HG2      THR  12   4.410  -3.653  -5.254
   92   3HG2  THR  12          3HG2      THR  12   5.037  -2.216  -6.061
   93    H    ALA  13           H        ALA  13   0.506  -3.068  -8.129
   94    HA   ALA  13           HA       ALA  13   0.165  -0.228  -8.586
   95   1HB   ALA  13          1HB       ALA  13  -1.925  -1.403  -9.839
   96   2HB   ALA  13          2HB       ALA  13  -0.917  -2.823  -9.562
   97   3HB   ALA  13          3HB       ALA  13  -0.282  -1.456 -10.477
   98    H    ASP  14           H        ASP  14  -0.915  -2.092  -6.046
   99    HA   ASP  14           HA       ASP  14  -3.630  -0.970  -5.854
  100   1HB   ASP  14          2HB       ASP  14  -1.993  -3.071  -4.662
  101   2HB   ASP  14          1HB       ASP  14  -2.916  -2.189  -3.445
  102    H    CYS  15           H        CYS  15  -0.508   0.167  -5.105
  103    HA   CYS  15           HA       CYS  15  -1.464   1.731  -2.749
  104   1HB   CYS  15          2HB       CYS  15   1.303   1.884  -3.902
  105   2HB   CYS  15          1HB       CYS  15   0.791   2.024  -2.227
  106    H    CYS  16           H        CYS  16  -0.175   4.023  -2.861
  107    HA   CYS  16           HA       CYS  16  -1.524   5.551  -4.942
  108   1HB   CYS  16          2HB       CYS  16   0.416   6.151  -2.696
  109   2HB   CYS  16          1HB       CYS  16  -0.215   7.413  -3.753
  110    H    LYS  17           H        LYS  17   0.323   7.498  -5.628
  111    HA   LYS  17           HA       LYS  17   1.961   6.059  -7.603
  112   1HB   LYS  17          2HB       LYS  17   0.507   8.201  -7.868
  113   2HB   LYS  17          1HB       LYS  17   1.877   9.035  -7.134
  114   1HG   LYS  17          2HG       LYS  17   3.363   8.088  -8.889
  115   2HG   LYS  17          1HG       LYS  17   1.956   7.342  -9.648
  116   1HD   LYS  17          2HD       LYS  17   1.521  10.175  -9.109
  117   2HD   LYS  17          1HD       LYS  17   2.920   9.911 -10.150
  118   1HE   LYS  17          2HE       LYS  17   1.198   8.185 -11.315
  119   2HE   LYS  17          1HE       LYS  17   0.042   9.379 -10.691
  120   1HZ   LYS  17          1HZ       LYS  17   0.691  10.350 -12.664
  121   2HZ   LYS  17          2HZ       LYS  17   2.285   9.774 -12.558
  122   3HZ   LYS  17          3HZ       LYS  17   1.778  11.063 -11.574
  123    H    HIS  18           H        HIS  18   2.821   5.675  -4.922
  124    HA   HIS  18           HA       HIS  18   5.633   6.504  -5.168
  125   1HB   HIS  18          2HB       HIS  18   4.006   7.366  -2.753
  126   2HB   HIS  18          1HB       HIS  18   5.688   7.765  -3.095
  127    HD1  HIS  18           1HD      HIS  18   6.110   9.380  -5.188
  128    HD2  HIS  18           2HD      HIS  18   2.141   9.080  -3.946
  129    HE1  HIS  18           1HE      HIS  18   4.874  11.313  -6.260
  130    H    LEU  19           H        LEU  19   3.071   4.982  -3.254
  131    HA   LEU  19           HA       LEU  19   4.871   3.437  -1.576
  132   1HB   LEU  19          2HB       LEU  19   1.924   3.513  -2.200
  133   2HB   LEU  19          1HB       LEU  19   2.589   2.255  -1.168
  134    HG   LEU  19           HG       LEU  19   1.896   3.961   0.321
  135   1HD1  LEU  19          1HD1      LEU  19   4.717   4.866   0.056
  136   2HD1  LEU  19          2HD1      LEU  19   4.436   3.146   0.330
  137   3HD1  LEU  19          3HD1      LEU  19   3.834   4.333   1.487
  138   1HD2  LEU  19          1HD2      LEU  19   1.538   5.752  -1.286
  139   2HD2  LEU  19          2HD2      LEU  19   3.273   5.905  -1.550
  140   3HD2  LEU  19          3HD2      LEU  19   2.579   6.341   0.008
  141    H    ALA  20           H        ALA  20   5.239   1.176  -1.717
  142    HA   ALA  20           HA       ALA  20   4.567  -0.116  -4.335
  143   1HB   ALA  20          1HB       ALA  20   7.030  -1.084  -3.217
  144   2HB   ALA  20          2HB       ALA  20   7.083   0.678  -3.242
  145   3HB   ALA  20          3HB       ALA  20   6.791  -0.215  -4.734
  146    H    CYS  21           H        CYS  21   3.007  -1.566  -3.615
  147    HA   CYS  21           HA       CYS  21   2.693  -2.750  -1.125
  148   1HB   CYS  21          2HB       CYS  21   1.235  -2.822  -3.194
  149   2HB   CYS  21          1HB       CYS  21   2.270  -4.120  -3.791
  150    H    ARG  22           H        ARG  22   4.467  -3.597  -0.039
  151    HA   ARG  22           HA       ARG  22   6.452  -5.273  -1.413
  152   1HB   ARG  22          2HB       ARG  22   5.955  -4.294   1.405
  153   2HB   ARG  22          1HB       ARG  22   7.270  -5.409   1.031
  154   1HG   ARG  22          2HG       ARG  22   6.922  -2.858  -0.534
  155   2HG   ARG  22          1HG       ARG  22   7.792  -2.867   1.000
  156   1HD   ARG  22          2HD       ARG  22   8.456  -4.654  -1.369
  157   2HD   ARG  22          1HD       ARG  22   9.350  -3.190  -0.911
  158    HE   ARG  22           HE       ARG  22   9.068  -4.905   1.376
  159   1HH1  ARG  22          1HH2      ARG  22   9.971  -6.637  -1.047
  160   2HH1  ARG  22          2HH2      ARG  22  11.686  -6.628  -0.801
  161   1HH2  ARG  22          1HH1      ARG  22  11.615  -3.997   1.457
  162   2HH2  ARG  22          2HH1      ARG  22  12.617  -5.132   0.616
  163    H    SER  23           H        SER  23   6.302  -7.475  -1.568
  164    HA   SER  23           HA       SER  23   4.033  -8.953  -0.733
  165   1HB   SER  23          2HB       SER  23   6.803 -10.015  -1.312
  166   2HB   SER  23          1HB       SER  23   5.264 -10.818  -1.610
  167    HG   SER  23           HG       SER  23   6.550  -8.793  -3.022
  168    H    ASP  24           H        ASP  24   6.685  -7.845   1.097
  169    HA   ASP  24           HA       ASP  24   6.820 -10.073   2.991
  170   1HB   ASP  24          2HB       ASP  24   7.919  -7.280   2.737
  171   2HB   ASP  24          1HB       ASP  24   8.099  -8.157   4.257
  172    H    GLY  25           H        GLY  25   4.205  -9.678   2.962
  173   1HA   GLY  25          2HA       GLY  25   2.842  -9.527   5.072
  174   2HA   GLY  25          1HA       GLY  25   3.613  -7.963   5.342
  175    H    LYS  26           H        LYS  26   3.050  -8.436   2.056
  176    HA   LYS  26           HA       LYS  26   1.589  -7.300   0.581
  177   1HB   LYS  26          2HB       LYS  26   0.036  -8.748   2.665
  178   2HB   LYS  26          1HB       LYS  26  -0.872  -7.607   1.674
  179   1HG   LYS  26          2HG       LYS  26  -0.733  -8.923  -0.164
  180   2HG   LYS  26          1HG       LYS  26   0.973  -9.273   0.115
  181   1HD   LYS  26          2HD       LYS  26  -0.094 -10.682   2.152
  182   2HD   LYS  26          1HD       LYS  26  -1.439 -10.765   1.014
  183   1HE   LYS  26          2HE       LYS  26   0.266 -11.503  -0.750
  184   2HE   LYS  26          1HE       LYS  26   1.406 -11.721   0.593
  185   1HZ   LYS  26          1HZ       LYS  26  -0.637 -12.915   1.663
  186   2HZ   LYS  26          2HZ       LYS  26   0.378 -13.753   0.588
  187   3HZ   LYS  26          3HZ       LYS  26  -1.110 -13.136   0.049
  188    H    TYR  27           H        TYR  27   2.866  -5.379   1.952
  189    HA   TYR  27           HA       TYR  27   0.673  -3.511   2.797
  190   1HB   TYR  27          2HB       TYR  27   2.079  -2.775   4.611
  191   2HB   TYR  27          1HB       TYR  27   2.068  -4.535   4.659
  192    HD1  TYR  27           1HD      TYR  27   4.040  -5.829   4.126
  193    HD2  TYR  27           2HD      TYR  27   4.050  -1.549   3.750
  194    HE1  TYR  27           1HE      TYR  27   6.510  -5.853   3.909
  195    HE2  TYR  27           2HE      TYR  27   6.520  -1.575   3.531
  196    HH   TYR  27           HH       TYR  27   8.275  -3.467   2.694
  197    H    CYS  28           H        CYS  28   0.801  -1.488   1.853
  198    HA   CYS  28           HA       CYS  28   2.703  -1.066  -0.317
  199   1HB   CYS  28          2HB       CYS  28   0.427   0.449   0.957
  200   2HB   CYS  28          1HB       CYS  28   1.390   1.169  -0.330
  201    H    ALA  29           H        ALA  29   4.657  -0.079  -0.136
  202    HA   ALA  29           HA       ALA  29   5.068   2.101   1.844
  203   1HB   ALA  29          1HB       ALA  29   7.097   0.949   2.711
  204   2HB   ALA  29          2HB       ALA  29   6.734  -0.440   1.687
  205   3HB   ALA  29          3HB       ALA  29   5.646  -0.009   3.005
  206    H    TRP  30           H        TRP  30   6.248   3.708   0.788
  207    HA   TRP  30           HA       TRP  30   7.270   3.111  -1.889
  208   1HB   TRP  30          2HB       TRP  30   7.668   5.575  -1.917
  209   2HB   TRP  30          1HB       TRP  30   6.021   5.150  -1.473
  210    HD1  TRP  30           HD       TRP  30   9.194   5.310   0.725
  211    HE1  TRP  30           1HE      TRP  30   8.703   6.841   2.718
  212    HE3  TRP  30           3HE      TRP  30   4.489   6.846  -0.491
  213    HZ2  TRP  30           2HZ      TRP  30   6.601   8.532   3.677
  214    HZ3  TRP  30           3HZ      TRP  30   3.266   8.428   0.972
  215    HH2  TRP  30           HH       TRP  30   4.315   9.273   3.053
  216    H    ASP  31           H        ASP  31   9.478   3.969  -2.510
  217    HA   ASP  31           HA       ASP  31  11.467   3.146  -0.432
  218   1HB   ASP  31          2HB       ASP  31  11.035   2.111  -2.860
  219   2HB   ASP  31          1HB       ASP  31  12.092   3.437  -3.344
  220    H    GLY  32           H        GLY  32  11.991   5.110   0.591
  221   1HA   GLY  32          2HA       GLY  32  12.968   7.233   0.819
  222   2HA   GLY  32          1HA       GLY  32  13.728   6.936  -0.745
  223    H    THR  33           H        THR  33  13.307   8.773  -1.915
  224    HA   THR  33           HA       THR  33  10.617  10.019  -1.773
  225    HB   THR  33           HB       THR  33  13.004  10.875  -3.418
  226    HG1  THR  33           1HG      THR  33  12.576  11.779  -0.805
  227   1HG2  THR  33          1HG2      THR  33  10.457  11.909  -3.114
  228   2HG2  THR  33          2HG2      THR  33  11.867  12.813  -3.669
  229   3HG2  THR  33          3HG2      THR  33  11.406  12.857  -1.967
  230    H    PHE  34           H        PHE  34  11.598  10.843  -4.741
  231    HA   PHE  34           HA       PHE  34   9.660   9.425  -6.201
  232   1HB   PHE  34          2HB       PHE  34  11.086  11.474  -6.795
  233   2HB   PHE  34          1HB       PHE  34  12.343  10.331  -7.267
  234    HD1  PHE  34           1HD      PHE  34   8.615  10.554  -7.695
  235    HD2  PHE  34           2HD      PHE  34  12.440   9.949  -9.554
  236    HE1  PHE  34           1HE      PHE  34   7.499  10.223  -9.884
  237    HE2  PHE  34           2HE      PHE  34  11.324   9.620 -11.743
  238    HZ   PHE  34           HZ       PHE  34   8.852   9.757 -11.909
  Start of MODEL    5
    1   1H    THR   1          1HT       THR   1 -10.135   5.314  -5.199
    2   2H    THR   1          2HT       THR   1  -9.163   3.933  -5.377
    3   3H    THR   1          3HT       THR   1  -9.214   5.103  -6.607
    4    HA   THR   1           HA       THR   1  -7.729   6.446  -5.593
    5    HB   THR   1           HB       THR   1  -9.368   7.068  -3.927
    6    HG1  THR   1           1HG      THR   1  -7.874   6.774  -1.961
    7   1HG2  THR   1          1HG2      THR   1 -10.470   5.329  -2.989
    8   2HG2  THR   1          2HG2      THR   1  -9.152   5.308  -1.818
    9   3HG2  THR   1          3HG2      THR   1  -9.107   4.232  -3.215
   10    H    CYS   2           H        CYS   2  -5.992   6.048  -3.547
   11    HA   CYS   2           HA       CYS   2  -5.047   3.216  -3.877
   12   1HB   CYS   2          2HB       CYS   2  -2.754   4.268  -3.821
   13   2HB   CYS   2          1HB       CYS   2  -3.721   4.737  -5.222
   14    H    ARG   3           H        ARG   3  -2.973   3.208  -2.141
   15    HA   ARG   3           HA       ARG   3  -4.145   4.059   0.488
   16   1HB   ARG   3          2HB       ARG   3  -2.911   1.467  -0.453
   17   2HB   ARG   3          1HB       ARG   3  -3.005   1.866   1.263
   18   1HG   ARG   3          2HG       ARG   3  -5.390   1.970   1.208
   19   2HG   ARG   3          1HG       ARG   3  -5.420   1.953  -0.556
   20   1HD   ARG   3          2HD       ARG   3  -4.727  -0.339  -0.645
   21   2HD   ARG   3          1HD       ARG   3  -4.301  -0.345   1.077
   22    HE   ARG   3           HE       ARG   3  -7.117   0.067   0.138
   23   1HH1  ARG   3          1HH2      ARG   3  -5.615   0.155   2.998
   24   2HH1  ARG   3          2HH2      ARG   3  -6.362  -1.241   3.702
   25   1HH2  ARG   3          1HH1      ARG   3  -7.711  -2.360   0.711
   26   2HH2  ARG   3          2HH1      ARG   3  -7.547  -2.664   2.408
   27    H    TYR   4           H        TYR   4  -2.507   4.472   2.152
   28    HA   TYR   4           HA       TYR   4   0.012   5.526   0.991
   29   1HB   TYR   4          2HB       TYR   4  -1.100   5.679   3.812
   30   2HB   TYR   4          1HB       TYR   4   0.134   6.718   3.099
   31    HD1  TYR   4           1HD      TYR   4  -3.297   6.457   3.837
   32    HD2  TYR   4           2HD      TYR   4  -0.605   7.880   0.807
   33    HE1  TYR   4           1HE      TYR   4  -5.063   7.969   2.977
   34    HE2  TYR   4           2HE      TYR   4  -2.373   9.392  -0.053
   35    HH   TYR   4           HH       TYR   4  -5.420   9.809   1.649
   36    H    LEU   5           H        LEU   5   1.604   5.349   3.275
   37    HA   LEU   5           HA       LEU   5   3.040   2.991   2.988
   38   1HB   LEU   5          2HB       LEU   5   2.648   5.037   5.121
   39   2HB   LEU   5          1HB       LEU   5   3.542   3.581   5.559
   40    HG   LEU   5           HG       LEU   5   4.241   4.980   3.005
   41   1HD1  LEU   5          1HD1      LEU   5   4.862   5.917   5.804
   42   2HD1  LEU   5          2HD1      LEU   5   4.317   6.867   4.422
   43   3HD1  LEU   5          3HD1      LEU   5   5.967   6.248   4.470
   44   1HD2  LEU   5          1HD2      LEU   5   5.179   2.754   4.334
   45   2HD2  LEU   5          2HD2      LEU   5   6.313   4.001   4.854
   46   3HD2  LEU   5          3HD2      LEU   5   6.094   3.670   3.136
   47    H    PHE   6           H        PHE   6   3.134   1.012   4.091
   48    HA   PHE   6           HA       PHE   6   2.154  -0.941   4.973
   49   1HB   PHE   6          2HB       PHE   6   1.209   1.122   6.981
   50   2HB   PHE   6          1HB       PHE   6   1.551  -0.583   7.295
   51    HD1  PHE   6           1HD      PHE   6   2.879   2.470   7.935
   52    HD2  PHE   6           2HD      PHE   6   3.983  -1.184   5.966
   53    HE1  PHE   6           1HE      PHE   6   5.279   3.015   8.262
   54    HE2  PHE   6           2HE      PHE   6   6.377  -0.642   6.296
   55    HZ   PHE   6           HZ       PHE   6   7.026   1.458   7.435
   56    H    GLY   7           H        GLY   7   0.491   0.488   3.007
   57   1HA   GLY   7          2HA       GLY   7  -2.258   0.383   4.021
   58   2HA   GLY   7          1HA       GLY   7  -1.782   0.665   2.344
   59    H    GLY   8           H        GLY   8  -3.497  -1.449   4.083
   60   1HA   GLY   8          2HA       GLY   8  -2.533  -4.036   3.592
   61   2HA   GLY   8          1HA       GLY   8  -4.250  -3.626   3.606
   62    H    CYS   9           H        CYS   9  -1.480  -4.236   1.581
   63    HA   CYS   9           HA       CYS   9  -3.228  -3.985  -0.848
   64   1HB   CYS   9          2HB       CYS   9  -1.229  -3.260  -1.982
   65   2HB   CYS   9          1HB       CYS   9  -1.403  -2.326  -0.494
   66    H    LYS  10           H        LYS  10  -2.792  -5.447  -2.550
   67    HA   LYS  10           HA       LYS  10  -1.475  -8.009  -1.714
   68   1HB   LYS  10          2HB       LYS  10  -3.962  -8.064  -1.932
   69   2HB   LYS  10          1HB       LYS  10  -3.810  -7.498  -3.595
   70   1HG   LYS  10          2HG       LYS  10  -2.432  -9.516  -4.113
   71   2HG   LYS  10          1HG       LYS  10  -2.722 -10.097  -2.473
   72   1HD   LYS  10          2HD       LYS  10  -5.255  -9.688  -3.118
   73   2HD   LYS  10          1HD       LYS  10  -4.640  -9.854  -4.761
   74   1HE   LYS  10          2HE       LYS  10  -3.426 -11.994  -3.698
   75   2HE   LYS  10          1HE       LYS  10  -4.813 -11.905  -2.595
   76   1HZ   LYS  10          1HZ       LYS  10  -6.087 -12.717  -4.206
   77   2HZ   LYS  10          2HZ       LYS  10  -4.775 -12.748  -5.286
   78   3HZ   LYS  10          3HZ       LYS  10  -5.748 -11.360  -5.166
   79    H    THR  11           H        THR  11  -1.300  -5.308  -3.697
   80    HA   THR  11           HA       THR  11   0.706  -6.613  -5.445
   81    HB   THR  11           HB       THR  11  -0.695  -5.336  -7.361
   82    HG1  THR  11           1HG      THR  11  -2.953  -6.149  -6.674
   83   1HG2  THR  11          1HG2      THR  11   0.001  -7.739  -7.279
   84   2HG2  THR  11          2HG2      THR  11  -1.603  -7.503  -7.973
   85   3HG2  THR  11          3HG2      THR  11  -1.436  -8.080  -6.315
   86    H    THR  12           H        THR  12   1.925  -4.967  -6.699
   87    HA   THR  12           HA       THR  12   2.567  -2.637  -5.145
   88    HB   THR  12           HB       THR  12   3.342  -2.544  -7.956
   89    HG1  THR  12           1HG      THR  12   3.869  -4.919  -6.502
   90   1HG2  THR  12          1HG2      THR  12   4.541  -1.535  -5.998
   91   2HG2  THR  12          2HG2      THR  12   5.566  -2.566  -6.996
   92   3HG2  THR  12          3HG2      THR  12   4.940  -3.166  -5.460
   93    H    ALA  13           H        ALA  13   0.576  -3.100  -8.060
   94    HA   ALA  13           HA       ALA  13   0.167  -0.284  -8.579
   95   1HB   ALA  13          1HB       ALA  13  -1.386  -2.785  -9.323
   96   2HB   ALA  13          2HB       ALA  13  -0.090  -2.046 -10.263
   97   3HB   ALA  13          3HB       ALA  13  -1.625  -1.201 -10.061
   98    H    ASP  14           H        ASP  14  -0.854  -2.131  -5.990
   99    HA   ASP  14           HA       ASP  14  -3.572  -1.008  -5.769
  100   1HB   ASP  14          2HB       ASP  14  -1.950  -3.144  -4.640
  101   2HB   ASP  14          1HB       ASP  14  -2.801  -2.254  -3.376
  102    H    CYS  15           H        CYS  15  -0.489   0.198  -5.138
  103    HA   CYS  15           HA       CYS  15  -1.373   1.695  -2.705
  104   1HB   CYS  15          2HB       CYS  15   1.352   1.990  -3.892
  105   2HB   CYS  15          1HB       CYS  15   0.876   1.931  -2.202
  106    H    CYS  16           H        CYS  16  -0.208   4.010  -2.788
  107    HA   CYS  16           HA       CYS  16  -1.557   5.532  -4.860
  108   1HB   CYS  16          2HB       CYS  16   0.337   6.106  -2.566
  109   2HB   CYS  16          1HB       CYS  16  -0.216   7.393  -3.642
  110    H    LYS  17           H        LYS  17   0.144   7.456  -5.722
  111    HA   LYS  17           HA       LYS  17   1.864   5.988  -7.589
  112   1HB   LYS  17          2HB       LYS  17   0.343   8.260  -7.665
  113   2HB   LYS  17          1HB       LYS  17   1.957   8.940  -7.461
  114   1HG   LYS  17          2HG       LYS  17   1.985   6.781  -9.400
  115   2HG   LYS  17          1HG       LYS  17   0.821   8.025  -9.859
  116   1HD   LYS  17          2HD       LYS  17   3.018   9.485  -8.978
  117   2HD   LYS  17          1HD       LYS  17   3.742   8.136  -9.854
  118   1HE   LYS  17          2HE       LYS  17   3.296   9.994 -11.409
  119   2HE   LYS  17          1HE       LYS  17   2.219   8.637 -11.788
  120   1HZ   LYS  17          1HZ       LYS  17   1.286  10.470  -9.736
  121   2HZ   LYS  17          2HZ       LYS  17   0.422   9.708 -10.984
  122   3HZ   LYS  17          3HZ       LYS  17   1.333  11.105 -11.309
  123    H    HIS  18           H        HIS  18   2.805   5.666  -4.964
  124    HA   HIS  18           HA       HIS  18   5.540   6.695  -5.245
  125   1HB   HIS  18          2HB       HIS  18   3.612   7.644  -3.115
  126   2HB   HIS  18          1HB       HIS  18   5.359   7.734  -2.891
  127    HD1  HIS  18           1HD      HIS  18   6.674   9.080  -4.871
  128    HD2  HIS  18           2HD      HIS  18   2.572   9.759  -4.581
  129    HE1  HIS  18           1HE      HIS  18   6.208  11.206  -6.165
  130    H    LEU  19           H        LEU  19   3.129   4.991  -3.279
  131    HA   LEU  19           HA       LEU  19   5.164   3.543  -1.744
  132   1HB   LEU  19          2HB       LEU  19   2.151   3.346  -1.962
  133   2HB   LEU  19          1HB       LEU  19   3.128   2.503  -0.757
  134    HG   LEU  19           HG       LEU  19   3.972   5.191  -0.698
  135   1HD1  LEU  19          1HD1      LEU  19   2.014   5.998  -1.777
  136   2HD1  LEU  19          2HD1      LEU  19   1.709   6.228  -0.056
  137   3HD1  LEU  19          3HD1      LEU  19   0.975   4.870  -0.908
  138   1HD2  LEU  19          1HD2      LEU  19   2.276   3.456   1.103
  139   2HD2  LEU  19          2HD2      LEU  19   2.779   5.083   1.568
  140   3HD2  LEU  19          3HD2      LEU  19   3.990   3.840   1.261
  141    H    ALA  20           H        ALA  20   5.568   1.313  -1.876
  142    HA   ALA  20           HA       ALA  20   4.645  -0.034  -4.393
  143   1HB   ALA  20          1HB       ALA  20   6.983  -1.191  -4.008
  144   2HB   ALA  20          2HB       ALA  20   7.298   0.216  -2.993
  145   3HB   ALA  20          3HB       ALA  20   6.927   0.428  -4.703
  146    H    CYS  21           H        CYS  21   3.196  -1.594  -3.729
  147    HA   CYS  21           HA       CYS  21   2.926  -2.704  -1.163
  148   1HB   CYS  21          2HB       CYS  21   1.323  -2.770  -3.094
  149   2HB   CYS  21          1HB       CYS  21   2.343  -3.995  -3.843
  150    H    ARG  22           H        ARG  22   4.020  -4.323  -0.087
  151    HA   ARG  22           HA       ARG  22   6.146  -5.793  -1.608
  152   1HB   ARG  22          2HB       ARG  22   5.982  -4.393   0.999
  153   2HB   ARG  22          1HB       ARG  22   6.867  -5.919   1.021
  154   1HG   ARG  22          2HG       ARG  22   7.551  -4.321  -1.317
  155   2HG   ARG  22          1HG       ARG  22   7.862  -3.445   0.182
  156   1HD   ARG  22          2HD       ARG  22   8.933  -5.747   0.947
  157   2HD   ARG  22          1HD       ARG  22   9.098  -5.995  -0.804
  158    HE   ARG  22           HE       ARG  22   9.931  -3.342  -0.233
  159   1HH1  ARG  22          1HH1      ARG  22  10.787  -6.304   1.206
  160   2HH1  ARG  22          2HH1      ARG  22  12.492  -6.098   0.983
  161   1HH2  ARG  22          1HH2      ARG  22  12.163  -3.187  -0.874
  162   2HH2  ARG  22          2HH2      ARG  22  13.271  -4.332  -0.195
  163    H    SER  23           H        SER  23   5.945  -7.998  -1.637
  164    HA   SER  23           HA       SER  23   3.677  -9.366  -0.631
  165   1HB   SER  23          2HB       SER  23   6.367 -10.587  -1.243
  166   2HB   SER  23          1HB       SER  23   4.772 -11.283  -1.517
  167    HG   SER  23           HG       SER  23   4.543 -10.090  -3.270
  168    H    ASP  24           H        ASP  24   6.503  -8.309   0.988
  169    HA   ASP  24           HA       ASP  24   6.591 -10.431   3.003
  170   1HB   ASP  24          2HB       ASP  24   7.768  -7.632   2.894
  171   2HB   ASP  24          1HB       ASP  24   8.252  -8.901   4.020
  172    H    GLY  25           H        GLY  25   4.023  -9.869   3.093
  173   1HA   GLY  25          2HA       GLY  25   2.761  -9.481   5.225
  174   2HA   GLY  25          1HA       GLY  25   3.675  -7.979   5.386
  175    H    LYS  26           H        LYS  26   2.960  -8.534   2.149
  176    HA   LYS  26           HA       LYS  26   1.569  -7.300   0.680
  177   1HB   LYS  26          2HB       LYS  26  -0.022  -8.678   2.775
  178   2HB   LYS  26          1HB       LYS  26  -0.892  -7.475   1.823
  179   1HG   LYS  26          2HG       LYS  26  -0.956  -8.840   0.034
  180   2HG   LYS  26          1HG       LYS  26   0.785  -9.109   0.115
  181   1HD   LYS  26          2HD       LYS  26   0.354 -11.209   0.803
  182   2HD   LYS  26          1HD       LYS  26  -0.286 -10.523   2.297
  183   1HE   LYS  26          2HE       LYS  26  -1.864 -11.085  -0.241
  184   2HE   LYS  26          1HE       LYS  26  -2.018 -11.930   1.312
  185   1HZ   LYS  26          1HZ       LYS  26  -2.220  -9.399   2.102
  186   2HZ   LYS  26          2HZ       LYS  26  -3.567 -10.351   1.695
  187   3HZ   LYS  26          3HZ       LYS  26  -2.916  -9.267   0.561
  188    H    TYR  27           H        TYR  27   2.892  -5.363   1.801
  189    HA   TYR  27           HA       TYR  27   0.819  -3.428   2.779
  190   1HB   TYR  27          2HB       TYR  27   2.347  -2.703   4.509
  191   2HB   TYR  27          1HB       TYR  27   2.232  -4.458   4.608
  192    HD1  TYR  27           1HD      TYR  27   4.413  -1.623   4.000
  193    HD2  TYR  27           2HD      TYR  27   4.035  -5.880   3.571
  194    HE1  TYR  27           1HE      TYR  27   6.865  -1.807   3.680
  195    HE2  TYR  27           2HE      TYR  27   6.487  -6.065   3.250
  196    HH   TYR  27           HH       TYR  27   8.356  -4.510   2.437
  197    H    CYS  28           H        CYS  28   1.023  -1.368   1.881
  198    HA   CYS  28           HA       CYS  28   2.980  -1.066  -0.315
  199   1HB   CYS  28          2HB       CYS  28   0.538   0.392   0.683
  200   2HB   CYS  28          1HB       CYS  28   1.559   1.085  -0.578
  201    H    ALA  29           H        ALA  29   4.824   0.091  -0.134
  202    HA   ALA  29           HA       ALA  29   4.987   2.358   1.791
  203   1HB   ALA  29          1HB       ALA  29   7.224   0.351   1.699
  204   2HB   ALA  29          2HB       ALA  29   5.794  -0.015   2.665
  205   3HB   ALA  29          3HB       ALA  29   6.749   1.426   3.014
  206    H    TRP  30           H        TRP  30   5.986   4.062   0.712
  207    HA   TRP  30           HA       TRP  30   7.070   3.609  -1.958
  208   1HB   TRP  30          2HB       TRP  30   7.348   6.095  -1.879
  209   2HB   TRP  30          1HB       TRP  30   5.723   5.565  -1.449
  210    HD1  TRP  30           HD       TRP  30   8.955   5.871   0.664
  211    HE1  TRP  30           1HE      TRP  30   8.400   7.202   2.780
  212    HE3  TRP  30           3HE      TRP  30   4.053   6.969  -0.245
  213    HZ2  TRP  30           2HZ      TRP  30   6.178   8.575   3.948
  214    HZ3  TRP  30           3HZ      TRP  30   2.743   8.297   1.384
  215    HH2  TRP  30           HH       TRP  30   3.799   9.103   3.478
  216    H    ASP  31           H        ASP  31   9.213   4.588  -2.580
  217    HA   ASP  31           HA       ASP  31  11.296   3.647  -0.691
  218   1HB   ASP  31          2HB       ASP  31  10.974   3.133  -3.246
  219   2HB   ASP  31          1HB       ASP  31  11.729   4.710  -3.474
  220    H    GLY  32           H        GLY  32   9.708   6.503  -1.207
  221   1HA   GLY  32          2HA       GLY  32  11.964   8.341  -1.306
  222   2HA   GLY  32          1HA       GLY  32  10.285   8.781  -0.987
  223    H    THR  33           H        THR  33  11.979  10.093   0.568
  224    HA   THR  33           HA       THR  33  12.200   8.568   3.136
  225    HB   THR  33           HB       THR  33  13.456  11.239   2.747
  226    HG1  THR  33           1HG      THR  33  14.552   8.949   1.515
  227   1HG2  THR  33          1HG2      THR  33  14.212  10.289   4.698
  228   2HG2  THR  33          2HG2      THR  33  15.399   9.596   3.595
  229   3HG2  THR  33          3HG2      THR  33  14.004   8.643   4.100
  230    H    PHE  34           H        PHE  34  10.682  11.306   1.575
  231    HA   PHE  34           HA       PHE  34   9.016  11.746   3.988
  232   1HB   PHE  34          2HB       PHE  34  11.321  13.257   3.419
  233   2HB   PHE  34          1HB       PHE  34   9.970  14.277   2.928
  234    HD1  PHE  34           1HD      PHE  34   7.880  13.281   4.846
  235    HD2  PHE  34           2HD      PHE  34  12.011  14.302   5.442
  236    HE1  PHE  34           1HE      PHE  34   7.409  13.803   7.224
  237    HE2  PHE  34           2HE      PHE  34  11.537  14.823   7.821
  238    HZ   PHE  34           HZ       PHE  34   9.237  14.574   8.711
  Start of MODEL    6
    1   1H    THR   1          1HT       THR   1  -7.467   6.088  -7.192
    2   2H    THR   1          2HT       THR   1  -7.010   7.626  -6.635
    3   3H    THR   1          3HT       THR   1  -8.654   7.234  -6.799
    4    HA   THR   1           HA       THR   1  -7.621   7.182  -4.449
    5    HB   THR   1           HB       THR   1  -9.082   5.016  -4.158
    6    HG1  THR   1           1HG      THR   1  -9.901   5.681  -6.750
    7   1HG2  THR   1          1HG2      THR   1 -11.126   6.353  -4.582
    8   2HG2  THR   1          2HG2      THR   1 -10.153   7.536  -5.459
    9   3HG2  THR   1          3HG2      THR   1  -9.897   7.288  -3.731
   10    H    CYS   2           H        CYS   2  -6.183   6.043  -3.140
   11    HA   CYS   2           HA       CYS   2  -5.128   3.419  -3.971
   12   1HB   CYS   2          2HB       CYS   2  -2.767   4.416  -3.932
   13   2HB   CYS   2          1HB       CYS   2  -3.755   4.814  -5.335
   14    H    ARG   3           H        ARG   3  -3.106   3.002  -2.366
   15    HA   ARG   3           HA       ARG   3  -4.051   3.801   0.367
   16   1HB   ARG   3          2HB       ARG   3  -3.613   1.301  -0.918
   17   2HB   ARG   3          1HB       ARG   3  -2.361   1.473   0.313
   18   1HG   ARG   3          2HG       ARG   3  -4.467   0.414   1.173
   19   2HG   ARG   3          1HG       ARG   3  -4.022   1.891   2.027
   20   1HD   ARG   3          2HD       ARG   3  -5.610   2.729  -0.158
   21   2HD   ARG   3          1HD       ARG   3  -6.448   1.337   0.559
   22    HE   ARG   3           HE       ARG   3  -5.385   3.314   2.474
   23   1HH1  ARG   3          1HH2      ARG   3  -7.779   3.851   0.359
   24   2HH1  ARG   3          2HH2      ARG   3  -9.098   3.799   1.481
   25   1HH2  ARG   3          1HH1      ARG   3  -7.195   2.489   4.066
   26   2HH2  ARG   3          2HH1      ARG   3  -8.768   3.027   3.580
   27    H    TYR   4           H        TYR   4  -2.410   4.325   1.921
   28    HA   TYR   4           HA       TYR   4   0.130   5.286   0.708
   29   1HB   TYR   4          2HB       TYR   4  -1.420   5.767   3.253
   30   2HB   TYR   4          1HB       TYR   4   0.239   6.338   3.081
   31    HD1  TYR   4           1HD      TYR   4   0.591   8.456   2.172
   32    HD2  TYR   4           2HD      TYR   4  -2.994   6.311   1.175
   33    HE1  TYR   4           1HE      TYR   4  -0.212  10.404   0.866
   34    HE2  TYR   4           2HE      TYR   4  -3.798   8.260  -0.130
   35    HH   TYR   4           HH       TYR   4  -1.779  11.163  -0.526
   36    H    LEU   5           H        LEU   5   1.742   5.250   2.953
   37    HA   LEU   5           HA       LEU   5   3.126   2.871   2.905
   38   1HB   LEU   5          2HB       LEU   5   2.693   5.045   4.892
   39   2HB   LEU   5          1HB       LEU   5   3.545   3.606   5.453
   40    HG   LEU   5           HG       LEU   5   4.307   5.099   2.935
   41   1HD1  LEU   5          1HD1      LEU   5   5.414   5.337   5.749
   42   2HD1  LEU   5          2HD1      LEU   5   4.594   6.604   4.837
   43   3HD1  LEU   5          3HD1      LEU   5   6.174   6.023   4.315
   44   1HD2  LEU   5          1HD2      LEU   5   6.046   3.612   2.773
   45   2HD2  LEU   5          2HD2      LEU   5   4.940   2.574   3.675
   46   3HD2  LEU   5          3HD2      LEU   5   6.210   3.457   4.522
   47    H    PHE   6           H        PHE   6   3.103   0.923   4.008
   48    HA   PHE   6           HA       PHE   6   2.100  -0.951   5.023
   49   1HB   PHE   6          2HB       PHE   6   1.155   1.226   6.906
   50   2HB   PHE   6          1HB       PHE   6   1.517  -0.455   7.315
   51    HD1  PHE   6           1HD      PHE   6   3.949  -0.907   5.683
   52    HD2  PHE   6           2HD      PHE   6   2.821   2.450   8.115
   53    HE1  PHE   6           1HE      PHE   6   6.336  -0.322   5.977
   54    HE2  PHE   6           2HE      PHE   6   5.215   3.034   8.412
   55    HZ   PHE   6           HZ       PHE   6   6.971   1.648   7.332
   56    H    GLY   7           H        GLY   7   0.421   0.532   3.009
   57   1HA   GLY   7          2HA       GLY   7  -2.316   0.370   4.057
   58   2HA   GLY   7          1HA       GLY   7  -1.867   0.710   2.383
   59    H    GLY   8           H        GLY   8  -3.313  -1.579   4.305
   60   1HA   GLY   8          2HA       GLY   8  -2.405  -4.095   3.642
   61   2HA   GLY   8          1HA       GLY   8  -4.127  -3.718   3.694
   62    H    CYS   9           H        CYS   9  -1.420  -4.345   1.625
   63    HA   CYS   9           HA       CYS   9  -3.196  -4.026  -0.775
   64   1HB   CYS   9          2HB       CYS   9  -1.259  -3.240  -1.932
   65   2HB   CYS   9          1HB       CYS   9  -1.330  -2.382  -0.391
   66    H    LYS  10           H        LYS  10  -2.805  -5.468  -2.495
   67    HA   LYS  10           HA       LYS  10  -1.512  -8.057  -1.709
   68   1HB   LYS  10          2HB       LYS  10  -4.033  -7.956  -2.017
   69   2HB   LYS  10          1HB       LYS  10  -3.741  -7.536  -3.705
   70   1HG   LYS  10          2HG       LYS  10  -2.117  -9.770  -3.246
   71   2HG   LYS  10          1HG       LYS  10  -3.628 -10.141  -2.417
   72   1HD   LYS  10          2HD       LYS  10  -4.644  -9.133  -4.691
   73   2HD   LYS  10          1HD       LYS  10  -3.112  -9.738  -5.321
   74   1HE   LYS  10          2HE       LYS  10  -4.366 -11.664  -3.517
   75   2HE   LYS  10          1HE       LYS  10  -5.400 -11.274  -4.906
   76   1HZ   LYS  10          1HZ       LYS  10  -2.556 -11.572  -5.444
   77   2HZ   LYS  10          2HZ       LYS  10  -3.892 -12.050  -6.377
   78   3HZ   LYS  10          3HZ       LYS  10  -3.387 -12.999  -5.061
   79    H    THR  11           H        THR  11  -1.280  -5.315  -3.637
   80    HA   THR  11           HA       THR  11   0.804  -6.545  -5.322
   81    HB   THR  11           HB       THR  11  -0.491  -5.592  -7.381
   82    HG1  THR  11           1HG      THR  11  -2.101  -4.833  -5.583
   83   1HG2  THR  11          1HG2      THR  11  -1.718  -8.003  -6.040
   84   2HG2  THR  11          2HG2      THR  11  -0.087  -8.033  -6.710
   85   3HG2  THR  11          3HG2      THR  11  -1.467  -7.724  -7.763
   86    H    THR  12           H        THR  12   1.984  -4.859  -6.550
   87    HA   THR  12           HA       THR  12   2.422  -2.459  -5.048
   88    HB   THR  12           HB       THR  12   3.240  -2.403  -7.859
   89    HG1  THR  12           1HG      THR  12   3.835  -4.672  -6.265
   90   1HG2  THR  12          1HG2      THR  12   5.498  -2.418  -6.733
   91   2HG2  THR  12          2HG2      THR  12   4.658  -2.571  -5.190
   92   3HG2  THR  12          3HG2      THR  12   4.420  -1.134  -6.185
   93    H    ALA  13           H        ALA  13   0.442  -3.136  -7.908
   94    HA   ALA  13           HA       ALA  13  -0.076  -0.385  -8.611
   95   1HB   ALA  13          1HB       ALA  13  -1.138  -3.107  -9.224
   96   2HB   ALA  13          2HB       ALA  13  -0.517  -1.874 -10.323
   97   3HB   ALA  13          3HB       ALA  13  -2.145  -1.726  -9.660
   98    H    ASP  14           H        ASP  14  -0.992  -2.081  -5.869
   99    HA   ASP  14           HA       ASP  14  -3.698  -0.899  -5.650
  100   1HB   ASP  14          2HB       ASP  14  -2.823  -3.260  -4.935
  101   2HB   ASP  14          1HB       ASP  14  -2.214  -2.414  -3.513
  102    H    CYS  15           H        CYS  15  -0.712   0.409  -5.291
  103    HA   CYS  15           HA       CYS  15  -1.448   1.878  -2.777
  104   1HB   CYS  15          2HB       CYS  15   1.274   2.074  -3.976
  105   2HB   CYS  15          1HB       CYS  15   0.802   1.994  -2.286
  106    H    CYS  16           H        CYS  16  -0.243   4.163  -2.900
  107    HA   CYS  16           HA       CYS  16  -1.526   5.673  -5.034
  108   1HB   CYS  16          2HB       CYS  16   0.317   6.279  -2.713
  109   2HB   CYS  16          1HB       CYS  16  -0.203   7.542  -3.825
  110    H    LYS  17           H        LYS  17   0.290   7.596  -5.760
  111    HA   LYS  17           HA       LYS  17   2.041   6.104  -7.596
  112   1HB   LYS  17          2HB       LYS  17   2.359   8.349  -8.579
  113   2HB   LYS  17          1HB       LYS  17   0.647   8.025  -8.305
  114   1HG   LYS  17          2HG       LYS  17   1.425   9.126  -5.904
  115   2HG   LYS  17          1HG       LYS  17   2.392  10.035  -7.067
  116   1HD   LYS  17          2HD       LYS  17   0.356  10.563  -8.353
  117   2HD   LYS  17          1HD       LYS  17  -0.614   9.652  -7.192
  118   1HE   LYS  17          2HE       LYS  17  -0.842  11.811  -6.328
  119   2HE   LYS  17          1HE       LYS  17   0.604  11.275  -5.449
  120   1HZ   LYS  17          1HZ       LYS  17   0.910  13.432  -6.604
  121   2HZ   LYS  17          2HZ       LYS  17   0.662  12.641  -8.087
  122   3HZ   LYS  17          3HZ       LYS  17   1.999  12.237  -7.118
  123    H    HIS  18           H        HIS  18   2.851   5.791  -4.938
  124    HA   HIS  18           HA       HIS  18   5.620   6.779  -5.084
  125   1HB   HIS  18          2HB       HIS  18   3.831   7.535  -2.747
  126   2HB   HIS  18          1HB       HIS  18   5.527   7.971  -2.951
  127    HD1  HIS  18           1HD      HIS  18   5.997   9.415  -5.273
  128    HD2  HIS  18           2HD      HIS  18   2.114   9.445  -3.758
  129    HE1  HIS  18           1HE      HIS  18   4.837  11.410  -6.315
  130    H    LEU  19           H        LEU  19   3.101   4.998  -3.362
  131    HA   LEU  19           HA       LEU  19   4.899   3.620  -1.553
  132   1HB   LEU  19          2HB       LEU  19   2.039   3.340  -2.457
  133   2HB   LEU  19          1HB       LEU  19   2.758   2.230  -1.291
  134    HG   LEU  19           HG       LEU  19   1.626   4.031  -0.106
  135   1HD1  LEU  19          1HD1      LEU  19   4.427   4.912   0.241
  136   2HD1  LEU  19          2HD1      LEU  19   4.151   3.177   0.384
  137   3HD1  LEU  19          3HD1      LEU  19   3.283   4.297   1.434
  138   1HD2  LEU  19          1HD2      LEU  19   3.528   5.944  -1.466
  139   2HD2  LEU  19          2HD2      LEU  19   2.150   6.344  -0.442
  140   3HD2  LEU  19          3HD2      LEU  19   1.891   5.660  -2.045
  141    H    ALA  20           H        ALA  20   4.863   1.144  -1.571
  142    HA   ALA  20           HA       ALA  20   4.821  -0.066  -4.286
  143   1HB   ALA  20          1HB       ALA  20   7.151  -0.926  -3.842
  144   2HB   ALA  20          2HB       ALA  20   7.203   0.096  -2.407
  145   3HB   ALA  20          3HB       ALA  20   7.074   0.828  -4.006
  146    H    CYS  21           H        CYS  21   3.157  -1.489  -3.602
  147    HA   CYS  21           HA       CYS  21   2.815  -2.788  -1.171
  148   1HB   CYS  21          2HB       CYS  21   1.356  -2.776  -3.233
  149   2HB   CYS  21          1HB       CYS  21   2.423  -3.999  -3.923
  150    H    ARG  22           H        ARG  22   3.986  -4.309  -0.071
  151    HA   ARG  22           HA       ARG  22   6.170  -5.742  -1.544
  152   1HB   ARG  22          2HB       ARG  22   5.837  -4.550   1.192
  153   2HB   ARG  22          1HB       ARG  22   6.963  -5.892   0.980
  154   1HG   ARG  22          2HG       ARG  22   7.475  -4.169  -1.177
  155   2HG   ARG  22          1HG       ARG  22   7.276  -3.109   0.220
  156   1HD   ARG  22          2HD       ARG  22   9.457  -3.625   0.666
  157   2HD   ARG  22          1HD       ARG  22   8.817  -5.176   1.245
  158    HE   ARG  22           HE       ARG  22   9.126  -5.152  -1.640
  159   1HH1  ARG  22          1HH2      ARG  22  10.759  -5.494   1.386
  160   2HH1  ARG  22          2HH2      ARG  22  12.011  -6.501   0.740
  161   1HH2  ARG  22          1HH1      ARG  22  10.750  -6.469  -2.489
  162   2HH2  ARG  22          2HH1      ARG  22  12.007  -7.053  -1.449
  163    H    SER  23           H        SER  23   6.097  -7.966  -1.527
  164    HA   SER  23           HA       SER  23   3.792  -9.385  -0.648
  165   1HB   SER  23          2HB       SER  23   4.878 -10.468  -2.355
  166   2HB   SER  23          1HB       SER  23   6.464  -9.925  -1.815
  167    HG   SER  23           HG       SER  23   5.118 -12.228  -1.270
  168    H    ASP  24           H        ASP  24   6.705  -8.454   0.995
  169    HA   ASP  24           HA       ASP  24   6.593 -10.540   3.046
  170   1HB   ASP  24          2HB       ASP  24   8.002  -7.850   3.034
  171   2HB   ASP  24          1HB       ASP  24   8.431  -9.264   3.997
  172    H    GLY  25           H        GLY  25   4.112  -9.849   3.211
  173   1HA   GLY  25          2HA       GLY  25   2.978  -9.274   5.395
  174   2HA   GLY  25          1HA       GLY  25   3.894  -7.765   5.346
  175    H    LYS  26           H        LYS  26   3.092  -8.532   2.212
  176    HA   LYS  26           HA       LYS  26   1.639  -7.403   0.717
  177   1HB   LYS  26          2HB       LYS  26   0.112  -8.777   2.879
  178   2HB   LYS  26          1HB       LYS  26  -0.807  -7.714   1.812
  179   1HG   LYS  26          2HG       LYS  26  -0.456  -9.036  -0.039
  180   2HG   LYS  26          1HG       LYS  26   1.121  -9.588   0.524
  181   1HD   LYS  26          2HD       LYS  26   0.156 -11.160   2.023
  182   2HD   LYS  26          1HD       LYS  26  -1.441 -10.422   1.892
  183   1HE   LYS  26          2HE       LYS  26  -1.362 -11.046  -0.601
  184   2HE   LYS  26          1HE       LYS  26   0.020 -12.077  -0.180
  185   1HZ   LYS  26          1HZ       LYS  26  -2.231 -13.164  -0.004
  186   2HZ   LYS  26          2HZ       LYS  26  -2.540 -12.136   1.314
  187   3HZ   LYS  26          3HZ       LYS  26  -1.264 -13.255   1.386
  188    H    TYR  27           H        TYR  27   2.805  -5.335   1.661
  189    HA   TYR  27           HA       TYR  27   0.644  -3.483   2.562
  190   1HB   TYR  27          2HB       TYR  27   2.000  -2.678   4.382
  191   2HB   TYR  27          1HB       TYR  27   1.980  -4.436   4.499
  192    HD1  TYR  27           1HD      TYR  27   4.015  -1.477   3.827
  193    HD2  TYR  27           2HD      TYR  27   3.940  -5.771   3.766
  194    HE1  TYR  27           1HE      TYR  27   6.489  -1.519   3.664
  195    HE2  TYR  27           2HE      TYR  27   6.413  -5.812   3.600
  196    HH   TYR  27           HH       TYR  27   8.237  -4.459   3.010
  197    H    CYS  28           H        CYS  28   0.854  -1.427   1.668
  198    HA   CYS  28           HA       CYS  28   2.860  -1.086  -0.457
  199   1HB   CYS  28          2HB       CYS  28   0.446   0.405   0.568
  200   2HB   CYS  28          1HB       CYS  28   1.476   1.086  -0.687
  201    H    ALA  29           H        ALA  29   4.767  -0.039  -0.151
  202    HA   ALA  29           HA       ALA  29   4.912   2.188   1.837
  203   1HB   ALA  29          1HB       ALA  29   6.259  -0.450   1.899
  204   2HB   ALA  29          2HB       ALA  29   5.925   0.668   3.221
  205   3HB   ALA  29          3HB       ALA  29   7.324   0.927   2.180
  206    H    TRP  30           H        TRP  30   5.946   3.933   0.863
  207    HA   TRP  30           HA       TRP  30   7.043   3.605  -1.822
  208   1HB   TRP  30          2HB       TRP  30   7.364   6.098  -1.581
  209   2HB   TRP  30          1HB       TRP  30   5.717   5.549  -1.289
  210    HD1  TRP  30           HD       TRP  30   8.724   5.530   1.132
  211    HE1  TRP  30           1HE      TRP  30   8.066   6.823   3.241
  212    HE3  TRP  30           3HE      TRP  30   4.083   7.150  -0.236
  213    HZ2  TRP  30           2HZ      TRP  30   5.870   8.360   4.236
  214    HZ3  TRP  30           3HZ      TRP  30   2.732   8.533   1.311
  215    HH2  TRP  30           HH       TRP  30   3.618   9.141   3.544
  216    H    ASP  31           H        ASP  31   9.217   4.884  -2.241
  217    HA   ASP  31           HA       ASP  31  11.213   3.931  -0.211
  218   1HB   ASP  31          2HB       ASP  31  10.903   3.646  -3.125
  219   2HB   ASP  31          1HB       ASP  31  12.526   4.132  -2.630
  220    H    GLY  32           H        GLY  32  10.112   6.510   0.063
  221   1HA   GLY  32          2HA       GLY  32  11.372   8.627  -1.288
  222   2HA   GLY  32          1HA       GLY  32  10.854   8.713   0.396
  223    H    THR  33           H        THR  33  12.405   8.511   2.025
  224    HA   THR  33           HA       THR  33  15.234   8.116   1.103
  225    HB   THR  33           HB       THR  33  14.773  10.460   1.565
  226    HG1  THR  33           1HG      THR  33  16.587  10.529   2.582
  227   1HG2  THR  33          1HG2      THR  33  12.757  10.163   2.923
  228   2HG2  THR  33          2HG2      THR  33  13.927  11.155   3.793
  229   3HG2  THR  33          3HG2      THR  33  13.716   9.458   4.223
  230    H    PHE  34           H        PHE  34  15.926   8.556   4.049
  231    HA   PHE  34           HA       PHE  34  14.918   5.974   5.179
  232   1HB   PHE  34          2HB       PHE  34  17.163   5.876   3.924
  233   2HB   PHE  34          1HB       PHE  34  17.811   6.858   5.238
  234    HD1  PHE  34           1HD      PHE  34  17.777   5.988   7.586
  235    HD2  PHE  34           2HD      PHE  34  16.676   3.550   4.226
  236    HE1  PHE  34           1HE      PHE  34  18.040   3.953   8.977
  237    HE2  PHE  34           2HE      PHE  34  16.939   1.514   5.617
  238    HZ   PHE  34           HZ       PHE  34  17.622   1.715   7.993
  Start of MODEL    7
    1   1H    THR   1          1HT       THR   1  -9.931   7.195  -3.205
    2   2H    THR   1          2HT       THR   1  -9.022   6.508  -1.946
    3   3H    THR   1          3HT       THR   1  -9.886   5.510  -3.015
    4    HA   THR   1           HA       THR   1  -8.442   6.043  -4.827
    5    HB   THR   1           HB       THR   1  -6.613   7.728  -3.302
    6    HG1  THR   1           1HG      THR   1  -7.987   9.446  -3.015
    7   1HG2  THR   1          1HG2      THR   1  -6.833   9.150  -5.267
    8   2HG2  THR   1          2HG2      THR   1  -8.275   8.272  -5.776
    9   3HG2  THR   1          3HG2      THR   1  -6.706   7.468  -5.780
   10    H    CYS   2           H        CYS   2  -5.720   5.963  -4.521
   11    HA   CYS   2           HA       CYS   2  -5.125   3.371  -3.595
   12   1HB   CYS   2          2HB       CYS   2  -2.764   4.259  -3.614
   13   2HB   CYS   2          1HB       CYS   2  -3.682   4.647  -5.068
   14    H    ARG   3           H        ARG   3  -3.211   3.221  -1.829
   15    HA   ARG   3           HA       ARG   3  -4.193   4.567   0.668
   16   1HB   ARG   3          2HB       ARG   3  -4.125   1.815  -0.090
   17   2HB   ARG   3          1HB       ARG   3  -2.920   2.042   1.178
   18   1HG   ARG   3          2HG       ARG   3  -5.657   3.248   1.481
   19   2HG   ARG   3          1HG       ARG   3  -5.401   1.545   1.857
   20   1HD   ARG   3          2HD       ARG   3  -3.371   2.418   3.274
   21   2HD   ARG   3          1HD       ARG   3  -4.237   3.967   3.215
   22    HE   ARG   3           HE       ARG   3  -6.176   2.037   3.842
   23   1HH1  ARG   3          1HH2      ARG   3  -3.789   3.999   5.240
   24   2HH1  ARG   3          2HH2      ARG   3  -3.981   3.367   6.841
   25   1HH2  ARG   3          1HH1      ARG   3  -6.190   0.873   5.878
   26   2HH2  ARG   3          2HH1      ARG   3  -5.342   1.598   7.203
   27    H    TYR   4           H        TYR   4  -2.461   4.934   2.268
   28    HA   TYR   4           HA       TYR   4   0.135   5.443   0.934
   29   1HB   TYR   4          2HB       TYR   4  -1.347   6.347   3.365
   30   2HB   TYR   4          1HB       TYR   4   0.414   6.457   3.404
   31    HD1  TYR   4           1HD      TYR   4   0.958   8.722   3.058
   32    HD2  TYR   4           2HD      TYR   4  -1.988   6.840   0.559
   33    HE1  TYR   4           1HE      TYR   4   0.864  10.754   1.637
   34    HE2  TYR   4           2HE      TYR   4  -2.082   8.871  -0.859
   35    HH   TYR   4           HH       TYR   4  -0.820  10.793  -1.400
   36    H    LEU   5           H        LEU   5   1.822   5.290   3.116
   37    HA   LEU   5           HA       LEU   5   3.078   2.923   3.127
   38   1HB   LEU   5          2HB       LEU   5   2.389   4.670   5.496
   39   2HB   LEU   5          1HB       LEU   5   3.628   3.417   5.546
   40    HG   LEU   5           HG       LEU   5   4.128   4.890   3.200
   41   1HD1  LEU   5          1HD1      LEU   5   4.542   7.147   4.550
   42   2HD1  LEU   5          2HD1      LEU   5   3.167   6.562   5.488
   43   3HD1  LEU   5          3HD1      LEU   5   3.000   6.836   3.754
   44   1HD2  LEU   5          1HD2      LEU   5   5.391   4.357   5.828
   45   2HD2  LEU   5          2HD2      LEU   5   6.002   5.773   4.970
   46   3HD2  LEU   5          3HD2      LEU   5   6.058   4.185   4.205
   47    H    PHE   6           H        PHE   6   3.100   0.989   4.300
   48    HA   PHE   6           HA       PHE   6   2.007  -1.011   4.925
   49   1HB   PHE   6          2HB       PHE   6   1.040   0.979   6.997
   50   2HB   PHE   6          1HB       PHE   6   1.316  -0.750   7.241
   51    HD1  PHE   6           1HD      PHE   6   2.736   2.141   8.187
   52    HD2  PHE   6           2HD      PHE   6   3.762  -1.295   5.824
   53    HE1  PHE   6           1HE      PHE   6   5.145   2.579   8.587
   54    HE2  PHE   6           2HE      PHE   6   6.166  -0.862   6.228
   55    HZ   PHE   6           HZ       PHE   6   6.860   1.077   7.600
   56    H    GLY   7           H        GLY   7   0.475   0.451   2.937
   57   1HA   GLY   7          2HA       GLY   7  -2.323   0.442   3.801
   58   2HA   GLY   7          1HA       GLY   7  -1.753   0.655   2.143
   59    H    GLY   8           H        GLY   8  -3.595  -1.364   3.897
   60   1HA   GLY   8          2HA       GLY   8  -2.662  -3.986   3.461
   61   2HA   GLY   8          1HA       GLY   8  -4.370  -3.549   3.506
   62    H    CYS   9           H        CYS   9  -1.636  -4.182   1.425
   63    HA   CYS   9           HA       CYS   9  -3.444  -4.017  -0.966
   64   1HB   CYS   9          2HB       CYS   9  -1.435  -3.329  -2.154
   65   2HB   CYS   9          1HB       CYS   9  -1.682  -2.316  -0.732
   66    H    LYS  10           H        LYS  10  -3.026  -5.511  -2.641
   67    HA   LYS  10           HA       LYS  10  -1.706  -8.056  -1.769
   68   1HB   LYS  10          2HB       LYS  10  -4.290  -7.734  -2.310
   69   2HB   LYS  10          1HB       LYS  10  -3.730  -7.835  -3.980
   70   1HG   LYS  10          2HG       LYS  10  -3.701 -10.074  -3.778
   71   2HG   LYS  10          1HG       LYS  10  -2.406  -9.907  -2.592
   72   1HD   LYS  10          2HD       LYS  10  -5.363  -9.748  -1.940
   73   2HD   LYS  10          1HD       LYS  10  -4.362 -11.181  -1.704
   74   1HE   LYS  10          2HE       LYS  10  -2.915  -9.952  -0.140
   75   2HE   LYS  10          1HE       LYS  10  -3.867  -8.477  -0.404
   76   1HZ   LYS  10          1HZ       LYS  10  -5.776  -9.465   0.490
   77   2HZ   LYS  10          2HZ       LYS  10  -4.535  -9.912   1.560
   78   3HZ   LYS  10          3HZ       LYS  10  -5.121 -11.027   0.419
   79    H    THR  11           H        THR  11  -1.440  -5.353  -3.744
   80    HA   THR  11           HA       THR  11   0.659  -6.644  -5.389
   81    HB   THR  11           HB       THR  11  -0.763  -5.285  -7.318
   82    HG1  THR  11           1HG      THR  11  -2.505  -4.984  -5.918
   83   1HG2  THR  11          1HG2      THR  11  -0.245  -7.328  -8.130
   84   2HG2  THR  11          2HG2      THR  11  -1.778  -7.865  -7.441
   85   3HG2  THR  11          3HG2      THR  11  -0.283  -8.059  -6.525
   86    H    THR  12           H        THR  12   1.853  -4.933  -6.671
   87    HA   THR  12           HA       THR  12   2.404  -2.614  -5.042
   88    HB   THR  12           HB       THR  12   3.220  -2.697  -7.898
   89    HG1  THR  12           1HG      THR  12   4.757  -4.439  -6.974
   90   1HG2  THR  12          1HG2      THR  12   4.645  -2.449  -5.236
   91   2HG2  THR  12          2HG2      THR  12   4.287  -1.148  -6.372
   92   3HG2  THR  12          3HG2      THR  12   5.458  -2.395  -6.802
   93    H    ALA  13           H        ALA  13   0.497  -3.118  -7.997
   94    HA   ALA  13           HA       ALA  13   0.090  -0.313  -8.573
   95   1HB   ALA  13          1HB       ALA  13  -0.113  -2.249 -10.152
   96   2HB   ALA  13          2HB       ALA  13  -1.534  -1.205 -10.161
   97   3HB   ALA  13          3HB       ALA  13  -1.575  -2.743  -9.298
   98    H    ASP  14           H        ASP  14  -0.983  -2.114  -5.970
   99    HA   ASP  14           HA       ASP  14  -3.709  -0.997  -5.826
  100   1HB   ASP  14          2HB       ASP  14  -2.083  -3.078  -4.589
  101   2HB   ASP  14          1HB       ASP  14  -2.999  -2.167  -3.387
  102    H    CYS  15           H        CYS  15  -0.541  -0.008  -4.896
  103    HA   CYS  15           HA       CYS  15  -1.490   1.649  -2.628
  104   1HB   CYS  15          2HB       CYS  15   1.249   1.762  -3.860
  105   2HB   CYS  15          1HB       CYS  15   0.792   1.956  -2.175
  106    H    CYS  16           H        CYS  16  -0.154   3.920  -2.800
  107    HA   CYS  16           HA       CYS  16  -1.509   5.451  -4.869
  108   1HB   CYS  16          2HB       CYS  16   0.457   5.986  -2.629
  109   2HB   CYS  16          1HB       CYS  16  -0.005   7.270  -3.749
  110    H    LYS  17           H        LYS  17   0.205   7.249  -5.883
  111    HA   LYS  17           HA       LYS  17   1.892   5.639  -7.673
  112   1HB   LYS  17          2HB       LYS  17   0.950   8.482  -7.439
  113   2HB   LYS  17          1HB       LYS  17   2.299   8.113  -8.515
  114   1HG   LYS  17          2HG       LYS  17   0.982   6.618  -9.823
  115   2HG   LYS  17          1HG       LYS  17  -0.304   6.578  -8.614
  116   1HD   LYS  17          2HD       LYS  17   0.343   9.283  -9.589
  117   2HD   LYS  17          1HD       LYS  17  -0.300   8.205 -10.829
  118   1HE   LYS  17          2HE       LYS  17  -2.276   9.073  -9.917
  119   2HE   LYS  17          1HE       LYS  17  -2.068   7.614  -8.926
  120   1HZ   LYS  17          1HZ       LYS  17  -1.152   8.812  -7.190
  121   2HZ   LYS  17          2HZ       LYS  17  -2.365   9.866  -7.738
  122   3HZ   LYS  17          3HZ       LYS  17  -0.743  10.137  -8.168
  123    H    HIS  18           H        HIS  18   2.863   5.486  -5.062
  124    HA   HIS  18           HA       HIS  18   5.585   6.562  -5.404
  125   1HB   HIS  18          2HB       HIS  18   4.026   7.303  -2.916
  126   2HB   HIS  18          1HB       HIS  18   5.567   7.957  -3.463
  127    HD1  HIS  18           1HD      HIS  18   5.516   9.792  -5.279
  128    HD2  HIS  18           2HD      HIS  18   1.732   8.354  -4.276
  129    HE1  HIS  18           1HE      HIS  18   3.844  11.380  -6.327
  130    H    LEU  19           H        LEU  19   3.223   4.860  -3.393
  131    HA   LEU  19           HA       LEU  19   5.217   3.529  -1.737
  132   1HB   LEU  19          2HB       LEU  19   2.247   3.424  -2.190
  133   2HB   LEU  19          1HB       LEU  19   3.034   2.231  -1.153
  134    HG   LEU  19           HG       LEU  19   4.127   4.707  -0.405
  135   1HD1  LEU  19          1HD1      LEU  19   2.164   6.065   0.122
  136   2HD1  LEU  19          2HD1      LEU  19   1.102   4.853  -0.595
  137   3HD1  LEU  19          3HD1      LEU  19   2.217   5.763  -1.615
  138   1HD2  LEU  19          1HD2      LEU  19   3.149   4.180   1.713
  139   2HD2  LEU  19          2HD2      LEU  19   3.523   2.641   0.943
  140   3HD2  LEU  19          3HD2      LEU  19   1.866   3.237   0.957
  141    H    ALA  20           H        ALA  20   5.247   1.113  -1.609
  142    HA   ALA  20           HA       ALA  20   4.832  -0.222  -4.251
  143   1HB   ALA  20          1HB       ALA  20   7.089  -0.155  -4.493
  144   2HB   ALA  20          2HB       ALA  20   7.192  -1.257  -3.120
  145   3HB   ALA  20          3HB       ALA  20   7.294   0.485  -2.863
  146    H    CYS  21           H        CYS  21   3.262  -1.698  -3.642
  147    HA   CYS  21           HA       CYS  21   2.819  -2.785  -1.094
  148   1HB   CYS  21          2HB       CYS  21   1.341  -2.805  -3.136
  149   2HB   CYS  21          1HB       CYS  21   2.348  -4.096  -3.787
  150    H    ARG  22           H        ARG  22   4.875  -3.450  -0.180
  151    HA   ARG  22           HA       ARG  22   6.645  -5.333  -1.473
  152   1HB   ARG  22          2HB       ARG  22   6.778  -3.637   0.629
  153   2HB   ARG  22          1HB       ARG  22   6.485  -5.146   1.494
  154   1HG   ARG  22          2HG       ARG  22   8.728  -5.453   1.318
  155   2HG   ARG  22          1HG       ARG  22   8.375  -5.913  -0.348
  156   1HD   ARG  22          2HD       ARG  22   8.689  -2.993   0.260
  157   2HD   ARG  22          1HD       ARG  22  10.148  -3.998   0.156
  158    HE   ARG  22           HE       ARG  22   8.567  -3.215  -2.091
  159   1HH1  ARG  22          1HH1      ARG  22  10.743  -5.518  -0.856
  160   2HH1  ARG  22          2HH1      ARG  22  10.698  -6.539  -2.253
  161   1HH2  ARG  22          1HH2      ARG  22   8.194  -4.725  -3.824
  162   2HH2  ARG  22          2HH2      ARG  22   9.254  -6.091  -3.935
  163    H    SER  23           H        SER  23   6.466  -7.543  -1.562
  164    HA   SER  23           HA       SER  23   4.109  -8.918  -0.759
  165   1HB   SER  23          2HB       SER  23   6.541  -9.365  -2.198
  166   2HB   SER  23          1HB       SER  23   6.304 -10.708  -1.081
  167    HG   SER  23           HG       SER  23   5.239 -10.740  -3.269
  168    H    ASP  24           H        ASP  24   6.749  -7.884   1.107
  169    HA   ASP  24           HA       ASP  24   6.834 -10.132   2.979
  170   1HB   ASP  24          2HB       ASP  24   8.657  -8.411   2.364
  171   2HB   ASP  24          1HB       ASP  24   7.787  -7.295   3.418
  172    H    GLY  25           H        GLY  25   4.214  -9.661   2.883
  173   1HA   GLY  25          2HA       GLY  25   2.832  -9.535   4.996
  174   2HA   GLY  25          1HA       GLY  25   3.615  -7.980   5.284
  175    H    LYS  26           H        LYS  26   3.020  -8.539   1.988
  176    HA   LYS  26           HA       LYS  26   1.608  -7.339   0.504
  177   1HB   LYS  26          2HB       LYS  26   0.031  -8.781   2.575
  178   2HB   LYS  26          1HB       LYS  26  -0.863  -7.637   1.573
  179   1HG   LYS  26          2HG       LYS  26  -0.850  -9.918   0.588
  180   2HG   LYS  26          1HG       LYS  26  -0.054  -8.742  -0.458
  181   1HD   LYS  26          2HD       LYS  26   2.035  -9.639  -0.112
  182   2HD   LYS  26          1HD       LYS  26   1.655 -10.153   1.532
  183   1HE   LYS  26          2HE       LYS  26   0.337 -12.029   0.701
  184   2HE   LYS  26          1HE       LYS  26   0.550 -11.475  -0.972
  185   1HZ   LYS  26          1HZ       LYS  26   2.847 -11.839  -0.875
  186   2HZ   LYS  26          2HZ       LYS  26   2.182 -13.214  -0.133
  187   3HZ   LYS  26          3HZ       LYS  26   2.855 -11.975   0.815
  188    H    TYR  27           H        TYR  27   2.870  -5.411   1.828
  189    HA   TYR  27           HA       TYR  27   0.684  -3.557   2.721
  190   1HB   TYR  27          2HB       TYR  27   2.155  -2.797   4.495
  191   2HB   TYR  27          1HB       TYR  27   2.077  -4.556   4.574
  192    HD1  TYR  27           1HD      TYR  27   4.013  -5.895   4.270
  193    HD2  TYR  27           2HD      TYR  27   4.134  -1.703   3.340
  194    HE1  TYR  27           1HE      TYR  27   6.474  -6.026   4.000
  195    HE2  TYR  27           2HE      TYR  27   6.596  -1.834   3.070
  196    HH   TYR  27           HH       TYR  27   8.312  -4.940   3.359
  197    H    CYS  28           H        CYS  28   0.951  -1.388   2.032
  198    HA   CYS  28           HA       CYS  28   2.793  -1.017  -0.244
  199   1HB   CYS  28          2HB       CYS  28   0.548   0.552   1.033
  200   2HB   CYS  28          1HB       CYS  28   1.478   1.177  -0.327
  201    H    ALA  29           H        ALA  29   4.706   0.046  -0.091
  202    HA   ALA  29           HA       ALA  29   5.073   2.216   1.890
  203   1HB   ALA  29          1HB       ALA  29   6.689  -0.358   1.848
  204   2HB   ALA  29          2HB       ALA  29   5.652   0.209   3.157
  205   3HB   ALA  29          3HB       ALA  29   7.140   1.074   2.774
  206    H    TRP  30           H        TRP  30   6.026   3.824   0.663
  207    HA   TRP  30           HA       TRP  30   7.310   3.192  -1.879
  208   1HB   TRP  30          2HB       TRP  30   7.584   5.675  -1.955
  209   2HB   TRP  30          1HB       TRP  30   5.934   5.198  -1.570
  210    HD1  TRP  30           HD       TRP  30   9.104   5.713   0.594
  211    HE1  TRP  30           1HE      TRP  30   8.461   7.149   2.612
  212    HE3  TRP  30           3HE      TRP  30   4.174   6.546  -0.446
  213    HZ2  TRP  30           2HZ      TRP  30   6.168   8.502   3.662
  214    HZ3  TRP  30           3HZ      TRP  30   2.787   7.915   1.078
  215    HH2  TRP  30           HH       TRP  30   3.775   8.897   3.130
  216    H    ASP  31           H        ASP  31   9.543   3.943  -2.386
  217    HA   ASP  31           HA       ASP  31  11.367   3.403  -0.086
  218   1HB   ASP  31          2HB       ASP  31  11.262   2.817  -2.967
  219   2HB   ASP  31          1HB       ASP  31  12.849   3.354  -2.417
  220    H    GLY  32           H        GLY  32  11.681   5.465   0.833
  221   1HA   GLY  32          2HA       GLY  32  12.931   7.486  -0.980
  222   2HA   GLY  32          1HA       GLY  32  11.733   7.971   0.220
  223    H    THR  33           H        THR  33  14.782   8.433  -0.150
  224    HA   THR  33           HA       THR  33  15.557   7.650   2.641
  225    HB   THR  33           HB       THR  33  17.100   7.871   0.049
  226    HG1  THR  33           1HG      THR  33  16.554   5.848   1.945
  227   1HG2  THR  33          1HG2      THR  33  18.897   8.542   1.226
  228   2HG2  THR  33          2HG2      THR  33  18.834   7.000   2.079
  229   3HG2  THR  33          3HG2      THR  33  18.013   8.411   2.747
  230    H    PHE  34           H        PHE  34  17.031   9.877   0.300
  231    HA   PHE  34           HA       PHE  34  17.838  11.885   2.032
  232   1HB   PHE  34          2HB       PHE  34  17.415  13.388  -0.014
  233   2HB   PHE  34          1HB       PHE  34  18.418  11.963  -0.282
  234    HD1  PHE  34           1HD      PHE  34  17.725  10.212  -1.744
  235    HD2  PHE  34           2HD      PHE  34  14.972  13.321  -0.644
  236    HE1  PHE  34           1HE      PHE  34  16.132   9.411  -3.467
  237    HE2  PHE  34           2HE      PHE  34  13.378  12.519  -2.366
  238    HZ   PHE  34           HZ       PHE  34  13.959  10.564  -3.778
  Start of MODEL    8
    1   1H    THR   1          1HT       THR   1  -8.392   7.553  -6.359
    2   2H    THR   1          2HT       THR   1  -7.484   6.284  -7.028
    3   3H    THR   1          3HT       THR   1  -6.737   7.426  -6.015
    4    HA   THR   1           HA       THR   1  -8.033   6.651  -4.124
    5    HB   THR   1           HB       THR   1  -9.297   4.400  -4.855
    6    HG1  THR   1           1HG      THR   1 -10.007   4.508  -6.920
    7   1HG2  THR   1          1HG2      THR   1 -10.228   7.258  -5.132
    8   2HG2  THR   1          2HG2      THR   1 -10.494   6.153  -3.785
    9   3HG2  THR   1          3HG2      THR   1 -11.329   5.892  -5.315
   10    H    CYS   2           H        CYS   2  -5.911   6.109  -3.428
   11    HA   CYS   2           HA       CYS   2  -5.010   3.348  -4.168
   12   1HB   CYS   2          2HB       CYS   2  -2.671   4.385  -3.975
   13   2HB   CYS   2          1HB       CYS   2  -3.612   4.823  -5.397
   14    H    ARG   3           H        ARG   3  -3.154   2.730  -2.549
   15    HA   ARG   3           HA       ARG   3  -4.197   3.254   0.197
   16   1HB   ARG   3          2HB       ARG   3  -2.878   1.056  -1.284
   17   2HB   ARG   3          1HB       ARG   3  -2.339   1.250   0.385
   18   1HG   ARG   3          2HG       ARG   3  -5.274   1.384  -0.095
   19   2HG   ARG   3          1HG       ARG   3  -4.513  -0.198  -0.261
   20   1HD   ARG   3          2HD       ARG   3  -3.910  -0.296   1.983
   21   2HD   ARG   3          1HD       ARG   3  -3.834   1.470   2.143
   22    HE   ARG   3           HE       ARG   3  -6.466   0.150   1.659
   23   1HH1  ARG   3          1HH1      ARG   3  -4.913   2.910   2.719
   24   2HH1  ARG   3          2HH1      ARG   3  -5.874   3.125   4.145
   25   1HH2  ARG   3          1HH2      ARG   3  -7.463   0.058   3.860
   26   2HH2  ARG   3          2HH2      ARG   3  -7.316   1.511   4.790
   27    H    TYR   4           H        TYR   4  -2.654   3.787   1.897
   28    HA   TYR   4           HA       TYR   4  -0.253   5.232   0.845
   29   1HB   TYR   4          2HB       TYR   4  -1.608   5.435   3.548
   30   2HB   TYR   4          1HB       TYR   4  -0.497   6.593   2.815
   31    HD1  TYR   4           1HD      TYR   4  -3.937   5.464   3.035
   32    HD2  TYR   4           2HD      TYR   4  -1.196   7.840   0.736
   33    HE1  TYR   4           1HE      TYR   4  -5.845   6.609   1.944
   34    HE2  TYR   4           2HE      TYR   4  -3.105   8.987  -0.355
   35    HH   TYR   4           HH       TYR   4  -5.879   8.024  -0.683
   36    H    LEU   5           H        LEU   5   1.052   5.411   3.325
   37    HA   LEU   5           HA       LEU   5   2.923   3.446   3.416
   38   1HB   LEU   5          2HB       LEU   5   1.570   5.127   5.472
   39   2HB   LEU   5          1HB       LEU   5   2.668   3.875   6.050
   40    HG   LEU   5           HG       LEU   5   3.730   5.416   3.785
   41   1HD1  LEU   5          1HD1      LEU   5   2.752   7.346   4.684
   42   2HD1  LEU   5          2HD1      LEU   5   4.317   7.310   5.496
   43   3HD1  LEU   5          3HD1      LEU   5   2.871   6.752   6.340
   44   1HD2  LEU   5          1HD2      LEU   5   4.706   4.666   6.558
   45   2HD2  LEU   5          2HD2      LEU   5   5.695   5.498   5.358
   46   3HD2  LEU   5          3HD2      LEU   5   5.113   3.864   5.040
   47    H    PHE   6           H        PHE   6   3.133   1.351   4.043
   48    HA   PHE   6           HA       PHE   6   2.340  -0.860   4.387
   49   1HB   PHE   6          2HB       PHE   6   1.302   0.603   6.832
   50   2HB   PHE   6          1HB       PHE   6   1.809  -1.086   6.748
   51    HD1  PHE   6           1HD      PHE   6   4.252  -1.438   5.720
   52    HD2  PHE   6           2HD      PHE   6   2.865   2.160   7.610
   53    HE1  PHE   6           1HE      PHE   6   6.596  -0.763   6.151
   54    HE2  PHE   6           2HE      PHE   6   5.213   2.837   8.043
   55    HZ   PHE   6           HZ       PHE   6   7.078   1.374   7.309
   56    H    GLY   7           H        GLY   7   0.393   0.935   2.945
   57   1HA   GLY   7          2HA       GLY   7  -2.256   0.531   3.921
   58   2HA   GLY   7          1HA       GLY   7  -1.843   0.796   2.226
   59    H    GLY   8           H        GLY   8  -3.328  -1.371   4.195
   60   1HA   GLY   8          2HA       GLY   8  -2.383  -3.927   3.644
   61   2HA   GLY   8          1HA       GLY   8  -4.104  -3.552   3.735
   62    H    CYS   9           H        CYS   9  -1.433  -4.167   1.598
   63    HA   CYS   9           HA       CYS   9  -3.285  -3.968  -0.757
   64   1HB   CYS   9          2HB       CYS   9  -1.347  -3.231  -1.982
   65   2HB   CYS   9          1HB       CYS   9  -1.463  -2.284  -0.497
   66    H    LYS  10           H        LYS  10  -2.895  -5.452  -2.456
   67    HA   LYS  10           HA       LYS  10  -1.523  -7.988  -1.629
   68   1HB   LYS  10          2HB       LYS  10  -4.150  -7.679  -2.035
   69   2HB   LYS  10          1HB       LYS  10  -3.667  -7.850  -3.723
   70   1HG   LYS  10          2HG       LYS  10  -2.499  -9.810  -1.821
   71   2HG   LYS  10          1HG       LYS  10  -4.225  -9.970  -2.144
   72   1HD   LYS  10          2HD       LYS  10  -3.493  -9.703  -4.654
   73   2HD   LYS  10          1HD       LYS  10  -1.915 -10.211  -4.047
   74   1HE   LYS  10          2HE       LYS  10  -3.220 -12.176  -4.790
   75   2HE   LYS  10          1HE       LYS  10  -2.999 -12.227  -3.030
   76   1HZ   LYS  10          1HZ       LYS  10  -5.379 -12.450  -4.080
   77   2HZ   LYS  10          2HZ       LYS  10  -5.292 -10.753  -4.107
   78   3HZ   LYS  10          3HZ       LYS  10  -5.142 -11.591  -2.638
   79    H    THR  11           H        THR  11  -1.405  -5.296  -3.627
   80    HA   THR  11           HA       THR  11   0.580  -6.590  -5.413
   81    HB   THR  11           HB       THR  11  -0.713  -5.572  -7.391
   82    HG1  THR  11           1HG      THR  11  -2.216  -4.319  -6.520
   83   1HG2  THR  11          1HG2      THR  11  -1.877  -7.571  -7.723
   84   2HG2  THR  11          2HG2      THR  11  -2.323  -7.709  -6.022
   85   3HG2  THR  11          3HG2      THR  11  -0.668  -8.045  -6.531
   86    H    THR  12           H        THR  12   1.818  -4.934  -6.628
   87    HA   THR  12           HA       THR  12   2.432  -2.596  -5.076
   88    HB   THR  12           HB       THR  12   3.160  -2.579  -7.928
   89    HG1  THR  12           1HG      THR  12   4.033  -4.527  -8.009
   90   1HG2  THR  12          1HG2      THR  12   5.055  -3.039  -5.661
   91   2HG2  THR  12          2HG2      THR  12   4.215  -1.491  -5.749
   92   3HG2  THR  12          3HG2      THR  12   5.239  -2.016  -7.085
   93    H    ALA  13           H        ALA  13   0.399  -3.089  -7.949
   94    HA   ALA  13           HA       ALA  13  -0.016  -0.284  -8.512
   95   1HB   ALA  13          1HB       ALA  13  -1.934  -1.262  -9.853
   96   2HB   ALA  13          2HB       ALA  13  -1.523  -2.832  -9.165
   97   3HB   ALA  13          3HB       ALA  13  -0.363  -1.987 -10.190
   98    H    ASP  14           H        ASP  14  -0.981  -2.109  -5.876
   99    HA   ASP  14           HA       ASP  14  -3.665  -0.939  -5.563
  100   1HB   ASP  14          2HB       ASP  14  -2.149  -3.160  -4.610
  101   2HB   ASP  14          1HB       ASP  14  -2.628  -2.204  -3.207
  102    H    CYS  15           H        CYS  15  -0.594   0.299  -5.142
  103    HA   CYS  15           HA       CYS  15  -1.369   1.830  -2.683
  104   1HB   CYS  15          2HB       CYS  15   1.358   1.998  -3.883
  105   2HB   CYS  15          1HB       CYS  15   0.884   1.983  -2.192
  106    H    CYS  16           H        CYS  16  -0.188   4.100  -2.805
  107    HA   CYS  16           HA       CYS  16  -1.449   5.607  -4.948
  108   1HB   CYS  16          2HB       CYS  16   0.340   6.201  -2.579
  109   2HB   CYS  16          1HB       CYS  16  -0.147   7.476  -3.699
  110    H    LYS  17           H        LYS  17   0.290   7.526  -5.741
  111    HA   LYS  17           HA       LYS  17   2.078   6.057  -7.542
  112   1HB   LYS  17          2HB       LYS  17   0.739   7.947  -8.315
  113   2HB   LYS  17          1HB       LYS  17   1.480   9.000  -7.107
  114   1HG   LYS  17          2HG       LYS  17   3.316   9.338  -8.385
  115   2HG   LYS  17          1HG       LYS  17   3.463   7.620  -8.761
  116   1HD   LYS  17          2HD       LYS  17   1.156   8.513 -10.123
  117   2HD   LYS  17          1HD       LYS  17   2.390   9.744 -10.400
  118   1HE   LYS  17          2HE       LYS  17   2.633   8.065 -12.139
  119   2HE   LYS  17          1HE       LYS  17   3.983   7.844 -11.008
  120   1HZ   LYS  17          1HZ       LYS  17   1.390   6.391 -10.916
  121   2HZ   LYS  17          2HZ       LYS  17   2.670   6.199  -9.817
  122   3HZ   LYS  17          3HZ       LYS  17   2.864   5.737 -11.441
  123    H    HIS  18           H        HIS  18   2.940   5.678  -4.917
  124    HA   HIS  18           HA       HIS  18   5.674   6.732  -5.079
  125   1HB   HIS  18          2HB       HIS  18   3.651   7.633  -3.025
  126   2HB   HIS  18          1HB       HIS  18   5.376   7.664  -2.669
  127    HD1  HIS  18           1HD      HIS  18   3.055  10.018  -3.515
  128    HD2  HIS  18           2HD      HIS  18   6.580   8.880  -5.427
  129    HE1  HIS  18           1HE      HIS  18   3.741  11.971  -4.974
  130    H    LEU  19           H        LEU  19   3.211   5.010  -3.197
  131    HA   LEU  19           HA       LEU  19   5.152   3.521  -1.614
  132   1HB   LEU  19          2HB       LEU  19   2.170   3.447  -2.069
  133   2HB   LEU  19          1HB       LEU  19   2.979   2.305  -0.993
  134    HG   LEU  19           HG       LEU  19   4.036   4.799  -0.297
  135   1HD1  LEU  19          1HD1      LEU  19   1.474   5.647   0.294
  136   2HD1  LEU  19          2HD1      LEU  19   1.308   5.046  -1.356
  137   3HD1  LEU  19          3HD1      LEU  19   2.489   6.303  -0.990
  138   1HD2  LEU  19          1HD2      LEU  19   3.560   2.999   1.263
  139   2HD2  LEU  19          2HD2      LEU  19   1.832   3.129   0.944
  140   3HD2  LEU  19          3HD2      LEU  19   2.676   4.433   1.778
  141    H    ALA  20           H        ALA  20   5.296   1.165  -1.665
  142    HA   ALA  20           HA       ALA  20   4.728  -0.068  -4.331
  143   1HB   ALA  20          1HB       ALA  20   7.221  -0.780  -2.863
  144   2HB   ALA  20          2HB       ALA  20   7.168   0.834  -3.569
  145   3HB   ALA  20          3HB       ALA  20   6.961  -0.584  -4.596
  146    H    CYS  21           H        CYS  21   3.148  -1.532  -3.661
  147    HA   CYS  21           HA       CYS  21   2.812  -2.738  -1.174
  148   1HB   CYS  21          2HB       CYS  21   1.309  -2.751  -3.198
  149   2HB   CYS  21          1HB       CYS  21   2.338  -4.011  -3.881
  150    H    ARG  22           H        ARG  22   4.199  -4.026  -0.033
  151    HA   ARG  22           HA       ARG  22   6.239  -5.617  -1.517
  152   1HB   ARG  22          2HB       ARG  22   6.544  -3.896   0.494
  153   2HB   ARG  22          1HB       ARG  22   6.144  -5.316   1.462
  154   1HG   ARG  22          2HG       ARG  22   8.462  -5.515   1.294
  155   2HG   ARG  22          1HG       ARG  22   7.927  -6.504  -0.066
  156   1HD   ARG  22          2HD       ARG  22   8.231  -4.572  -1.592
  157   2HD   ARG  22          1HD       ARG  22   8.807  -3.598  -0.224
  158    HE   ARG  22           HE       ARG  22  10.853  -4.768  -0.351
  159   1HH1  ARG  22          1HH1      ARG  22  10.313  -5.489  -3.195
  160   2HH1  ARG  22          2HH1      ARG  22  10.451  -7.216  -3.171
  161   1HH2  ARG  22          1HH2      ARG  22  10.163  -7.457   0.275
  162   2HH2  ARG  22          2HH2      ARG  22  10.368  -8.329  -1.207
  163    H    SER  23           H        SER  23   5.866  -7.777  -1.741
  164    HA   SER  23           HA       SER  23   3.600  -9.141  -0.747
  165   1HB   SER  23          2HB       SER  23   5.254 -11.142  -1.360
  166   2HB   SER  23          1HB       SER  23   4.572 -10.106  -2.612
  167    HG   SER  23           HG       SER  23   6.806 -10.238  -2.863
  168    H    ASP  24           H        ASP  24   6.638  -8.436   0.775
  169    HA   ASP  24           HA       ASP  24   6.537 -10.632   2.707
  170   1HB   ASP  24          2HB       ASP  24   8.493  -9.515   3.607
  171   2HB   ASP  24          1HB       ASP  24   8.590  -9.423   1.848
  172    H    GLY  25           H        GLY  25   4.081  -9.740   2.987
  173   1HA   GLY  25          2HA       GLY  25   3.166  -9.274   5.338
  174   2HA   GLY  25          1HA       GLY  25   4.095  -7.777   5.243
  175    H    LYS  26           H        LYS  26   3.010  -8.447   2.173
  176    HA   LYS  26           HA       LYS  26   1.413  -7.309   0.841
  177   1HB   LYS  26          2HB       LYS  26  -0.102  -8.288   3.278
  178   2HB   LYS  26          1HB       LYS  26  -0.908  -7.643   1.847
  179   1HG   LYS  26          2HG       LYS  26  -0.193  -9.417   0.486
  180   2HG   LYS  26          1HG       LYS  26   1.131  -9.840   1.573
  181   1HD   LYS  26          2HD       LYS  26  -0.553 -11.519   1.882
  182   2HD   LYS  26          1HD       LYS  26  -0.635 -10.465   3.294
  183   1HE   LYS  26          2HE       LYS  26  -2.333  -9.367   1.250
  184   2HE   LYS  26          1HE       LYS  26  -2.744 -11.078   1.486
  185   1HZ   LYS  26          1HZ       LYS  26  -2.183  -9.394   3.829
  186   2HZ   LYS  26          2HZ       LYS  26  -3.163 -10.777   3.708
  187   3HZ   LYS  26          3HZ       LYS  26  -3.708  -9.290   3.094
  188    H    TYR  27           H        TYR  27   2.862  -5.338   1.880
  189    HA   TYR  27           HA       TYR  27   0.821  -3.377   2.859
  190   1HB   TYR  27          2HB       TYR  27   2.280  -2.686   4.629
  191   2HB   TYR  27          1HB       TYR  27   2.252  -4.446   4.685
  192    HD1  TYR  27           1HD      TYR  27   4.213  -1.512   3.506
  193    HD2  TYR  27           2HD      TYR  27   4.217  -5.734   4.298
  194    HE1  TYR  27           1HE      TYR  27   6.676  -1.567   3.211
  195    HE2  TYR  27           2HE      TYR  27   6.678  -5.788   4.001
  196    HH   TYR  27           HH       TYR  27   8.469  -2.905   2.979
  197    H    CYS  28           H        CYS  28   0.980  -1.406   1.824
  198    HA   CYS  28           HA       CYS  28   2.946  -1.098  -0.332
  199   1HB   CYS  28          2HB       CYS  28   0.600   0.462   0.749
  200   2HB   CYS  28          1HB       CYS  28   1.611   1.104  -0.544
  201    H    ALA  29           H        ALA  29   4.850  -0.028  -0.149
  202    HA   ALA  29           HA       ALA  29   5.125   2.175   1.843
  203   1HB   ALA  29          1HB       ALA  29   5.888   0.171   2.997
  204   2HB   ALA  29          2HB       ALA  29   7.307   1.121   2.560
  205   3HB   ALA  29          3HB       ALA  29   6.871  -0.301   1.611
  206    H    TRP  30           H        TRP  30   6.061   3.890   0.765
  207    HA   TRP  30           HA       TRP  30   7.127   3.512  -1.922
  208   1HB   TRP  30          2HB       TRP  30   7.389   5.995  -1.772
  209   2HB   TRP  30          1HB       TRP  30   5.774   5.450  -1.322
  210    HD1  TRP  30           HD       TRP  30   9.091   5.811   0.634
  211    HE1  TRP  30           1HE      TRP  30   8.588   7.015   2.837
  212    HE3  TRP  30           3HE      TRP  30   4.077   6.614   0.081
  213    HZ2  TRP  30           2HZ      TRP  30   6.363   8.191   4.202
  214    HZ3  TRP  30           3HZ      TRP  30   2.795   7.785   1.847
  215    HH2  TRP  30           HH       TRP  30   3.929   8.575   3.905
  216    H    ASP  31           H        ASP  31   9.292   4.379  -2.545
  217    HA   ASP  31           HA       ASP  31  11.323   3.685  -0.462
  218   1HB   ASP  31          2HB       ASP  31  12.726   3.130  -2.406
  219   2HB   ASP  31          1HB       ASP  31  11.176   2.295  -2.517
  220    H    GLY  32           H        GLY  32   9.911   6.377  -1.678
  221   1HA   GLY  32          2HA       GLY  32  10.734   8.604  -1.190
  222   2HA   GLY  32          1HA       GLY  32  12.382   7.980  -1.278
  223    H    THR  33           H        THR  33  10.972  10.228  -2.766
  224    HA   THR  33           HA       THR  33  11.215   9.233  -5.567
  225    HB   THR  33           HB       THR  33  10.332  11.811  -5.705
  226    HG1  THR  33           1HG      THR  33  10.109  12.309  -3.645
  227   1HG2  THR  33          1HG2      THR  33   9.317   9.313  -6.185
  228   2HG2  THR  33          2HG2      THR  33   8.427  10.815  -6.436
  229   3HG2  THR  33          3HG2      THR  33   8.217   9.906  -4.940
  230    H    PHE  34           H        PHE  34  12.104  12.190  -3.768
  231    HA   PHE  34           HA       PHE  34  14.296  12.748  -5.650
  232   1HB   PHE  34          2HB       PHE  34  12.920  14.055  -3.338
  233   2HB   PHE  34          1HB       PHE  34  14.540  14.616  -3.754
  234    HD1  PHE  34           1HD      PHE  34  14.693  16.354  -5.290
  235    HD2  PHE  34           2HD      PHE  34  11.356  13.658  -5.509
  236    HE1  PHE  34           1HE      PHE  34  13.757  17.665  -7.175
  237    HE2  PHE  34           2HE      PHE  34  10.419  14.970  -7.394
  238    HZ   PHE  34           HZ       PHE  34  11.621  16.974  -8.227
  Start of MODEL    9
    1   1H    THR   1          1HT       THR   1  -8.800   6.749  -2.128
    2   2H    THR   1          2HT       THR   1  -9.077   8.113  -3.102
    3   3H    THR   1          3HT       THR   1  -7.673   8.016  -2.151
    4    HA   THR   1           HA       THR   1  -8.298   6.162  -4.394
    5    HB   THR   1           HB       THR   1  -8.036   8.485  -5.136
    6    HG1  THR   1           1HG      THR   1  -6.071   6.583  -5.575
    7   1HG2  THR   1          1HG2      THR   1  -6.941   9.678  -3.486
    8   2HG2  THR   1          2HG2      THR   1  -5.604   9.418  -4.608
    9   3HG2  THR   1          3HG2      THR   1  -5.774   8.390  -3.185
   10    H    CYS   2           H        CYS   2  -6.585   4.697  -4.788
   11    HA   CYS   2           HA       CYS   2  -5.022   3.111  -3.930
   12   1HB   CYS   2          2HB       CYS   2  -2.789   4.218  -3.913
   13   2HB   CYS   2          1HB       CYS   2  -3.772   4.699  -5.295
   14    H    ARG   3           H        ARG   3  -2.881   3.493  -2.197
   15    HA   ARG   3           HA       ARG   3  -4.123   4.226   0.418
   16   1HB   ARG   3          2HB       ARG   3  -3.888   1.648  -0.567
   17   2HB   ARG   3          1HB       ARG   3  -2.438   1.816   0.426
   18   1HG   ARG   3          2HG       ARG   3  -3.624   1.943   2.368
   19   2HG   ARG   3          1HG       ARG   3  -4.922   2.881   1.628
   20   1HD   ARG   3          2HD       ARG   3  -4.855   0.205   0.505
   21   2HD   ARG   3          1HD       ARG   3  -5.013   0.144   2.273
   22    HE   ARG   3           HE       ARG   3  -6.713   2.131   0.904
   23   1HH1  ARG   3          1HH1      ARG   3  -6.905   0.539   3.633
   24   2HH1  ARG   3          2HH1      ARG   3  -8.353  -0.359   3.321
   25   1HH2  ARG   3          1HH2      ARG   3  -8.356   0.310  -0.080
   26   2HH2  ARG   3          2HH2      ARG   3  -9.174  -0.489   1.220
   27    H    TYR   4           H        TYR   4  -2.383   4.370   2.145
   28    HA   TYR   4           HA       TYR   4   0.102   5.505   0.940
   29   1HB   TYR   4          2HB       TYR   4  -1.062   5.742   3.732
   30   2HB   TYR   4          1HB       TYR   4   0.234   6.724   3.047
   31    HD1  TYR   4           1HD      TYR   4  -3.079   6.892   3.882
   32    HD2  TYR   4           2HD      TYR   4  -0.531   7.576   0.491
   33    HE1  TYR   4           1HE      TYR   4  -4.759   8.450   2.934
   34    HE2  TYR   4           2HE      TYR   4  -2.212   9.134  -0.456
   35    HH   TYR   4           HH       TYR   4  -4.280   9.949  -0.257
   36    H    LEU   5           H        LEU   5   1.673   5.372   3.246
   37    HA   LEU   5           HA       LEU   5   3.145   3.049   3.029
   38   1HB   LEU   5          2HB       LEU   5   2.589   5.016   5.212
   39   2HB   LEU   5          1HB       LEU   5   3.548   3.590   5.608
   40    HG   LEU   5           HG       LEU   5   4.201   5.226   3.172
   41   1HD1  LEU   5          1HD1      LEU   5   5.956   6.274   4.817
   42   2HD1  LEU   5          2HD1      LEU   5   4.777   5.845   6.057
   43   3HD1  LEU   5          3HD1      LEU   5   4.326   6.944   4.754
   44   1HD2  LEU   5          1HD2      LEU   5   6.420   4.188   4.680
   45   2HD2  LEU   5          2HD2      LEU   5   5.900   3.753   3.051
   46   3HD2  LEU   5          3HD2      LEU   5   5.232   2.905   4.445
   47    H    PHE   6           H        PHE   6   3.169   1.022   3.964
   48    HA   PHE   6           HA       PHE   6   2.193  -0.965   4.773
   49   1HB   PHE   6          2HB       PHE   6   1.213   0.975   6.882
   50   2HB   PHE   6          1HB       PHE   6   1.642  -0.723   7.105
   51    HD1  PHE   6           1HD      PHE   6   4.098  -0.895   5.442
   52    HD2  PHE   6           2HD      PHE   6   2.820   2.126   8.216
   53    HE1  PHE   6           1HE      PHE   6   6.460  -0.253   5.829
   54    HE2  PHE   6           2HE      PHE   6   5.185   2.767   8.604
   55    HZ   PHE   6           HZ       PHE   6   7.004   1.577   7.406
   56    H    GLY   7           H        GLY   7   0.473   0.686   2.937
   57   1HA   GLY   7          2HA       GLY   7  -2.242   0.518   3.977
   58   2HA   GLY   7          1HA       GLY   7  -1.799   0.838   2.299
   59    H    GLY   8           H        GLY   8  -3.393  -1.351   4.153
   60   1HA   GLY   8          2HA       GLY   8  -2.562  -3.919   3.555
   61   2HA   GLY   8          1HA       GLY   8  -4.267  -3.466   3.547
   62    H    CYS   9           H        CYS   9  -1.618  -4.415   1.596
   63    HA   CYS   9           HA       CYS   9  -3.250  -3.920  -0.868
   64   1HB   CYS   9          2HB       CYS   9  -1.200  -3.284  -1.944
   65   2HB   CYS   9          1HB       CYS   9  -1.323  -2.398  -0.420
   66    H    LYS  10           H        LYS  10  -2.897  -5.364  -2.576
   67    HA   LYS  10           HA       LYS  10  -1.670  -7.998  -1.842
   68   1HB   LYS  10          2HB       LYS  10  -4.304  -7.172  -2.944
   69   2HB   LYS  10          1HB       LYS  10  -3.569  -8.579  -3.715
   70   1HG   LYS  10          2HG       LYS  10  -3.770  -9.880  -1.843
   71   2HG   LYS  10          1HG       LYS  10  -3.484  -8.527  -0.747
   72   1HD   LYS  10          2HD       LYS  10  -5.861  -7.771  -1.806
   73   2HD   LYS  10          1HD       LYS  10  -6.033  -9.524  -1.895
   74   1HE   LYS  10          2HE       LYS  10  -5.045  -8.232   0.648
   75   2HE   LYS  10          1HE       LYS  10  -6.784  -8.345   0.307
   76   1HZ   LYS  10          1HZ       LYS  10  -6.563 -10.698  -0.055
   77   2HZ   LYS  10          2HZ       LYS  10  -5.917 -10.324   1.472
   78   3HZ   LYS  10          3HZ       LYS  10  -4.882 -10.625   0.159
   79    H    THR  11           H        THR  11  -1.472  -5.269  -3.754
   80    HA   THR  11           HA       THR  11   0.331  -6.611  -5.682
   81    HB   THR  11           HB       THR  11  -1.196  -5.080  -7.378
   82    HG1  THR  11           1HG      THR  11  -3.119  -4.879  -6.598
   83   1HG2  THR  11          1HG2      THR  11  -0.469  -7.690  -7.163
   84   2HG2  THR  11          2HG2      THR  11  -1.576  -7.085  -8.394
   85   3HG2  THR  11          3HG2      THR  11  -2.212  -7.822  -6.923
   86    H    THR  12           H        THR  12   1.470  -4.897  -7.035
   87    HA   THR  12           HA       THR  12   2.373  -2.713  -5.372
   88    HB   THR  12           HB       THR  12   2.721  -3.476  -8.282
   89    HG1  THR  12           1HG      THR  12   4.327  -4.590  -7.523
   90   1HG2  THR  12          1HG2      THR  12   3.251  -1.231  -8.436
   91   2HG2  THR  12          2HG2      THR  12   4.801  -1.869  -7.888
   92   3HG2  THR  12          3HG2      THR  12   3.702  -1.114  -6.735
   93    H    ALA  13           H        ALA  13   0.400  -2.788  -8.368
   94    HA   ALA  13           HA       ALA  13  -0.026   0.023  -8.573
   95   1HB   ALA  13          1HB       ALA  13  -1.630  -2.409  -9.408
   96   2HB   ALA  13          2HB       ALA  13  -0.496  -1.486 -10.393
   97   3HB   ALA  13          3HB       ALA  13  -2.036  -0.770  -9.917
   98    H    ASP  14           H        ASP  14  -1.187  -2.206  -6.251
   99    HA   ASP  14           HA       ASP  14  -3.757  -1.011  -5.675
  100   1HB   ASP  14          2HB       ASP  14  -2.421  -3.293  -5.023
  101   2HB   ASP  14          1HB       ASP  14  -2.222  -2.369  -3.533
  102    H    CYS  15           H        CYS  15  -0.589   0.143  -5.175
  103    HA   CYS  15           HA       CYS  15  -1.350   1.665  -2.722
  104   1HB   CYS  15          2HB       CYS  15   1.312   1.948  -4.040
  105   2HB   CYS  15          1HB       CYS  15   0.918   1.860  -2.330
  106    H    CYS  16           H        CYS  16  -0.214   3.965  -2.833
  107    HA   CYS  16           HA       CYS  16  -1.570   5.492  -4.911
  108   1HB   CYS  16          2HB       CYS  16   0.292   6.091  -2.597
  109   2HB   CYS  16          1HB       CYS  16  -0.296   7.363  -3.667
  110    H    LYS  17           H        LYS  17   0.256   7.458  -5.578
  111    HA   LYS  17           HA       LYS  17   1.970   6.002  -7.477
  112   1HB   LYS  17          2HB       LYS  17   1.000   8.793  -7.016
  113   2HB   LYS  17          1HB       LYS  17   2.441   8.572  -8.010
  114   1HG   LYS  17          2HG       LYS  17   0.933   6.698  -9.151
  115   2HG   LYS  17          1HG       LYS  17  -0.373   7.709  -8.532
  116   1HD   LYS  17          2HD       LYS  17  -0.082   9.040 -10.326
  117   2HD   LYS  17          1HD       LYS  17   1.474   9.509  -9.639
  118   1HE   LYS  17          2HE       LYS  17   2.121   7.097 -10.764
  119   2HE   LYS  17          1HE       LYS  17   0.899   7.696 -11.903
  120   1HZ   LYS  17          1HZ       LYS  17   3.529   8.730 -11.339
  121   2HZ   LYS  17          2HZ       LYS  17   2.319   9.922 -11.303
  122   3HZ   LYS  17          3HZ       LYS  17   2.542   8.973 -12.695
  123    H    HIS  18           H        HIS  18   2.853   5.607  -4.827
  124    HA   HIS  18           HA       HIS  18   5.598   6.660  -5.032
  125   1HB   HIS  18          2HB       HIS  18   3.944   7.272  -2.566
  126   2HB   HIS  18          1HB       HIS  18   5.556   7.868  -2.947
  127    HD1  HIS  18           1HD      HIS  18   1.947   8.479  -3.605
  128    HD2  HIS  18           2HD      HIS  18   5.605   9.899  -5.014
  129    HE1  HIS  18           1HE      HIS  18   1.441  10.585  -4.915
  130    H    LEU  19           H        LEU  19   3.193   4.832  -3.161
  131    HA   LEU  19           HA       LEU  19   5.269   3.372  -1.675
  132   1HB   LEU  19          2HB       LEU  19   2.260   3.052  -1.843
  133   2HB   LEU  19          1HB       LEU  19   3.309   2.371  -0.596
  134    HG   LEU  19           HG       LEU  19   3.938   5.120  -0.759
  135   1HD1  LEU  19          1HD1      LEU  19   1.594   5.979  -0.089
  136   2HD1  LEU  19          2HD1      LEU  19   0.984   4.527  -0.883
  137   3HD1  LEU  19          3HD1      LEU  19   1.908   5.713  -1.804
  138   1HD2  LEU  19          1HD2      LEU  19   2.860   5.092   1.551
  139   2HD2  LEU  19          2HD2      LEU  19   4.123   3.892   1.285
  140   3HD2  LEU  19          3HD2      LEU  19   2.426   3.414   1.229
  141    H    ALA  20           H        ALA  20   5.476   1.061  -1.745
  142    HA   ALA  20           HA       ALA  20   4.609  -0.217  -4.315
  143   1HB   ALA  20          1HB       ALA  20   7.053  -1.332  -3.385
  144   2HB   ALA  20          2HB       ALA  20   7.215   0.420  -3.252
  145   3HB   ALA  20          3HB       ALA  20   6.817  -0.314  -4.805
  146    H    CYS  21           H        CYS  21   3.151  -1.782  -3.682
  147    HA   CYS  21           HA       CYS  21   2.822  -2.884  -1.128
  148   1HB   CYS  21          2HB       CYS  21   1.278  -2.961  -3.103
  149   2HB   CYS  21          1HB       CYS  21   2.319  -4.190  -3.818
  150    H    ARG  22           H        ARG  22   4.610  -3.758  -0.066
  151    HA   ARG  22           HA       ARG  22   6.525  -5.493  -1.474
  152   1HB   ARG  22          2HB       ARG  22   6.253  -4.027   1.057
  153   2HB   ARG  22          1HB       ARG  22   7.031  -5.598   1.251
  154   1HG   ARG  22          2HG       ARG  22   8.185  -4.546  -1.065
  155   2HG   ARG  22          1HG       ARG  22   8.074  -3.166   0.030
  156   1HD   ARG  22          2HD       ARG  22   8.983  -5.025   1.774
  157   2HD   ARG  22          1HD       ARG  22   9.711  -5.640   0.276
  158    HE   ARG  22           HE       ARG  22  10.249  -2.981   0.072
  159   1HH1  ARG  22          1HH1      ARG  22  12.520  -4.685   0.747
  160   2HH1  ARG  22          2HH1      ARG  22  13.003  -4.121   2.311
  161   1HH2  ARG  22          1HH2      ARG  22  10.016  -2.469   2.928
  162   2HH2  ARG  22          2HH2      ARG  22  11.584  -2.867   3.547
  163    H    SER  23           H        SER  23   6.543  -7.729  -1.359
  164    HA   SER  23           HA       SER  23   4.212  -9.155  -0.525
  165   1HB   SER  23          2HB       SER  23   5.601 -11.108  -1.149
  166   2HB   SER  23          1HB       SER  23   5.725  -9.824  -2.349
  167    HG   SER  23           HG       SER  23   7.790 -10.057  -1.978
  168    H    ASP  24           H        ASP  24   6.775  -7.910   1.302
  169    HA   ASP  24           HA       ASP  24   6.980 -10.074   3.262
  170   1HB   ASP  24          2HB       ASP  24   8.022  -7.307   2.827
  171   2HB   ASP  24          1HB       ASP  24   8.061  -7.935   4.476
  172    H    GLY  25           H        GLY  25   4.336  -9.751   3.118
  173   1HA   GLY  25          2HA       GLY  25   2.914  -9.636   5.201
  174   2HA   GLY  25          1HA       GLY  25   3.617  -8.039   5.465
  175    H    LYS  26           H        LYS  26   3.251  -8.412   2.185
  176    HA   LYS  26           HA       LYS  26   1.749  -7.436   0.646
  177   1HB   LYS  26          2HB       LYS  26  -0.069  -8.531   2.812
  178   2HB   LYS  26          1HB       LYS  26  -0.659  -7.936   1.259
  179   1HG   LYS  26          2HG       LYS  26   1.064  -9.565   0.212
  180   2HG   LYS  26          1HG       LYS  26   1.104 -10.321   1.806
  181   1HD   LYS  26          2HD       LYS  26  -1.587 -10.083   1.417
  182   2HD   LYS  26          1HD       LYS  26  -1.031 -10.345  -0.236
  183   1HE   LYS  26          2HE       LYS  26  -0.644 -12.538   0.185
  184   2HE   LYS  26          1HE       LYS  26   0.329 -12.139   1.615
  185   1HZ   LYS  26          1HZ       LYS  26  -2.545 -11.689   1.798
  186   2HZ   LYS  26          2HZ       LYS  26  -1.456 -12.230   2.984
  187   3HZ   LYS  26          3HZ       LYS  26  -2.034 -13.306   1.804
  188    H    TYR  27           H        TYR  27   2.864  -5.375   1.721
  189    HA   TYR  27           HA       TYR  27   0.632  -3.565   2.550
  190   1HB   TYR  27          2HB       TYR  27   1.958  -2.744   4.395
  191   2HB   TYR  27          1HB       TYR  27   1.939  -4.501   4.509
  192    HD1  TYR  27           1HD      TYR  27   3.974  -1.552   3.602
  193    HD2  TYR  27           2HD      TYR  27   3.923  -5.820   4.083
  194    HE1  TYR  27           1HE      TYR  27   6.450  -1.594   3.481
  195    HE2  TYR  27           2HE      TYR  27   6.399  -5.863   3.962
  196    HH   TYR  27           HH       TYR  27   8.290  -2.899   3.938
  197    H    CYS  28           H        CYS  28   0.811  -1.519   1.618
  198    HA   CYS  28           HA       CYS  28   2.876  -1.160  -0.439
  199   1HB   CYS  28          2HB       CYS  28   0.399   0.290   0.481
  200   2HB   CYS  28          1HB       CYS  28   1.465   0.990  -0.738
  201    H    ALA  29           H        ALA  29   4.720  -0.051  -0.151
  202    HA   ALA  29           HA       ALA  29   4.830   2.228   1.756
  203   1HB   ALA  29          1HB       ALA  29   5.643   0.698   3.278
  204   2HB   ALA  29          2HB       ALA  29   7.145   0.967   2.394
  205   3HB   ALA  29          3HB       ALA  29   6.141  -0.434   2.021
  206    H    TRP  30           H        TRP  30   6.018   3.870   0.767
  207    HA   TRP  30           HA       TRP  30   7.248   3.350  -1.827
  208   1HB   TRP  30          2HB       TRP  30   7.707   5.816  -1.689
  209   2HB   TRP  30          1HB       TRP  30   6.019   5.404  -1.396
  210    HD1  TRP  30           HD       TRP  30   9.119   5.498   0.916
  211    HE1  TRP  30           1HE      TRP  30   8.500   6.808   3.028
  212    HE3  TRP  30           3HE      TRP  30   4.326   6.821  -0.239
  213    HZ2  TRP  30           2HZ      TRP  30   6.271   8.248   4.103
  214    HZ3  TRP  30           3HZ      TRP  30   2.978   8.163   1.346
  215    HH2  TRP  30           HH       TRP  30   3.944   8.880   3.513
  216    H    ASP  31           H        ASP  31   9.521   4.115  -2.275
  217    HA   ASP  31           HA       ASP  31  11.351   2.960  -0.270
  218   1HB   ASP  31          2HB       ASP  31  11.593   2.304  -2.575
  219   2HB   ASP  31          1HB       ASP  31  11.605   3.984  -3.111
  220    H    GLY  32           H        GLY  32  11.671   4.491   1.382
  221   1HA   GLY  32          2HA       GLY  32  13.365   6.762   0.765
  222   2HA   GLY  32          1HA       GLY  32  11.739   7.269   1.225
  223    H    THR  33           H        THR  33  12.184   8.120   3.258
  224    HA   THR  33           HA       THR  33  13.177   6.162   5.301
  225    HB   THR  33           HB       THR  33  13.889   8.766   6.111
  226    HG1  THR  33           1HG      THR  33  14.578   8.274   3.407
  227   1HG2  THR  33          1HG2      THR  33  16.138   7.536   4.927
  228   2HG2  THR  33          2HG2      THR  33  15.110   6.226   5.508
  229   3HG2  THR  33          3HG2      THR  33  15.657   7.480   6.623
  230    H    PHE  34           H        PHE  34  12.175   9.536   5.652
  231    HA   PHE  34           HA       PHE  34   9.975   8.628   7.465
  232   1HB   PHE  34          2HB       PHE  34  12.046  10.238   7.981
  233   2HB   PHE  34          1HB       PHE  34  10.961  11.447   7.294
  234    HD1  PHE  34           1HD      PHE  34   8.801  11.961   8.361
  235    HD2  PHE  34           2HD      PHE  34  11.536   9.128  10.079
  236    HE1  PHE  34           1HE      PHE  34   7.550  12.050  10.500
  237    HE2  PHE  34           2HE      PHE  34  10.284   9.216  12.218
  238    HZ   PHE  34           HZ       PHE  34   8.291  10.677  12.430
  Start of MODEL   10
    1   1H    THR   1          1HT       THR   1  -8.516   7.957  -4.342
    2   2H    THR   1          2HT       THR   1  -6.841   7.760  -4.556
    3   3H    THR   1          3HT       THR   1  -7.612   7.087  -3.200
    4    HA   THR   1           HA       THR   1  -8.941   5.664  -4.758
    5    HB   THR   1           HB       THR   1  -6.840   6.404  -6.772
    6    HG1  THR   1           1HG      THR   1  -8.801   7.841  -7.444
    7   1HG2  THR   1          1HG2      THR   1  -9.251   6.069  -8.043
    8   2HG2  THR   1          2HG2      THR   1  -9.417   4.986  -6.659
    9   3HG2  THR   1          3HG2      THR   1  -8.069   4.785  -7.779
   10    H    CYS   2           H        CYS   2  -5.926   6.275  -3.441
   11    HA   CYS   2           HA       CYS   2  -5.098   3.416  -3.824
   12   1HB   CYS   2          2HB       CYS   2  -2.743   4.367  -3.755
   13   2HB   CYS   2          1HB       CYS   2  -3.677   4.799  -5.186
   14    H    ARG   3           H        ARG   3  -3.183   3.074  -2.099
   15    HA   ARG   3           HA       ARG   3  -4.181   4.120   0.530
   16   1HB   ARG   3          2HB       ARG   3  -4.593   1.678  -0.113
   17   2HB   ARG   3          1HB       ARG   3  -2.843   1.460  -0.029
   18   1HG   ARG   3          2HG       ARG   3  -3.725   0.838   2.116
   19   2HG   ARG   3          1HG       ARG   3  -2.938   2.403   2.317
   20   1HD   ARG   3          2HD       ARG   3  -5.231   3.471   1.940
   21   2HD   ARG   3          1HD       ARG   3  -5.910   1.840   2.114
   22    HE   ARG   3           HE       ARG   3  -4.586   1.797   4.341
   23   1HH1  ARG   3          1HH2      ARG   3  -3.553   4.622   3.958
   24   2HH1  ARG   3          2HH2      ARG   3  -4.659   5.527   4.937
   25   1HH2  ARG   3          1HH1      ARG   3  -6.994   2.971   5.133
   26   2HH2  ARG   3          2HH1      ARG   3  -6.607   4.594   5.600
   27    H    TYR   4           H        TYR   4  -2.578   4.862   1.958
   28    HA   TYR   4           HA       TYR   4   0.039   5.464   0.796
   29   1HB   TYR   4          2HB       TYR   4  -1.163   5.900   3.546
   30   2HB   TYR   4          1HB       TYR   4   0.323   6.646   2.956
   31    HD1  TYR   4           1HD      TYR   4  -3.240   6.933   3.132
   32    HD2  TYR   4           2HD      TYR   4   0.169   7.992   0.744
   33    HE1  TYR   4           1HE      TYR   4  -4.563   8.723   2.038
   34    HE2  TYR   4           2HE      TYR   4  -1.153   9.783  -0.350
   35    HH   TYR   4           HH       TYR   4  -3.347  10.472  -0.731
   36    H    LEU   5           H        LEU   5   1.634   5.286   3.078
   37    HA   LEU   5           HA       LEU   5   2.963   2.893   2.901
   38   1HB   LEU   5          2HB       LEU   5   2.439   4.673   5.288
   39   2HB   LEU   5          1HB       LEU   5   3.663   3.407   5.284
   40    HG   LEU   5           HG       LEU   5   4.002   4.900   2.893
   41   1HD1  LEU   5          1HD1      LEU   5   4.645   7.040   4.481
   42   2HD1  LEU   5          2HD1      LEU   5   3.141   6.495   5.220
   43   3HD1  LEU   5          3HD1      LEU   5   3.177   6.929   3.511
   44   1HD2  LEU   5          1HD2      LEU   5   5.922   5.586   4.925
   45   2HD2  LEU   5          2HD2      LEU   5   6.121   4.497   3.553
   46   3HD2  LEU   5          3HD2      LEU   5   5.502   3.881   5.085
   47    H    PHE   6           H        PHE   6   3.075   1.005   4.230
   48    HA   PHE   6           HA       PHE   6   2.006  -0.973   4.974
   49   1HB   PHE   6          2HB       PHE   6   1.009   1.069   6.977
   50   2HB   PHE   6          1HB       PHE   6   1.407  -0.626   7.283
   51    HD1  PHE   6           1HD      PHE   6   3.831  -1.382   6.688
   52    HD2  PHE   6           2HD      PHE   6   2.673   2.718   7.252
   53    HE1  PHE   6           1HE      PHE   6   6.204  -0.760   7.043
   54    HE2  PHE   6           2HE      PHE   6   5.048   3.337   7.612
   55    HZ   PHE   6           HZ       PHE   6   6.813   1.596   7.498
   56    H    GLY   7           H        GLY   7   0.415   0.383   2.952
   57   1HA   GLY   7          2HA       GLY   7  -2.364   0.336   3.913
   58   2HA   GLY   7          1HA       GLY   7  -1.846   0.620   2.250
   59    H    GLY   8           H        GLY   8  -3.418  -1.582   4.171
   60   1HA   GLY   8          2HA       GLY   8  -2.517  -4.131   3.548
   61   2HA   GLY   8          1HA       GLY   8  -4.233  -3.732   3.627
   62    H    CYS   9           H        CYS   9  -1.531  -4.286   1.499
   63    HA   CYS   9           HA       CYS   9  -3.355  -4.018  -0.869
   64   1HB   CYS   9          2HB       CYS   9  -1.349  -3.312  -2.047
   65   2HB   CYS   9          1HB       CYS   9  -1.560  -2.348  -0.582
   66    H    LYS  10           H        LYS  10  -2.977  -5.465  -2.594
   67    HA   LYS  10           HA       LYS  10  -1.625  -8.032  -1.831
   68   1HB   LYS  10          2HB       LYS  10  -3.903  -7.584  -3.788
   69   2HB   LYS  10          1HB       LYS  10  -3.357  -9.122  -3.122
   70   1HG   LYS  10          2HG       LYS  10  -3.932  -8.132  -0.816
   71   2HG   LYS  10          1HG       LYS  10  -4.808  -6.885  -1.705
   72   1HD   LYS  10          2HD       LYS  10  -5.662  -9.220  -2.922
   73   2HD   LYS  10          1HD       LYS  10  -5.534  -9.684  -1.225
   74   1HE   LYS  10          2HE       LYS  10  -6.791  -7.040  -1.697
   75   2HE   LYS  10          1HE       LYS  10  -7.727  -8.440  -2.258
   76   1HZ   LYS  10          1HZ       LYS  10  -7.879  -7.731   0.219
   77   2HZ   LYS  10          2HZ       LYS  10  -6.386  -8.533   0.360
   78   3HZ   LYS  10          3HZ       LYS  10  -7.761  -9.378  -0.172
   79    H    THR  11           H        THR  11  -1.570  -5.301  -3.820
   80    HA   THR  11           HA       THR  11   0.416  -6.584  -5.637
   81    HB   THR  11           HB       THR  11  -0.778  -5.699  -7.600
   82    HG1  THR  11           1HG      THR  11  -2.893  -5.021  -5.866
   83   1HG2  THR  11          1HG2      THR  11  -1.349  -7.963  -6.708
   84   2HG2  THR  11          2HG2      THR  11  -2.688  -7.198  -7.563
   85   3HG2  THR  11          3HG2      THR  11  -2.672  -7.231  -5.799
   86    H    THR  12           H        THR  12   1.670  -4.885  -6.835
   87    HA   THR  12           HA       THR  12   2.377  -2.669  -5.124
   88    HB   THR  12           HB       THR  12   3.090  -2.754  -8.026
   89    HG1  THR  12           1HG      THR  12   4.638  -4.459  -7.292
   90   1HG2  THR  12          1HG2      THR  12   4.638  -2.435  -5.441
   91   2HG2  THR  12          2HG2      THR  12   4.174  -1.143  -6.549
   92   3HG2  THR  12          3HG2      THR  12   5.349  -2.359  -7.053
   93    H    ALA  13           H        ALA  13   0.390  -2.962  -8.058
   94    HA   ALA  13           HA       ALA  13   0.067  -0.114  -8.475
   95   1HB   ALA  13          1HB       ALA  13  -0.318  -1.520 -10.326
   96   2HB   ALA  13          2HB       ALA  13  -1.952  -1.086  -9.824
   97   3HB   ALA  13          3HB       ALA  13  -1.280  -2.654  -9.378
   98    H    ASP  14           H        ASP  14  -1.017  -2.069  -5.987
   99    HA   ASP  14           HA       ASP  14  -3.707  -0.937  -5.679
  100   1HB   ASP  14          2HB       ASP  14  -2.514  -3.236  -4.940
  101   2HB   ASP  14          1HB       ASP  14  -2.250  -2.305  -3.465
  102    H    CYS  15           H        CYS  15  -0.582   0.216  -5.054
  103    HA   CYS  15           HA       CYS  15  -1.437   1.788  -2.661
  104   1HB   CYS  15          2HB       CYS  15   1.294   1.991  -3.860
  105   2HB   CYS  15          1HB       CYS  15   0.821   1.959  -2.167
  106    H    CYS  16           H        CYS  16  -0.196   4.079  -2.809
  107    HA   CYS  16           HA       CYS  16  -1.512   5.583  -4.919
  108   1HB   CYS  16          2HB       CYS  16   0.436   6.177  -2.681
  109   2HB   CYS  16          1HB       CYS  16  -0.103   7.437  -3.790
  110    H    LYS  17           H        LYS  17   0.374   7.453  -5.688
  111    HA   LYS  17           HA       LYS  17   1.963   5.884  -7.611
  112   1HB   LYS  17          2HB       LYS  17   0.514   8.146  -7.778
  113   2HB   LYS  17          1HB       LYS  17   2.091   8.855  -7.435
  114   1HG   LYS  17          2HG       LYS  17   2.722   6.964  -9.329
  115   2HG   LYS  17          1HG       LYS  17   1.134   7.510  -9.869
  116   1HD   LYS  17          2HD       LYS  17   2.033   9.901  -9.515
  117   2HD   LYS  17          1HD       LYS  17   3.630   9.154  -9.449
  118   1HE   LYS  17          2HE       LYS  17   1.703   8.678 -11.742
  119   2HE   LYS  17          1HE       LYS  17   2.936   9.953 -11.764
  120   1HZ   LYS  17          1HZ       LYS  17   4.537   8.137 -11.063
  121   2HZ   LYS  17          2HZ       LYS  17   3.993   8.084 -12.672
  122   3HZ   LYS  17          3HZ       LYS  17   3.334   7.030 -11.513
  123    H    HIS  18           H        HIS  18   2.925   5.562  -4.978
  124    HA   HIS  18           HA       HIS  18   5.697   6.501  -5.316
  125   1HB   HIS  18          2HB       HIS  18   3.948   7.391  -2.998
  126   2HB   HIS  18          1HB       HIS  18   5.689   7.655  -3.099
  127    HD1  HIS  18           1HD      HIS  18   2.500   9.142  -4.049
  128    HD2  HIS  18           2HD      HIS  18   6.410   9.306  -5.484
  129    HE1  HIS  18           1HE      HIS  18   2.626  11.176  -5.551
  130    H    LEU  19           H        LEU  19   3.282   4.869  -3.288
  131    HA   LEU  19           HA       LEU  19   5.291   3.399  -1.753
  132   1HB   LEU  19          2HB       LEU  19   2.283   3.149  -2.006
  133   2HB   LEU  19          1HB       LEU  19   3.269   2.396  -0.749
  134    HG   LEU  19           HG       LEU  19   4.042   5.088  -0.770
  135   1HD1  LEU  19          1HD1      LEU  19   2.112   5.760  -2.026
  136   2HD1  LEU  19          2HD1      LEU  19   1.789   6.181  -0.344
  137   3HD1  LEU  19          3HD1      LEU  19   1.049   4.746  -1.052
  138   1HD2  LEU  19          1HD2      LEU  19   3.953   3.803   1.243
  139   2HD2  LEU  19          2HD2      LEU  19   2.240   3.448   1.022
  140   3HD2  LEU  19          3HD2      LEU  19   2.756   5.084   1.435
  141    H    ALA  20           H        ALA  20   5.554   1.112  -1.792
  142    HA   ALA  20           HA       ALA  20   4.707  -0.232  -4.337
  143   1HB   ALA  20          1HB       ALA  20   7.154  -1.240  -3.119
  144   2HB   ALA  20          2HB       ALA  20   7.269   0.494  -3.424
  145   3HB   ALA  20          3HB       ALA  20   6.906  -0.613  -4.749
  146    H    CYS  21           H        CYS  21   3.226  -1.779  -3.721
  147    HA   CYS  21           HA       CYS  21   2.806  -2.784  -1.131
  148   1HB   CYS  21          2HB       CYS  21   1.300  -2.888  -3.136
  149   2HB   CYS  21          1HB       CYS  21   2.327  -4.164  -3.789
  150    H    ARG  22           H        ARG  22   4.670  -3.567  -0.069
  151    HA   ARG  22           HA       ARG  22   6.569  -5.363  -1.352
  152   1HB   ARG  22          2HB       ARG  22   6.518  -3.699   0.831
  153   2HB   ARG  22          1HB       ARG  22   6.387  -5.283   1.596
  154   1HG   ARG  22          2HG       ARG  22   8.667  -5.243   1.422
  155   2HG   ARG  22          1HG       ARG  22   8.332  -5.805  -0.216
  156   1HD   ARG  22          2HD       ARG  22   8.117  -2.913  -0.091
  157   2HD   ARG  22          1HD       ARG  22   9.709  -3.453   0.483
  158    HE   ARG  22           HE       ARG  22   8.866  -4.893  -1.895
  159   1HH1  ARG  22          1HH1      ARG  22   9.498  -1.644  -1.181
  160   2HH1  ARG  22          2HH1      ARG  22  10.712  -1.444  -2.399
  161   1HH2  ARG  22          1HH2      ARG  22  10.775  -4.802  -3.262
  162   2HH2  ARG  22          2HH2      ARG  22  11.434  -3.232  -3.579
  163    H    SER  23           H        SER  23   6.402  -7.563  -1.498
  164    HA   SER  23           HA       SER  23   4.049  -8.981  -0.761
  165   1HB   SER  23          2HB       SER  23   6.678  -9.459  -1.978
  166   2HB   SER  23          1HB       SER  23   6.025 -10.865  -1.142
  167    HG   SER  23           HG       SER  23   4.619 -11.062  -2.683
  168    H    ASP  24           H        ASP  24   6.886  -8.166   1.042
  169    HA   ASP  24           HA       ASP  24   6.720 -10.389   2.938
  170   1HB   ASP  24          2HB       ASP  24   8.735  -8.929   2.214
  171   2HB   ASP  24          1HB       ASP  24   8.091  -7.725   3.329
  172    H    GLY  25           H        GLY  25   4.226  -9.735   3.095
  173   1HA   GLY  25          2HA       GLY  25   3.000  -9.327   5.246
  174   2HA   GLY  25          1HA       GLY  25   3.959  -7.854   5.408
  175    H    LYS  26           H        LYS  26   2.826  -8.791   2.270
  176    HA   LYS  26           HA       LYS  26   1.637  -7.347   0.754
  177   1HB   LYS  26          2HB       LYS  26  -0.821  -7.674   1.428
  178   2HB   LYS  26          1HB       LYS  26   0.152  -9.133   1.263
  179   1HG   LYS  26          2HG       LYS  26   0.008  -7.801   3.942
  180   2HG   LYS  26          1HG       LYS  26  -1.364  -8.764   3.400
  181   1HD   LYS  26          2HD       LYS  26   1.259 -10.041   2.967
  182   2HD   LYS  26          1HD       LYS  26   0.836  -9.797   4.663
  183   1HE   LYS  26          2HE       LYS  26  -0.341 -11.746   4.422
  184   2HE   LYS  26          1HE       LYS  26  -1.542 -10.729   3.604
  185   1HZ   LYS  26          1HZ       LYS  26   0.286 -12.639   2.480
  186   2HZ   LYS  26          2HZ       LYS  26   0.366 -11.128   1.706
  187   3HZ   LYS  26          3HZ       LYS  26  -1.112 -11.959   1.805
  188    H    TYR  27           H        TYR  27   2.860  -5.374   1.876
  189    HA   TYR  27           HA       TYR  27   0.718  -3.495   2.810
  190   1HB   TYR  27          2HB       TYR  27   2.168  -2.753   4.584
  191   2HB   TYR  27          1HB       TYR  27   2.151  -4.513   4.651
  192    HD1  TYR  27           1HD      TYR  27   4.095  -1.583   3.418
  193    HD2  TYR  27           2HD      TYR  27   4.131  -5.783   4.320
  194    HE1  TYR  27           1HE      TYR  27   6.558  -1.626   3.127
  195    HE2  TYR  27           2HE      TYR  27   6.593  -5.825   4.029
  196    HH   TYR  27           HH       TYR  27   8.427  -2.851   3.470
  197    H    CYS  28           H        CYS  28   0.851  -1.476   1.828
  198    HA   CYS  28           HA       CYS  28   2.829  -1.114  -0.311
  199   1HB   CYS  28          2HB       CYS  28   0.432   0.378   0.750
  200   2HB   CYS  28          1HB       CYS  28   1.455   1.071  -0.507
  201    H    ALA  29           H        ALA  29   4.663   0.074  -0.162
  202    HA   ALA  29           HA       ALA  29   4.897   2.296   1.777
  203   1HB   ALA  29          1HB       ALA  29   7.028   0.186   1.871
  204   2HB   ALA  29          2HB       ALA  29   5.520  -0.116   2.733
  205   3HB   ALA  29          3HB       ALA  29   6.500   1.292   3.139
  206    H    TRP  30           H        TRP  30   6.036   3.906   0.708
  207    HA   TRP  30           HA       TRP  30   7.275   3.297  -1.865
  208   1HB   TRP  30          2HB       TRP  30   7.662   5.767  -1.863
  209   2HB   TRP  30          1HB       TRP  30   5.988   5.336  -1.522
  210    HD1  TRP  30           HD       TRP  30   9.093   5.588   0.775
  211    HE1  TRP  30           1HE      TRP  30   8.479   7.037   2.791
  212    HE3  TRP  30           3HE      TRP  30   4.298   6.862  -0.465
  213    HZ2  TRP  30           2HZ      TRP  30   6.268   8.563   3.765
  214    HZ3  TRP  30           3HZ      TRP  30   2.970   8.320   1.027
  215    HH2  TRP  30           HH       TRP  30   3.946   9.173   3.139
  216    H    ASP  31           H        ASP  31   9.539   4.069  -2.345
  217    HA   ASP  31           HA       ASP  31  11.368   3.047  -0.263
  218   1HB   ASP  31          2HB       ASP  31  11.407   2.396  -2.695
  219   2HB   ASP  31          1HB       ASP  31  11.902   4.045  -3.075
  220    H    GLY  32           H        GLY  32  11.326   4.831   1.264
  221   1HA   GLY  32          2HA       GLY  32  11.851   6.992   2.064
  222   2HA   GLY  32          1HA       GLY  32  13.348   6.692   1.181
  223    H    THR  33           H        THR  33  13.689   7.750  -0.776
  224    HA   THR  33           HA       THR  33  11.503   9.229  -2.083
  225    HB   THR  33           HB       THR  33  13.844  10.629  -0.756
  226    HG1  THR  33           1HG      THR  33  11.817  11.553   0.335
  227   1HG2  THR  33          1HG2      THR  33  11.481  11.618  -2.364
  228   2HG2  THR  33          2HG2      THR  33  13.194  11.834  -2.726
  229   3HG2  THR  33          3HG2      THR  33  12.470  12.673  -1.355
  230    H    PHE  34           H        PHE  34  15.054   9.539  -1.877
  231    HA   PHE  34           HA       PHE  34  15.263   8.633  -4.714
  232   1HB   PHE  34          2HB       PHE  34  15.043  11.192  -4.346
  233   2HB   PHE  34          1HB       PHE  34  16.674  11.096  -3.681
  234    HD1  PHE  34           1HD      PHE  34  18.312  11.720  -5.211
  235    HD2  PHE  34           2HD      PHE  34  14.884   9.529  -6.590
  236    HE1  PHE  34           1HE      PHE  34  19.247  11.703  -7.510
  237    HE2  PHE  34           2HE      PHE  34  15.817   9.513  -8.887
  238    HZ   PHE  34           HZ       PHE  34  17.999  10.599  -9.347
  Start of MODEL   11
    1   1H    THR   1          1HT       THR   1  -6.021   6.931  -7.028
    2   2H    THR   1          2HT       THR   1  -7.058   8.158  -6.480
    3   3H    THR   1          3HT       THR   1  -7.627   6.989  -7.571
    4    HA   THR   1           HA       THR   1  -7.648   6.905  -4.752
    5    HB   THR   1           HB       THR   1  -9.399   6.277  -6.431
    6    HG1  THR   1           1HG      THR   1  -9.530   5.429  -4.348
    7   1HG2  THR   1          1HG2      THR   1  -7.848   5.182  -8.034
    8   2HG2  THR   1          2HG2      THR   1  -9.204   4.139  -7.605
    9   3HG2  THR   1          3HG2      THR   1  -7.618   3.865  -6.883
   10    H    CYS   2           H        CYS   2  -6.346   5.782  -3.346
   11    HA   CYS   2           HA       CYS   2  -5.053   3.280  -4.019
   12   1HB   CYS   2          2HB       CYS   2  -2.723   4.295  -3.895
   13   2HB   CYS   2          1HB       CYS   2  -3.636   4.677  -5.351
   14    H    ARG   3           H        ARG   3  -3.145   2.984  -2.264
   15    HA   ARG   3           HA       ARG   3  -4.240   3.962   0.355
   16   1HB   ARG   3          2HB       ARG   3  -4.054   1.389  -0.640
   17   2HB   ARG   3          1HB       ARG   3  -2.586   1.525   0.331
   18   1HG   ARG   3          2HG       ARG   3  -3.845   2.144   2.289
   19   2HG   ARG   3          1HG       ARG   3  -5.329   2.300   1.351
   20   1HD   ARG   3          2HD       ARG   3  -4.633  -0.273   0.748
   21   2HD   ARG   3          1HD       ARG   3  -4.034  -0.138   2.415
   22    HE   ARG   3           HE       ARG   3  -6.372   0.849   2.918
   23   1HH1  ARG   3          1HH1      ARG   3  -6.579  -0.054  -0.216
   24   2HH1  ARG   3          2HH1      ARG   3  -7.795  -1.271  -0.014
   25   1HH2  ARG   3          1HH2      ARG   3  -7.574  -1.294   3.447
   26   2HH2  ARG   3          2HH2      ARG   3  -8.357  -1.974   2.060
   27    H    TYR   4           H        TYR   4  -2.607   4.428   2.001
   28    HA   TYR   4           HA       TYR   4  -0.053   5.366   0.803
   29   1HB   TYR   4          2HB       TYR   4  -1.081   5.758   3.622
   30   2HB   TYR   4          1HB       TYR   4   0.038   6.780   2.720
   31    HD1  TYR   4           1HD      TYR   4  -1.418   6.764   0.061
   32    HD2  TYR   4           2HD      TYR   4  -2.824   7.335   4.079
   33    HE1  TYR   4           1HE      TYR   4  -3.324   8.099  -0.796
   34    HE2  TYR   4           2HE      TYR   4  -4.731   8.669   3.222
   35    HH   TYR   4           HH       TYR   4  -5.352   9.947   1.283
   36    H    LEU   5           H        LEU   5   1.511   5.346   3.093
   37    HA   LEU   5           HA       LEU   5   2.998   3.053   3.048
   38   1HB   LEU   5          2HB       LEU   5   2.312   5.069   5.144
   39   2HB   LEU   5          1HB       LEU   5   3.279   3.676   5.628
   40    HG   LEU   5           HG       LEU   5   4.564   4.351   3.343
   41   1HD1  LEU   5          1HD1      LEU   5   4.462   7.074   4.270
   42   2HD1  LEU   5          2HD1      LEU   5   2.833   6.542   3.853
   43   3HD1  LEU   5          3HD1      LEU   5   4.124   6.447   2.657
   44   1HD2  LEU   5          1HD2      LEU   5   4.897   5.155   6.212
   45   2HD2  LEU   5          2HD2      LEU   5   5.989   5.849   5.013
   46   3HD2  LEU   5          3HD2      LEU   5   5.907   4.100   5.223
   47    H    PHE   6           H        PHE   6   3.116   1.119   4.230
   48    HA   PHE   6           HA       PHE   6   2.096  -0.911   4.900
   49   1HB   PHE   6          2HB       PHE   6   1.357   1.148   6.995
   50   2HB   PHE   6          1HB       PHE   6   1.344  -0.599   7.261
   51    HD1  PHE   6           1HD      PHE   6   3.508  -1.904   6.790
   52    HD2  PHE   6           2HD      PHE   6   3.369   2.369   7.192
   53    HE1  PHE   6           1HE      PHE   6   5.955  -1.863   7.184
   54    HE2  PHE   6           2HE      PHE   6   5.818   2.411   7.588
   55    HZ   PHE   6           HZ       PHE   6   7.110   0.294   7.578
   56    H    GLY   7           H        GLY   7   0.379   0.620   3.052
   57   1HA   GLY   7          2HA       GLY   7  -2.342   0.465   4.118
   58   2HA   GLY   7          1HA       GLY   7  -1.906   0.795   2.439
   59    H    GLY   8           H        GLY   8  -3.495  -1.409   4.258
   60   1HA   GLY   8          2HA       GLY   8  -2.616  -3.968   3.684
   61   2HA   GLY   8          1HA       GLY   8  -4.327  -3.537   3.649
   62    H    CYS   9           H        CYS   9  -1.577  -4.341   1.731
   63    HA   CYS   9           HA       CYS   9  -3.221  -4.012  -0.756
   64   1HB   CYS   9          2HB       CYS   9  -1.274  -3.152  -1.815
   65   2HB   CYS   9          1HB       CYS   9  -1.428  -2.321  -0.265
   66    H    LYS  10           H        LYS  10  -2.704  -5.439  -2.446
   67    HA   LYS  10           HA       LYS  10  -1.250  -7.934  -1.640
   68   1HB   LYS  10          2HB       LYS  10  -3.732  -7.589  -3.361
   69   2HB   LYS  10          1HB       LYS  10  -2.978  -9.128  -2.938
   70   1HG   LYS  10          2HG       LYS  10  -4.171  -9.180  -1.032
   71   2HG   LYS  10          1HG       LYS  10  -3.396  -7.682  -0.517
   72   1HD   LYS  10          2HD       LYS  10  -5.116  -6.519  -2.087
   73   2HD   LYS  10          1HD       LYS  10  -5.999  -8.042  -1.988
   74   1HE   LYS  10          2HE       LYS  10  -5.144  -7.261   0.660
   75   2HE   LYS  10          1HE       LYS  10  -6.051  -5.937  -0.099
   76   1HZ   LYS  10          1HZ       LYS  10  -7.623  -7.430   0.863
   77   2HZ   LYS  10          2HZ       LYS  10  -6.886  -8.777   0.139
   78   3HZ   LYS  10          3HZ       LYS  10  -7.698  -7.634  -0.819
   79    H    THR  11           H        THR  11  -1.347  -5.267  -3.667
   80    HA   THR  11           HA       THR  11   0.518  -6.564  -5.594
   81    HB   THR  11           HB       THR  11  -0.975  -5.168  -7.332
   82    HG1  THR  11           1HG      THR  11  -3.214  -5.879  -6.416
   83   1HG2  THR  11          1HG2      THR  11  -1.164  -7.268  -8.104
   84   2HG2  THR  11          2HG2      THR  11  -2.442  -7.574  -6.927
   85   3HG2  THR  11          3HG2      THR  11  -0.759  -7.903  -6.509
   86    H    THR  12           H        THR  12   1.711  -4.914  -6.865
   87    HA   THR  12           HA       THR  12   2.550  -2.660  -5.279
   88    HB   THR  12           HB       THR  12   2.959  -3.570  -8.135
   89    HG1  THR  12           1HG      THR  12   4.012  -4.795  -6.628
   90   1HG2  THR  12          1HG2      THR  12   3.986  -1.110  -6.728
   91   2HG2  THR  12          2HG2      THR  12   3.267  -1.236  -8.333
   92   3HG2  THR  12          3HG2      THR  12   4.892  -1.859  -8.043
   93    H    ALA  13           H        ALA  13   0.427  -2.944  -8.135
   94    HA   ALA  13           HA       ALA  13   0.039  -0.097  -8.471
   95   1HB   ALA  13          1HB       ALA  13  -1.717  -0.848 -10.008
   96   2HB   ALA  13          2HB       ALA  13  -1.686  -2.457  -9.287
   97   3HB   ALA  13          3HB       ALA  13  -0.294  -1.872 -10.196
   98    H    ASP  14           H        ASP  14  -0.939  -2.110  -5.979
   99    HA   ASP  14           HA       ASP  14  -3.644  -1.067  -5.585
  100   1HB   ASP  14          2HB       ASP  14  -2.422  -3.313  -4.861
  101   2HB   ASP  14          1HB       ASP  14  -1.989  -2.358  -3.442
  102    H    CYS  15           H        CYS  15  -0.501   0.147  -4.978
  103    HA   CYS  15           HA       CYS  15  -1.423   1.796  -2.667
  104   1HB   CYS  15          2HB       CYS  15   1.331   1.978  -3.812
  105   2HB   CYS  15          1HB       CYS  15   0.819   2.021  -2.132
  106    H    CYS  16           H        CYS  16  -0.212   4.078  -2.836
  107    HA   CYS  16           HA       CYS  16  -1.484   5.521  -5.015
  108   1HB   CYS  16          2HB       CYS  16   0.360   6.177  -2.702
  109   2HB   CYS  16          1HB       CYS  16  -0.146   7.417  -3.854
  110    H    LYS  17           H        LYS  17   0.313   7.380  -5.888
  111    HA   LYS  17           HA       LYS  17   2.014   5.788  -7.666
  112   1HB   LYS  17          2HB       LYS  17   0.898   8.490  -7.458
  113   2HB   LYS  17          1HB       LYS  17   2.538   8.476  -8.105
  114   1HG   LYS  17          2HG       LYS  17   1.890   7.496 -10.045
  115   2HG   LYS  17          1HG       LYS  17   0.812   6.371  -9.218
  116   1HD   LYS  17          2HD       LYS  17  -0.557   7.827 -10.576
  117   2HD   LYS  17          1HD       LYS  17  -0.800   8.283  -8.890
  118   1HE   LYS  17          2HE       LYS  17   0.521  10.237  -9.102
  119   2HE   LYS  17          1HE       LYS  17   1.287   9.658 -10.595
  120   1HZ   LYS  17          1HZ       LYS  17  -0.861   9.718 -11.691
  121   2HZ   LYS  17          2HZ       LYS  17  -0.482  11.254 -11.073
  122   3HZ   LYS  17          3HZ       LYS  17  -1.606  10.265 -10.269
  123    H    HIS  18           H        HIS  18   2.894   5.524  -5.001
  124    HA   HIS  18           HA       HIS  18   5.676   6.415  -5.289
  125   1HB   HIS  18          2HB       HIS  18   3.790   7.538  -3.204
  126   2HB   HIS  18          1HB       HIS  18   5.541   7.572  -2.997
  127    HD1  HIS  18           1HD      HIS  18   6.717   8.477  -5.485
  128    HD2  HIS  18           2HD      HIS  18   2.987   9.927  -4.317
  129    HE1  HIS  18           1HE      HIS  18   6.366  10.649  -6.741
  130    H    LEU  19           H        LEU  19   3.179   4.930  -3.256
  131    HA   LEU  19           HA       LEU  19   5.107   3.464  -1.620
  132   1HB   LEU  19          2HB       LEU  19   2.101   3.363  -1.978
  133   2HB   LEU  19          1HB       LEU  19   2.977   2.470  -0.733
  134    HG   LEU  19           HG       LEU  19   3.879   5.182  -0.700
  135   1HD1  LEU  19          1HD1      LEU  19   1.562   6.080   0.107
  136   2HD1  LEU  19          2HD1      LEU  19   0.903   4.778  -0.883
  137   3HD1  LEU  19          3HD1      LEU  19   1.898   6.031  -1.624
  138   1HD2  LEU  19          1HD2      LEU  19   2.866   5.044   1.622
  139   2HD2  LEU  19          2HD2      LEU  19   4.000   3.751   1.230
  140   3HD2  LEU  19          3HD2      LEU  19   2.264   3.446   1.183
  141    H    ALA  20           H        ALA  20   5.673   1.309  -1.824
  142    HA   ALA  20           HA       ALA  20   4.739  -0.100  -4.298
  143   1HB   ALA  20          1HB       ALA  20   7.344   0.282  -2.893
  144   2HB   ALA  20          2HB       ALA  20   7.008   0.188  -4.622
  145   3HB   ALA  20          3HB       ALA  20   7.080  -1.286  -3.657
  146    H    CYS  21           H        CYS  21   3.233  -1.609  -3.657
  147    HA   CYS  21           HA       CYS  21   2.860  -2.677  -1.088
  148   1HB   CYS  21          2HB       CYS  21   1.295  -2.722  -3.031
  149   2HB   CYS  21          1HB       CYS  21   2.307  -3.957  -3.779
  150    H    ARG  22           H        ARG  22   4.471  -3.738   0.028
  151    HA   ARG  22           HA       ARG  22   6.433  -5.435  -1.358
  152   1HB   ARG  22          2HB       ARG  22   5.867  -4.574   1.483
  153   2HB   ARG  22          1HB       ARG  22   7.126  -5.754   1.114
  154   1HG   ARG  22          2HG       ARG  22   7.294  -3.452  -0.654
  155   2HG   ARG  22          1HG       ARG  22   7.383  -2.964   1.039
  156   1HD   ARG  22          2HD       ARG  22   9.580  -3.560   0.925
  157   2HD   ARG  22          1HD       ARG  22   9.002  -5.238   0.927
  158    HE   ARG  22           HE       ARG  22   8.824  -4.956  -1.621
  159   1HH1  ARG  22          1HH1      ARG  22   9.755  -2.029  -1.384
  160   2HH1  ARG  22          2HH1      ARG  22  11.403  -2.179  -1.898
  161   1HH2  ARG  22          1HH2      ARG  22  11.479  -5.628  -1.544
  162   2HH2  ARG  22          2HH2      ARG  22  12.378  -4.216  -1.988
  163    H    SER  23           H        SER  23   6.138  -7.604  -1.671
  164    HA   SER  23           HA       SER  23   3.763  -8.985  -0.961
  165   1HB   SER  23          2HB       SER  23   5.102  -9.625  -2.854
  166   2HB   SER  23          1HB       SER  23   6.526  -9.848  -1.840
  167    HG   SER  23           HG       SER  23   5.804 -11.747  -1.259
  168    H    ASP  24           H        ASP  24   6.786  -8.526   0.748
  169    HA   ASP  24           HA       ASP  24   6.393 -10.752   2.608
  170   1HB   ASP  24          2HB       ASP  24   8.582  -9.691   1.865
  171   2HB   ASP  24          1HB       ASP  24   8.154  -8.296   2.856
  172    H    GLY  25           H        GLY  25   4.057  -9.883   2.986
  173   1HA   GLY  25          2HA       GLY  25   3.135  -9.300   5.290
  174   2HA   GLY  25          1HA       GLY  25   4.094  -7.823   5.154
  175    H    LYS  26           H        LYS  26   3.102  -8.449   2.089
  176    HA   LYS  26           HA       LYS  26   1.560  -7.283   0.718
  177   1HB   LYS  26          2HB       LYS  26   0.066  -8.579   2.987
  178   2HB   LYS  26          1HB       LYS  26  -0.820  -7.649   1.777
  179   1HG   LYS  26          2HG       LYS  26  -0.687  -9.355   0.320
  180   2HG   LYS  26          1HG       LYS  26   1.073  -9.357   0.447
  181   1HD   LYS  26          2HD       LYS  26   0.219 -11.541   1.120
  182   2HD   LYS  26          1HD       LYS  26   0.881 -10.715   2.532
  183   1HE   LYS  26          2HE       LYS  26  -1.157 -11.352   3.432
  184   2HE   LYS  26          1HE       LYS  26  -1.679  -9.836   2.670
  185   1HZ   LYS  26          1HZ       LYS  26  -2.958 -11.939   2.056
  186   2HZ   LYS  26          2HZ       LYS  26  -1.582 -12.377   1.159
  187   3HZ   LYS  26          3HZ       LYS  26  -2.429 -10.954   0.781
  188    H    TYR  27           H        TYR  27   2.863  -5.301   1.827
  189    HA   TYR  27           HA       TYR  27   0.736  -3.450   2.827
  190   1HB   TYR  27          2HB       TYR  27   2.186  -2.725   4.619
  191   2HB   TYR  27          1HB       TYR  27   2.108  -4.483   4.680
  192    HD1  TYR  27           1HD      TYR  27   4.005  -5.863   3.942
  193    HD2  TYR  27           2HD      TYR  27   4.220  -1.573   3.948
  194    HE1  TYR  27           1HE      TYR  27   6.471  -5.986   3.718
  195    HE2  TYR  27           2HE      TYR  27   6.686  -1.697   3.722
  196    HH   TYR  27           HH       TYR  27   8.340  -4.813   3.315
  197    H    CYS  28           H        CYS  28   0.874  -1.421   1.908
  198    HA   CYS  28           HA       CYS  28   2.813  -1.007  -0.250
  199   1HB   CYS  28          2HB       CYS  28   0.446   0.460   0.904
  200   2HB   CYS  28          1HB       CYS  28   1.433   1.178  -0.369
  201    H    ALA  29           H        ALA  29   4.711   0.038  -0.030
  202    HA   ALA  29           HA       ALA  29   4.987   2.260   1.926
  203   1HB   ALA  29          1HB       ALA  29   6.749   1.223   3.105
  204   2HB   ALA  29          2HB       ALA  29   7.073   0.082   1.800
  205   3HB   ALA  29          3HB       ALA  29   5.651  -0.126   2.821
  206    H    TRP  30           H        TRP  30   5.972   3.924   0.756
  207    HA   TRP  30           HA       TRP  30   7.115   3.329  -1.859
  208   1HB   TRP  30          2HB       TRP  30   7.429   5.808  -1.914
  209   2HB   TRP  30          1HB       TRP  30   5.789   5.332  -1.488
  210    HD1  TRP  30           HD       TRP  30   8.931   5.629   0.752
  211    HE1  TRP  30           1HE      TRP  30   8.361   7.163   2.720
  212    HE3  TRP  30           3HE      TRP  30   4.175   6.987  -0.529
  213    HZ2  TRP  30           2HZ      TRP  30   6.190   8.779   3.643
  214    HZ3  TRP  30           3HZ      TRP  30   2.886   8.533   0.912
  215    HH2  TRP  30           HH       TRP  30   3.886   9.431   2.994
  216    H    ASP  31           H        ASP  31   9.307   4.265  -2.457
  217    HA   ASP  31           HA       ASP  31  11.275   3.481  -0.352
  218   1HB   ASP  31          2HB       ASP  31  11.038   3.330  -3.315
  219   2HB   ASP  31          1HB       ASP  31  12.662   3.581  -2.674
  220    H    GLY  32           H        GLY  32   9.895   6.246  -1.515
  221   1HA   GLY  32          2HA       GLY  32  10.532   8.502  -1.467
  222   2HA   GLY  32          1HA       GLY  32  11.829   8.002  -0.380
  223    H    THR  33           H        THR  33  13.406   9.343  -1.373
  224    HA   THR  33           HA       THR  33  13.921   9.138  -4.258
  225    HB   THR  33           HB       THR  33  15.816  10.685  -3.565
  226    HG1  THR  33           1HG      THR  33  15.831  11.334  -1.429
  227   1HG2  THR  33          1HG2      THR  33  14.114  12.063  -4.152
  228   2HG2  THR  33          2HG2      THR  33  13.910  12.296  -2.415
  229   3HG2  THR  33          3HG2      THR  33  12.921  11.111  -3.269
  230    H    PHE  34           H        PHE  34  16.611   9.157  -2.029
  231    HA   PHE  34           HA       PHE  34  18.504   7.736  -1.955
  232   1HB   PHE  34          2HB       PHE  34  16.703   6.629  -0.591
  233   2HB   PHE  34          1HB       PHE  34  16.265   5.687  -2.016
  234    HD1  PHE  34           1HD      PHE  34  16.879   3.486  -1.371
  235    HD2  PHE  34           2HD      PHE  34  19.685   6.709  -0.942
  236    HE1  PHE  34           1HE      PHE  34  18.673   1.855  -0.847
  237    HE2  PHE  34           2HE      PHE  34  21.479   5.079  -0.422
  238    HZ   PHE  34           HZ       PHE  34  20.973   2.652  -0.373
  Start of MODEL   12
    1   1H    THR   1          1HT       THR   1  -8.005   8.581  -2.584
    2   2H    THR   1          2HT       THR   1  -6.672   8.071  -3.508
    3   3H    THR   1          3HT       THR   1  -6.692   7.816  -1.828
    4    HA   THR   1           HA       THR   1  -8.730   6.381  -2.194
    5    HB   THR   1           HB       THR   1  -7.671   6.736  -5.018
    6    HG1  THR   1           1HG      THR   1  -9.785   7.619  -5.315
    7   1HG2  THR   1          1HG2      THR   1  -8.609   4.734  -5.423
    8   2HG2  THR   1          2HG2      THR   1 -10.171   5.435  -4.998
    9   3HG2  THR   1          3HG2      THR   1  -9.199   4.628  -3.765
   10    H    CYS   2           H        CYS   2  -5.654   6.292  -4.033
   11    HA   CYS   2           HA       CYS   2  -5.073   3.566  -3.894
   12   1HB   CYS   2          2HB       CYS   2  -2.657   4.437  -3.809
   13   2HB   CYS   2          1HB       CYS   2  -3.662   5.020  -5.129
   14    H    ARG   3           H        ARG   3  -3.068   2.790  -2.446
   15    HA   ARG   3           HA       ARG   3  -3.941   3.145   0.390
   16   1HB   ARG   3          2HB       ARG   3  -3.138   0.964  -1.323
   17   2HB   ARG   3          1HB       ARG   3  -2.064   1.040   0.074
   18   1HG   ARG   3          2HG       ARG   3  -3.791  -0.248   0.942
   19   2HG   ARG   3          1HG       ARG   3  -4.336   1.367   1.396
   20   1HD   ARG   3          2HD       ARG   3  -5.968   1.434  -0.292
   21   2HD   ARG   3          1HD       ARG   3  -5.151   0.189  -1.260
   22    HE   ARG   3           HE       ARG   3  -6.280  -1.426   0.033
   23   1HH1  ARG   3          1HH1      ARG   3  -8.372   0.446   0.920
   24   2HH1  ARG   3          2HH1      ARG   3  -8.233   0.401   2.646
   25   1HH2  ARG   3          1HH2      ARG   3  -5.067  -1.010   2.620
   26   2HH2  ARG   3          2HH2      ARG   3  -6.363  -0.423   3.608
   27    H    TYR   4           H        TYR   4  -2.592   4.238   1.772
   28    HA   TYR   4           HA       TYR   4  -0.024   5.277   0.796
   29   1HB   TYR   4          2HB       TYR   4  -1.143   5.471   3.594
   30   2HB   TYR   4          1HB       TYR   4  -0.144   6.640   2.731
   31    HD1  TYR   4           1HD      TYR   4  -1.152   7.725   0.607
   32    HD2  TYR   4           2HD      TYR   4  -3.487   5.655   3.558
   33    HE1  TYR   4           1HE      TYR   4  -3.197   8.874  -0.205
   34    HE2  TYR   4           2HE      TYR   4  -5.530   6.802   2.748
   35    HH   TYR   4           HH       TYR   4  -5.394   9.079   0.005
   36    H    LEU   5           H        LEU   5   1.421   5.292   3.179
   37    HA   LEU   5           HA       LEU   5   3.044   3.052   3.096
   38   1HB   LEU   5          2HB       LEU   5   2.306   5.093   5.137
   39   2HB   LEU   5          1HB       LEU   5   3.251   3.713   5.695
   40    HG   LEU   5           HG       LEU   5   4.022   5.358   3.280
   41   1HD1  LEU   5          1HD1      LEU   5   5.799   6.240   4.953
   42   2HD1  LEU   5          2HD1      LEU   5   4.682   5.697   6.205
   43   3HD1  LEU   5          3HD1      LEU   5   4.177   6.925   5.044
   44   1HD2  LEU   5          1HD2      LEU   5   5.917   4.059   3.211
   45   2HD2  LEU   5          2HD2      LEU   5   4.850   2.888   3.987
   46   3HD2  LEU   5          3HD2      LEU   5   5.959   3.851   4.962
   47    H    PHE   6           H        PHE   6   3.124   1.056   4.069
   48    HA   PHE   6           HA       PHE   6   2.192  -0.957   4.872
   49   1HB   PHE   6          2HB       PHE   6   1.197   0.992   6.968
   50   2HB   PHE   6          1HB       PHE   6   1.653  -0.698   7.212
   51    HD1  PHE   6           1HD      PHE   6   2.831   2.089   8.368
   52    HD2  PHE   6           2HD      PHE   6   4.065  -0.764   5.402
   53    HE1  PHE   6           1HE      PHE   6   5.195   2.769   8.693
   54    HE2  PHE   6           2HE      PHE   6   6.426  -0.087   5.730
   55    HZ   PHE   6           HZ       PHE   6   6.991   1.680   7.370
   56    H    GLY   7           H        GLY   7   0.434   0.600   3.017
   57   1HA   GLY   7          2HA       GLY   7  -2.283   0.382   4.056
   58   2HA   GLY   7          1HA       GLY   7  -1.842   0.703   2.378
   59    H    GLY   8           H        GLY   8  -3.453  -1.486   4.169
   60   1HA   GLY   8          2HA       GLY   8  -2.504  -4.046   3.575
   61   2HA   GLY   8          1HA       GLY   8  -4.223  -3.650   3.645
   62    H    CYS   9           H        CYS   9  -1.576  -4.381   1.556
   63    HA   CYS   9           HA       CYS   9  -3.367  -4.056  -0.828
   64   1HB   CYS   9          2HB       CYS   9  -1.415  -3.261  -1.999
   65   2HB   CYS   9          1HB       CYS   9  -1.582  -2.362  -0.488
   66    H    LYS  10           H        LYS  10  -2.952  -5.490  -2.553
   67    HA   LYS  10           HA       LYS  10  -1.591  -8.047  -1.779
   68   1HB   LYS  10          2HB       LYS  10  -4.145  -7.928  -2.089
   69   2HB   LYS  10          1HB       LYS  10  -3.816  -7.641  -3.797
   70   1HG   LYS  10          2HG       LYS  10  -2.206  -9.839  -3.065
   71   2HG   LYS  10          1HG       LYS  10  -3.789 -10.139  -2.346
   72   1HD   LYS  10          2HD       LYS  10  -3.594  -9.194  -5.194
   73   2HD   LYS  10          1HD       LYS  10  -3.352 -10.899  -4.815
   74   1HE   LYS  10          2HE       LYS  10  -5.565 -10.848  -3.575
   75   2HE   LYS  10          1HE       LYS  10  -5.820  -9.225  -4.251
   76   1HZ   LYS  10          1HZ       LYS  10  -5.260 -10.255  -6.467
   77   2HZ   LYS  10          2HZ       LYS  10  -6.755 -10.712  -5.803
   78   3HZ   LYS  10          3HZ       LYS  10  -5.427 -11.769  -5.723
   79    H    THR  11           H        THR  11  -1.460  -5.307  -3.727
   80    HA   THR  11           HA       THR  11   0.591  -6.545  -5.475
   81    HB   THR  11           HB       THR  11  -0.876  -5.248  -7.362
   82    HG1  THR  11           1HG      THR  11  -3.032  -5.631  -6.952
   83   1HG2  THR  11          1HG2      THR  11  -0.490  -7.352  -8.088
   84   2HG2  THR  11          2HG2      THR  11  -2.039  -7.758  -7.352
   85   3HG2  THR  11          3HG2      THR  11  -0.542  -8.011  -6.454
   86    H    THR  12           H        THR  12   1.730  -4.814  -6.759
   87    HA   THR  12           HA       THR  12   2.249  -2.472  -5.142
   88    HB   THR  12           HB       THR  12   3.207  -2.227  -7.838
   89    HG1  THR  12           1HG      THR  12   3.014  -4.291  -8.311
   90   1HG2  THR  12          1HG2      THR  12   5.314  -3.143  -6.386
   91   2HG2  THR  12          2HG2      THR  12   4.237  -2.614  -5.093
   92   3HG2  THR  12          3HG2      THR  12   4.747  -1.473  -6.339
   93    H    ALA  13           H        ALA  13   0.237  -3.101  -7.975
   94    HA   ALA  13           HA       ALA  13  -0.202  -0.315  -8.660
   95   1HB   ALA  13          1HB       ALA  13  -0.602  -1.804 -10.402
   96   2HB   ALA  13          2HB       ALA  13  -2.247  -1.567  -9.810
   97   3HB   ALA  13          3HB       ALA  13  -1.340  -3.005  -9.339
   98    H    ASP  14           H        ASP  14  -1.100  -1.986  -5.940
   99    HA   ASP  14           HA       ASP  14  -3.828  -0.846  -5.723
  100   1HB   ASP  14          2HB       ASP  14  -2.346  -3.089  -4.724
  101   2HB   ASP  14          1HB       ASP  14  -2.914  -2.141  -3.349
  102    H    CYS  15           H        CYS  15  -0.701   0.254  -5.147
  103    HA   CYS  15           HA       CYS  15  -1.509   1.795  -2.711
  104   1HB   CYS  15          2HB       CYS  15   1.247   1.873  -3.869
  105   2HB   CYS  15          1HB       CYS  15   0.748   1.906  -2.186
  106    H    CYS  16           H        CYS  16  -0.173   4.021  -2.785
  107    HA   CYS  16           HA       CYS  16  -1.415   5.645  -4.845
  108   1HB   CYS  16          2HB       CYS  16   0.605   6.103  -2.629
  109   2HB   CYS  16          1HB       CYS  16   0.015   7.411  -3.657
  110    H    LYS  17           H        LYS  17   0.411   7.424  -5.755
  111    HA   LYS  17           HA       LYS  17   2.043   5.799  -7.585
  112   1HB   LYS  17          2HB       LYS  17   2.441   8.041  -8.621
  113   2HB   LYS  17          1HB       LYS  17   0.726   7.705  -8.385
  114   1HG   LYS  17          2HG       LYS  17   1.722   8.901  -5.989
  115   2HG   LYS  17          1HG       LYS  17   2.250   9.890  -7.351
  116   1HD   LYS  17          2HD       LYS  17  -0.105   9.874  -8.208
  117   2HD   LYS  17          1HD       LYS  17  -0.591   9.030  -6.737
  118   1HE   LYS  17          2HE       LYS  17   0.212  10.912  -5.364
  119   2HE   LYS  17          1HE       LYS  17   0.742  11.762  -6.830
  120   1HZ   LYS  17          1HZ       LYS  17  -1.420  11.965  -7.600
  121   2HZ   LYS  17          2HZ       LYS  17  -1.604  12.245  -5.934
  122   3HZ   LYS  17          3HZ       LYS  17  -2.014  10.734  -6.595
  123    H    HIS  18           H        HIS  18   2.955   5.550  -4.950
  124    HA   HIS  18           HA       HIS  18   5.734   6.471  -5.245
  125   1HB   HIS  18          2HB       HIS  18   3.915   7.439  -3.012
  126   2HB   HIS  18          1HB       HIS  18   5.664   7.657  -3.029
  127    HD1  HIS  18           1HD      HIS  18   6.566   8.947  -5.317
  128    HD2  HIS  18           2HD      HIS  18   2.570   9.501  -4.262
  129    HE1  HIS  18           1HE      HIS  18   5.782  11.022  -6.541
  130    H    LEU  19           H        LEU  19   3.256   4.907  -3.230
  131    HA   LEU  19           HA       LEU  19   5.230   3.410  -1.662
  132   1HB   LEU  19          2HB       LEU  19   2.211   3.298  -1.918
  133   2HB   LEU  19          1HB       LEU  19   3.144   2.423  -0.701
  134    HG   LEU  19           HG       LEU  19   4.053   5.099  -0.644
  135   1HD1  LEU  19          1HD1      LEU  19   2.169   6.078  -1.595
  136   2HD1  LEU  19          2HD1      LEU  19   1.694   6.033   0.103
  137   3HD1  LEU  19          3HD1      LEU  19   1.091   4.809  -1.014
  138   1HD2  LEU  19          1HD2      LEU  19   4.083   3.781   1.324
  139   2HD2  LEU  19          2HD2      LEU  19   2.379   3.355   1.165
  140   3HD2  LEU  19          3HD2      LEU  19   2.840   4.992   1.632
  141    H    ALA  20           H        ALA  20   5.642   1.191  -1.824
  142    HA   ALA  20           HA       ALA  20   4.686  -0.146  -4.331
  143   1HB   ALA  20          1HB       ALA  20   6.953   0.059  -4.690
  144   2HB   ALA  20          2HB       ALA  20   7.007  -1.398  -3.695
  145   3HB   ALA  20          3HB       ALA  20   7.312   0.180  -2.968
  146    H    CYS  21           H        CYS  21   3.170  -1.649  -3.707
  147    HA   CYS  21           HA       CYS  21   2.746  -2.721  -1.158
  148   1HB   CYS  21          2HB       CYS  21   1.261  -2.796  -3.176
  149   2HB   CYS  21          1HB       CYS  21   2.299  -4.049  -3.850
  150    H    ARG  22           H        ARG  22   4.746  -3.389  -0.188
  151    HA   ARG  22           HA       ARG  22   6.592  -5.226  -1.448
  152   1HB   ARG  22          2HB       ARG  22   6.070  -4.111   1.295
  153   2HB   ARG  22          1HB       ARG  22   7.241  -5.417   1.099
  154   1HG   ARG  22          2HG       ARG  22   7.611  -3.374  -0.932
  155   2HG   ARG  22          1HG       ARG  22   7.709  -2.684   0.689
  156   1HD   ARG  22          2HD       ARG  22   9.532  -4.043   1.296
  157   2HD   ARG  22          1HD       ARG  22   9.189  -5.232   0.026
  158    HE   ARG  22           HE       ARG  22  10.212  -2.472  -0.524
  159   1HH1  ARG  22          1HH2      ARG  22  12.103  -4.789  -0.677
  160   2HH1  ARG  22          2HH2      ARG  22  12.061  -5.183  -2.363
  161   1HH2  ARG  22          1HH1      ARG  22   9.146  -3.408  -2.974
  162   2HH2  ARG  22          2HH1      ARG  22  10.385  -4.402  -3.663
  163    H    SER  23           H        SER  23   6.531  -7.449  -1.470
  164    HA   SER  23           HA       SER  23   4.178  -8.894  -0.767
  165   1HB   SER  23          2HB       SER  23   6.164  -9.312  -2.440
  166   2HB   SER  23          1HB       SER  23   6.891 -10.145  -1.069
  167    HG   SER  23           HG       SER  23   4.637 -11.153  -0.987
  168    H    ASP  24           H        ASP  24   6.646  -7.708   1.224
  169    HA   ASP  24           HA       ASP  24   6.764  -9.930   3.123
  170   1HB   ASP  24          2HB       ASP  24   7.799  -7.140   2.834
  171   2HB   ASP  24          1HB       ASP  24   7.782  -7.837   4.454
  172    H    GLY  25           H        GLY  25   4.221  -9.898   3.141
  173   1HA   GLY  25          2HA       GLY  25   2.660  -9.749   5.032
  174   2HA   GLY  25          1HA       GLY  25   3.381  -8.191   5.442
  175    H    LYS  26           H        LYS  26   3.104  -8.384   2.117
  176    HA   LYS  26           HA       LYS  26   1.674  -7.274   0.598
  177   1HB   LYS  26          2HB       LYS  26   0.048  -8.794   2.553
  178   2HB   LYS  26          1HB       LYS  26  -0.836  -7.577   1.631
  179   1HG   LYS  26          2HG       LYS  26  -0.824  -8.900  -0.188
  180   2HG   LYS  26          1HG       LYS  26   0.936  -8.996  -0.138
  181   1HD   LYS  26          2HD       LYS  26   0.019 -10.624   1.977
  182   2HD   LYS  26          1HD       LYS  26  -1.007 -11.007   0.594
  183   1HE   LYS  26          2HE       LYS  26   2.035 -10.958   0.532
  184   2HE   LYS  26          1HE       LYS  26   1.034 -12.423   0.600
  185   1HZ   LYS  26          1HZ       LYS  26  -0.165 -11.453  -1.393
  186   2HZ   LYS  26          2HZ       LYS  26   1.398 -12.055  -1.674
  187   3HZ   LYS  26          3HZ       LYS  26   1.141 -10.380  -1.541
  188    H    TYR  27           H        TYR  27   2.841  -5.306   1.757
  189    HA   TYR  27           HA       TYR  27   0.680  -3.462   2.708
  190   1HB   TYR  27          2HB       TYR  27   2.090  -2.745   4.521
  191   2HB   TYR  27          1HB       TYR  27   2.097  -4.505   4.553
  192    HD1  TYR  27           1HD      TYR  27   4.034  -1.494   3.597
  193    HD2  TYR  27           2HD      TYR  27   4.079  -5.766   4.039
  194    HE1  TYR  27           1HE      TYR  27   6.501  -1.495   3.344
  195    HE2  TYR  27           2HE      TYR  27   6.546  -5.767   3.785
  196    HH   TYR  27           HH       TYR  27   8.426  -4.155   4.122
  197    H    CYS  28           H        CYS  28   0.882  -1.367   1.834
  198    HA   CYS  28           HA       CYS  28   2.849  -1.035  -0.326
  199   1HB   CYS  28          2HB       CYS  28   0.522   0.562   0.759
  200   2HB   CYS  28          1HB       CYS  28   1.503   1.112  -0.598
  201    H    ALA  29           H        ALA  29   4.748   0.010  -0.100
  202    HA   ALA  29           HA       ALA  29   5.011   2.248   1.846
  203   1HB   ALA  29          1HB       ALA  29   5.660   0.198   3.052
  204   2HB   ALA  29          2HB       ALA  29   7.084   1.195   2.753
  205   3HB   ALA  29          3HB       ALA  29   6.777  -0.226   1.754
  206    H    TRP  30           H        TRP  30   6.063   3.905   0.748
  207    HA   TRP  30           HA       TRP  30   7.204   3.378  -1.885
  208   1HB   TRP  30          2HB       TRP  30   7.566   5.855  -1.829
  209   2HB   TRP  30          1HB       TRP  30   5.914   5.392  -1.429
  210    HD1  TRP  30           HD       TRP  30   9.118   5.624   0.732
  211    HE1  TRP  30           1HE      TRP  30   8.574   6.992   2.822
  212    HE3  TRP  30           3HE      TRP  30   4.254   6.855  -0.253
  213    HZ2  TRP  30           2HZ      TRP  30   6.378   8.440   3.949
  214    HZ3  TRP  30           3HZ      TRP  30   2.967   8.236   1.348
  215    HH2  TRP  30           HH       TRP  30   4.023   9.032   3.446
  216    H    ASP  31           H        ASP  31   9.419   4.213  -2.454
  217    HA   ASP  31           HA       ASP  31  11.380   3.246  -0.451
  218   1HB   ASP  31          2HB       ASP  31  11.313   2.440  -2.818
  219   2HB   ASP  31          1HB       ASP  31  11.676   4.080  -3.355
  220    H    GLY  32           H        GLY  32  10.226   6.209  -1.858
  221   1HA   GLY  32          2HA       GLY  32  10.770   8.431  -1.309
  222   2HA   GLY  32          1HA       GLY  32  11.867   7.803  -0.077
  223    H    THR  33           H        THR  33  11.679   7.756  -3.660
  224    HA   THR  33           HA       THR  33  14.362   8.991  -3.803
  225    HB   THR  33           HB       THR  33  14.576   6.475  -3.453
  226    HG1  THR  33           1HG      THR  33  16.167   6.336  -5.015
  227   1HG2  THR  33          1HG2      THR  33  13.610   4.994  -4.879
  228   2HG2  THR  33          2HG2      THR  33  13.926   6.002  -6.291
  229   3HG2  THR  33          3HG2      THR  33  12.531   6.336  -5.263
  230    H    PHE  34           H        PHE  34  14.712   8.045  -6.567
  231    HA   PHE  34           HA       PHE  34  12.387   8.647  -8.165
  232   1HB   PHE  34          2HB       PHE  34  13.514  10.823  -6.857
  233   2HB   PHE  34          1HB       PHE  34  14.221  10.913  -8.471
  234    HD1  PHE  34           1HD      PHE  34  11.594  12.115  -6.615
  235    HD2  PHE  34           2HD      PHE  34  12.325  10.142 -10.361
  236    HE1  PHE  34           1HE      PHE  34   9.458  13.008  -7.502
  237    HE2  PHE  34           2HE      PHE  34  10.188  11.037 -11.247
  238    HZ   PHE  34           HZ       PHE  34   8.755  12.469  -9.819
  Start of MODEL   13
    1   1H    THR   1          1HT       THR   1  -7.813   8.561  -4.637
    2   2H    THR   1          2HT       THR   1  -6.287   7.911  -5.004
    3   3H    THR   1          3HT       THR   1  -6.864   7.881  -3.408
    4    HA   THR   1           HA       THR   1  -8.575   6.310  -3.974
    5    HB   THR   1           HB       THR   1  -7.472   6.434  -6.786
    6    HG1  THR   1           1HG      THR   1  -9.863   7.686  -6.296
    7   1HG2  THR   1          1HG2      THR   1  -9.621   5.032  -5.367
    8   2HG2  THR   1          2HG2      THR   1  -8.853   4.647  -6.908
    9   3HG2  THR   1          3HG2      THR   1 -10.165   5.824  -6.846
   10    H    CYS   2           H        CYS   2  -5.984   6.155  -2.862
   11    HA   CYS   2           HA       CYS   2  -5.151   3.457  -3.801
   12   1HB   CYS   2          2HB       CYS   2  -2.747   4.358  -3.685
   13   2HB   CYS   2          1HB       CYS   2  -3.714   4.863  -5.067
   14    H    ARG   3           H        ARG   3  -3.255   2.740  -2.233
   15    HA   ARG   3           HA       ARG   3  -4.186   3.355   0.542
   16   1HB   ARG   3          2HB       ARG   3  -3.676   0.998  -0.912
   17   2HB   ARG   3          1HB       ARG   3  -2.345   1.129   0.240
   18   1HG   ARG   3          2HG       ARG   3  -3.699   0.788   2.038
   19   2HG   ARG   3          1HG       ARG   3  -5.004   1.761   1.358
   20   1HD   ARG   3          2HD       ARG   3  -4.868  -0.474  -0.328
   21   2HD   ARG   3          1HD       ARG   3  -4.677  -1.131   1.310
   22    HE   ARG   3           HE       ARG   3  -6.934  -0.561   1.669
   23   1HH1  ARG   3          1HH1      ARG   3  -6.453   0.361  -1.430
   24   2HH1  ARG   3          2HH1      ARG   3  -7.463   1.769  -1.399
   25   1HH2  ARG   3          1HH2      ARG   3  -7.829   1.755   2.050
   26   2HH2  ARG   3          2HH2      ARG   3  -8.242   2.559   0.572
   27    H    TYR   4           H        TYR   4  -2.823   4.500   1.857
   28    HA   TYR   4           HA       TYR   4  -0.239   5.419   0.861
   29   1HB   TYR   4          2HB       TYR   4  -1.343   5.679   3.664
   30   2HB   TYR   4          1HB       TYR   4  -0.300   6.803   2.793
   31    HD1  TYR   4           1HD      TYR   4  -1.370   7.495   0.369
   32    HD2  TYR   4           2HD      TYR   4  -3.564   6.331   3.874
   33    HE1  TYR   4           1HE      TYR   4  -3.369   8.691  -0.484
   34    HE2  TYR   4           2HE      TYR   4  -5.562   7.528   3.022
   35    HH   TYR   4           HH       TYR   4  -6.314   8.973   1.473
   36    H    LEU   5           H        LEU   5   1.259   5.462   3.195
   37    HA   LEU   5           HA       LEU   5   2.944   3.335   3.156
   38   1HB   LEU   5          2HB       LEU   5   1.942   5.160   5.287
   39   2HB   LEU   5          1HB       LEU   5   2.966   3.818   5.795
   40    HG   LEU   5           HG       LEU   5   3.861   5.390   3.428
   41   1HD1  LEU   5          1HD1      LEU   5   3.331   7.255   4.779
   42   2HD1  LEU   5          2HD1      LEU   5   5.028   6.943   5.146
   43   3HD1  LEU   5          3HD1      LEU   5   3.771   6.414   6.264
   44   1HD2  LEU   5          1HD2      LEU   5   5.091   3.934   5.767
   45   2HD2  LEU   5          2HD2      LEU   5   6.055   5.026   4.772
   46   3HD2  LEU   5          3HD2      LEU   5   5.292   3.612   4.045
   47    H    PHE   6           H        PHE   6   3.143   1.301   4.056
   48    HA   PHE   6           HA       PHE   6   2.270  -0.850   4.539
   49   1HB   PHE   6          2HB       PHE   6   1.244   0.822   6.848
   50   2HB   PHE   6          1HB       PHE   6   1.701  -0.882   6.898
   51    HD1  PHE   6           1HD      PHE   6   4.146  -0.951   5.297
   52    HD2  PHE   6           2HD      PHE   6   2.839   1.962   8.169
   53    HE1  PHE   6           1HE      PHE   6   6.502  -0.309   5.714
   54    HE2  PHE   6           2HE      PHE   6   5.198   2.603   8.589
   55    HZ   PHE   6           HZ       PHE   6   7.030   1.469   7.356
   56    H    GLY   7           H        GLY   7   0.410   0.816   2.894
   57   1HA   GLY   7          2HA       GLY   7  -2.273   0.506   3.899
   58   2HA   GLY   7          1HA       GLY   7  -1.841   0.761   2.207
   59    H    GLY   8           H        GLY   8  -3.416  -1.368   4.109
   60   1HA   GLY   8          2HA       GLY   8  -2.461  -3.941   3.615
   61   2HA   GLY   8          1HA       GLY   8  -4.181  -3.553   3.662
   62    H    CYS   9           H        CYS   9  -1.453  -4.173   1.588
   63    HA   CYS   9           HA       CYS   9  -3.255  -3.985  -0.805
   64   1HB   CYS   9          2HB       CYS   9  -1.287  -3.267  -1.995
   65   2HB   CYS   9          1HB       CYS   9  -1.442  -2.305  -0.523
   66    H    LYS  10           H        LYS  10  -2.863  -5.471  -2.478
   67    HA   LYS  10           HA       LYS  10  -1.499  -8.008  -1.651
   68   1HB   LYS  10          2HB       LYS  10  -4.146  -7.338  -2.685
   69   2HB   LYS  10          1HB       LYS  10  -3.336  -8.516  -3.717
   70   1HG   LYS  10          2HG       LYS  10  -3.300 -10.133  -2.081
   71   2HG   LYS  10          1HG       LYS  10  -3.173  -8.955  -0.774
   72   1HD   LYS  10          2HD       LYS  10  -5.681  -9.333  -2.429
   73   2HD   LYS  10          1HD       LYS  10  -5.399 -10.156  -0.894
   74   1HE   LYS  10          2HE       LYS  10  -5.547  -8.182   0.346
   75   2HE   LYS  10          1HE       LYS  10  -5.087  -7.166  -1.035
   76   1HZ   LYS  10          1HZ       LYS  10  -7.152  -7.345  -1.984
   77   2HZ   LYS  10          2HZ       LYS  10  -7.582  -7.364  -0.341
   78   3HZ   LYS  10          3HZ       LYS  10  -7.510  -8.817  -1.219
   79    H    THR  11           H        THR  11  -1.414  -5.320  -3.668
   80    HA   THR  11           HA       THR  11   0.570  -6.620  -5.461
   81    HB   THR  11           HB       THR  11  -0.738  -5.488  -7.399
   82    HG1  THR  11           1HG      THR  11  -2.363  -4.400  -6.650
   83   1HG2  THR  11          1HG2      THR  11  -1.655  -7.530  -7.871
   84   2HG2  THR  11          2HG2      THR  11  -2.419  -7.668  -6.288
   85   3HG2  THR  11          3HG2      THR  11  -0.702  -8.028  -6.473
   86    H    THR  12           H        THR  12   1.802  -4.939  -6.693
   87    HA   THR  12           HA       THR  12   2.442  -2.638  -5.065
   88    HB   THR  12           HB       THR  12   3.243  -2.667  -7.910
   89    HG1  THR  12           1HG      THR  12   4.300  -4.715  -6.342
   90   1HG2  THR  12          1HG2      THR  12   4.238  -1.781  -5.442
   91   2HG2  THR  12          2HG2      THR  12   5.069  -1.725  -6.996
   92   3HG2  THR  12          3HG2      THR  12   5.305  -3.102  -5.919
   93    H    ALA  13           H        ALA  13   0.509  -3.089  -8.016
   94    HA   ALA  13           HA       ALA  13   0.144  -0.273  -8.569
   95   1HB   ALA  13          1HB       ALA  13  -0.166  -2.459  -9.998
   96   2HB   ALA  13          2HB       ALA  13  -1.228  -1.082 -10.290
   97   3HB   ALA  13          3HB       ALA  13  -1.796  -2.444  -9.326
   98    H    ASP  14           H        ASP  14  -0.942  -2.074  -5.971
   99    HA   ASP  14           HA       ASP  14  -3.641  -0.886  -5.813
  100   1HB   ASP  14          2HB       ASP  14  -2.122  -3.082  -4.677
  101   2HB   ASP  14          1HB       ASP  14  -2.939  -2.166  -3.410
  102    H    CYS  15           H        CYS  15  -0.576   0.282  -5.179
  103    HA   CYS  15           HA       CYS  15  -1.428   1.757  -2.717
  104   1HB   CYS  15          2HB       CYS  15   1.299   2.016  -3.910
  105   2HB   CYS  15          1HB       CYS  15   0.827   1.953  -2.219
  106    H    CYS  16           H        CYS  16  -0.210   4.044  -2.780
  107    HA   CYS  16           HA       CYS  16  -1.539   5.634  -4.807
  108   1HB   CYS  16          2HB       CYS  16   0.461   6.123  -2.583
  109   2HB   CYS  16          1HB       CYS  16  -0.109   7.434  -3.619
  110    H    LYS  17           H        LYS  17   0.232   7.504  -5.677
  111    HA   LYS  17           HA       LYS  17   1.859   5.980  -7.595
  112   1HB   LYS  17          2HB       LYS  17   0.712   8.664  -7.254
  113   2HB   LYS  17          1HB       LYS  17   2.314   8.683  -7.992
  114   1HG   LYS  17          2HG       LYS  17   1.332   6.731  -9.468
  115   2HG   LYS  17          1HG       LYS  17  -0.218   7.430  -9.001
  116   1HD   LYS  17          2HD       LYS  17   1.134   9.686  -9.674
  117   2HD   LYS  17          1HD       LYS  17   1.891   8.530 -10.771
  118   1HE   LYS  17          2HE       LYS  17  -1.090   8.441 -10.550
  119   2HE   LYS  17          1HE       LYS  17  -0.370   9.792 -11.449
  120   1HZ   LYS  17          1HZ       LYS  17   1.035   8.120 -12.607
  121   2HZ   LYS  17          2HZ       LYS  17  -0.623   7.976 -12.956
  122   3HZ   LYS  17          3HZ       LYS  17   0.119   6.893 -11.877
  123    H    HIS  18           H        HIS  18   2.830   5.677  -4.962
  124    HA   HIS  18           HA       HIS  18   5.581   6.689  -5.296
  125   1HB   HIS  18          2HB       HIS  18   3.906   7.442  -2.878
  126   2HB   HIS  18          1HB       HIS  18   5.578   7.911  -3.177
  127    HD1  HIS  18           1HD      HIS  18   2.059   8.594  -4.317
  128    HD2  HIS  18           2HD      HIS  18   5.908  10.015  -5.058
  129    HE1  HIS  18           1HE      HIS  18   1.790  10.724  -5.660
  130    H    LEU  19           H        LEU  19   3.218   4.914  -3.331
  131    HA   LEU  19           HA       LEU  19   5.241   3.561  -1.725
  132   1HB   LEU  19          2HB       LEU  19   2.268   3.271  -2.179
  133   2HB   LEU  19          1HB       LEU  19   3.159   2.262  -1.037
  134    HG   LEU  19           HG       LEU  19   4.035   4.821  -0.436
  135   1HD1  LEU  19          1HD1      LEU  19   1.157   4.840  -1.322
  136   2HD1  LEU  19          2HD1      LEU  19   2.419   6.032  -1.633
  137   3HD1  LEU  19          3HD1      LEU  19   1.696   5.912  -0.030
  138   1HD2  LEU  19          1HD2      LEU  19   2.721   4.513   1.609
  139   2HD2  LEU  19          2HD2      LEU  19   3.447   2.983   1.126
  140   3HD2  LEU  19          3HD2      LEU  19   1.739   3.283   0.813
  141    H    ALA  20           H        ALA  20   5.236   1.119  -1.643
  142    HA   ALA  20           HA       ALA  20   4.836  -0.171  -4.308
  143   1HB   ALA  20          1HB       ALA  20   7.189  -1.239  -3.608
  144   2HB   ALA  20          2HB       ALA  20   7.339   0.280  -2.723
  145   3HB   ALA  20          3HB       ALA  20   7.108   0.296  -4.471
  146    H    CYS  21           H        CYS  21   3.266  -1.639  -3.640
  147    HA   CYS  21           HA       CYS  21   2.904  -2.786  -1.119
  148   1HB   CYS  21          2HB       CYS  21   1.407  -2.816  -3.149
  149   2HB   CYS  21          1HB       CYS  21   2.426  -4.093  -3.811
  150    H    ARG  22           H        ARG  22   4.434  -3.919   0.030
  151    HA   ARG  22           HA       ARG  22   6.458  -5.558  -1.377
  152   1HB   ARG  22          2HB       ARG  22   6.020  -4.325   1.285
  153   2HB   ARG  22          1HB       ARG  22   6.894  -5.858   1.303
  154   1HG   ARG  22          2HG       ARG  22   7.824  -4.109  -0.836
  155   2HG   ARG  22          1HG       ARG  22   7.989  -3.352   0.749
  156   1HD   ARG  22          2HD       ARG  22   8.949  -5.745   1.422
  157   2HD   ARG  22          1HD       ARG  22   9.315  -5.821  -0.313
  158    HE   ARG  22           HE       ARG  22  10.364  -3.477   0.074
  159   1HH1  ARG  22          1HH1      ARG  22  10.752  -6.325   1.884
  160   2HH1  ARG  22          2HH1      ARG  22  11.858  -5.636   3.025
  161   1HH2  ARG  22          1HH2      ARG  22  11.536  -2.411   1.790
  162   2HH2  ARG  22          2HH2      ARG  22  12.302  -3.420   2.971
  163    H    SER  23           H        SER  23   6.194  -7.733  -1.635
  164    HA   SER  23           HA       SER  23   3.860  -9.157  -0.970
  165   1HB   SER  23          2HB       SER  23   6.681  -9.835  -1.731
  166   2HB   SER  23          1HB       SER  23   5.567 -11.134  -1.318
  167    HG   SER  23           HG       SER  23   4.111 -10.062  -2.876
  168    H    ASP  24           H        ASP  24   6.706  -8.488   0.956
  169    HA   ASP  24           HA       ASP  24   6.217 -10.613   2.908
  170   1HB   ASP  24          2HB       ASP  24   8.159  -8.517   2.303
  171   2HB   ASP  24          1HB       ASP  24   7.843  -8.637   4.035
  172    H    GLY  25           H        GLY  25   3.946 -10.124   3.425
  173   1HA   GLY  25          2HA       GLY  25   2.699  -9.343   5.379
  174   2HA   GLY  25          1HA       GLY  25   3.724  -7.906   5.404
  175    H    LYS  26           H        LYS  26   3.009  -8.544   2.222
  176    HA   LYS  26           HA       LYS  26   1.713  -7.268   0.695
  177   1HB   LYS  26          2HB       LYS  26   0.040  -8.680   2.693
  178   2HB   LYS  26          1HB       LYS  26  -0.800  -7.447   1.753
  179   1HG   LYS  26          2HG       LYS  26  -0.110  -8.486  -0.331
  180   2HG   LYS  26          1HG       LYS  26   0.895  -9.646   0.539
  181   1HD   LYS  26          2HD       LYS  26  -1.936  -9.540   1.397
  182   2HD   LYS  26          1HD       LYS  26  -1.665 -10.158  -0.234
  183   1HE   LYS  26          2HE       LYS  26   0.129 -11.185   1.930
  184   2HE   LYS  26          1HE       LYS  26  -1.541 -11.786   1.886
  185   1HZ   LYS  26          1HZ       LYS  26   0.606 -12.150  -0.039
  186   2HZ   LYS  26          2HZ       LYS  26  -0.918 -11.808  -0.707
  187   3HZ   LYS  26          3HZ       LYS  26  -0.717 -13.153   0.310
  188    H    TYR  27           H        TYR  27   2.967  -5.322   1.821
  189    HA   TYR  27           HA       TYR  27   0.862  -3.410   2.777
  190   1HB   TYR  27          2HB       TYR  27   2.349  -2.683   4.530
  191   2HB   TYR  27          1HB       TYR  27   2.289  -4.442   4.603
  192    HD1  TYR  27           1HD      TYR  27   4.296  -1.566   3.338
  193    HD2  TYR  27           2HD      TYR  27   4.235  -5.759   4.273
  194    HE1  TYR  27           1HE      TYR  27   6.755  -1.670   3.035
  195    HE2  TYR  27           2HE      TYR  27   6.695  -5.862   3.970
  196    HH   TYR  27           HH       TYR  27   8.507  -3.114   2.727
  197    H    CYS  28           H        CYS  28   0.971  -1.429   1.743
  198    HA   CYS  28           HA       CYS  28   2.949  -1.070  -0.394
  199   1HB   CYS  28          2HB       CYS  28   0.550   0.427   0.661
  200   2HB   CYS  28          1HB       CYS  28   1.559   1.096  -0.622
  201    H    ALA  29           H        ALA  29   4.831   0.023  -0.174
  202    HA   ALA  29           HA       ALA  29   5.030   2.259   1.780
  203   1HB   ALA  29          1HB       ALA  29   5.710  -0.059   2.739
  204   2HB   ALA  29          2HB       ALA  29   6.850   1.272   2.944
  205   3HB   ALA  29          3HB       ALA  29   7.112   0.071   1.678
  206    H    TRP  30           H        TRP  30   6.043   3.941   0.717
  207    HA   TRP  30           HA       TRP  30   7.265   3.483  -1.894
  208   1HB   TRP  30          2HB       TRP  30   7.555   5.976  -1.771
  209   2HB   TRP  30          1HB       TRP  30   5.900   5.446  -1.472
  210    HD1  TRP  30           HD       TRP  30   9.004   5.808   0.812
  211    HE1  TRP  30           1HE      TRP  30   8.292   7.070   2.929
  212    HE3  TRP  30           3HE      TRP  30   4.085   6.665  -0.277
  213    HZ2  TRP  30           2HZ      TRP  30   5.952   8.297   4.028
  214    HZ3  TRP  30           3HZ      TRP  30   2.643   7.884   1.321
  215    HH2  TRP  30           HH       TRP  30   3.567   8.701   3.471
  216    H    ASP  31           H        ASP  31   9.483   4.446  -2.358
  217    HA   ASP  31           HA       ASP  31  11.375   3.539  -0.248
  218   1HB   ASP  31          2HB       ASP  31  11.255   2.807  -2.759
  219   2HB   ASP  31          1HB       ASP  31  12.060   4.346  -3.069
  220    H    GLY  32           H        GLY  32  10.048   6.414  -1.474
  221   1HA   GLY  32          2HA       GLY  32  10.697   8.672  -1.337
  222   2HA   GLY  32          1HA       GLY  32  11.433   8.179   0.189
  223    H    THR  33           H        THR  33  12.371   6.988  -3.004
  224    HA   THR  33           HA       THR  33  15.061   8.244  -2.575
  225    HB   THR  33           HB       THR  33  14.401   5.843  -4.290
  226    HG1  THR  33           1HG      THR  33  14.621   6.085  -1.515
  227   1HG2  THR  33          1HG2      THR  33  16.914   6.391  -2.725
  228   2HG2  THR  33          2HG2      THR  33  16.659   7.120  -4.309
  229   3HG2  THR  33          3HG2      THR  33  16.699   5.365  -4.143
  230    H    PHE  34           H        PHE  34  12.279   8.260  -4.555
  231    HA   PHE  34           HA       PHE  34  13.560  10.101  -6.461
  232   1HB   PHE  34          2HB       PHE  34  14.223   8.068  -7.491
  233   2HB   PHE  34          1HB       PHE  34  12.688   7.284  -7.118
  234    HD1  PHE  34           1HD      PHE  34  13.359  10.661  -8.591
  235    HD2  PHE  34           2HD      PHE  34  11.741   6.727  -9.195
  236    HE1  PHE  34           1HE      PHE  34  12.461  11.368 -10.791
  237    HE2  PHE  34           2HE      PHE  34  10.843   7.435 -11.394
  238    HZ   PHE  34           HZ       PHE  34  11.202   9.755 -12.194
  Start of MODEL   14
    1   1H    THR   1          1HT       THR   1  -8.230   9.119  -3.254
    2   2H    THR   1          2HT       THR   1  -6.616   9.101  -3.781
    3   3H    THR   1          3HT       THR   1  -7.004   8.588  -2.209
    4    HA   THR   1           HA       THR   1  -8.432   6.806  -3.334
    5    HB   THR   1           HB       THR   1  -8.290   8.075  -5.499
    6    HG1  THR   1           1HG      THR   1  -8.848   6.007  -5.780
    7   1HG2  THR   1          1HG2      THR   1  -5.407   7.211  -5.259
    8   2HG2  THR   1          2HG2      THR   1  -6.038   8.833  -5.540
    9   3HG2  THR   1          3HG2      THR   1  -6.136   7.617  -6.813
   10    H    CYS   2           H        CYS   2  -6.606   5.097  -4.777
   11    HA   CYS   2           HA       CYS   2  -5.107   3.390  -4.061
   12   1HB   CYS   2          2HB       CYS   2  -2.797   4.390  -3.972
   13   2HB   CYS   2          1HB       CYS   2  -3.754   4.900  -5.363
   14    H    ARG   3           H        ARG   3  -2.950   3.449  -2.355
   15    HA   ARG   3           HA       ARG   3  -4.172   4.012   0.325
   16   1HB   ARG   3          2HB       ARG   3  -3.357   1.542  -0.977
   17   2HB   ARG   3          1HB       ARG   3  -2.470   1.780   0.529
   18   1HG   ARG   3          2HG       ARG   3  -4.467   0.630   1.142
   19   2HG   ARG   3          1HG       ARG   3  -4.726   2.311   1.608
   20   1HD   ARG   3          2HD       ARG   3  -5.983   2.709  -0.482
   21   2HD   ARG   3          1HD       ARG   3  -5.727   1.019  -0.956
   22    HE   ARG   3           HE       ARG   3  -6.898   1.378   1.716
   23   1HH1  ARG   3          1HH1      ARG   3  -7.133  -0.873  -0.463
   24   2HH1  ARG   3          2HH1      ARG   3  -8.825  -0.756  -0.812
   25   1HH2  ARG   3          1HH2      ARG   3  -9.209   2.313   0.755
   26   2HH2  ARG   3          2HH2      ARG   3 -10.000   1.048  -0.123
   27    H    TYR   4           H        TYR   4  -2.383   4.019   2.059
   28    HA   TYR   4           HA       TYR   4   0.043   5.370   0.922
   29   1HB   TYR   4          2HB       TYR   4  -0.979   5.541   3.760
   30   2HB   TYR   4          1HB       TYR   4   0.034   6.692   2.890
   31    HD1  TYR   4           1HD      TYR   4  -0.922   8.368   1.458
   32    HD2  TYR   4           2HD      TYR   4  -3.394   5.298   3.166
   33    HE1  TYR   4           1HE      TYR   4  -2.950   9.597   0.733
   34    HE2  TYR   4           2HE      TYR   4  -5.422   6.528   2.440
   35    HH   TYR   4           HH       TYR   4  -6.212   8.336   1.445
   36    H    LEU   5           H        LEU   5   1.537   5.268   3.292
   37    HA   LEU   5           HA       LEU   5   3.029   2.916   3.066
   38   1HB   LEU   5          2HB       LEU   5   2.605   5.044   5.109
   39   2HB   LEU   5          1HB       LEU   5   3.506   3.616   5.615
   40    HG   LEU   5           HG       LEU   5   4.223   4.897   3.007
   41   1HD1  LEU   5          1HD1      LEU   5   4.254   6.861   4.313
   42   2HD1  LEU   5          2HD1      LEU   5   5.910   6.265   4.431
   43   3HD1  LEU   5          3HD1      LEU   5   4.779   5.999   5.758
   44   1HD2  LEU   5          1HD2      LEU   5   5.663   3.150   3.272
   45   2HD2  LEU   5          2HD2      LEU   5   5.370   3.055   5.009
   46   3HD2  LEU   5          3HD2      LEU   5   6.511   4.239   4.371
   47    H    PHE   6           H        PHE   6   3.021   0.921   4.063
   48    HA   PHE   6           HA       PHE   6   2.084  -0.979   5.089
   49   1HB   PHE   6          2HB       PHE   6   1.096   1.132   7.022
   50   2HB   PHE   6          1HB       PHE   6   1.498  -0.549   7.391
   51    HD1  PHE   6           1HD      PHE   6   3.955  -1.163   6.217
   52    HD2  PHE   6           2HD      PHE   6   2.713   2.628   7.806
   53    HE1  PHE   6           1HE      PHE   6   6.328  -0.520   6.532
   54    HE2  PHE   6           2HE      PHE   6   5.090   3.271   8.125
   55    HZ   PHE   6           HZ       PHE   6   6.895   1.696   7.480
   56    H    GLY   7           H        GLY   7   0.388   0.516   3.112
   57   1HA   GLY   7          2HA       GLY   7  -2.346   0.338   4.150
   58   2HA   GLY   7          1HA       GLY   7  -1.894   0.670   2.477
   59    H    GLY   8           H        GLY   8  -3.554  -1.513   4.199
   60   1HA   GLY   8          2HA       GLY   8  -2.590  -4.077   3.625
   61   2HA   GLY   8          1HA       GLY   8  -4.308  -3.676   3.648
   62    H    CYS   9           H        CYS   9  -1.598  -4.383   1.631
   63    HA   CYS   9           HA       CYS   9  -3.308  -3.978  -0.802
   64   1HB   CYS   9          2HB       CYS   9  -1.300  -3.260  -1.906
   65   2HB   CYS   9          1HB       CYS   9  -1.431  -2.385  -0.378
   66    H    LYS  10           H        LYS  10  -2.916  -5.405  -2.532
   67    HA   LYS  10           HA       LYS  10  -1.643  -8.015  -1.781
   68   1HB   LYS  10          2HB       LYS  10  -4.187  -7.876  -1.982
   69   2HB   LYS  10          1HB       LYS  10  -3.949  -7.524  -3.693
   70   1HG   LYS  10          2HG       LYS  10  -2.372  -9.712  -3.449
   71   2HG   LYS  10          1HG       LYS  10  -3.585 -10.074  -2.221
   72   1HD   LYS  10          2HD       LYS  10  -4.768  -9.030  -4.682
   73   2HD   LYS  10          1HD       LYS  10  -3.861 -10.519  -4.949
   74   1HE   LYS  10          2HE       LYS  10  -5.917 -10.207  -2.736
   75   2HE   LYS  10          1HE       LYS  10  -6.281 -10.911  -4.324
   76   1HZ   LYS  10          1HZ       LYS  10  -5.579 -12.781  -3.264
   77   2HZ   LYS  10          2HZ       LYS  10  -4.572 -11.940  -2.186
   78   3HZ   LYS  10          3HZ       LYS  10  -4.068 -12.215  -3.786
   79    H    THR  11           H        THR  11  -1.482  -5.278  -3.720
   80    HA   THR  11           HA       THR  11   0.433  -6.601  -5.569
   81    HB   THR  11           HB       THR  11  -0.813  -5.509  -7.506
   82    HG1  THR  11           1HG      THR  11  -2.887  -5.379  -5.582
   83   1HG2  THR  11          1HG2      THR  11  -2.530  -7.284  -7.606
   84   2HG2  THR  11          2HG2      THR  11  -2.271  -7.620  -5.894
   85   3HG2  THR  11          3HG2      THR  11  -0.979  -7.917  -7.057
   86    H    THR  12           H        THR  12   1.723  -4.963  -6.759
   87    HA   THR  12           HA       THR  12   2.497  -2.725  -5.137
   88    HB   THR  12           HB       THR  12   2.956  -3.249  -8.091
   89    HG1  THR  12           1HG      THR  12   4.531  -4.594  -7.478
   90   1HG2  THR  12          1HG2      THR  12   3.924  -1.192  -7.798
   91   2HG2  THR  12          2HG2      THR  12   5.247  -2.180  -7.178
   92   3HG2  THR  12          3HG2      THR  12   4.120  -1.414  -6.059
   93    H    ALA  13           H        ALA  13   0.529  -2.946  -8.111
   94    HA   ALA  13           HA       ALA  13   0.122  -0.120  -8.430
   95   1HB   ALA  13          1HB       ALA  13  -0.225  -2.107 -10.044
   96   2HB   ALA  13          2HB       ALA  13  -1.427  -0.816 -10.095
   97   3HB   ALA  13          3HB       ALA  13  -1.783  -2.320  -9.244
   98    H    ASP  14           H        ASP  14  -0.999  -2.226  -6.026
   99    HA   ASP  14           HA       ASP  14  -3.645  -1.056  -5.631
  100   1HB   ASP  14          2HB       ASP  14  -2.263  -3.335  -4.872
  101   2HB   ASP  14          1HB       ASP  14  -2.355  -2.413  -3.371
  102    H    CYS  15           H        CYS  15  -0.697   0.345  -5.276
  103    HA   CYS  15           HA       CYS  15  -1.468   1.762  -2.742
  104   1HB   CYS  15          2HB       CYS  15   1.268   1.972  -3.922
  105   2HB   CYS  15          1HB       CYS  15   0.786   1.915  -2.234
  106    H    CYS  16           H        CYS  16  -0.259   4.050  -2.831
  107    HA   CYS  16           HA       CYS  16  -1.537   5.592  -4.930
  108   1HB   CYS  16          2HB       CYS  16   0.329   6.146  -2.612
  109   2HB   CYS  16          1HB       CYS  16  -0.180   7.432  -3.709
  110    H    LYS  17           H        LYS  17   0.294   7.504  -5.660
  111    HA   LYS  17           HA       LYS  17   1.929   6.014  -7.593
  112   1HB   LYS  17          2HB       LYS  17   2.302   8.304  -8.492
  113   2HB   LYS  17          1HB       LYS  17   0.590   7.973  -8.223
  114   1HG   LYS  17          2HG       LYS  17   0.430   9.468  -6.497
  115   2HG   LYS  17          1HG       LYS  17   2.070   9.148  -5.931
  116   1HD   LYS  17          2HD       LYS  17   3.030  10.541  -7.609
  117   2HD   LYS  17          1HD       LYS  17   1.518  10.620  -8.513
  118   1HE   LYS  17          2HE       LYS  17   0.907  12.455  -7.340
  119   2HE   LYS  17          1HE       LYS  17   1.041  11.541  -5.824
  120   1HZ   LYS  17          1HZ       LYS  17   3.581  11.815  -6.312
  121   2HZ   LYS  17          2HZ       LYS  17   2.717  13.053  -5.536
  122   3HZ   LYS  17          3HZ       LYS  17   3.064  13.167  -7.195
  123    H    HIS  18           H        HIS  18   2.909   5.596  -4.981
  124    HA   HIS  18           HA       HIS  18   5.669   6.525  -5.333
  125   1HB   HIS  18          2HB       HIS  18   3.817   7.616  -3.225
  126   2HB   HIS  18          1HB       HIS  18   5.552   7.520  -2.916
  127    HD1  HIS  18           1HD      HIS  18   6.769   8.308  -5.548
  128    HD2  HIS  18           2HD      HIS  18   3.415  10.245  -4.002
  129    HE1  HIS  18           1HE      HIS  18   6.688  10.587  -6.649
  130    H    LEU  19           H        LEU  19   3.274   4.874  -3.318
  131    HA   LEU  19           HA       LEU  19   5.277   3.445  -1.756
  132   1HB   LEU  19          2HB       LEU  19   2.284   3.159  -2.084
  133   2HB   LEU  19          1HB       LEU  19   3.243   2.366  -0.830
  134    HG   LEU  19           HG       LEU  19   4.064   4.996  -0.656
  135   1HD1  LEU  19          1HD1      LEU  19   2.360   6.449  -1.097
  136   2HD1  LEU  19          2HD1      LEU  19   1.121   5.303  -0.587
  137   3HD1  LEU  19          3HD1      LEU  19   1.829   5.177  -2.196
  138   1HD2  LEU  19          1HD2      LEU  19   3.690   3.817   1.331
  139   2HD2  LEU  19          2HD2      LEU  19   2.077   3.304   0.833
  140   3HD2  LEU  19          3HD2      LEU  19   2.359   4.974   1.327
  141    H    ALA  20           H        ALA  20   5.397   1.090  -1.696
  142    HA   ALA  20           HA       ALA  20   4.782  -0.238  -4.310
  143   1HB   ALA  20          1HB       ALA  20   7.247   0.610  -3.511
  144   2HB   ALA  20          2HB       ALA  20   7.002  -0.803  -4.539
  145   3HB   ALA  20          3HB       ALA  20   7.228  -1.005  -2.802
  146    H    CYS  21           H        CYS  21   3.214  -1.716  -3.680
  147    HA   CYS  21           HA       CYS  21   2.816  -2.783  -1.110
  148   1HB   CYS  21          2HB       CYS  21   1.237  -2.806  -3.035
  149   2HB   CYS  21          1HB       CYS  21   2.246  -4.020  -3.821
  150    H    ARG  22           H        ARG  22   4.753  -3.576  -0.156
  151    HA   ARG  22           HA       ARG  22   6.540  -5.418  -1.520
  152   1HB   ARG  22          2HB       ARG  22   6.277  -3.992   1.012
  153   2HB   ARG  22          1HB       ARG  22   6.900  -5.626   1.248
  154   1HG   ARG  22          2HG       ARG  22   8.917  -4.894   0.576
  155   2HG   ARG  22          1HG       ARG  22   8.232  -4.617  -1.026
  156   1HD   ARG  22          2HD       ARG  22   8.519  -2.390  -0.725
  157   2HD   ARG  22          1HD       ARG  22   7.400  -2.453   0.652
  158    HE   ARG  22           HE       ARG  22   9.402  -3.141   2.046
  159   1HH1  ARG  22          1HH1      ARG  22   9.478  -0.298   0.662
  160   2HH1  ARG  22          2HH1      ARG  22  11.171  -0.209   0.311
  161   1HH2  ARG  22          1HH2      ARG  22  11.735  -3.582   0.881
  162   2HH2  ARG  22          2HH2      ARG  22  12.450  -2.069   0.435
  163    H    SER  23           H        SER  23   6.352  -7.618  -1.642
  164    HA   SER  23           HA       SER  23   4.011  -9.022  -0.884
  165   1HB   SER  23          2HB       SER  23   5.032 -10.659  -2.104
  166   2HB   SER  23          1HB       SER  23   6.219  -9.407  -2.464
  167    HG   SER  23           HG       SER  23   6.539 -11.672  -1.097
  168    H    ASP  24           H        ASP  24   6.758  -8.098   0.977
  169    HA   ASP  24           HA       ASP  24   6.609 -10.281   2.922
  170   1HB   ASP  24          2HB       ASP  24   7.883  -7.537   3.153
  171   2HB   ASP  24          1HB       ASP  24   8.334  -8.997   4.033
  172    H    GLY  25           H        GLY  25   4.248 -10.067   3.377
  173   1HA   GLY  25          2HA       GLY  25   2.917  -9.513   5.356
  174   2HA   GLY  25          1HA       GLY  25   3.763  -7.966   5.437
  175    H    LYS  26           H        LYS  26   3.242  -8.384   2.242
  176    HA   LYS  26           HA       LYS  26   1.723  -7.383   0.730
  177   1HB   LYS  26          2HB       LYS  26   0.292  -8.932   2.764
  178   2HB   LYS  26          1HB       LYS  26  -0.715  -7.677   2.043
  179   1HG   LYS  26          2HG       LYS  26  -0.929  -9.695   0.708
  180   2HG   LYS  26          1HG       LYS  26  -0.020  -8.501  -0.221
  181   1HD   LYS  26          2HD       LYS  26   2.094  -9.563   0.457
  182   2HD   LYS  26          1HD       LYS  26   1.200 -10.750   1.408
  183   1HE   LYS  26          2HE       LYS  26  -0.047 -11.265  -0.830
  184   2HE   LYS  26          1HE       LYS  26   1.343 -10.466  -1.590
  185   1HZ   LYS  26          1HZ       LYS  26   1.249 -12.938  -0.033
  186   2HZ   LYS  26          2HZ       LYS  26   2.611 -11.947   0.177
  187   3HZ   LYS  26          3HZ       LYS  26   2.218 -12.538  -1.366
  188    H    TYR  27           H        TYR  27   2.899  -5.326   1.747
  189    HA   TYR  27           HA       TYR  27   0.724  -3.490   2.683
  190   1HB   TYR  27          2HB       TYR  27   2.150  -2.683   4.447
  191   2HB   TYR  27          1HB       TYR  27   2.174  -4.441   4.546
  192    HD1  TYR  27           1HD      TYR  27   4.149  -1.460   4.107
  193    HD2  TYR  27           2HD      TYR  27   4.087  -5.696   3.399
  194    HE1  TYR  27           1HE      TYR  27   6.611  -1.447   3.812
  195    HE2  TYR  27           2HE      TYR  27   6.550  -5.683   3.105
  196    HH   TYR  27           HH       TYR  27   8.399  -4.462   3.155
  197    H    CYS  28           H        CYS  28   0.892  -1.400   1.801
  198    HA   CYS  28           HA       CYS  28   2.846  -1.062  -0.386
  199   1HB   CYS  28          2HB       CYS  28   0.410   0.397   0.636
  200   2HB   CYS  28          1HB       CYS  28   1.419   1.077  -0.640
  201    H    ALA  29           H        ALA  29   4.722   0.037  -0.132
  202    HA   ALA  29           HA       ALA  29   4.851   2.348   1.734
  203   1HB   ALA  29          1HB       ALA  29   7.188   1.054   2.345
  204   2HB   ALA  29          2HB       ALA  29   6.103  -0.315   2.097
  205   3HB   ALA  29          3HB       ALA  29   5.713   0.913   3.301
  206    H    TRP  30           H        TRP  30   5.985   3.971   0.675
  207    HA   TRP  30           HA       TRP  30   7.244   3.391  -1.893
  208   1HB   TRP  30          2HB       TRP  30   7.600   5.871  -1.863
  209   2HB   TRP  30          1HB       TRP  30   5.931   5.410  -1.534
  210    HD1  TRP  30           HD       TRP  30   9.045   5.720   0.739
  211    HE1  TRP  30           1HE      TRP  30   8.398   7.092   2.800
  212    HE3  TRP  30           3HE      TRP  30   4.192   6.810  -0.416
  213    HZ2  TRP  30           2HZ      TRP  30   6.129   8.498   3.837
  214    HZ3  TRP  30           3HZ      TRP  30   2.814   8.173   1.125
  215    HH2  TRP  30           HH       TRP  30   3.775   9.019   3.247
  216    H    ASP  31           H        ASP  31   9.488   4.185  -2.376
  217    HA   ASP  31           HA       ASP  31  11.334   3.315  -0.216
  218   1HB   ASP  31          2HB       ASP  31  11.115   2.776  -2.903
  219   2HB   ASP  31          1HB       ASP  31  12.375   4.012  -2.887
  220    H    GLY  32           H        GLY  32  10.031   6.186  -1.291
  221   1HA   GLY  32          2HA       GLY  32  10.791   8.260  -0.169
  222   2HA   GLY  32          1HA       GLY  32  12.450   7.704  -0.404
  223    H    THR  33           H        THR  33  11.024  10.192  -1.365
  224    HA   THR  33           HA       THR  33  11.887   9.959  -4.209
  225    HB   THR  33           HB       THR  33   9.590  11.540  -4.265
  226    HG1  THR  33           1HG      THR  33   9.183  10.693  -2.125
  227   1HG2  THR  33          1HG2      THR  33   8.610   9.260  -5.174
  228   2HG2  THR  33          2HG2      THR  33  10.283   8.726  -5.014
  229   3HG2  THR  33          3HG2      THR  33   9.890  10.095  -6.054
  230    H    PHE  34           H        PHE  34  11.053  12.543  -4.967
  231    HA   PHE  34           HA       PHE  34  12.805  14.237  -3.224
  232   1HB   PHE  34          2HB       PHE  34  13.033  13.610  -5.847
  233   2HB   PHE  34          1HB       PHE  34  12.028  15.053  -5.976
  234    HD1  PHE  34           1HD      PHE  34  15.295  13.729  -4.910
  235    HD2  PHE  34           2HD      PHE  34  12.845  17.237  -5.267
  236    HE1  PHE  34           1HE      PHE  34  17.283  15.157  -4.510
  237    HE2  PHE  34           2HE      PHE  34  14.831  18.667  -4.869
  238    HZ   PHE  34           HZ       PHE  34  17.050  17.626  -4.489
  Start of MODEL   15
    1   1H    THR   1          1HT       THR   1  -6.666   7.602  -6.685
    2   2H    THR   1          2HT       THR   1  -8.169   7.068  -7.271
    3   3H    THR   1          3HT       THR   1  -6.790   6.092  -7.450
    4    HA   THR   1           HA       THR   1  -7.683   6.874  -4.746
    5    HB   THR   1           HB       THR   1  -9.602   6.026  -6.168
    6    HG1  THR   1           1HG      THR   1  -9.764   4.047  -4.607
    7   1HG2  THR   1          1HG2      THR   1  -7.940   4.466  -7.431
    8   2HG2  THR   1          2HG2      THR   1  -9.567   3.873  -7.096
    9   3HG2  THR   1          3HG2      THR   1  -8.215   3.359  -6.087
   10    H    CYS   2           H        CYS   2  -6.345   5.838  -3.284
   11    HA   CYS   2           HA       CYS   2  -5.068   3.279  -3.862
   12   1HB   CYS   2          2HB       CYS   2  -2.754   4.283  -3.843
   13   2HB   CYS   2          1HB       CYS   2  -3.706   4.710  -5.266
   14    H    ARG   3           H        ARG   3  -3.025   3.242  -2.125
   15    HA   ARG   3           HA       ARG   3  -4.140   4.270   0.465
   16   1HB   ARG   3          2HB       ARG   3  -3.576   1.582  -0.522
   17   2HB   ARG   3          1HB       ARG   3  -2.705   1.919   0.974
   18   1HG   ARG   3          2HG       ARG   3  -4.661   2.269   2.195
   19   2HG   ARG   3          1HG       ARG   3  -5.606   2.661   0.757
   20   1HD   ARG   3          2HD       ARG   3  -4.814   0.073   0.221
   21   2HD   ARG   3          1HD       ARG   3  -5.082   0.032   1.974
   22    HE   ARG   3           HE       ARG   3  -7.244   1.473   1.005
   23   1HH1  ARG   3          1HH2      ARG   3  -7.777  -1.100   2.286
   24   2HH1  ARG   3          2HH2      ARG   3  -8.406  -2.071   0.997
   25   1HH2  ARG   3          1HH1      ARG   3  -7.215   0.012  -1.508
   26   2HH2  ARG   3          2HH1      ARG   3  -8.087  -1.441  -1.151
   27    H    TYR   4           H        TYR   4  -2.459   4.649   2.111
   28    HA   TYR   4           HA       TYR   4   0.079   5.571   0.894
   29   1HB   TYR   4          2HB       TYR   4  -0.847   5.772   3.765
   30   2HB   TYR   4          1HB       TYR   4   0.285   6.823   2.917
   31    HD1  TYR   4           1HD      TYR   4  -2.651   7.184   4.349
   32    HD2  TYR   4           2HD      TYR   4  -1.105   7.248   0.341
   33    HE1  TYR   4           1HE      TYR   4  -4.528   8.646   3.648
   34    HE2  TYR   4           2HE      TYR   4  -2.981   8.711  -0.359
   35    HH   TYR   4           HH       TYR   4  -5.171   9.339   0.317
   36    H    LEU   5           H        LEU   5   1.671   5.327   3.203
   37    HA   LEU   5           HA       LEU   5   3.010   2.904   2.860
   38   1HB   LEU   5          2HB       LEU   5   2.693   4.601   5.353
   39   2HB   LEU   5          1HB       LEU   5   3.985   3.435   5.082
   40    HG   LEU   5           HG       LEU   5   3.959   5.049   2.787
   41   1HD1  LEU   5          1HD1      LEU   5   3.066   7.016   3.456
   42   2HD1  LEU   5          2HD1      LEU   5   4.481   7.190   4.494
   43   3HD1  LEU   5          3HD1      LEU   5   2.998   6.490   5.138
   44   1HD2  LEU   5          1HD2      LEU   5   5.774   5.411   5.178
   45   2HD2  LEU   5          2HD2      LEU   5   6.181   5.578   3.470
   46   3HD2  LEU   5          3HD2      LEU   5   5.861   3.982   4.147
   47    H    PHE   6           H        PHE   6   3.066   0.949   4.038
   48    HA   PHE   6           HA       PHE   6   2.050  -0.936   5.022
   49   1HB   PHE   6          2HB       PHE   6   1.047   1.191   6.929
   50   2HB   PHE   6          1HB       PHE   6   1.496  -0.474   7.311
   51    HD1  PHE   6           1HD      PHE   6   2.620   2.755   7.671
   52    HD2  PHE   6           2HD      PHE   6   3.976  -1.039   6.181
   53    HE1  PHE   6           1HE      PHE   6   4.975   3.467   7.994
   54    HE2  PHE   6           2HE      PHE   6   6.328  -0.329   6.508
   55    HZ   PHE   6           HZ       PHE   6   6.828   1.924   7.406
   56    H    GLY   7           H        GLY   7   0.418   0.447   2.969
   57   1HA   GLY   7          2HA       GLY   7  -2.338   0.352   4.001
   58   2HA   GLY   7          1HA       GLY   7  -1.868   0.703   2.337
   59    H    GLY   8           H        GLY   8  -3.409  -1.563   4.179
   60   1HA   GLY   8          2HA       GLY   8  -2.519  -4.094   3.531
   61   2HA   GLY   8          1HA       GLY   8  -4.235  -3.685   3.538
   62    H    CYS   9           H        CYS   9  -1.561  -4.513   1.563
   63    HA   CYS   9           HA       CYS   9  -3.234  -4.097  -0.890
   64   1HB   CYS   9          2HB       CYS   9  -1.290  -3.252  -1.972
   65   2HB   CYS   9          1HB       CYS   9  -1.385  -2.451  -0.401
   66    H    LYS  10           H        LYS  10  -2.735  -5.499  -2.631
   67    HA   LYS  10           HA       LYS  10  -1.376  -8.056  -1.849
   68   1HB   LYS  10          2HB       LYS  10  -3.949  -7.959  -2.108
   69   2HB   LYS  10          1HB       LYS  10  -3.643  -7.736  -3.830
   70   1HG   LYS  10          2HG       LYS  10  -2.443  -9.840  -3.951
   71   2HG   LYS  10          1HG       LYS  10  -2.543 -10.044  -2.202
   72   1HD   LYS  10          2HD       LYS  10  -5.107  -9.905  -2.533
   73   2HD   LYS  10          1HD       LYS  10  -4.764 -10.202  -4.238
   74   1HE   LYS  10          2HE       LYS  10  -3.996 -12.366  -3.849
   75   2HE   LYS  10          1HE       LYS  10  -3.511 -12.002  -2.181
   76   1HZ   LYS  10          1HZ       LYS  10  -5.554 -13.266  -2.170
   77   2HZ   LYS  10          2HZ       LYS  10  -6.297 -12.146  -3.208
   78   3HZ   LYS  10          3HZ       LYS  10  -5.865 -11.689  -1.630
   79    H    THR  11           H        THR  11  -1.264  -5.317  -3.767
   80    HA   THR  11           HA       THR  11   0.745  -6.524  -5.563
   81    HB   THR  11           HB       THR  11  -0.692  -5.475  -7.521
   82    HG1  THR  11           1HG      THR  11  -2.248  -4.664  -5.990
   83   1HG2  THR  11          1HG2      THR  11  -1.326  -7.627  -8.067
   84   2HG2  THR  11          2HG2      THR  11  -1.872  -7.994  -6.430
   85   3HG2  THR  11          3HG2      THR  11  -0.147  -7.978  -6.802
   86    H    THR  12           H        THR  12   1.813  -4.804  -6.889
   87    HA   THR  12           HA       THR  12   2.350  -2.418  -5.378
   88    HB   THR  12           HB       THR  12   3.224  -1.970  -7.965
   89    HG1  THR  12           1HG      THR  12   3.642  -4.692  -7.648
   90   1HG2  THR  12          1HG2      THR  12   5.222  -3.510  -6.970
   91   2HG2  THR  12          2HG2      THR  12   4.307  -3.200  -5.496
   92   3HG2  THR  12          3HG2      THR  12   4.927  -1.852  -6.449
   93    H    ALA  13           H        ALA  13   0.143  -3.132  -8.040
   94    HA   ALA  13           HA       ALA  13  -0.455  -0.373  -8.707
   95   1HB   ALA  13          1HB       ALA  13  -1.333  -3.113  -9.375
   96   2HB   ALA  13          2HB       ALA  13  -1.078  -1.727 -10.435
   97   3HB   ALA  13          3HB       ALA  13  -2.589  -1.886  -9.540
   98    H    ASP  14           H        ASP  14  -1.072  -2.016  -5.896
   99    HA   ASP  14           HA       ASP  14  -3.818  -0.959  -5.506
  100   1HB   ASP  14          2HB       ASP  14  -2.256  -3.184  -4.633
  101   2HB   ASP  14          1HB       ASP  14  -2.698  -2.244  -3.206
  102    H    CYS  15           H        CYS  15  -0.708   0.235  -5.164
  103    HA   CYS  15           HA       CYS  15  -1.392   1.758  -2.674
  104   1HB   CYS  15          2HB       CYS  15   1.291   1.921  -3.966
  105   2HB   CYS  15          1HB       CYS  15   0.878   1.879  -2.261
  106    H    CYS  16           H        CYS  16  -0.196   4.021  -2.814
  107    HA   CYS  16           HA       CYS  16  -1.494   5.534  -4.940
  108   1HB   CYS  16          2HB       CYS  16   0.361   6.151  -2.624
  109   2HB   CYS  16          1HB       CYS  16  -0.179   7.406  -3.736
  110    H    LYS  17           H        LYS  17   0.280   7.422  -5.760
  111    HA   LYS  17           HA       LYS  17   2.052   5.889  -7.534
  112   1HB   LYS  17          2HB       LYS  17   1.249   8.783  -7.194
  113   2HB   LYS  17          1HB       LYS  17   2.468   8.295  -8.372
  114   1HG   LYS  17          2HG       LYS  17   0.889   7.550  -9.799
  115   2HG   LYS  17          1HG       LYS  17   0.133   6.578  -8.535
  116   1HD   LYS  17          2HD       LYS  17  -1.390   8.212  -7.996
  117   2HD   LYS  17          1HD       LYS  17  -0.279   9.523  -8.389
  118   1HE   LYS  17          2HE       LYS  17  -1.124   7.832 -10.685
  119   2HE   LYS  17          1HE       LYS  17  -2.375   8.875  -9.980
  120   1HZ   LYS  17          1HZ       LYS  17  -0.765   9.867 -11.726
  121   2HZ   LYS  17          2HZ       LYS  17   0.338   9.928 -10.435
  122   3HZ   LYS  17          3HZ       LYS  17  -1.135  10.769 -10.339
  123    H    HIS  18           H        HIS  18   2.943   5.572  -4.916
  124    HA   HIS  18           HA       HIS  18   5.648   6.732  -5.099
  125   1HB   HIS  18          2HB       HIS  18   3.956   7.261  -2.640
  126   2HB   HIS  18          1HB       HIS  18   5.537   7.940  -3.023
  127    HD1  HIS  18           1HD      HIS  18   5.620   9.725  -4.983
  128    HD2  HIS  18           2HD      HIS  18   1.782   8.619  -3.789
  129    HE1  HIS  18           1HE      HIS  18   4.040  11.443  -5.967
  130    H    LEU  19           H        LEU  19   3.292   4.838  -3.232
  131    HA   LEU  19           HA       LEU  19   5.376   3.431  -1.728
  132   1HB   LEU  19          2HB       LEU  19   2.411   2.900  -2.007
  133   2HB   LEU  19          1HB       LEU  19   3.463   2.336  -0.708
  134    HG   LEU  19           HG       LEU  19   3.836   5.131  -0.883
  135   1HD1  LEU  19          1HD1      LEU  19   0.917   4.610  -0.464
  136   2HD1  LEU  19          2HD1      LEU  19   1.517   4.796  -2.111
  137   3HD1  LEU  19          3HD1      LEU  19   1.728   6.101  -0.944
  138   1HD2  LEU  19          1HD2      LEU  19   2.731   5.044   1.378
  139   2HD2  LEU  19          2HD2      LEU  19   4.021   3.859   1.169
  140   3HD2  LEU  19          3HD2      LEU  19   2.334   3.354   1.060
  141    H    ALA  20           H        ALA  20   5.411   1.039  -1.709
  142    HA   ALA  20           HA       ALA  20   4.821  -0.200  -4.369
  143   1HB   ALA  20          1HB       ALA  20   7.068  -0.289  -4.669
  144   2HB   ALA  20          2HB       ALA  20   7.162  -1.357  -3.268
  145   3HB   ALA  20          3HB       ALA  20   7.342   0.385  -3.063
  146    H    CYS  21           H        CYS  21   3.242  -1.687  -3.799
  147    HA   CYS  21           HA       CYS  21   2.748  -2.761  -1.261
  148   1HB   CYS  21          2HB       CYS  21   1.268  -2.825  -3.262
  149   2HB   CYS  21          1HB       CYS  21   2.325  -4.037  -3.982
  150    H    ARG  22           H        ARG  22   4.616  -3.534  -0.189
  151    HA   ARG  22           HA       ARG  22   6.485  -5.377  -1.455
  152   1HB   ARG  22          2HB       ARG  22   6.035  -4.033   1.155
  153   2HB   ARG  22          1HB       ARG  22   6.955  -5.537   1.218
  154   1HG   ARG  22          2HG       ARG  22   8.534  -4.688  -0.439
  155   2HG   ARG  22          1HG       ARG  22   7.584  -3.214  -0.629
  156   1HD   ARG  22          2HD       ARG  22   9.389  -2.663   0.873
  157   2HD   ARG  22          1HD       ARG  22   7.945  -2.836   1.890
  158    HE   ARG  22           HE       ARG  22   8.828  -4.881   2.737
  159   1HH1  ARG  22          1HH1      ARG  22   9.577  -6.179   0.177
  160   2HH1  ARG  22          2HH1      ARG  22  11.305  -6.231   0.270
  161   1HH2  ARG  22          1HH2      ARG  22  11.505  -3.882   2.812
  162   2HH2  ARG  22          2HH2      ARG  22  12.397  -4.931   1.760
  163    H    SER  23           H        SER  23   6.400  -7.600  -1.424
  164    HA   SER  23           HA       SER  23   3.996  -8.962  -0.662
  165   1HB   SER  23          2HB       SER  23   6.456  -9.417  -2.087
  166   2HB   SER  23          1HB       SER  23   6.134 -10.783  -1.022
  167    HG   SER  23           HG       SER  23   5.038 -10.302  -3.334
  168    H    ASP  24           H        ASP  24   6.751  -8.017   1.134
  169    HA   ASP  24           HA       ASP  24   6.749 -10.252   3.024
  170   1HB   ASP  24          2HB       ASP  24   8.712  -8.809   2.409
  171   2HB   ASP  24          1HB       ASP  24   7.924  -7.461   3.228
  172    H    GLY  25           H        GLY  25   4.215  -9.816   3.174
  173   1HA   GLY  25          2HA       GLY  25   2.990  -9.498   5.360
  174   2HA   GLY  25          1HA       GLY  25   3.754  -7.909   5.434
  175    H    LYS  26           H        LYS  26   3.192  -8.292   2.254
  176    HA   LYS  26           HA       LYS  26   1.570  -7.411   0.782
  177   1HB   LYS  26          2HB       LYS  26   0.277  -9.005   2.850
  178   2HB   LYS  26          1HB       LYS  26  -0.800  -7.745   2.244
  179   1HG   LYS  26          2HG       LYS  26  -0.864  -8.626   0.119
  180   2HG   LYS  26          1HG       LYS  26   0.773  -9.275   0.226
  181   1HD   LYS  26          2HD       LYS  26  -0.971 -10.539   2.172
  182   2HD   LYS  26          1HD       LYS  26  -1.614 -10.714   0.540
  183   1HE   LYS  26          2HE       LYS  26   0.155 -12.020  -0.160
  184   2HE   LYS  26          1HE       LYS  26   1.315 -11.189   0.895
  185   1HZ   LYS  26          1HZ       LYS  26  -0.847 -13.019   1.800
  186   2HZ   LYS  26          2HZ       LYS  26   0.246 -12.200   2.812
  187   3HZ   LYS  26          3HZ       LYS  26   0.805 -13.399   1.746
  188    H    TYR  27           H        TYR  27   2.760  -5.335   1.801
  189    HA   TYR  27           HA       TYR  27   0.561  -3.493   2.620
  190   1HB   TYR  27          2HB       TYR  27   1.872  -2.672   4.471
  191   2HB   TYR  27          1HB       TYR  27   1.847  -4.429   4.597
  192    HD1  TYR  27           1HD      TYR  27   3.901  -1.477   3.852
  193    HD2  TYR  27           2HD      TYR  27   3.827  -5.769   4.040
  194    HE1  TYR  27           1HE      TYR  27   6.378  -1.524   3.764
  195    HE2  TYR  27           2HE      TYR  27   6.305  -5.815   3.950
  196    HH   TYR  27           HH       TYR  27   8.209  -3.684   4.704
  197    H    CYS  28           H        CYS  28   0.807  -1.426   1.730
  198    HA   CYS  28           HA       CYS  28   2.850  -1.133  -0.366
  199   1HB   CYS  28          2HB       CYS  28   0.442   0.414   0.592
  200   2HB   CYS  28          1HB       CYS  28   1.493   1.032  -0.681
  201    H    ALA  29           H        ALA  29   4.712  -0.016  -0.128
  202    HA   ALA  29           HA       ALA  29   4.878   2.243   1.796
  203   1HB   ALA  29          1HB       ALA  29   5.894  -0.455   2.235
  204   2HB   ALA  29          2HB       ALA  29   5.813   0.896   3.364
  205   3HB   ALA  29          3HB       ALA  29   7.196   0.733   2.284
  206    H    TRP  30           H        TRP  30   6.025   3.857   0.757
  207    HA   TRP  30           HA       TRP  30   7.364   3.259  -1.766
  208   1HB   TRP  30          2HB       TRP  30   7.715   5.731  -1.768
  209   2HB   TRP  30          1HB       TRP  30   6.039   5.280  -1.472
  210    HD1  TRP  30           HD       TRP  30   9.044   5.558   0.948
  211    HE1  TRP  30           1HE      TRP  30   8.353   7.043   2.910
  212    HE3  TRP  30           3HE      TRP  30   4.331   6.861  -0.538
  213    HZ2  TRP  30           2HZ      TRP  30   6.117   8.612   3.754
  214    HZ3  TRP  30           3HZ      TRP  30   2.950   8.363   0.863
  215    HH2  TRP  30           HH       TRP  30   3.836   9.240   3.007
  216    H    ASP  31           H        ASP  31   9.639   4.069  -2.163
  217    HA   ASP  31           HA       ASP  31  11.408   3.042  -0.045
  218   1HB   ASP  31          2HB       ASP  31  11.909   2.353  -2.261
  219   2HB   ASP  31          1HB       ASP  31  11.690   3.982  -2.903
  220    H    GLY  32           H        GLY  32  10.163   6.078  -1.026
  221   1HA   GLY  32          2HA       GLY  32  10.624   7.960   0.567
  222   2HA   GLY  32          1HA       GLY  32  12.319   7.477   0.507
  223    H    THR  33           H        THR  33  12.575   7.030  -2.266
  224    HA   THR  33           HA       THR  33  12.497   9.834  -3.251
  225    HB   THR  33           HB       THR  33  14.188   8.962  -4.817
  226    HG1  THR  33           1HG      THR  33  14.150   6.927  -5.240
  227   1HG2  THR  33          1HG2      THR  33  15.203   9.646  -2.823
  228   2HG2  THR  33          2HG2      THR  33  15.779   7.987  -2.989
  229   3HG2  THR  33          3HG2      THR  33  14.451   8.354  -1.888
  230    H    PHE  34           H        PHE  34  12.822   8.561  -6.029
  231    HA   PHE  34           HA       PHE  34  11.401   8.128  -7.869
  232   1HB   PHE  34          2HB       PHE  34  11.223   5.998  -6.702
  233   2HB   PHE  34          1HB       PHE  34  10.013   6.660  -5.604
  234    HD1  PHE  34           1HD      PHE  34   7.713   6.789  -6.221
  235    HD2  PHE  34           2HD      PHE  34  10.684   5.790  -9.159
  236    HE1  PHE  34           1HE      PHE  34   5.923   6.178  -7.824
  237    HE2  PHE  34           2HE      PHE  34   8.894   5.179 -10.762
  238    HZ   PHE  34           HZ       PHE  34   6.513   5.373 -10.095
  Start of MODEL   16
    1   1H    THR   1          1HT       THR   1  -8.007   7.172  -2.878
    2   2H    THR   1          2HT       THR   1  -8.638   5.636  -2.517
    3   3H    THR   1          3HT       THR   1  -9.606   6.793  -3.300
    4    HA   THR   1           HA       THR   1  -8.996   5.490  -5.084
    5    HB   THR   1           HB       THR   1  -6.996   7.705  -4.590
    6    HG1  THR   1           1HG      THR   1  -8.369   8.814  -5.932
    7   1HG2  THR   1          1HG2      THR   1  -6.075   5.994  -6.177
    8   2HG2  THR   1          2HG2      THR   1  -6.351   7.569  -6.922
    9   3HG2  THR   1          3HG2      THR   1  -7.489   6.251  -7.201
   10    H    CYS   2           H        CYS   2  -5.902   6.169  -3.382
   11    HA   CYS   2           HA       CYS   2  -5.093   3.342  -3.989
   12   1HB   CYS   2          2HB       CYS   2  -2.763   4.346  -3.886
   13   2HB   CYS   2          1HB       CYS   2  -3.760   4.919  -5.222
   14    H    ARG   3           H        ARG   3  -3.002   2.980  -2.381
   15    HA   ARG   3           HA       ARG   3  -4.086   3.422   0.381
   16   1HB   ARG   3          2HB       ARG   3  -2.941   1.156  -1.123
   17   2HB   ARG   3          1HB       ARG   3  -2.291   1.336   0.508
   18   1HG   ARG   3          2HG       ARG   3  -5.260   1.430  -0.026
   19   2HG   ARG   3          1HG       ARG   3  -4.418  -0.096   0.251
   20   1HD   ARG   3          2HD       ARG   3  -4.026   0.372   2.480
   21   2HD   ARG   3          1HD       ARG   3  -3.911   2.121   2.197
   22    HE   ARG   3           HE       ARG   3  -6.566   1.197   1.582
   23   1HH1  ARG   3          1HH1      ARG   3  -4.753   3.040   3.694
   24   2HH1  ARG   3          2HH1      ARG   3  -5.847   2.919   5.032
   25   1HH2  ARG   3          1HH2      ARG   3  -7.847   0.523   3.517
   26   2HH2  ARG   3          2HH2      ARG   3  -7.600   1.492   4.931
   27    H    TYR   4           H        TYR   4  -2.583   4.073   2.000
   28    HA   TYR   4           HA       TYR   4  -0.107   5.345   0.938
   29   1HB   TYR   4          2HB       TYR   4  -1.565   5.544   3.593
   30   2HB   TYR   4          1HB       TYR   4  -0.208   6.554   3.092
   31    HD1  TYR   4           1HD      TYR   4  -3.694   5.578   2.183
   32    HD2  TYR   4           2HD      TYR   4  -0.543   8.462   1.730
   33    HE1  TYR   4           1HE      TYR   4  -5.258   7.102   1.008
   34    HE2  TYR   4           2HE      TYR   4  -2.108   9.985   0.555
   35    HH   TYR   4           HH       TYR   4  -4.577   9.326  -0.890
   36    H    LEU   5           H        LEU   5   1.243   5.416   3.414
   37    HA   LEU   5           HA       LEU   5   3.017   3.342   3.382
   38   1HB   LEU   5          2HB       LEU   5   1.882   5.095   5.506
   39   2HB   LEU   5          1HB       LEU   5   2.902   3.759   6.034
   40    HG   LEU   5           HG       LEU   5   3.906   5.348   3.739
   41   1HD1  LEU   5          1HD1      LEU   5   4.921   6.837   5.753
   42   2HD1  LEU   5          2HD1      LEU   5   3.332   6.480   6.429
   43   3HD1  LEU   5          3HD1      LEU   5   3.463   7.297   4.873
   44   1HD2  LEU   5          1HD2      LEU   5   4.996   3.361   5.023
   45   2HD2  LEU   5          2HD2      LEU   5   5.352   4.563   6.263
   46   3HD2  LEU   5          3HD2      LEU   5   6.001   4.757   4.635
   47    H    PHE   6           H        PHE   6   3.167   1.263   4.054
   48    HA   PHE   6           HA       PHE   6   2.319  -0.909   4.449
   49   1HB   PHE   6          2HB       PHE   6   1.369   0.694   6.840
   50   2HB   PHE   6          1HB       PHE   6   1.678  -1.045   6.818
   51    HD1  PHE   6           1HD      PHE   6   3.119   2.191   7.332
   52    HD2  PHE   6           2HD      PHE   6   4.042  -1.807   6.061
   53    HE1  PHE   6           1HE      PHE   6   5.527   2.608   7.763
   54    HE2  PHE   6           2HE      PHE   6   6.448  -1.393   6.496
   55    HZ   PHE   6           HZ       PHE   6   7.190   0.816   7.344
   56    H    GLY   7           H        GLY   7   0.388   0.935   2.983
   57   1HA   GLY   7          2HA       GLY   7  -2.265   0.507   3.976
   58   2HA   GLY   7          1HA       GLY   7  -1.862   0.830   2.290
   59    H    GLY   8           H        GLY   8  -3.241  -1.451   4.266
   60   1HA   GLY   8          2HA       GLY   8  -2.304  -3.963   3.587
   61   2HA   GLY   8          1HA       GLY   8  -4.029  -3.613   3.712
   62    H    CYS   9           H        CYS   9  -1.438  -4.293   1.545
   63    HA   CYS   9           HA       CYS   9  -3.281  -3.918  -0.793
   64   1HB   CYS   9          2HB       CYS   9  -1.304  -3.254  -2.011
   65   2HB   CYS   9          1HB       CYS   9  -1.400  -2.325  -0.511
   66    H    LYS  10           H        LYS  10  -2.993  -5.362  -2.527
   67    HA   LYS  10           HA       LYS  10  -1.758  -7.995  -1.803
   68   1HB   LYS  10          2HB       LYS  10  -4.250  -7.912  -2.009
   69   2HB   LYS  10          1HB       LYS  10  -4.070  -7.317  -3.660
   70   1HG   LYS  10          2HG       LYS  10  -3.301  -9.354  -4.461
   71   2HG   LYS  10          1HG       LYS  10  -2.660  -9.844  -2.892
   72   1HD   LYS  10          2HD       LYS  10  -4.530 -11.125  -2.755
   73   2HD   LYS  10          1HD       LYS  10  -5.343  -9.612  -2.349
   74   1HE   LYS  10          2HE       LYS  10  -4.982 -10.505  -5.223
   75   2HE   LYS  10          1HE       LYS  10  -6.405 -10.955  -4.259
   76   1HZ   LYS  10          1HZ       LYS  10  -6.303  -8.411  -3.657
   77   2HZ   LYS  10          2HZ       LYS  10  -7.105  -8.950  -5.053
   78   3HZ   LYS  10          3HZ       LYS  10  -5.538  -8.306  -5.167
   79    H    THR  11           H        THR  11  -1.567  -5.245  -3.763
   80    HA   THR  11           HA       THR  11   0.399  -6.575  -5.557
   81    HB   THR  11           HB       THR  11  -0.942  -5.155  -7.403
   82    HG1  THR  11           1HG      THR  11  -2.911  -4.735  -6.829
   83   1HG2  THR  11          1HG2      THR  11  -1.403  -7.939  -6.362
   84   2HG2  THR  11          2HG2      THR  11  -0.566  -7.430  -7.828
   85   3HG2  THR  11          3HG2      THR  11  -2.325  -7.336  -7.740
   86    H    THR  12           H        THR  12   1.691  -4.920  -6.753
   87    HA   THR  12           HA       THR  12   2.421  -2.677  -5.094
   88    HB   THR  12           HB       THR  12   3.378  -2.311  -7.729
   89    HG1  THR  12           1HG      THR  12   3.856  -4.326  -8.405
   90   1HG2  THR  12          1HG2      THR  12   5.123  -3.978  -6.173
   91   2HG2  THR  12          2HG2      THR  12   4.338  -2.811  -5.109
   92   3HG2  THR  12          3HG2      THR  12   5.257  -2.250  -6.505
   93    H    ALA  13           H        ALA  13   0.562  -2.931  -8.132
   94    HA   ALA  13           HA       ALA  13   0.207  -0.101  -8.516
   95   1HB   ALA  13          1HB       ALA  13  -1.668  -2.312  -9.374
   96   2HB   ALA  13          2HB       ALA  13  -0.089  -2.089 -10.124
   97   3HB   ALA  13          3HB       ALA  13  -1.299  -0.811 -10.224
   98    H    ASP  14           H        ASP  14  -1.006  -2.135  -6.109
   99    HA   ASP  14           HA       ASP  14  -3.659  -0.917  -5.852
  100   1HB   ASP  14          2HB       ASP  14  -2.129  -3.143  -4.824
  101   2HB   ASP  14          1HB       ASP  14  -2.869  -2.260  -3.489
  102    H    CYS  15           H        CYS  15  -0.621   0.286  -5.243
  103    HA   CYS  15           HA       CYS  15  -1.461   1.709  -2.745
  104   1HB   CYS  15          2HB       CYS  15   1.276   1.965  -3.910
  105   2HB   CYS  15          1HB       CYS  15   0.789   1.868  -2.225
  106    H    CYS  16           H        CYS  16  -0.259   3.997  -2.769
  107    HA   CYS  16           HA       CYS  16  -1.542   5.594  -4.822
  108   1HB   CYS  16          2HB       CYS  16   0.390   6.094  -2.542
  109   2HB   CYS  16          1HB       CYS  16  -0.199   7.401  -3.573
  110    H    LYS  17           H        LYS  17   0.234   7.477  -5.646
  111    HA   LYS  17           HA       LYS  17   1.890   5.975  -7.540
  112   1HB   LYS  17          2HB       LYS  17   2.323   8.320  -8.386
  113   2HB   LYS  17          1HB       LYS  17   0.614   7.898  -8.275
  114   1HG   LYS  17          2HG       LYS  17   1.499   8.956  -5.748
  115   2HG   LYS  17          1HG       LYS  17   1.929  10.080  -7.036
  116   1HD   LYS  17          2HD       LYS  17  -0.704   9.091  -7.563
  117   2HD   LYS  17          1HD       LYS  17  -0.645   9.633  -5.885
  118   1HE   LYS  17          2HE       LYS  17   0.764  11.593  -7.351
  119   2HE   LYS  17          1HE       LYS  17  -0.702  11.240  -8.289
  120   1HZ   LYS  17          1HZ       LYS  17  -0.544  11.914  -5.400
  121   2HZ   LYS  17          2HZ       LYS  17  -1.954  11.353  -6.166
  122   3HZ   LYS  17          3HZ       LYS  17  -1.267  12.839  -6.623
  123    H    HIS  18           H        HIS  18   2.846   5.566  -4.925
  124    HA   HIS  18           HA       HIS  18   5.611   6.493  -5.241
  125   1HB   HIS  18          2HB       HIS  18   3.686   7.661  -3.273
  126   2HB   HIS  18          1HB       HIS  18   5.353   7.423  -2.749
  127    HD1  HIS  18           1HD      HIS  18   6.882   8.079  -5.304
  128    HD2  HIS  18           2HD      HIS  18   3.666  10.359  -3.949
  129    HE1  HIS  18           1HE      HIS  18   7.139  10.372  -6.349
  130    H    LEU  19           H        LEU  19   3.185   4.835  -3.254
  131    HA   LEU  19           HA       LEU  19   5.196   3.380  -1.706
  132   1HB   LEU  19          2HB       LEU  19   2.188   3.298  -1.974
  133   2HB   LEU  19          1HB       LEU  19   3.080   2.252  -0.866
  134    HG   LEU  19           HG       LEU  19   4.079   4.897  -0.551
  135   1HD1  LEU  19          1HD1      LEU  19   1.677   5.632   0.446
  136   2HD1  LEU  19          2HD1      LEU  19   1.142   4.699  -0.950
  137   3HD1  LEU  19          3HD1      LEU  19   2.217   6.078  -1.171
  138   1HD2  LEU  19          1HD2      LEU  19   2.739   2.783   1.047
  139   2HD2  LEU  19          2HD2      LEU  19   2.674   4.416   1.707
  140   3HD2  LEU  19          3HD2      LEU  19   4.230   3.667   1.370
  141    H    ALA  20           H        ALA  20   5.616   1.153  -1.823
  142    HA   ALA  20           HA       ALA  20   4.800  -0.197  -4.374
  143   1HB   ALA  20          1HB       ALA  20   7.310   0.595  -3.453
  144   2HB   ALA  20          2HB       ALA  20   7.015  -0.600  -4.717
  145   3HB   ALA  20          3HB       ALA  20   7.250  -1.120  -3.049
  146    H    CYS  21           H        CYS  21   3.233  -1.662  -3.726
  147    HA   CYS  21           HA       CYS  21   2.803  -2.761  -1.201
  148   1HB   CYS  21          2HB       CYS  21   1.345  -2.834  -3.236
  149   2HB   CYS  21          1HB       CYS  21   2.391  -4.090  -3.894
  150    H    ARG  22           H        ARG  22   4.495  -3.667  -0.043
  151    HA   ARG  22           HA       ARG  22   6.491  -5.402  -1.310
  152   1HB   ARG  22          2HB       ARG  22   5.972  -4.040   1.248
  153   2HB   ARG  22          1HB       ARG  22   6.760  -5.608   1.430
  154   1HG   ARG  22          2HG       ARG  22   7.802  -3.784  -0.691
  155   2HG   ARG  22          1HG       ARG  22   8.168  -3.377   0.987
  156   1HD   ARG  22          2HD       ARG  22   9.028  -5.726   1.306
  157   2HD   ARG  22          1HD       ARG  22   8.824  -5.977  -0.440
  158    HE   ARG  22           HE       ARG  22  10.318  -3.890  -0.683
  159   1HH1  ARG  22          1HH2      ARG  22  11.700  -6.520   0.157
  160   2HH1  ARG  22          2HH2      ARG  22  12.764  -5.934   1.392
  161   1HH2  ARG  22          1HH1      ARG  22  11.132  -2.895   1.731
  162   2HH2  ARG  22          2HH1      ARG  22  12.443  -3.883   2.282
  163    H    SER  23           H        SER  23   6.248  -7.588  -1.534
  164    HA   SER  23           HA       SER  23   3.906  -9.006  -0.799
  165   1HB   SER  23          2HB       SER  23   6.654 -10.155  -1.308
  166   2HB   SER  23          1HB       SER  23   5.097 -10.884  -1.690
  167    HG   SER  23           HG       SER  23   6.568  -9.369  -3.235
  168    H    ASP  24           H        ASP  24   6.768  -8.240   1.015
  169    HA   ASP  24           HA       ASP  24   6.512 -10.430   2.940
  170   1HB   ASP  24          2HB       ASP  24   8.155  -7.957   2.532
  171   2HB   ASP  24          1HB       ASP  24   8.130  -8.679   4.142
  172    H    GLY  25           H        GLY  25   4.090  -9.854   3.238
  173   1HA   GLY  25          2HA       GLY  25   2.957  -9.285   5.410
  174   2HA   GLY  25          1HA       GLY  25   3.837  -7.757   5.357
  175    H    LYS  26           H        LYS  26   3.088  -8.386   2.221
  176    HA   LYS  26           HA       LYS  26   1.530  -7.371   0.757
  177   1HB   LYS  26          2HB       LYS  26   0.141  -8.786   2.951
  178   2HB   LYS  26          1HB       LYS  26  -0.865  -7.642   2.063
  179   1HG   LYS  26          2HG       LYS  26  -1.133  -9.340   0.581
  180   2HG   LYS  26          1HG       LYS  26   0.480  -8.894   0.024
  181   1HD   LYS  26          2HD       LYS  26   1.428 -10.492   1.727
  182   2HD   LYS  26          1HD       LYS  26  -0.220 -11.031   2.054
  183   1HE   LYS  26          2HE       LYS  26  -0.373 -12.182   0.072
  184   2HE   LYS  26          1HE       LYS  26   0.592 -10.981  -0.812
  185   1HZ   LYS  26          1HZ       LYS  26   1.943 -12.415   1.331
  186   2HZ   LYS  26          2HZ       LYS  26   2.529 -11.928  -0.186
  187   3HZ   LYS  26          3HZ       LYS  26   1.576 -13.326  -0.051
  188    H    TYR  27           H        TYR  27   2.834  -5.357   1.924
  189    HA   TYR  27           HA       TYR  27   0.664  -3.434   2.664
  190   1HB   TYR  27          2HB       TYR  27   1.913  -2.698   4.569
  191   2HB   TYR  27          1HB       TYR  27   1.932  -4.458   4.638
  192    HD1  TYR  27           1HD      TYR  27   3.962  -5.657   4.601
  193    HD2  TYR  27           2HD      TYR  27   3.916  -1.507   3.497
  194    HE1  TYR  27           1HE      TYR  27   6.440  -5.642   4.560
  195    HE2  TYR  27           2HE      TYR  27   6.396  -1.490   3.456
  196    HH   TYR  27           HH       TYR  27   8.252  -2.690   4.274
  197    H    CYS  28           H        CYS  28   0.911  -1.454   1.646
  198    HA   CYS  28           HA       CYS  28   3.024  -1.175  -0.354
  199   1HB   CYS  28          2HB       CYS  28   0.668   0.476   0.566
  200   2HB   CYS  28          1HB       CYS  28   1.735   0.995  -0.737
  201    H    ALA  29           H        ALA  29   4.852  -0.019  -0.191
  202    HA   ALA  29           HA       ALA  29   5.115   2.127   1.861
  203   1HB   ALA  29          1HB       ALA  29   6.676  -0.448   1.653
  204   2HB   ALA  29          2HB       ALA  29   5.956   0.289   3.085
  205   3HB   ALA  29          3HB       ALA  29   7.410   0.985   2.372
  206    H    TRP  30           H        TRP  30   5.997   3.875   0.758
  207    HA   TRP  30           HA       TRP  30   7.136   3.483  -1.899
  208   1HB   TRP  30          2HB       TRP  30   7.340   5.971  -1.800
  209   2HB   TRP  30          1HB       TRP  30   5.726   5.401  -1.385
  210    HD1  TRP  30           HD       TRP  30   8.955   5.828   0.708
  211    HE1  TRP  30           1HE      TRP  30   8.355   7.112   2.838
  212    HE3  TRP  30           3HE      TRP  30   3.987   6.674  -0.134
  213    HZ2  TRP  30           2HZ      TRP  30   6.079   8.360   4.045
  214    HZ3  TRP  30           3HZ      TRP  30   2.632   7.918   1.520
  215    HH2  TRP  30           HH       TRP  30   3.670   8.764   3.607
  216    H    ASP  31           H        ASP  31   9.284   4.404  -2.482
  217    HA   ASP  31           HA       ASP  31  11.316   3.530  -0.518
  218   1HB   ASP  31          2HB       ASP  31  12.740   3.451  -2.445
  219   2HB   ASP  31          1HB       ASP  31  11.166   2.866  -2.983
  220    H    GLY  32           H        GLY  32  12.278   5.037   0.781
  221   1HA   GLY  32          2HA       GLY  32  13.726   7.197   0.400
  222   2HA   GLY  32          1HA       GLY  32  12.165   7.898  -0.031
  223    H    THR  33           H        THR  33  13.991   6.425   2.616
  224    HA   THR  33           HA       THR  33  12.213   7.887   4.527
  225    HB   THR  33           HB       THR  33  12.915   5.538   5.821
  226    HG1  THR  33           1HG      THR  33  11.974   4.685   3.341
  227   1HG2  THR  33          1HG2      THR  33  10.690   5.600   6.117
  228   2HG2  THR  33          2HG2      THR  33  10.428   5.176   4.427
  229   3HG2  THR  33          3HG2      THR  33  10.589   6.867   4.896
  230    H    PHE  34           H        PHE  34  13.304   8.106   6.702
  231    HA   PHE  34           HA       PHE  34  16.289   7.954   6.540
  232   1HB   PHE  34          2HB       PHE  34  15.485  10.203   5.887
  233   2HB   PHE  34          1HB       PHE  34  14.594  10.321   7.404
  234    HD1  PHE  34           1HD      PHE  34  15.642  11.816   8.851
  235    HD2  PHE  34           2HD      PHE  34  18.041   9.117   6.527
  236    HE1  PHE  34           1HE      PHE  34  17.682  12.655   9.984
  237    HE2  PHE  34           2HE      PHE  34  20.082   9.954   7.662
  238    HZ   PHE  34           HZ       PHE  34  19.902  11.723   9.390
  Start of MODEL   17
    1   1H    THR   1          1HT       THR   1  -7.613   8.318  -6.211
    2   2H    THR   1          2HT       THR   1  -6.049   7.664  -6.324
    3   3H    THR   1          3HT       THR   1  -6.705   8.048  -4.804
    4    HA   THR   1           HA       THR   1  -8.275   6.284  -4.917
    5    HB   THR   1           HB       THR   1  -8.957   6.603  -7.192
    6    HG1  THR   1           1HG      THR   1  -7.547   4.158  -7.261
    7   1HG2  THR   1          1HG2      THR   1  -7.180   7.425  -8.405
    8   2HG2  THR   1          2HG2      THR   1  -7.154   5.754  -8.969
    9   3HG2  THR   1          3HG2      THR   1  -6.037   6.277  -7.707
   10    H    CYS   2           H        CYS   2  -6.313   5.932  -3.419
   11    HA   CYS   2           HA       CYS   2  -5.068   3.368  -4.059
   12   1HB   CYS   2          2HB       CYS   2  -2.738   4.354  -3.916
   13   2HB   CYS   2          1HB       CYS   2  -3.635   4.804  -5.367
   14    H    ARG   3           H        ARG   3  -3.091   3.213  -2.268
   15    HA   ARG   3           HA       ARG   3  -4.292   4.117   0.331
   16   1HB   ARG   3          2HB       ARG   3  -3.369   1.505  -0.733
   17   2HB   ARG   3          1HB       ARG   3  -2.894   1.852   0.930
   18   1HG   ARG   3          2HG       ARG   3  -5.563   2.667   0.792
   19   2HG   ARG   3          1HG       ARG   3  -5.518   1.161  -0.124
   20   1HD   ARG   3          2HD       ARG   3  -4.137   0.232   1.882
   21   2HD   ARG   3          1HD       ARG   3  -4.798   1.619   2.770
   22    HE   ARG   3           HE       ARG   3  -6.417  -0.564   1.549
   23   1HH1  ARG   3          1HH2      ARG   3  -5.999   1.064   4.365
   24   2HH1  ARG   3          2HH2      ARG   3  -7.647   1.548   4.580
   25   1HH2  ARG   3          1HH1      ARG   3  -8.618   0.605   1.389
   26   2HH2  ARG   3          2HH1      ARG   3  -9.131   1.288   2.895
   27    H    TYR   4           H        TYR   4  -2.748   4.717   1.966
   28    HA   TYR   4           HA       TYR   4  -0.177   5.679   0.876
   29   1HB   TYR   4          2HB       TYR   4  -1.563   5.916   3.567
   30   2HB   TYR   4          1HB       TYR   4  -0.073   6.756   3.136
   31    HD1  TYR   4           1HD      TYR   4  -0.516   7.529   0.354
   32    HD2  TYR   4           2HD      TYR   4  -3.244   7.555   3.671
   33    HE1  TYR   4           1HE      TYR   4  -1.838   9.317  -0.746
   34    HE2  TYR   4           2HE      TYR   4  -4.565   9.341   2.571
   35    HH   TYR   4           HH       TYR   4  -4.921  10.387   0.564
   36    H    LEU   5           H        LEU   5   1.323   5.549   3.239
   37    HA   LEU   5           HA       LEU   5   2.862   3.273   3.031
   38   1HB   LEU   5          2HB       LEU   5   2.190   5.205   5.202
   39   2HB   LEU   5          1HB       LEU   5   3.137   3.784   5.645
   40    HG   LEU   5           HG       LEU   5   3.840   5.652   3.370
   41   1HD1  LEU   5          1HD1      LEU   5   5.792   6.098   5.117
   42   2HD1  LEU   5          2HD1      LEU   5   4.549   5.632   6.278
   43   3HD1  LEU   5          3HD1      LEU   5   4.280   7.004   5.202
   44   1HD2  LEU   5          1HD2      LEU   5   6.120   4.400   3.956
   45   2HD2  LEU   5          2HD2      LEU   5   4.941   3.684   2.859
   46   3HD2  LEU   5          3HD2      LEU   5   5.010   3.161   4.542
   47    H    PHE   6           H        PHE   6   3.010   1.292   4.093
   48    HA   PHE   6           HA       PHE   6   2.063  -0.768   4.779
   49   1HB   PHE   6          2HB       PHE   6   1.008   1.101   6.915
   50   2HB   PHE   6          1HB       PHE   6   1.522  -0.577   7.116
   51    HD1  PHE   6           1HD      PHE   6   3.984  -1.032   6.097
   52    HD2  PHE   6           2HD      PHE   6   2.551   2.737   7.572
   53    HE1  PHE   6           1HE      PHE   6   6.320  -0.280   6.433
   54    HE2  PHE   6           2HE      PHE   6   4.890   3.490   7.914
   55    HZ   PHE   6           HZ       PHE   6   6.774   1.981   7.335
   56    H    GLY   7           H        GLY   7   0.324   0.739   2.915
   57   1HA   GLY   7          2HA       GLY   7  -2.404   0.517   3.923
   58   2HA   GLY   7          1HA       GLY   7  -1.944   0.808   2.244
   59    H    GLY   8           H        GLY   8  -3.375  -1.437   4.233
   60   1HA   GLY   8          2HA       GLY   8  -2.421  -3.958   3.625
   61   2HA   GLY   8          1HA       GLY   8  -4.149  -3.609   3.701
   62    H    CYS   9           H        CYS   9  -1.501  -4.322   1.610
   63    HA   CYS   9           HA       CYS   9  -3.309  -4.035  -0.768
   64   1HB   CYS   9          2HB       CYS   9  -1.375  -3.275  -1.969
   65   2HB   CYS   9          1HB       CYS   9  -1.480  -2.366  -0.458
   66    H    LYS  10           H        LYS  10  -2.939  -5.495  -2.467
   67    HA   LYS  10           HA       LYS  10  -1.606  -8.065  -1.682
   68   1HB   LYS  10          2HB       LYS  10  -4.257  -7.494  -2.329
   69   2HB   LYS  10          1HB       LYS  10  -3.596  -8.113  -3.842
   70   1HG   LYS  10          2HG       LYS  10  -2.556  -9.951  -2.212
   71   2HG   LYS  10          1HG       LYS  10  -3.942  -9.499  -1.219
   72   1HD   LYS  10          2HD       LYS  10  -5.445  -9.907  -3.143
   73   2HD   LYS  10          1HD       LYS  10  -4.056 -10.393  -4.115
   74   1HE   LYS  10          2HE       LYS  10  -3.790 -11.946  -1.822
   75   2HE   LYS  10          1HE       LYS  10  -5.539 -11.941  -2.123
   76   1HZ   LYS  10          1HZ       LYS  10  -3.357 -12.785  -3.919
   77   2HZ   LYS  10          2HZ       LYS  10  -4.832 -12.245  -4.567
   78   3HZ   LYS  10          3HZ       LYS  10  -4.796 -13.598  -3.539
   79    H    THR  11           H        THR  11  -1.454  -5.346  -3.661
   80    HA   THR  11           HA       THR  11   0.537  -6.642  -5.441
   81    HB   THR  11           HB       THR  11  -0.884  -5.367  -7.335
   82    HG1  THR  11           1HG      THR  11  -3.006  -6.408  -5.900
   83   1HG2  THR  11          1HG2      THR  11  -1.884  -8.040  -6.376
   84   2HG2  THR  11          2HG2      THR  11  -0.248  -7.867  -7.010
   85   3HG2  THR  11          3HG2      THR  11  -1.634  -7.482  -8.030
   86    H    THR  12           H        THR  12   1.728  -4.965  -6.716
   87    HA   THR  12           HA       THR  12   2.403  -2.656  -5.143
   88    HB   THR  12           HB       THR  12   2.913  -3.365  -8.050
   89    HG1  THR  12           1HG      THR  12   5.014  -3.887  -6.895
   90   1HG2  THR  12          1HG2      THR  12   3.564  -1.025  -6.494
   91   2HG2  THR  12          2HG2      THR  12   3.924  -1.362  -8.188
   92   3HG2  THR  12          3HG2      THR  12   5.042  -1.886  -6.929
   93    H    ALA  13           H        ALA  13   0.317  -3.089  -7.991
   94    HA   ALA  13           HA       ALA  13  -0.122  -0.287  -8.500
   95   1HB   ALA  13          1HB       ALA  13  -1.303  -1.160 -10.240
   96   2HB   ALA  13          2HB       ALA  13  -2.264  -2.189  -9.180
   97   3HB   ALA  13          3HB       ALA  13  -0.660  -2.710  -9.694
   98    H    ASP  14           H        ASP  14  -1.062  -2.154  -5.862
   99    HA   ASP  14           HA       ASP  14  -3.730  -0.964  -5.502
  100   1HB   ASP  14          2HB       ASP  14  -1.936  -2.915  -4.106
  101   2HB   ASP  14          1HB       ASP  14  -3.257  -2.189  -3.192
  102    H    CYS  15           H        CYS  15  -0.669   0.293  -5.142
  103    HA   CYS  15           HA       CYS  15  -1.416   1.824  -2.672
  104   1HB   CYS  15          2HB       CYS  15   1.306   1.984  -3.878
  105   2HB   CYS  15          1HB       CYS  15   0.836   1.942  -2.186
  106    H    CYS  16           H        CYS  16  -0.223   4.090  -2.813
  107    HA   CYS  16           HA       CYS  16  -1.468   5.587  -4.972
  108   1HB   CYS  16          2HB       CYS  16   0.367   6.200  -2.639
  109   2HB   CYS  16          1HB       CYS  16  -0.153   7.457  -3.764
  110    H    LYS  17           H        LYS  17   0.301   7.450  -5.819
  111    HA   LYS  17           HA       LYS  17   2.080   5.900  -7.562
  112   1HB   LYS  17          2HB       LYS  17   1.413   8.840  -7.242
  113   2HB   LYS  17          1HB       LYS  17   2.481   8.220  -8.502
  114   1HG   LYS  17          2HG       LYS  17   0.672   7.780  -9.764
  115   2HG   LYS  17          1HG       LYS  17   0.163   6.597  -8.558
  116   1HD   LYS  17          2HD       LYS  17  -1.637   7.922  -8.221
  117   2HD   LYS  17          1HD       LYS  17  -0.531   9.024  -7.402
  118   1HE   LYS  17          2HE       LYS  17  -1.262  10.517  -8.988
  119   2HE   LYS  17          1HE       LYS  17  -0.086   9.688 -10.028
  120   1HZ   LYS  17          1HZ       LYS  17  -2.771   8.543  -9.647
  121   2HZ   LYS  17          2HZ       LYS  17  -1.696   8.345 -10.948
  122   3HZ   LYS  17          3HZ       LYS  17  -2.555   9.800 -10.764
  123    H    HIS  18           H        HIS  18   2.947   5.619  -4.919
  124    HA   HIS  18           HA       HIS  18   5.672   6.738  -5.110
  125   1HB   HIS  18          2HB       HIS  18   4.094   7.277  -2.591
  126   2HB   HIS  18          1HB       HIS  18   5.580   8.048  -3.139
  127    HD1  HIS  18           1HD      HIS  18   5.372   9.866  -5.010
  128    HD2  HIS  18           2HD      HIS  18   1.714   8.368  -3.684
  129    HE1  HIS  18           1HE      HIS  18   3.592  11.431  -5.899
  130    H    LEU  19           H        LEU  19   3.289   4.878  -3.264
  131    HA   LEU  19           HA       LEU  19   5.274   3.494  -1.644
  132   1HB   LEU  19          2HB       LEU  19   2.339   3.020  -2.221
  133   2HB   LEU  19          1HB       LEU  19   3.252   2.240  -0.927
  134    HG   LEU  19           HG       LEU  19   3.545   5.157  -0.965
  135   1HD1  LEU  19          1HD1      LEU  19   1.336   5.738  -0.297
  136   2HD1  LEU  19          2HD1      LEU  19   0.857   4.049  -0.141
  137   3HD1  LEU  19          3HD1      LEU  19   1.133   4.744  -1.738
  138   1HD2  LEU  19          1HD2      LEU  19   2.400   4.039   1.414
  139   2HD2  LEU  19          2HD2      LEU  19   4.032   4.654   1.176
  140   3HD2  LEU  19          3HD2      LEU  19   3.666   2.963   0.834
  141    H    ALA  20           H        ALA  20   5.052   0.998  -1.605
  142    HA   ALA  20           HA       ALA  20   4.802  -0.222  -4.304
  143   1HB   ALA  20          1HB       ALA  20   7.108  -1.296  -3.765
  144   2HB   ALA  20          2HB       ALA  20   7.279   0.002  -2.584
  145   3HB   ALA  20          3HB       ALA  20   7.101   0.386  -4.296
  146    H    CYS  21           H        CYS  21   3.192  -1.662  -3.658
  147    HA   CYS  21           HA       CYS  21   2.787  -2.833  -1.162
  148   1HB   CYS  21          2HB       CYS  21   1.331  -2.844  -3.221
  149   2HB   CYS  21          1HB       CYS  21   2.359  -4.119  -3.874
  150    H    ARG  22           H        ARG  22   4.520  -3.755  -0.060
  151    HA   ARG  22           HA       ARG  22   6.497  -5.438  -1.423
  152   1HB   ARG  22          2HB       ARG  22   6.100  -4.062   1.105
  153   2HB   ARG  22          1HB       ARG  22   6.710  -5.697   1.366
  154   1HG   ARG  22          2HG       ARG  22   8.723  -4.652   1.011
  155   2HG   ARG  22          1HG       ARG  22   8.309  -4.983  -0.671
  156   1HD   ARG  22          2HD       ARG  22   7.828  -2.772  -1.128
  157   2HD   ARG  22          1HD       ARG  22   7.253  -2.452   0.520
  158    HE   ARG  22           HE       ARG  22   9.644  -2.510   1.250
  159   1HH1  ARG  22          1HH1      ARG  22   9.221  -0.241  -0.748
  160   2HH1  ARG  22          2HH1      ARG  22  10.606  -0.437  -1.771
  161   1HH2  ARG  22          1HH2      ARG  22  11.313  -3.640  -0.650
  162   2HH2  ARG  22          2HH2      ARG  22  11.790  -2.359  -1.715
  163    H    SER  23           H        SER  23   6.362  -7.630  -1.628
  164    HA   SER  23           HA       SER  23   4.041  -9.115  -0.939
  165   1HB   SER  23          2HB       SER  23   5.187 -10.117  -2.649
  166   2HB   SER  23          1HB       SER  23   6.744  -9.543  -2.060
  167    HG   SER  23           HG       SER  23   6.573 -11.791  -1.823
  168    H    ASP  24           H        ASP  24   6.874  -8.290   0.885
  169    HA   ASP  24           HA       ASP  24   6.724 -10.516   2.773
  170   1HB   ASP  24          2HB       ASP  24   8.211  -7.926   2.458
  171   2HB   ASP  24          1HB       ASP  24   8.252  -8.745   4.019
  172    H    GLY  25           H        GLY  25   4.272 -10.063   3.079
  173   1HA   GLY  25          2HA       GLY  25   3.086  -9.605   5.235
  174   2HA   GLY  25          1HA       GLY  25   3.935  -8.058   5.275
  175    H    LYS  26           H        LYS  26   3.331  -8.366   2.120
  176    HA   LYS  26           HA       LYS  26   1.733  -7.394   0.675
  177   1HB   LYS  26          2HB       LYS  26  -0.113  -8.283   2.915
  178   2HB   LYS  26          1HB       LYS  26  -0.571  -8.000   1.235
  179   1HG   LYS  26          2HG       LYS  26   1.309 -10.140   2.273
  180   2HG   LYS  26          1HG       LYS  26  -0.277 -10.386   1.541
  181   1HD   LYS  26          2HD       LYS  26   0.881  -8.972  -0.434
  182   2HD   LYS  26          1HD       LYS  26   2.322  -9.727   0.248
  183   1HE   LYS  26          2HE       LYS  26   1.754 -11.512  -1.064
  184   2HE   LYS  26          1HE       LYS  26   0.526 -11.835   0.176
  185   1HZ   LYS  26          1HZ       LYS  26   0.207 -10.732  -2.472
  186   2HZ   LYS  26          2HZ       LYS  26  -0.589  -9.840  -1.265
  187   3HZ   LYS  26          3HZ       LYS  26  -0.935 -11.491  -1.473
  188    H    TYR  27           H        TYR  27   2.971  -5.374   1.812
  189    HA   TYR  27           HA       TYR  27   0.778  -3.550   2.730
  190   1HB   TYR  27          2HB       TYR  27   2.207  -2.737   4.512
  191   2HB   TYR  27          1HB       TYR  27   2.152  -4.496   4.626
  192    HD1  TYR  27           1HD      TYR  27   4.036  -5.829   3.465
  193    HD2  TYR  27           2HD      TYR  27   4.266  -1.619   4.289
  194    HE1  TYR  27           1HE      TYR  27   6.504  -5.921   3.251
  195    HE2  TYR  27           2HE      TYR  27   6.734  -1.712   4.073
  196    HH   TYR  27           HH       TYR  27   8.529  -3.273   4.174
  197    H    CYS  28           H        CYS  28   0.870  -1.543   1.737
  198    HA   CYS  28           HA       CYS  28   2.852  -1.132  -0.378
  199   1HB   CYS  28          2HB       CYS  28   0.470   0.360   0.722
  200   2HB   CYS  28          1HB       CYS  28   1.480   1.050  -0.547
  201    H    ALA  29           H        ALA  29   4.765  -0.104  -0.098
  202    HA   ALA  29           HA       ALA  29   4.971   2.128   1.863
  203   1HB   ALA  29          1HB       ALA  29   7.167   0.986   2.633
  204   2HB   ALA  29          2HB       ALA  29   6.515  -0.472   1.885
  205   3HB   ALA  29          3HB       ALA  29   5.652   0.297   3.217
  206    H    TRP  30           H        TRP  30   6.041   3.782   0.843
  207    HA   TRP  30           HA       TRP  30   7.291   3.331  -1.754
  208   1HB   TRP  30          2HB       TRP  30   7.598   5.805  -1.627
  209   2HB   TRP  30          1HB       TRP  30   5.943   5.317  -1.261
  210    HD1  TRP  30           HD       TRP  30   9.154   5.624   0.877
  211    HE1  TRP  30           1HE      TRP  30   8.561   6.869   3.033
  212    HE3  TRP  30           3HE      TRP  30   4.204   6.558   0.036
  213    HZ2  TRP  30           2HZ      TRP  30   6.306   8.131   4.253
  214    HZ3  TRP  30           3HZ      TRP  30   2.862   7.793   1.711
  215    HH2  TRP  30           HH       TRP  30   3.905   8.581   3.817
  216    H    ASP  31           H        ASP  31   9.546   4.073  -2.204
  217    HA   ASP  31           HA       ASP  31  11.366   3.190  -0.026
  218   1HB   ASP  31          2HB       ASP  31  11.529   2.157  -2.240
  219   2HB   ASP  31          1HB       ASP  31  11.737   3.742  -2.988
  220    H    GLY  32           H        GLY  32  12.561   4.665   1.107
  221   1HA   GLY  32          2HA       GLY  32  12.252   7.465   0.863
  222   2HA   GLY  32          1HA       GLY  32  13.598   6.686   1.698
  223    H    THR  33           H        THR  33  12.913   8.761  -0.777
  224    HA   THR  33           HA       THR  33  15.536   8.174  -2.092
  225    HB   THR  33           HB       THR  33  13.216   9.156  -3.705
  226    HG1  THR  33           1HG      THR  33  13.607   6.441  -2.994
  227   1HG2  THR  33          1HG2      THR  33  14.548   8.540  -5.418
  228   2HG2  THR  33          2HG2      THR  33  14.853   6.956  -4.704
  229   3HG2  THR  33          3HG2      THR  33  15.825   8.344  -4.216
  230    H    PHE  34           H        PHE  34  15.309  10.313  -3.964
  231    HA   PHE  34           HA       PHE  34  15.774  12.610  -2.155
  232   1HB   PHE  34          2HB       PHE  34  16.965  11.605  -4.429
  233   2HB   PHE  34          1HB       PHE  34  16.014  12.943  -5.074
  234    HD1  PHE  34           1HD      PHE  34  17.877  12.414  -1.854
  235    HD2  PHE  34           2HD      PHE  34  17.338  14.834  -5.362
  236    HE1  PHE  34           1HE      PHE  34  19.552  14.030  -0.997
  237    HE2  PHE  34           2HE      PHE  34  19.012  16.450  -4.506
  238    HZ   PHE  34           HZ       PHE  34  20.120  16.049  -2.324
  Start of MODEL   18
    1   1H    THR   1          1HT       THR   1  -8.090   7.624  -5.217
    2   2H    THR   1          2HT       THR   1  -7.180   6.918  -6.466
    3   3H    THR   1          3HT       THR   1  -6.525   7.051  -4.905
    4    HA   THR   1           HA       THR   1  -8.676   5.637  -4.304
    5    HB   THR   1           HB       THR   1  -7.938   4.502  -6.974
    6    HG1  THR   1           1HG      THR   1  -9.240   5.902  -8.024
    7   1HG2  THR   1          1HG2      THR   1  -9.958   3.417  -6.783
    8   2HG2  THR   1          2HG2      THR   1 -10.717   4.757  -5.922
    9   3HG2  THR   1          3HG2      THR   1  -9.621   3.669  -5.070
   10    H    CYS   2           H        CYS   2  -6.173   5.837  -3.299
   11    HA   CYS   2           HA       CYS   2  -5.133   3.058  -3.542
   12   1HB   CYS   2          2HB       CYS   2  -2.815   4.083  -3.678
   13   2HB   CYS   2          1HB       CYS   2  -3.808   4.297  -5.115
   14    H    ARG   3           H        ARG   3  -3.140   2.995  -1.851
   15    HA   ARG   3           HA       ARG   3  -4.037   4.411   0.632
   16   1HB   ARG   3          2HB       ARG   3  -4.223   1.696  -0.020
   17   2HB   ARG   3          1HB       ARG   3  -2.821   1.799   1.047
   18   1HG   ARG   3          2HG       ARG   3  -4.382   1.730   2.701
   19   2HG   ARG   3          1HG       ARG   3  -4.557   3.448   2.338
   20   1HD   ARG   3          2HD       ARG   3  -6.553   3.142   1.184
   21   2HD   ARG   3          1HD       ARG   3  -6.150   1.474   0.728
   22    HE   ARG   3           HE       ARG   3  -6.889   0.741   2.873
   23   1HH1  ARG   3          1HH2      ARG   3  -8.652   3.297   2.393
   24   2HH1  ARG   3          2HH2      ARG   3  -8.608   3.976   3.987
   25   1HH2  ARG   3          1HH1      ARG   3  -5.976   1.985   5.049
   26   2HH2  ARG   3          2HH1      ARG   3  -7.093   3.233   5.490
   27    H    TYR   4           H        TYR   4  -2.376   5.240   1.889
   28    HA   TYR   4           HA       TYR   4   0.243   5.567   0.720
   29   1HB   TYR   4          2HB       TYR   4  -1.103   6.175   3.350
   30   2HB   TYR   4          1HB       TYR   4   0.616   6.496   3.136
   31    HD1  TYR   4           1HD      TYR   4  -1.201   6.700   0.055
   32    HD2  TYR   4           2HD      TYR   4  -0.188   8.927   3.588
   33    HE1  TYR   4           1HE      TYR   4  -1.740   8.814  -1.123
   34    HE2  TYR   4           2HE      TYR   4  -0.727  11.040   2.408
   35    HH   TYR   4           HH       TYR   4  -1.967  11.014  -0.933
   36    H    LEU   5           H        LEU   5   1.965   5.247   2.864
   37    HA   LEU   5           HA       LEU   5   3.055   2.740   2.657
   38   1HB   LEU   5          2HB       LEU   5   2.923   4.804   4.811
   39   2HB   LEU   5          1HB       LEU   5   3.699   3.265   5.185
   40    HG   LEU   5           HG       LEU   5   4.613   4.102   2.615
   41   1HD1  LEU   5          1HD1      LEU   5   4.640   6.349   2.776
   42   2HD1  LEU   5          2HD1      LEU   5   5.785   6.174   4.106
   43   3HD1  LEU   5          3HD1      LEU   5   4.057   6.288   4.439
   44   1HD2  LEU   5          1HD2      LEU   5   6.581   3.404   3.521
   45   2HD2  LEU   5          2HD2      LEU   5   5.598   2.902   4.896
   46   3HD2  LEU   5          3HD2      LEU   5   6.413   4.466   4.919
   47    H    PHE   6           H        PHE   6   3.164   0.960   4.249
   48    HA   PHE   6           HA       PHE   6   1.992  -0.930   5.086
   49   1HB   PHE   6          2HB       PHE   6   1.145   1.296   6.961
   50   2HB   PHE   6          1HB       PHE   6   1.421  -0.400   7.375
   51    HD1  PHE   6           1HD      PHE   6   3.830  -1.150   6.036
   52    HD2  PHE   6           2HD      PHE   6   2.868   2.605   7.885
   53    HE1  PHE   6           1HE      PHE   6   6.244  -0.676   6.324
   54    HE2  PHE   6           2HE      PHE   6   5.286   3.078   8.179
   55    HZ   PHE   6           HZ       PHE   6   6.973   1.437   7.388
   56    H    GLY   7           H        GLY   7   0.433   0.335   2.994
   57   1HA   GLY   7          2HA       GLY   7  -2.338   0.370   4.037
   58   2HA   GLY   7          1HA       GLY   7  -1.856   0.709   2.373
   59    H    GLY   8           H        GLY   8  -3.426  -1.545   4.220
   60   1HA   GLY   8          2HA       GLY   8  -2.562  -4.086   3.573
   61   2HA   GLY   8          1HA       GLY   8  -4.275  -3.660   3.566
   62    H    CYS   9           H        CYS   9  -1.575  -4.485   1.607
   63    HA   CYS   9           HA       CYS   9  -3.209  -3.961  -0.856
   64   1HB   CYS   9          2HB       CYS   9  -1.170  -3.280  -1.900
   65   2HB   CYS   9          1HB       CYS   9  -1.266  -2.470  -0.335
   66    H    LYS  10           H        LYS  10  -2.857  -5.351  -2.604
   67    HA   LYS  10           HA       LYS  10  -1.777  -8.061  -1.909
   68   1HB   LYS  10          2HB       LYS  10  -4.142  -8.183  -2.223
   69   2HB   LYS  10          1HB       LYS  10  -4.095  -7.059  -3.581
   70   1HG   LYS  10          2HG       LYS  10  -2.698  -8.802  -4.811
   71   2HG   LYS  10          1HG       LYS  10  -3.123  -9.923  -3.519
   72   1HD   LYS  10          2HD       LYS  10  -5.372  -9.966  -4.112
   73   2HD   LYS  10          1HD       LYS  10  -5.304  -8.381  -4.882
   74   1HE   LYS  10          2HE       LYS  10  -3.486 -10.147  -6.248
   75   2HE   LYS  10          1HE       LYS  10  -5.088 -10.906  -6.160
   76   1HZ   LYS  10          1HZ       LYS  10  -5.002  -8.043  -6.711
   77   2HZ   LYS  10          2HZ       LYS  10  -6.061  -9.230  -7.304
   78   3HZ   LYS  10          3HZ       LYS  10  -4.506  -9.068  -7.967
   79    H    THR  11           H        THR  11  -1.437  -5.254  -3.799
   80    HA   THR  11           HA       THR  11   0.668  -6.526  -5.446
   81    HB   THR  11           HB       THR  11  -0.455  -5.618  -7.533
   82    HG1  THR  11           1HG      THR  11  -2.549  -5.284  -5.654
   83   1HG2  THR  11          1HG2      THR  11  -0.626  -8.028  -6.557
   84   2HG2  THR  11          2HG2      THR  11  -1.748  -7.553  -7.832
   85   3HG2  THR  11          3HG2      THR  11  -2.280  -7.569  -6.151
   86    H    THR  12           H        THR  12   1.897  -4.815  -6.676
   87    HA   THR  12           HA       THR  12   2.415  -2.506  -5.032
   88    HB   THR  12           HB       THR  12   3.203  -3.119  -7.897
   89    HG1  THR  12           1HG      THR  12   4.875  -4.223  -7.016
   90   1HG2  THR  12          1HG2      THR  12   4.158  -1.173  -5.813
   91   2HG2  THR  12          2HG2      THR  12   3.841  -0.896  -7.526
   92   3HG2  THR  12          3HG2      THR  12   5.280  -1.786  -7.028
   93    H    ALA  13           H        ALA  13   0.679  -2.937  -8.118
   94    HA   ALA  13           HA       ALA  13   0.223  -0.157  -8.646
   95   1HB   ALA  13          1HB       ALA  13  -1.641  -1.150 -10.069
   96   2HB   ALA  13          2HB       ALA  13  -1.218  -2.718  -9.382
   97   3HB   ALA  13          3HB       ALA  13  -0.040  -1.834 -10.353
   98    H    ASP  14           H        ASP  14  -0.979  -2.109  -6.142
   99    HA   ASP  14           HA       ASP  14  -3.642  -0.911  -5.950
  100   1HB   ASP  14          2HB       ASP  14  -2.167  -3.101  -4.887
  101   2HB   ASP  14          1HB       ASP  14  -2.713  -2.128  -3.521
  102    H    CYS  15           H        CYS  15  -0.482   0.113  -5.060
  103    HA   CYS  15           HA       CYS  15  -1.460   1.749  -2.779
  104   1HB   CYS  15          2HB       CYS  15   1.308   2.000  -3.875
  105   2HB   CYS  15          1HB       CYS  15   0.769   1.956  -2.203
  106    H    CYS  16           H        CYS  16  -0.229   4.077  -2.916
  107    HA   CYS  16           HA       CYS  16  -1.541   5.504  -5.096
  108   1HB   CYS  16          2HB       CYS  16   0.287   6.237  -2.796
  109   2HB   CYS  16          1HB       CYS  16  -0.317   7.442  -3.931
  110    H    LYS  17           H        LYS  17   0.273   7.473  -5.781
  111    HA   LYS  17           HA       LYS  17   2.000   6.024  -7.666
  112   1HB   LYS  17          2HB       LYS  17   0.641   8.523  -7.460
  113   2HB   LYS  17          1HB       LYS  17   2.356   8.871  -7.692
  114   1HG   LYS  17          2HG       LYS  17   2.336   7.222  -9.610
  115   2HG   LYS  17          1HG       LYS  17   0.581   7.154  -9.446
  116   1HD   LYS  17          2HD       LYS  17   0.554   9.673  -9.701
  117   2HD   LYS  17          1HD       LYS  17   2.266   9.580 -10.115
  118   1HE   LYS  17          2HE       LYS  17   1.737   8.079 -12.009
  119   2HE   LYS  17          1HE       LYS  17   0.013   8.180 -11.601
  120   1HZ   LYS  17          1HZ       LYS  17   0.018  10.508 -11.949
  121   2HZ   LYS  17          2HZ       LYS  17   0.799   9.834 -13.300
  122   3HZ   LYS  17          3HZ       LYS  17   1.709  10.569 -12.068
  123    H    HIS  18           H        HIS  18   2.816   5.686  -4.970
  124    HA   HIS  18           HA       HIS  18   5.613   6.585  -5.157
  125   1HB   HIS  18          2HB       HIS  18   3.977   7.389  -2.737
  126   2HB   HIS  18          1HB       HIS  18   5.607   7.910  -3.154
  127    HD1  HIS  18           1HD      HIS  18   2.000   8.383  -4.173
  128    HD2  HIS  18           2HD      HIS  18   5.727  10.079  -4.952
  129    HE1  HIS  18           1HE      HIS  18   1.561  10.504  -5.485
  130    H    LEU  19           H        LEU  19   3.051   4.960  -3.357
  131    HA   LEU  19           HA       LEU  19   4.830   3.517  -1.573
  132   1HB   LEU  19          2HB       LEU  19   1.917   3.388  -2.351
  133   2HB   LEU  19          1HB       LEU  19   2.618   2.307  -1.148
  134    HG   LEU  19           HG       LEU  19   1.676   4.206   0.012
  135   1HD1  LEU  19          1HD1      LEU  19   4.631   4.776  -0.121
  136   2HD1  LEU  19          2HD1      LEU  19   4.009   3.305   0.623
  137   3HD1  LEU  19          3HD1      LEU  19   3.558   4.881   1.274
  138   1HD2  LEU  19          1HD2      LEU  19   1.866   5.673  -2.105
  139   2HD2  LEU  19          2HD2      LEU  19   3.498   6.030  -1.550
  140   3HD2  LEU  19          3HD2      LEU  19   2.112   6.465  -0.549
  141    H    ALA  20           H        ALA  20   5.127   1.197  -1.618
  142    HA   ALA  20           HA       ALA  20   4.704  -0.115  -4.273
  143   1HB   ALA  20          1HB       ALA  20   7.013  -1.043  -3.981
  144   2HB   ALA  20          2HB       ALA  20   7.190  -0.062  -2.527
  145   3HB   ALA  20          3HB       ALA  20   7.006   0.717  -4.098
  146    H    CYS  21           H        CYS  21   3.135  -1.599  -3.611
  147    HA   CYS  21           HA       CYS  21   2.822  -2.821  -1.112
  148   1HB   CYS  21          2HB       CYS  21   1.238  -2.819  -3.032
  149   2HB   CYS  21          1HB       CYS  21   2.289  -3.960  -3.869
  150    H    ARG  22           H        ARG  22   4.382  -3.971  -0.037
  151    HA   ARG  22           HA       ARG  22   6.326  -5.606  -1.585
  152   1HB   ARG  22          2HB       ARG  22   6.118  -4.682   1.297
  153   2HB   ARG  22          1HB       ARG  22   7.437  -5.681   0.684
  154   1HG   ARG  22          2HG       ARG  22   7.390  -3.681  -1.179
  155   2HG   ARG  22          1HG       ARG  22   6.912  -2.802   0.274
  156   1HD   ARG  22          2HD       ARG  22   8.954  -4.236   1.307
  157   2HD   ARG  22          1HD       ARG  22   9.510  -4.105  -0.375
  158    HE   ARG  22           HE       ARG  22   8.558  -1.551   0.358
  159   1HH1  ARG  22          1HH1      ARG  22  11.038  -3.802   1.200
  160   2HH1  ARG  22          2HH1      ARG  22  12.130  -2.584   1.767
  161   1HH2  ARG  22          1HH2      ARG  22   9.959   0.042   1.133
  162   2HH2  ARG  22          2HH2      ARG  22  11.520  -0.411   1.730
  163    H    SER  23           H        SER  23   6.127  -7.809  -1.648
  164    HA   SER  23           HA       SER  23   3.874  -9.207  -0.681
  165   1HB   SER  23          2HB       SER  23   4.919 -10.358  -2.359
  166   2HB   SER  23          1HB       SER  23   6.514  -9.775  -1.891
  167    HG   SER  23           HG       SER  23   6.611 -11.324  -0.325
  168    H    ASP  24           H        ASP  24   6.690  -8.170   1.003
  169    HA   ASP  24           HA       ASP  24   6.686 -10.286   3.026
  170   1HB   ASP  24          2HB       ASP  24   8.084  -7.697   2.466
  171   2HB   ASP  24          1HB       ASP  24   8.140  -8.320   4.116
  172    H    GLY  25           H        GLY  25   4.246  -9.962   3.380
  173   1HA   GLY  25          2HA       GLY  25   2.975  -9.438   5.427
  174   2HA   GLY  25          1HA       GLY  25   3.847  -7.904   5.505
  175    H    LYS  26           H        LYS  26   3.080  -8.629   2.313
  176    HA   LYS  26           HA       LYS  26   1.635  -7.480   0.822
  177   1HB   LYS  26          2HB       LYS  26  -0.314  -8.221   3.027
  178   2HB   LYS  26          1HB       LYS  26  -0.678  -8.040   1.313
  179   1HG   LYS  26          2HG       LYS  26   0.255 -10.068   0.758
  180   2HG   LYS  26          1HG       LYS  26   1.463  -9.982   2.040
  181   1HD   LYS  26          2HD       LYS  26  -0.462 -10.293   3.689
  182   2HD   LYS  26          1HD       LYS  26  -1.460 -10.711   2.296
  183   1HE   LYS  26          2HE       LYS  26  -0.084 -12.615   1.768
  184   2HE   LYS  26          1HE       LYS  26   1.161 -12.109   2.929
  185   1HZ   LYS  26          1HZ       LYS  26  -0.621 -13.828   3.656
  186   2HZ   LYS  26          2HZ       LYS  26  -1.619 -12.464   3.829
  187   3HZ   LYS  26          3HZ       LYS  26  -0.179 -12.585   4.722
  188    H    TYR  27           H        TYR  27   2.884  -5.443   1.860
  189    HA   TYR  27           HA       TYR  27   0.725  -3.570   2.747
  190   1HB   TYR  27          2HB       TYR  27   2.127  -2.755   4.536
  191   2HB   TYR  27          1HB       TYR  27   2.084  -4.513   4.666
  192    HD1  TYR  27           1HD      TYR  27   4.172  -1.610   4.234
  193    HD2  TYR  27           2HD      TYR  27   3.996  -5.859   3.626
  194    HE1  TYR  27           1HE      TYR  27   6.643  -1.684   4.044
  195    HE2  TYR  27           2HE      TYR  27   6.468  -5.932   3.436
  196    HH   TYR  27           HH       TYR  27   8.324  -4.579   3.039
  197    H    CYS  28           H        CYS  28   0.879  -1.557   1.788
  198    HA   CYS  28           HA       CYS  28   2.855  -1.182  -0.347
  199   1HB   CYS  28          2HB       CYS  28   0.471   0.299   0.753
  200   2HB   CYS  28          1HB       CYS  28   1.492   1.024  -0.483
  201    H    ALA  29           H        ALA  29   4.651   0.090  -0.243
  202    HA   ALA  29           HA       ALA  29   4.928   2.208   1.810
  203   1HB   ALA  29          1HB       ALA  29   6.096   0.903   3.241
  204   2HB   ALA  29          2HB       ALA  29   7.288   0.603   1.977
  205   3HB   ALA  29          3HB       ALA  29   5.903  -0.473   2.157
  206    H    TRP  30           H        TRP  30   6.022   3.894   0.789
  207    HA   TRP  30           HA       TRP  30   7.148   3.425  -1.861
  208   1HB   TRP  30          2HB       TRP  30   7.514   5.888  -1.782
  209   2HB   TRP  30          1HB       TRP  30   5.866   5.435  -1.366
  210    HD1  TRP  30           HD       TRP  30   9.013   5.490   0.882
  211    HE1  TRP  30           1HE      TRP  30   8.514   6.952   2.920
  212    HE3  TRP  30           3HE      TRP  30   4.342   7.134  -0.340
  213    HZ2  TRP  30           2HZ      TRP  30   6.424   8.635   3.912
  214    HZ3  TRP  30           3HZ      TRP  30   3.121   8.674   1.167
  215    HH2  TRP  30           HH       TRP  30   4.156   9.427   3.290
  216    H    ASP  31           H        ASP  31   9.377   4.496  -2.338
  217    HA   ASP  31           HA       ASP  31  11.294   3.579  -0.223
  218   1HB   ASP  31          2HB       ASP  31  12.705   2.878  -2.040
  219   2HB   ASP  31          1HB       ASP  31  11.078   2.319  -2.427
  220    H    GLY  32           H        GLY  32  10.109   6.334  -0.595
  221   1HA   GLY  32          2HA       GLY  32  11.999   8.069   0.146
  222   2HA   GLY  32          1HA       GLY  32  12.450   7.882  -1.549
  223    H    THR  33           H        THR  33  11.812  10.379  -0.931
  224    HA   THR  33           HA       THR  33   9.226  10.799  -2.318
  225    HB   THR  33           HB       THR  33   9.496  12.475   0.073
  226    HG1  THR  33           1HG      THR  33  10.393  10.604   0.935
  227   1HG2  THR  33          1HG2      THR  33   7.305  12.548  -0.422
  228   2HG2  THR  33          2HG2      THR  33   7.172  10.884   0.147
  229   3HG2  THR  33          3HG2      THR  33   7.477  11.210  -1.559
  230    H    PHE  34           H        PHE  34   8.959  13.450  -2.235
  231    HA   PHE  34           HA       PHE  34  11.635  14.536  -3.059
  232   1HB   PHE  34          2HB       PHE  34   8.838  14.769  -4.153
  233   2HB   PHE  34          1HB       PHE  34  10.027  16.024  -4.501
  234    HD1  PHE  34           1HD      PHE  34   8.615  13.263  -5.913
  235    HD2  PHE  34           2HD      PHE  34  12.514  14.780  -4.943
  236    HE1  PHE  34           1HE      PHE  34   9.609  11.836  -7.680
  237    HE2  PHE  34           2HE      PHE  34  13.509  13.352  -6.709
  238    HZ   PHE  34           HZ       PHE  34  12.056  11.880  -8.078
  Start of MODEL   19
    1   1H    THR   1          1HT       THR   1  -6.430   7.343  -5.515
    2   2H    THR   1          2HT       THR   1  -7.412   7.932  -4.259
    3   3H    THR   1          3HT       THR   1  -7.962   7.981  -5.867
    4    HA   THR   1           HA       THR   1  -8.711   6.080  -4.190
    5    HB   THR   1           HB       THR   1  -8.061   5.352  -7.027
    6    HG1  THR   1           1HG      THR   1  -8.627   7.305  -7.565
    7   1HG2  THR   1          1HG2      THR   1  -9.543   3.876  -5.856
    8   2HG2  THR   1          2HG2      THR   1 -10.546   4.831  -6.946
    9   3HG2  THR   1          3HG2      THR   1 -10.490   5.225  -5.229
   10    H    CYS   2           H        CYS   2  -6.011   6.182  -3.428
   11    HA   CYS   2           HA       CYS   2  -5.124   3.393  -4.065
   12   1HB   CYS   2          2HB       CYS   2  -2.780   4.403  -4.004
   13   2HB   CYS   2          1HB       CYS   2  -3.767   4.858  -5.394
   14    H    ARG   3           H        ARG   3  -3.020   3.136  -2.419
   15    HA   ARG   3           HA       ARG   3  -4.077   3.864   0.294
   16   1HB   ARG   3          2HB       ARG   3  -3.437   1.356  -0.999
   17   2HB   ARG   3          1HB       ARG   3  -2.429   1.571   0.434
   18   1HG   ARG   3          2HG       ARG   3  -4.583   0.452   0.972
   19   2HG   ARG   3          1HG       ARG   3  -4.414   2.000   1.801
   20   1HD   ARG   3          2HD       ARG   3  -5.608   2.528  -0.741
   21   2HD   ARG   3          1HD       ARG   3  -6.501   1.192   0.013
   22    HE   ARG   3           HE       ARG   3  -5.986   3.820   1.353
   23   1HH1  ARG   3          1HH1      ARG   3  -8.469   2.031   0.147
   24   2HH1  ARG   3          2HH1      ARG   3  -9.378   1.915   1.617
   25   1HH2  ARG   3          1HH2      ARG   3  -6.829   3.178   3.601
   26   2HH2  ARG   3          2HH2      ARG   3  -8.449   2.567   3.573
   27    H    TYR   4           H        TYR   4  -2.440   4.301   1.910
   28    HA   TYR   4           HA       TYR   4   0.116   5.300   0.740
   29   1HB   TYR   4          2HB       TYR   4  -1.561   5.852   3.181
   30   2HB   TYR   4          1HB       TYR   4   0.124   6.364   3.138
   31    HD1  TYR   4           1HD      TYR   4   0.745   7.377   0.631
   32    HD2  TYR   4           2HD      TYR   4  -3.068   7.525   2.604
   33    HE1  TYR   4           1HE      TYR   4   0.117   9.353  -0.730
   34    HE2  TYR   4           2HE      TYR   4  -3.695   9.501   1.243
   35    HH   TYR   4           HH       TYR   4  -2.954  11.057  -0.188
   36    H    LEU   5           H        LEU   5   1.607   5.303   3.105
   37    HA   LEU   5           HA       LEU   5   3.108   3.046   3.169
   38   1HB   LEU   5          2HB       LEU   5   2.231   5.019   5.211
   39   2HB   LEU   5          1HB       LEU   5   3.084   3.596   5.803
   40    HG   LEU   5           HG       LEU   5   4.649   5.443   5.296
   41   1HD1  LEU   5          1HD1      LEU   5   5.582   3.834   3.148
   42   2HD1  LEU   5          2HD1      LEU   5   4.748   2.760   4.272
   43   3HD1  LEU   5          3HD1      LEU   5   6.080   3.769   4.838
   44   1HD2  LEU   5          1HD2      LEU   5   4.972   5.893   2.788
   45   2HD2  LEU   5          2HD2      LEU   5   3.569   6.636   3.548
   46   3HD2  LEU   5          3HD2      LEU   5   3.379   5.183   2.568
   47    H    PHE   6           H        PHE   6   3.163   1.074   4.204
   48    HA   PHE   6           HA       PHE   6   2.124  -1.006   4.663
   49   1HB   PHE   6          2HB       PHE   6   1.440   0.904   6.907
   50   2HB   PHE   6          1HB       PHE   6   1.315  -0.854   7.045
   51    HD1  PHE   6           1HD      PHE   6   3.279  -2.251   7.174
   52    HD2  PHE   6           2HD      PHE   6   3.648   1.976   6.513
   53    HE1  PHE   6           1HE      PHE   6   5.721  -2.400   7.577
   54    HE2  PHE   6           2HE      PHE   6   6.089   1.828   6.918
   55    HZ   PHE   6           HZ       PHE   6   7.127  -0.361   7.442
   56    H    GLY   7           H        GLY   7   0.409   0.692   2.950
   57   1HA   GLY   7          2HA       GLY   7  -2.310   0.537   3.945
   58   2HA   GLY   7          1HA       GLY   7  -1.846   0.806   2.262
   59    H    GLY   8           H        GLY   8  -3.467  -1.326   4.168
   60   1HA   GLY   8          2HA       GLY   8  -2.630  -3.910   3.638
   61   2HA   GLY   8          1HA       GLY   8  -4.335  -3.457   3.628
   62    H    CYS   9           H        CYS   9  -1.586  -4.226   1.652
   63    HA   CYS   9           HA       CYS   9  -3.309  -3.996  -0.794
   64   1HB   CYS   9          2HB       CYS   9  -1.359  -3.184  -1.927
   65   2HB   CYS   9          1HB       CYS   9  -1.528  -2.278  -0.421
   66    H    LYS  10           H        LYS  10  -2.811  -5.453  -2.476
   67    HA   LYS  10           HA       LYS  10  -1.408  -7.961  -1.618
   68   1HB   LYS  10          2HB       LYS  10  -3.952  -7.965  -1.892
   69   2HB   LYS  10          1HB       LYS  10  -3.681  -7.648  -3.606
   70   1HG   LYS  10          2HG       LYS  10  -1.963  -9.787  -2.926
   71   2HG   LYS  10          1HG       LYS  10  -3.524 -10.158  -2.190
   72   1HD   LYS  10          2HD       LYS  10  -3.102  -9.381  -5.092
   73   2HD   LYS  10          1HD       LYS  10  -3.393 -11.020  -4.508
   74   1HE   LYS  10          2HE       LYS  10  -5.452  -9.504  -3.355
   75   2HE   LYS  10          1HE       LYS  10  -5.325  -8.905  -5.022
   76   1HZ   LYS  10          1HZ       LYS  10  -6.608 -10.785  -5.298
   77   2HZ   LYS  10          2HZ       LYS  10  -5.811 -11.651  -4.072
   78   3HZ   LYS  10          3HZ       LYS  10  -5.053 -11.404  -5.573
   79    H    THR  11           H        THR  11  -1.353  -5.272  -3.637
   80    HA   THR  11           HA       THR  11   0.686  -6.526  -5.397
   81    HB   THR  11           HB       THR  11  -0.542  -5.786  -7.419
   82    HG1  THR  11           1HG      THR  11  -2.712  -5.263  -5.693
   83   1HG2  THR  11          1HG2      THR  11  -2.465  -7.382  -5.735
   84   2HG2  THR  11          2HG2      THR  11  -0.920  -8.062  -6.244
   85   3HG2  THR  11          3HG2      THR  11  -2.101  -7.554  -7.452
   86    H    THR  12           H        THR  12   1.867  -4.842  -6.645
   87    HA   THR  12           HA       THR  12   2.438  -2.487  -5.094
   88    HB   THR  12           HB       THR  12   3.444  -2.057  -7.629
   89    HG1  THR  12           1HG      THR  12   2.907  -3.835  -8.635
   90   1HG2  THR  12          1HG2      THR  12   4.394  -3.533  -5.203
   91   2HG2  THR  12          2HG2      THR  12   4.980  -2.018  -5.890
   92   3HG2  THR  12          3HG2      THR  12   5.392  -3.552  -6.657
   93    H    ALA  13           H        ALA  13   0.411  -3.066  -7.948
   94    HA   ALA  13           HA       ALA  13  -0.072  -0.273  -8.544
   95   1HB   ALA  13          1HB       ALA  13  -0.713  -1.442 -10.374
   96   2HB   ALA  13          2HB       ALA  13  -2.202  -1.811  -9.506
   97   3HB   ALA  13          3HB       ALA  13  -0.846  -2.936  -9.448
   98    H    ASP  14           H        ASP  14  -0.974  -2.048  -5.873
   99    HA   ASP  14           HA       ASP  14  -3.713  -0.975  -5.625
  100   1HB   ASP  14          2HB       ASP  14  -2.027  -3.059  -4.476
  101   2HB   ASP  14          1HB       ASP  14  -2.899  -2.167  -3.229
  102    H    CYS  15           H        CYS  15  -0.625   0.256  -5.090
  103    HA   CYS  15           HA       CYS  15  -1.489   1.837  -2.699
  104   1HB   CYS  15          2HB       CYS  15   1.261   2.029  -3.847
  105   2HB   CYS  15          1HB       CYS  15   0.753   2.019  -2.166
  106    H    CYS  16           H        CYS  16  -0.281   4.127  -2.854
  107    HA   CYS  16           HA       CYS  16  -1.560   5.597  -5.010
  108   1HB   CYS  16          2HB       CYS  16   0.312   6.236  -2.719
  109   2HB   CYS  16          1HB       CYS  16  -0.235   7.482  -3.843
  110    H    LYS  17           H        LYS  17   0.237   7.495  -5.808
  111    HA   LYS  17           HA       LYS  17   1.963   5.968  -7.637
  112   1HB   LYS  17          2HB       LYS  17   1.485   8.943  -7.264
  113   2HB   LYS  17          1HB       LYS  17   2.283   8.199  -8.651
  114   1HG   LYS  17          2HG       LYS  17   0.232   6.951  -9.181
  115   2HG   LYS  17          1HG       LYS  17  -0.572   7.661  -7.780
  116   1HD   LYS  17          2HD       LYS  17  -0.081   9.938  -8.786
  117   2HD   LYS  17          1HD       LYS  17   0.420   9.095 -10.253
  118   1HE   LYS  17          2HE       LYS  17  -2.274   8.542  -8.997
  119   2HE   LYS  17          1HE       LYS  17  -2.047   9.883 -10.140
  120   1HZ   LYS  17          1HZ       LYS  17  -1.270   8.430 -11.791
  121   2HZ   LYS  17          2HZ       LYS  17  -2.631   7.648 -11.144
  122   3HZ   LYS  17          3HZ       LYS  17  -1.069   7.144 -10.702
  123    H    HIS  18           H        HIS  18   2.803   5.694  -4.979
  124    HA   HIS  18           HA       HIS  18   5.573   6.662  -5.172
  125   1HB   HIS  18          2HB       HIS  18   3.942   7.432  -2.739
  126   2HB   HIS  18          1HB       HIS  18   5.543   8.010  -3.196
  127    HD1  HIS  18           1HD      HIS  18   1.896   8.384  -4.082
  128    HD2  HIS  18           2HD      HIS  18   5.553  10.118  -5.087
  129    HE1  HIS  18           1HE      HIS  18   1.358  10.464  -5.425
  130    H    LEU  19           H        LEU  19   3.055   4.935  -3.391
  131    HA   LEU  19           HA       LEU  19   4.854   3.578  -1.569
  132   1HB   LEU  19          2HB       LEU  19   1.984   3.427  -2.433
  133   2HB   LEU  19          1HB       LEU  19   2.654   2.150  -1.422
  134    HG   LEU  19           HG       LEU  19   1.674   3.801   0.032
  135   1HD1  LEU  19          1HD1      LEU  19   4.390   4.752   0.455
  136   2HD1  LEU  19          2HD1      LEU  19   4.345   3.019   0.136
  137   3HD1  LEU  19          3HD1      LEU  19   3.405   3.693   1.463
  138   1HD2  LEU  19          1HD2      LEU  19   3.419   5.803  -1.432
  139   2HD2  LEU  19          2HD2      LEU  19   2.398   6.163  -0.039
  140   3HD2  LEU  19          3HD2      LEU  19   1.666   5.676  -1.568
  141    H    ALA  20           H        ALA  20   4.900   1.133  -1.545
  142    HA   ALA  20           HA       ALA  20   4.795  -0.141  -4.231
  143   1HB   ALA  20          1HB       ALA  20   7.206  -0.733  -2.626
  144   2HB   ALA  20          2HB       ALA  20   7.109   0.932  -3.202
  145   3HB   ALA  20          3HB       ALA  20   7.064  -0.405  -4.353
  146    H    CYS  21           H        CYS  21   3.133  -1.534  -3.499
  147    HA   CYS  21           HA       CYS  21   2.811  -2.791  -1.044
  148   1HB   CYS  21          2HB       CYS  21   1.352  -2.785  -3.123
  149   2HB   CYS  21          1HB       CYS  21   2.378  -4.073  -3.753
  150    H    ARG  22           H        ARG  22   4.321  -3.966   0.083
  151    HA   ARG  22           HA       ARG  22   6.376  -5.522  -1.391
  152   1HB   ARG  22          2HB       ARG  22   5.965  -4.918   1.557
  153   2HB   ARG  22          1HB       ARG  22   7.402  -5.658   0.853
  154   1HG   ARG  22          2HG       ARG  22   6.855  -3.282  -0.621
  155   2HG   ARG  22          1HG       ARG  22   6.786  -2.874   1.094
  156   1HD   ARG  22          2HD       ARG  22   9.105  -2.677   0.168
  157   2HD   ARG  22          1HD       ARG  22   9.004  -3.909   1.442
  158    HE   ARG  22           HE       ARG  22   8.412  -5.274  -0.920
  159   1HH1  ARG  22          1HH1      ARG  22  11.018  -4.534   1.009
  160   2HH1  ARG  22          2HH1      ARG  22  12.233  -4.821  -0.191
  161   1HH2  ARG  22          1HH2      ARG  22   9.962  -5.136  -2.794
  162   2HH2  ARG  22          2HH2      ARG  22  11.636  -5.162  -2.345
  163    H    SER  23           H        SER  23   6.287  -7.732  -1.522
  164    HA   SER  23           HA       SER  23   3.957  -9.204  -0.833
  165   1HB   SER  23          2HB       SER  23   5.951  -9.531  -2.541
  166   2HB   SER  23          1HB       SER  23   6.637 -10.480  -1.226
  167    HG   SER  23           HG       SER  23   4.036 -10.815  -2.326
  168    H    ASP  24           H        ASP  24   6.842  -8.468   0.997
  169    HA   ASP  24           HA       ASP  24   6.549 -10.690   2.880
  170   1HB   ASP  24          2HB       ASP  24   8.318  -9.368   4.089
  171   2HB   ASP  24          1HB       ASP  24   8.719  -9.686   2.401
  172    H    GLY  25           H        GLY  25   4.088  -9.860   2.980
  173   1HA   GLY  25          2HA       GLY  25   2.935  -9.412   5.209
  174   2HA   GLY  25          1HA       GLY  25   3.878  -7.920   5.246
  175    H    LYS  26           H        LYS  26   3.093  -8.537   2.066
  176    HA   LYS  26           HA       LYS  26   1.670  -7.310   0.611
  177   1HB   LYS  26          2HB       LYS  26   0.114  -8.740   2.711
  178   2HB   LYS  26          1HB       LYS  26  -0.783  -7.598   1.710
  179   1HG   LYS  26          2HG       LYS  26  -0.315  -8.771  -0.270
  180   2HG   LYS  26          1HG       LYS  26   1.065  -9.609   0.441
  181   1HD   LYS  26          2HD       LYS  26  -0.554 -10.779   1.988
  182   2HD   LYS  26          1HD       LYS  26  -1.867 -10.075   1.043
  183   1HE   LYS  26          2HE       LYS  26  -0.412 -11.125  -0.976
  184   2HE   LYS  26          1HE       LYS  26   0.016 -12.264   0.316
  185   1HZ   LYS  26          1HZ       LYS  26  -2.188 -12.574  -1.038
  186   2HZ   LYS  26          2HZ       LYS  26  -2.780 -11.416   0.053
  187   3HZ   LYS  26          3HZ       LYS  26  -2.149 -12.884   0.629
  188    H    TYR  27           H        TYR  27   2.936  -5.356   1.805
  189    HA   TYR  27           HA       TYR  27   0.791  -3.494   2.752
  190   1HB   TYR  27          2HB       TYR  27   2.207  -2.807   4.583
  191   2HB   TYR  27          1HB       TYR  27   2.132  -4.563   4.610
  192    HD1  TYR  27           1HD      TYR  27   4.065  -5.908   4.227
  193    HD2  TYR  27           2HD      TYR  27   4.230  -1.657   3.631
  194    HE1  TYR  27           1HE      TYR  27   6.536  -6.029   4.057
  195    HE2  TYR  27           2HE      TYR  27   6.701  -1.779   3.458
  196    HH   TYR  27           HH       TYR  27   8.509  -3.117   3.880
  197    H    CYS  28           H        CYS  28   0.892  -1.526   1.739
  198    HA   CYS  28           HA       CYS  28   2.870  -1.061  -0.351
  199   1HB   CYS  28          2HB       CYS  28   0.524   0.427   0.829
  200   2HB   CYS  28          1HB       CYS  28   1.504   1.125  -0.455
  201    H    ALA  29           H        ALA  29   4.786  -0.034  -0.109
  202    HA   ALA  29           HA       ALA  29   5.082   2.144   1.911
  203   1HB   ALA  29          1HB       ALA  29   7.445   0.764   2.177
  204   2HB   ALA  29          2HB       ALA  29   6.300  -0.556   1.934
  205   3HB   ALA  29          3HB       ALA  29   6.068   0.579   3.264
  206    H    TRP  30           H        TRP  30   6.062   3.852   0.837
  207    HA   TRP  30           HA       TRP  30   7.183   3.422  -1.825
  208   1HB   TRP  30          2HB       TRP  30   7.435   5.896  -1.759
  209   2HB   TRP  30          1HB       TRP  30   5.815   5.378  -1.308
  210    HD1  TRP  30           HD       TRP  30   9.021   5.623   0.848
  211    HE1  TRP  30           1HE      TRP  30   8.492   7.050   2.901
  212    HE3  TRP  30           3HE      TRP  30   4.213   6.961  -0.220
  213    HZ2  TRP  30           2HZ      TRP  30   6.330   8.595   3.964
  214    HZ3  TRP  30           3HZ      TRP  30   2.946   8.422   1.325
  215    HH2  TRP  30           HH       TRP  30   3.998   9.241   3.417
  216    H    ASP  31           H        ASP  31   9.368   4.449  -2.363
  217    HA   ASP  31           HA       ASP  31  11.354   3.579  -0.304
  218   1HB   ASP  31          2HB       ASP  31  11.019   3.347  -3.177
  219   2HB   ASP  31          1HB       ASP  31  12.581   4.070  -2.794
  220    H    GLY  32           H        GLY  32  12.377   5.211   0.784
  221   1HA   GLY  32          2HA       GLY  32  12.042   7.980   0.180
  222   2HA   GLY  32          1HA       GLY  32  13.262   7.328   1.275
  223    H    THR  33           H        THR  33  15.189   8.185   0.636
  224    HA   THR  33           HA       THR  33  15.815   8.175  -2.299
  225    HB   THR  33           HB       THR  33  17.323   9.843  -0.335
  226    HG1  THR  33           1HG      THR  33  15.561  11.407  -0.568
  227   1HG2  THR  33          1HG2      THR  33  17.815  11.043  -2.193
  228   2HG2  THR  33          2HG2      THR  33  16.144  11.021  -2.758
  229   3HG2  THR  33          3HG2      THR  33  17.202   9.645  -3.074
  230    H    PHE  34           H        PHE  34  18.647   8.871  -1.401
  231    HA   PHE  34           HA       PHE  34  19.484   6.148  -0.457
  232   1HB   PHE  34          2HB       PHE  34  21.303   6.308  -2.135
  233   2HB   PHE  34          1HB       PHE  34  19.719   6.415  -2.901
  234    HD1  PHE  34           1HD      PHE  34  22.541   8.479  -1.596
  235    HD2  PHE  34           2HD      PHE  34  19.098   8.320  -4.161
  236    HE1  PHE  34           1HE      PHE  34  23.145  10.690  -2.545
  237    HE2  PHE  34           2HE      PHE  34  19.702  10.530  -5.109
  238    HZ   PHE  34           HZ       PHE  34  21.725  11.715  -4.302
  Start of MODEL   20
    1   1H    THR   1          1HT       THR   1  -8.020   6.207  -6.139
    2   2H    THR   1          2HT       THR   1  -7.539   7.699  -5.480
    3   3H    THR   1          3HT       THR   1  -9.176   7.248  -5.462
    4    HA   THR   1           HA       THR   1  -7.787   6.993  -3.303
    5    HB   THR   1           HB       THR   1  -9.537   4.811  -4.485
    6    HG1  THR   1           1HG      THR   1 -10.082   7.314  -3.293
    7   1HG2  THR   1          1HG2      THR   1  -8.395   4.321  -2.286
    8   2HG2  THR   1          2HG2      THR   1 -10.157   4.317  -2.211
    9   3HG2  THR   1          3HG2      THR   1  -9.252   5.705  -1.608
   10    H    CYS   2           H        CYS   2  -6.008   5.928  -2.499
   11    HA   CYS   2           HA       CYS   2  -5.121   3.401  -3.811
   12   1HB   CYS   2          2HB       CYS   2  -2.783   4.423  -3.794
   13   2HB   CYS   2          1HB       CYS   2  -3.907   5.114  -4.966
   14    H    ARG   3           H        ARG   3  -2.816   2.959  -2.454
   15    HA   ARG   3           HA       ARG   3  -3.679   2.952   0.418
   16   1HB   ARG   3          2HB       ARG   3  -2.722   0.952  -1.484
   17   2HB   ARG   3          1HB       ARG   3  -1.775   0.950   0.005
   18   1HG   ARG   3          2HG       ARG   3  -3.479  -0.417   0.713
   19   2HG   ARG   3          1HG       ARG   3  -4.244   1.133   1.069
   20   1HD   ARG   3          2HD       ARG   3  -4.988   0.923  -1.502
   21   2HD   ARG   3          1HD       ARG   3  -4.839  -0.805  -1.123
   22    HE   ARG   3           HE       ARG   3  -6.197   0.133   1.057
   23   1HH1  ARG   3          1HH1      ARG   3  -6.762  -0.332  -2.261
   24   2HH1  ARG   3          2HH1      ARG   3  -8.397   0.241  -2.222
   25   1HH2  ARG   3          1HH2      ARG   3  -8.238   1.266   1.086
   26   2HH2  ARG   3          2HH2      ARG   3  -9.231   1.146  -0.328
   27    H    TYR   4           H        TYR   4  -2.410   4.233   1.685
   28    HA   TYR   4           HA       TYR   4   0.206   5.201   0.737
   29   1HB   TYR   4          2HB       TYR   4  -1.561   5.643   3.155
   30   2HB   TYR   4          1HB       TYR   4   0.018   6.410   2.996
   31    HD1  TYR   4           1HD      TYR   4   0.402   8.201   1.431
   32    HD2  TYR   4           2HD      TYR   4  -3.369   6.147   1.527
   33    HE1  TYR   4           1HE      TYR   4  -0.589   9.952  -0.018
   34    HE2  TYR   4           2HE      TYR   4  -4.360   7.897   0.077
   35    HH   TYR   4           HH       TYR   4  -2.623  10.834  -0.705
   36    H    LEU   5           H        LEU   5   1.497   5.370   3.236
   37    HA   LEU   5           HA       LEU   5   3.208   3.296   3.460
   38   1HB   LEU   5          2HB       LEU   5   1.875   5.083   5.440
   39   2HB   LEU   5          1HB       LEU   5   2.874   3.777   6.074
   40    HG   LEU   5           HG       LEU   5   4.332   4.936   3.941
   41   1HD1  LEU   5          1HD1      LEU   5   3.106   6.962   3.983
   42   2HD1  LEU   5          2HD1      LEU   5   4.508   7.290   5.001
   43   3HD1  LEU   5          3HD1      LEU   5   2.947   6.926   5.740
   44   1HD2  LEU   5          1HD2      LEU   5   5.178   3.883   6.057
   45   2HD2  LEU   5          2HD2      LEU   5   4.660   5.322   6.934
   46   3HD2  LEU   5          3HD2      LEU   5   5.929   5.442   5.714
   47    H    PHE   6           H        PHE   6   3.278   1.220   4.148
   48    HA   PHE   6           HA       PHE   6   2.356  -0.938   4.454
   49   1HB   PHE   6          2HB       PHE   6   1.515   0.725   6.839
   50   2HB   PHE   6          1HB       PHE   6   1.517  -1.041   6.821
   51    HD1  PHE   6           1HD      PHE   6   3.632   1.988   6.658
   52    HD2  PHE   6           2HD      PHE   6   3.586  -2.305   6.819
   53    HE1  PHE   6           1HE      PHE   6   6.070   1.978   7.108
   54    HE2  PHE   6           2HE      PHE   6   6.024  -2.313   7.272
   55    HZ   PHE   6           HZ       PHE   6   7.265  -0.171   7.410
   56    H    GLY   7           H        GLY   7   0.555   0.899   2.913
   57   1HA   GLY   7          2HA       GLY   7  -2.152   0.638   3.781
   58   2HA   GLY   7          1HA       GLY   7  -1.653   0.839   2.100
   59    H    GLY   8           H        GLY   8  -3.448  -1.151   3.900
   60   1HA   GLY   8          2HA       GLY   8  -2.540  -3.786   3.485
   61   2HA   GLY   8          1HA       GLY   8  -4.245  -3.335   3.530
   62    H    CYS   9           H        CYS   9  -1.593  -4.189   1.476
   63    HA   CYS   9           HA       CYS   9  -3.369  -3.916  -0.927
   64   1HB   CYS   9          2HB       CYS   9  -1.373  -3.247  -2.110
   65   2HB   CYS   9          1HB       CYS   9  -1.534  -2.274  -0.645
   66    H    LYS  10           H        LYS  10  -3.000  -5.419  -2.599
   67    HA   LYS  10           HA       LYS  10  -1.762  -8.005  -1.727
   68   1HB   LYS  10          2HB       LYS  10  -4.169  -8.121  -2.091
   69   2HB   LYS  10          1HB       LYS  10  -4.012  -7.297  -3.643
   70   1HG   LYS  10          2HG       LYS  10  -2.629  -9.197  -4.473
   71   2HG   LYS  10          1HG       LYS  10  -2.905 -10.032  -2.945
   72   1HD   LYS  10          2HD       LYS  10  -4.689 -10.928  -4.051
   73   2HD   LYS  10          1HD       LYS  10  -5.462  -9.400  -3.625
   74   1HE   LYS  10          2HE       LYS  10  -4.141  -8.681  -5.914
   75   2HE   LYS  10          1HE       LYS  10  -4.564 -10.368  -6.270
   76   1HZ   LYS  10          1HZ       LYS  10  -6.785  -9.968  -6.041
   77   2HZ   LYS  10          2HZ       LYS  10  -6.301  -8.445  -6.619
   78   3HZ   LYS  10          3HZ       LYS  10  -6.567  -8.681  -4.958
   79    H    THR  11           H        THR  11  -1.385  -5.303  -3.696
   80    HA   THR  11           HA       THR  11   0.765  -6.601  -5.248
   81    HB   THR  11           HB       THR  11  -0.402  -5.655  -7.387
   82    HG1  THR  11           1HG      THR  11  -2.368  -4.994  -7.131
   83   1HG2  THR  11          1HG2      THR  11  -0.237  -8.137  -6.301
   84   2HG2  THR  11          2HG2      THR  11  -1.027  -7.803  -7.842
   85   3HG2  THR  11          3HG2      THR  11  -1.988  -7.940  -6.369
   86    H    THR  12           H        THR  12   2.015  -4.938  -6.488
   87    HA   THR  12           HA       THR  12   2.447  -2.536  -4.978
   88    HB   THR  12           HB       THR  12   3.272  -3.155  -7.825
   89    HG1  THR  12           1HG      THR  12   5.173  -3.958  -6.473
   90   1HG2  THR  12          1HG2      THR  12   4.556  -1.551  -5.595
   91   2HG2  THR  12          2HG2      THR  12   3.799  -0.890  -7.044
   92   3HG2  THR  12          3HG2      THR  12   5.276  -1.845  -7.179
   93    H    ALA  13           H        ALA  13   0.568  -3.189  -7.908
   94    HA   ALA  13           HA       ALA  13   0.141  -0.407  -8.602
   95   1HB   ALA  13          1HB       ALA  13  -0.035  -2.523 -10.038
   96   2HB   ALA  13          2HB       ALA  13  -1.329  -1.341 -10.240
   97   3HB   ALA  13          3HB       ALA  13  -1.601  -2.789  -9.270
   98    H    ASP  14           H        ASP  14  -0.856  -2.020  -5.897
   99    HA   ASP  14           HA       ASP  14  -3.607  -0.912  -5.844
  100   1HB   ASP  14          2HB       ASP  14  -1.963  -2.875  -4.279
  101   2HB   ASP  14          1HB       ASP  14  -3.397  -2.172  -3.531
  102    H    CYS  15           H        CYS  15  -0.557   0.283  -5.157
  103    HA   CYS  15           HA       CYS  15  -1.462   1.740  -2.708
  104   1HB   CYS  15          2HB       CYS  15   1.271   2.047  -3.885
  105   2HB   CYS  15          1HB       CYS  15   0.782   2.006  -2.197
  106    H    CYS  16           H        CYS  16  -0.247   4.066  -2.781
  107    HA   CYS  16           HA       CYS  16  -1.653   5.647  -4.765
  108   1HB   CYS  16          2HB       CYS  16   0.478   6.229  -2.687
  109   2HB   CYS  16          1HB       CYS  16  -0.359   7.480  -3.604
  110    H    LYS  17           H        LYS  17   0.177   7.582  -5.510
  111    HA   LYS  17           HA       LYS  17   1.712   6.146  -7.576
  112   1HB   LYS  17          2HB       LYS  17   0.713   8.888  -7.013
  113   2HB   LYS  17          1HB       LYS  17   2.184   8.789  -7.981
  114   1HG   LYS  17          2HG       LYS  17   0.441   8.715  -9.579
  115   2HG   LYS  17          1HG       LYS  17   0.913   7.027  -9.382
  116   1HD   LYS  17          2HD       LYS  17  -1.284   6.639  -8.985
  117   2HD   LYS  17          1HD       LYS  17  -0.981   7.350  -7.398
  118   1HE   LYS  17          2HE       LYS  17  -1.974   9.367  -7.961
  119   2HE   LYS  17          1HE       LYS  17  -1.549   9.214  -9.678
  120   1HZ   LYS  17          1HZ       LYS  17  -3.356   7.250  -8.437
  121   2HZ   LYS  17          2HZ       LYS  17  -3.239   7.720 -10.065
  122   3HZ   LYS  17          3HZ       LYS  17  -3.975   8.750  -8.932
  123    H    HIS  18           H        HIS  18   2.666   5.802  -4.904
  124    HA   HIS  18           HA       HIS  18   5.467   6.640  -5.261
  125   1HB   HIS  18          2HB       HIS  18   3.944   7.518  -2.790
  126   2HB   HIS  18          1HB       HIS  18   5.594   7.949  -3.236
  127    HD1  HIS  18           1HD      HIS  18   5.890   9.635  -5.240
  128    HD2  HIS  18           2HD      HIS  18   1.937   9.046  -4.054
  129    HE1  HIS  18           1HE      HIS  18   4.536  11.482  -6.320
  130    H    LEU  19           H        LEU  19   2.999   4.977  -3.350
  131    HA   LEU  19           HA       LEU  19   4.870   3.609  -1.598
  132   1HB   LEU  19          2HB       LEU  19   1.952   3.449  -2.317
  133   2HB   LEU  19          1HB       LEU  19   2.675   2.218  -1.292
  134    HG   LEU  19           HG       LEU  19   1.827   3.799   0.233
  135   1HD1  LEU  19          1HD1      LEU  19   4.354   3.226   0.407
  136   2HD1  LEU  19          2HD1      LEU  19   3.712   4.537   1.396
  137   3HD1  LEU  19          3HD1      LEU  19   4.600   4.900  -0.084
  138   1HD2  LEU  19          1HD2      LEU  19   1.210   5.622  -1.134
  139   2HD2  LEU  19          2HD2      LEU  19   2.856   5.854  -1.719
  140   3HD2  LEU  19          3HD2      LEU  19   2.442   6.283  -0.063
  141    H    ALA  20           H        ALA  20   5.018   1.193  -1.577
  142    HA   ALA  20           HA       ALA  20   4.764  -0.075  -4.270
  143   1HB   ALA  20          1HB       ALA  20   7.079  -0.940  -3.964
  144   2HB   ALA  20          2HB       ALA  20   7.203  -0.032  -2.457
  145   3HB   ALA  20          3HB       ALA  20   7.044   0.824  -3.991
  146    H    CYS  21           H        CYS  21   3.138  -1.515  -3.589
  147    HA   CYS  21           HA       CYS  21   2.801  -2.787  -1.136
  148   1HB   CYS  21          2HB       CYS  21   1.327  -2.759  -3.196
  149   2HB   CYS  21          1HB       CYS  21   2.359  -4.021  -3.866
  150    H    ARG  22           H        ARG  22   4.484  -3.793  -0.064
  151    HA   ARG  22           HA       ARG  22   6.419  -5.474  -1.541
  152   1HB   ARG  22          2HB       ARG  22   6.895  -3.771   0.340
  153   2HB   ARG  22          1HB       ARG  22   6.224  -4.979   1.437
  154   1HG   ARG  22          2HG       ARG  22   8.594  -5.341   1.403
  155   2HG   ARG  22          1HG       ARG  22   7.878  -6.634   0.443
  156   1HD   ARG  22          2HD       ARG  22   9.548  -5.938  -1.022
  157   2HD   ARG  22          1HD       ARG  22   8.246  -4.843  -1.527
  158    HE   ARG  22           HE       ARG  22   9.637  -3.700   0.706
  159   1HH1  ARG  22          1HH1      ARG  22   9.006  -3.181  -2.482
  160   2HH1  ARG  22          2HH1      ARG  22  10.516  -2.428  -2.875
  161   1HH2  ARG  22          1HH2      ARG  22  12.018  -3.257   0.139
  162   2HH2  ARG  22          2HH2      ARG  22  12.219  -2.468  -1.390
  163    H    SER  23           H        SER  23   6.325  -7.693  -1.531
  164    HA   SER  23           HA       SER  23   4.006  -9.107  -0.725
  165   1HB   SER  23          2HB       SER  23   6.830  -9.882  -1.453
  166   2HB   SER  23          1HB       SER  23   5.576 -11.084  -1.163
  167    HG   SER  23           HG       SER  23   5.213  -8.918  -2.945
  168    H    ASP  24           H        ASP  24   6.558  -7.937   1.203
  169    HA   ASP  24           HA       ASP  24   6.622 -10.126   3.144
  170   1HB   ASP  24          2HB       ASP  24   8.196  -7.958   2.451
  171   2HB   ASP  24          1HB       ASP  24   7.496  -7.449   3.988
  172    H    GLY  25           H        GLY  25   4.073  -9.965   3.177
  173   1HA   GLY  25          2HA       GLY  25   2.572  -9.735   5.121
  174   2HA   GLY  25          1HA       GLY  25   3.339  -8.184   5.460
  175    H    LYS  26           H        LYS  26   3.021  -8.395   2.163
  176    HA   LYS  26           HA       LYS  26   1.567  -7.323   0.640
  177   1HB   LYS  26          2HB       LYS  26   0.028  -8.889   2.572
  178   2HB   LYS  26          1HB       LYS  26  -0.912  -7.552   1.909
  179   1HG   LYS  26          2HG       LYS  26  -1.206  -8.713   0.008
  180   2HG   LYS  26          1HG       LYS  26   0.540  -8.715  -0.247
  181   1HD   LYS  26          2HD       LYS  26   0.812 -10.821   0.673
  182   2HD   LYS  26          1HD       LYS  26  -0.602 -10.663   1.717
  183   1HE   LYS  26          2HE       LYS  26  -1.286 -12.212   0.039
  184   2HE   LYS  26          1HE       LYS  26  -1.969 -10.666  -0.506
  185   1HZ   LYS  26          1HZ       LYS  26  -0.184 -10.321  -1.972
  186   2HZ   LYS  26          2HZ       LYS  26  -0.618 -11.948  -2.202
  187   3HZ   LYS  26          3HZ       LYS  26   0.750 -11.553  -1.276
  188    H    TYR  27           H        TYR  27   2.825  -5.375   1.819
  189    HA   TYR  27           HA       TYR  27   0.700  -3.470   2.745
  190   1HB   TYR  27          2HB       TYR  27   2.171  -2.741   4.519
  191   2HB   TYR  27          1HB       TYR  27   2.097  -4.497   4.595
  192    HD1  TYR  27           1HD      TYR  27   4.059  -5.768   4.518
  193    HD2  TYR  27           2HD      TYR  27   4.120  -1.706   3.123
  194    HE1  TYR  27           1HE      TYR  27   6.520  -5.895   4.247
  195    HE2  TYR  27           2HE      TYR  27   6.584  -1.839   2.851
  196    HH   TYR  27           HH       TYR  27   8.468  -4.048   4.251
  197    H    CYS  28           H        CYS  28   0.932  -1.381   1.883
  198    HA   CYS  28           HA       CYS  28   2.860  -1.090  -0.327
  199   1HB   CYS  28          2HB       CYS  28   0.476   0.403   0.749
  200   2HB   CYS  28          1HB       CYS  28   1.489   1.115  -0.502
  201    H    ALA  29           H        ALA  29   4.774  -0.058  -0.122
  202    HA   ALA  29           HA       ALA  29   5.070   2.202   1.803
  203   1HB   ALA  29          1HB       ALA  29   6.825   1.167   2.971
  204   2HB   ALA  29          2HB       ALA  29   7.175   0.053   1.649
  205   3HB   ALA  29          3HB       ALA  29   5.756  -0.200   2.664
  206    H    TRP  30           H        TRP  30   6.148   3.854   0.731
  207    HA   TRP  30           HA       TRP  30   7.181   3.367  -1.956
  208   1HB   TRP  30          2HB       TRP  30   7.542   5.841  -1.875
  209   2HB   TRP  30          1HB       TRP  30   5.904   5.370  -1.428
  210    HD1  TRP  30           HD       TRP  30   9.188   5.618   0.598
  211    HE1  TRP  30           1HE      TRP  30   8.707   6.941   2.739
  212    HE3  TRP  30           3HE      TRP  30   4.262   6.735  -0.142
  213    HZ2  TRP  30           2HZ      TRP  30   6.534   8.322   3.982
  214    HZ3  TRP  30           3HZ      TRP  30   3.015   8.067   1.534
  215    HH2  TRP  30           HH       TRP  30   4.144   8.860   3.594
  216    H    ASP  31           H        ASP  31   9.387   4.527  -2.473
  217    HA   ASP  31           HA       ASP  31  11.380   3.774  -0.360
  218   1HB   ASP  31          2HB       ASP  31  12.774   3.008  -2.325
  219   2HB   ASP  31          1HB       ASP  31  11.298   2.072  -2.085
  220    H    GLY  32           H        GLY  32  10.492   6.409  -0.557
  221   1HA   GLY  32          2HA       GLY  32  12.793   7.748  -1.927
  222   2HA   GLY  32          1HA       GLY  32  11.183   8.468  -1.875
  223    H    THR  33           H        THR  33  11.855   6.825   1.000
  224    HA   THR  33           HA       THR  33  12.893   9.318   2.298
  225    HB   THR  33           HB       THR  33  10.796   7.562   3.552
  226    HG1  THR  33           1HG      THR  33   9.235   8.823   2.556
  227   1HG2  THR  33          1HG2      THR  33  12.149   9.557   4.626
  228   2HG2  THR  33          2HG2      THR  33  10.421   9.386   4.938
  229   3HG2  THR  33          3HG2      THR  33  10.990  10.546   3.738
  230    H    PHE  34           H        PHE  34  12.530   5.798   2.407
  231    HA   PHE  34           HA       PHE  34  14.118   5.484   4.832
  232   1HB   PHE  34          2HB       PHE  34  13.455   3.291   4.627
  233   2HB   PHE  34          1HB       PHE  34  12.292   3.991   3.507
  234    HD1  PHE  34           1HD      PHE  34  14.460   1.349   3.864
  235    HD2  PHE  34           2HD      PHE  34  13.509   4.448   1.046
  236    HE1  PHE  34           1HE      PHE  34  15.418  -0.023   2.032
  237    HE2  PHE  34           2HE      PHE  34  14.466   3.075  -0.785
  238    HZ   PHE  34           HZ       PHE  34  15.420   0.840  -0.291