*HEADER    TOXIN                                   22-MAY-02   1LU8              
*TITLE     SOLUTION STRUCTURE OF GSMTX-4                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VENOM TOXIN PEPTIDE MTX4;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-34;                                             
*COMPND   5 SYNONYM: GSMTX-4;                                                    
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS SYNTHESIZED CHEMICALLY.              
*KEYWDS    TRIPLE STRANDED ANTIPARELLEL BETA-SHEET, INHIBITORY CYSTINE           
*KEYWDS   2 KNOT                                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.J.JUNG, C.W.LEE, Y.E.EARM, J.I.KIM                                  
*REVDAT   1   27-JAN-04 1LU8    0                                                

assign  (resid  2 and name  HB1 )  (resid  3 and name  HN  )  3.00  1.20  0.50
assign  (resid  2 and name  HB2 )  (resid  3 and name  HN  )  2.50  0.70  0.20
assign  (resid  2 and name  HA )  (resid  3 and name  HN  )  2.50  0.70  0.20
assign  (resid  2 and name  HA )  (resid 15    and name  HG# )  4.00  2.20  2.00
assign  (resid  2 and name  HA )  (resid 15 and name  HB# )  4.00  2.20  2.00
assign  (resid  2 and name  HB2 )  (resid 18    and name  HA  )  4.00  2.20  2.00
assign  (resid  2 and name  HB1 )  (resid 18    and name  HA  )  4.00  2.20  2.00
assign  (resid  3 and name  HA )  (resid  4 and name  HN  )  4.00  2.20  1.00
assign  (resid  3 and name  HD# )  (resid  4 and name  HN  )  4.00  2.20  3.90
assign  (resid  3 and name  HA  )  (resid  7 and name  HE3 )  3.00  1.20  0.50
assign  (resid  3 and name  HD# )  (resid  7 and name  HZ3 )  4.00  2.20  3.90
assign  (resid  3 and name  HD# )  (resid  7 and name  HE3 )  3.00  1.20  3.40
assign  (resid  3 and name  HA )  (resid  7 and name  HB# )  4.00  2.20  3.00
assign  (resid  3 and name  HB1 )  (resid  7 and name  HB# )  4.00  2.20  2.00
assign  (resid  3 and name  HB2 )  (resid  7 and name  HB# )  3.00  1.20  1.50
assign  (resid  3 and name  HD# )  (resid  7 and name  HB# )  4.00  2.20  4.90
assign  (resid  3 and name  HB2 )  (resid  7 and name  HE3 )  4.00  2.20  1.00
assign  (resid  3 and name  HD# )  (resid  9 and name  HB2 )  4.00  2.20  3.90
assign  (resid  3 and name  HD# )  (resid  9 and name  HB1 )  4.00  2.20  3.90
assign  (resid  3 and name  HD# )  (resid  9 and name  HA  )  3.00  1.20  3.40
assign  (resid  3 and name  HD# )  (resid 10 and name  HN  )  4.00  2.20  4.90
assign  (resid  3 and name  HD# )  (resid 15 and name  HG# )  4.00  2.20  4.90
assign  (resid  3 and name  HD# )  (resid 15 and name  HG# )  4.00  2.20  4.90
assign  (resid  3 and name  HN )  (resid 15 and name  HG# )  4.00  2.20  3.00
assign  (resid  3 and name  HD# )  (resid 15 and name  HN  )  4.00  2.20  3.90
assign  (resid  3 and name  HG )  (resid 16 and name  HA  )  4.00  2.20  1.00
assign  (resid  3 and name  HD# )  (resid 16 and name  HN  )  4.00  2.20  4.90
assign  (resid  3 and name  HD# )  (resid 16 and name  HB# )  4.00  2.20  5.90
assign  (resid  3 and name  HN )  (resid 16 and name  HA  )  3.00  1.20  0.50
assign  (resid  3 and name  HB1 )  (resid 16 and name  HA  )  3.00  1.20  0.50
assign  (resid  3 and name  HB2 )  (resid 16 and name  HA  )  4.00  2.20  1.00
assign  (resid  3 and name  HD# )  (resid 17 and name  HN  )  4.00  2.20  4.90
assign  (resid  3 and name  HN )  (resid 17 and name  HN  )  3.00  1.20  0.50
assign  (resid  3 and name  HG )  (resid 17 and name  HN  )  4.00  2.20  2.00
assign  (resid  3 and name  HB2 )  (resid 17 and name  HN  )  4.00  2.20  2.00
assign  (resid  3 and name  HB1 )  (resid 17 and name  HN  )  4.00  2.20  1.00
assign  (resid  3 and name  HD# )  (resid 18 and name  HD# )  4.00  2.20  5.90
assign  (resid  4 and name  HB# )  (resid  5 and name  HN  )  3.00  1.20  1.50
assign  (resid  4 and name  HG# )  (resid  5 and name  HN  )  2.50  0.70  1.20
assign  (resid  4 and name  HG# )  (resid  5 and name  HN  )  3.00  1.20  1.50
assign  (resid  4 and name  HA )  (resid  5 and name  HN  )  2.50  0.70  0.20
assign  (resid  4 and name  HN  )  (resid  7 and name  HE3 )  3.00  1.20  0.50
assign  (resid  4 and name  HN  )  (resid  7 and name  HB# )  4.00  2.20  2.00
assign  (resid  4 and name  HB# )  (resid  7 and name  HE1 )  4.00  2.20  2.00
assign  (resid  4 and name  HG# )  (resid  7 and name  HE1 )  4.00  2.20  2.00
assign  (resid  4 and name  HG# )  (resid  7 and name  HE1 )  4.00  2.20  2.00
assign  (resid  4 and name  HB# )  (resid  7 and name  HD1 )  4.00  2.20  2.00
assign  (resid  4 and name  HG# )  (resid  7 and name  HD1 )  4.00  2.20  3.00
assign  (resid  4 and name  HG# )  (resid  7 and name  HD1 )  4.00  2.20  3.00
assign  (resid  4 and name  HA  )  (resid 17 and name  HN  )  4.00  2.20  2.00
assign  (resid  4 and name  HA  )  (resid 21    and name  HD# )  2.50  0.70  3.10
assign  (resid  4 and name  HG# )  (resid 21    and name  HD# )  4.00  2.20  5.90
assign  (resid  4 and name  HG# )  (resid 21    and name  HD# )  4.00  2.20  4.90
assign  (resid  5 and name  HB# )  (resid  6 and name  HN  )  4.00  2.20  3.00
assign  (resid  5 and name  HB# )  (resid  6 and name  HN  )  4.00  2.20  3.00
assign  (resid  5 and name  HA  )  (resid  6 and name  HN  )  3.00  1.20  0.50
assign  (resid  5 and name  HD# )  (resid  6 and name  HN  )  4.00  2.20  3.40
assign  (resid  5 and name  HD# )  (resid  6 and name  HB# )  3.00  1.20  3.90
assign  (resid  5 and name  HD# )  (resid  6 and name  HB# )  4.00  2.20  4.40
assign  (resid  5 and name  HE# )  (resid  6 and name  HB# )  4.00  2.20  4.40
assign  (resid  5 and name  HE# )  (resid  6 and name  HA  )  4.00  2.20  4.40
assign  (resid  5 and name  HD# )  (resid  6 and name  HA  )  4.00  2.20  3.40
assign  (resid  5 and name  HD# )  (resid 21 and name  HD# )  2.50  0.70  5.50
assign  (resid  5 and name  HD# )  (resid 21 and name  HD# )  4.00  2.20  6.30
assign  (resid  5 and name  HN )  (resid 21 and name  HD# )  4.00  2.20  3.90
assign  (resid  5 and name  HN )  (resid 21 and name  HD# )  3.00  1.20  3.40
assign  (resid  5 and name  HE# )  (resid 21 and name  HD# )  4.00  2.20  6.30
assign  (resid  5 and name  HB# )  (resid 21    and name  HD# )  4.00  2.20  4.90
assign  (resid  5 and name  HB# )  (resid 21    and name  HD# )  4.00  2.20  4.90
assign  (resid  5 and name  HB# )  (resid 21 and name  HD# )  4.00  2.20  4.90
assign  (resid  5 and name  HB# )  (resid 21 and name  HD# )  4.00  2.20  4.90
assign  (resid  5 and name  HA )  (resid 21 and name  HD# )  3.00  1.20  3.40
assign  (resid  5 and name  HA )  (resid 21 and name  HD# )  3.00  1.20  3.40
assign  (resid  5 and name  HE# )  (resid 31 and name  HA  )  3.00  1.20  2.90
assign  (resid  5 and name  HD# )  (resid 31 and name  HA  )  3.00  1.20  2.90
assign  (resid  5 and name  HD# )  (resid 32 and name  HN  )  4.00  2.20  4.40
assign  (resid  5 and name  HE# )  (resid 32 and name  HN  )  4.00  2.20  3.40
assign  (resid  6 and name  HN )  (resid  7 and name  HN  )  3.00  1.20  0.50
assign  (resid  6 and name  HA )  (resid  7 and name  HN  )  3.00  1.20  0.50
assign  (resid  6 and name  HD1 )  (resid  8 and name  HG# )  4.00  2.20  3.00
assign  (resid  6 and name  HD1 )  (resid  8 and name  HB# )  4.00  2.20  3.00
assign  (resid  6 and name  HN )  (resid 21 and name  HD# )  4.00  2.20  3.90
assign  (resid  6 and name  HE1 )  (resid 29 and name  HD# )  4.00  2.20  3.90
assign  (resid  6 and name  HN )  (resid 29 and name  HB# )  4.00  2.20  2.00
assign  (resid  6 and name  HE3 )  (resid 29 and name  HD# )  4.00  2.20  3.90
assign  (resid  6 and name  HZ2 )  (resid 29 and name  HD# )  4.00  2.20  3.90
assign  (resid  6 and name  HD1 )  (resid 29 and name  HD# )  4.00  2.20  3.90
assign  (resid  6 and name  HE3 )  (resid 29 and name  HD# )  4.00  2.20  4.90
assign  (resid  6 and name  HD1 )  (resid 29 and name  HD# )  4.00  2.20  3.90
assign  (resid  6 and name  HH2 )  (resid 29 and name  HD# )  4.00  2.20  3.90
assign  (resid  6 and name  HE3 )  (resid 29    and name  HB# )  4.00  2.20  2.00
assign  (resid  6 and name  HE3 )  (resid 29    and name  HB# )  4.00  2.20  2.00
assign  (resid  6 and name  HB# )  (resid 29    and name  HD# )  4.00  2.20  5.90
assign  (resid  6 and name  HN )  (resid 30 and name  HN  )  4.00  2.20  1.00
assign  (resid  6 and name  HN )  (resid 30 and name  HB1 )  4.00  2.20  1.00
assign  (resid  6 and name  HN )  (resid 30 and name  HB2 )  3.00  1.20  0.50
assign  (resid  6 and name  HA )  (resid 30 and name  HN  )  4.00  2.20  1.00
assign  (resid  6 and name  HA  )  (resid 30    and name  HB1 )  4.00  2.20  2.00
assign  (resid  6 and name  HA  )  (resid 30    and name  HB2 )  4.00  2.20  1.00
assign  (resid  6 and name  HE3 )  (resid 31 and name  HB1 )  3.00  1.20  0.50
assign  (resid  6 and name  HE3 )  (resid 31 and name  HB2 )  4.00  2.20  1.00
assign  (resid  6 and name  HE3 )  (resid 31 and name  HD2#)  4.00  2.20  2.00
assign  (resid  6 and name  HE3 )  (resid 31 and name  HD2#)  4.00  2.20  3.00
assign  (resid  7 and name  HB# )  (resid  8 and name  HN  )  2.50  0.70  1.20
assign  (resid  7 and name  HA )  (resid  8 and name  HN  )  2.50  0.70  0.20
assign  (resid  7 and name  HN )  (resid  8 and name  HN  )  4.00  2.20  2.00
assign  (resid  7 and name  HD1 )  (resid  8 and name  HN  )  4.00  2.20  2.00
assign  (resid  7 and name  HA )  (resid 29 and name  HD# )  4.00  2.20  3.90
assign  (resid  7 and name  HN )  (resid 30 and name  HN  )  3.00  1.20  0.50
assign  (resid  7 and name  HN )  (resid 30 and name  HB1 )  4.00  2.20  1.00
assign  (resid  7 and name  HN )  (resid 30 and name  HB2 )  4.00  2.20  1.00
assign  (resid  7 and name  HB# )  (resid 30 and name  HN  )  4.00  2.20  3.00
assign  (resid  8 and name  HB# )  (resid  9 and name  HN  )  4.00  2.20  2.00
assign  (resid  8 and name  HB# )  (resid  9 and name  HN  )  4.00  2.20  2.00
assign  (resid  8 and name  HA )  (resid  9 and name  HN  )  2.50  0.70  0.20
assign  (resid  8 and name  HN )  (resid  9 and name  HN  )  4.00  2.20  2.00
assign  (resid  8 and name  HA )  (resid 29 and name  HD# )  2.50  0.70  3.10
assign  (resid  8 and name  HB# )  (resid 29 and name  HD# )  4.00  2.20  4.90
assign  (resid  8 and name  HB# )  (resid 29 and name  HD# )  4.00  2.20  5.90
assign  (resid  8 and name  HG# )  (resid 29 and name  HD# )  4.00  2.20  4.90
assign  (resid  8 and name  HN )  (resid 29 and name  HD# )  4.00  2.20  3.90
assign  (resid  8 and name  HG# )  (resid 29 and name  HD# )  4.00  2.20  4.90
assign  (resid  9 and name  HA  )  (resid 10    and name  HN  )  2.50  0.70  0.20
assign  (resid  9 and name  HB1 )  (resid 10    and name  HN  )  3.00  1.20  0.50
assign  (resid  9 and name  HB2 )  (resid 10    and name  HN  )  3.00  1.20  0.50
assign  (resid  9 and name  HB2 )  (resid 14    and name  HA  )  4.00  2.20  1.00
assign  (resid  9 and name  HB2 )  (resid 15    and name  HN  )  4.00  2.20  1.00
assign  (resid  9 and name  HB2 )  (resid 16    and name  HN  )  4.00  2.20  2.00
assign  (resid  9 and name  HB2 )  (resid 23    and name  HN  )  4.00  2.20  2.00
assign  (resid  9 and name  HN  )  (resid 28    and name  HA  )  4.00  2.20  2.00
assign  (resid  9 and name  HN )  (resid 28 and name  HB# )  4.00  2.20  3.00
assign  (resid  9 and name  HN )  (resid 29 and name  HD# )  4.00  2.20  3.90
assign  (resid  9 and name  HN  )  (resid 29    and name  HA  )  3.00  1.20  0.50
assign  (resid  9 and name  HN )  (resid 30 and name  HN  )  4.00  2.20  2.00
assign  (resid  9 and name  HB1 )  (resid 30    and name  HN  )  4.00  2.20  1.00
assign  (resid 10 and name  HA  )  (resid 11 and name  HB# )  4.00  2.20  3.00
assign  (resid 10 and name  HA  )  (resid 11    and name  HA  )  4.00  2.20  1.00
assign  (resid 10 and name  HN  )  (resid 11 and name  HD# )  4.00  2.20  3.00
assign  (resid 10 and name  HA  )  (resid 11 and name  HD# )  3.00  1.20  1.50
assign  (resid 10 and name  HD2#)  (resid 12 and name  HB2 )  4.00  2.20  2.00
assign  (resid 10 and name  HD2#)  (resid 12 and name  HB1 )  4.00  2.20  3.00
assign  (resid 10 and name  HA  )  (resid 12    and name  HN  )  4.00  2.20  2.00
assign  (resid 10 and name  HD2#)  (resid 13    and name  HB# )  3.00  1.20  2.50
assign  (resid 10 and name  HB# )  (resid 14 and name  HN  )  4.00  2.20  2.00
assign  (resid 11 and name  HA  )  (resid 12    and name  HN  )  4.00  0.50  1.00
assign  (resid 11 and name  HD# )  (resid 12    and name  HN  )  4.00  0.50  2.00
assign  (resid 11 and name  HG# )  (resid 12 and name  HN  )  4.00  2.20  2.00
assign  (resid 11 and name  HB# )  (resid 12 and name  HN  )  4.00  2.20  3.00
assign  (resid 11 and name  HD# )  (resid 13 and name  HN  )  4.00  2.20  3.00
assign  (resid 11 and name  HD# )  (resid 13 and name  HN  )  4.00  2.20  3.00
assign  (resid 11 and name  HB# )  (resid 13 and name  HN  )  4.00  2.20  3.00
assign  (resid 11 and name  HD# )  (resid 14    and name  HN  )  4.00  2.20  3.00
assign  (resid 12 and name  HA )  (resid 13 and name  HN  )  4.00  2.20  1.00
assign  (resid 12 and name  HB2 )  (resid 13 and name  HN  )  4.00  2.20  1.00
assign  (resid 12 and name  HN )  (resid 13 and name  HN  )  2.50  0.70  0.20
assign  (resid 13 and name  HB# )  (resid 14 and name  HN  )  4.00  2.20  2.00
assign  (resid 13 and name  HA )  (resid 14 and name  HN  )  2.50  0.70  0.20
assign  (resid 13 and name  HA )  (resid 14 and name  HB# )  4.00  0.50  3.00
assign  (resid 13 and name  HN )  (resid 14 and name  HB# )  4.00  0.50  2.00
assign  (resid 13 and name  HN )  (resid 14 and name  HB# )  4.00  0.50  2.00
assign  (resid 13 and name  HB# )  (resid 14    and name  HB# )  4.00  2.20  3.00
assign  (resid 13 and name  HN )  (resid 14 and name  HN  )  3.00  1.20  0.50
assign  (resid 14 and name  HA )  (resid 15 and name  HN  )  2.50  0.70  0.20
assign  (resid 14 and name  HB# )  (resid 15 and name  HN  )  4.00  0.50  3.00
assign  (resid 14 and name  HB# )  (resid 16 and name  HN  )  4.00  0.50  3.00
assign  (resid 14 and name  HA )  (resid 16 and name  HN  )  4.00  2.20  1.00
assign  (resid 14 and name  HA )  (resid 23 and name  HB1 )  4.00  2.20  2.00
assign  (resid 14 and name  HA )  (resid 23 and name  HB2 )  4.00  2.20  2.00
assign  (resid 15 and name  HA )  (resid 16 and name  HN  )  3.00  1.20  0.50
assign  (resid 15 and name  HB# )  (resid 16 and name  HN  )  4.00  0.50  2.00
assign  (resid 15 and name  HN )  (resid 16 and name  HN  )  3.00  1.20  0.50
assign  (resid 16 and name  HN )  (resid 17 and name  HN  )  4.00  2.20  2.00
assign  (resid 16 and name  HA )  (resid 17 and name  HN  )  2.50  0.70  0.20
assign  (resid 16 and name  HB# )  (resid 17 and name  HN  )  3.00  1.20  1.50
assign  (resid 16 and name  HB# )  (resid 21 and name  HN  )  4.00  2.20  3.00
assign  (resid 16 and name  HB# )  (resid 21 and name  HA  )  4.00  2.20  3.00
assign  (resid 16 and name  HB# )  (resid 21 and name  HB1 )  3.00  1.20  1.50
assign  (resid 16 and name  HB# )  (resid 21 and name  HB2 )  3.00  1.20  1.50
assign  (resid 16 and name  HB# )  (resid 21 and name  HD# )  3.00  1.20  4.40
assign  (resid 16 and name  HB# )  (resid 21 and name  HD# )  4.00  2.20  5.90
assign  (resid 16 and name  HB# )  (resid 22 and name  HA  )  3.00  1.20  1.50
assign  (resid 16 and name  HB# )  (resid 22 and name  HN  )  4.00  2.20  2.00
assign  (resid 16 and name  HN )  (resid 23 and name  HB1 )  4.00  2.20  2.00
assign  (resid 16 and name  HB# )  (resid 23 and name  HN  )  4.00  2.20  2.00
assign  (resid 16 and name  HB# )  (resid 30 and name  HB1 )  4.00  2.20  2.00
assign  (resid 17 and name  HB1 )  (resid 18 and name  HN  )  4.00  2.20  1.00
assign  (resid 17 and name  HB2 )  (resid 18 and name  HN  )  3.00  1.20  0.50
assign  (resid 17 and name  HA )  (resid 18 and name  HN  )  3.00  1.20  0.50
assign  (resid 17 and name  HN )  (resid 18 and name  HN  )  4.00  2.20  2.00
assign  (resid 17 and name  HN )  (resid 18 and name  HD# )  4.00  2.20  3.00
assign  (resid 17 and name  HA )  (resid 18 and name  HD# )  3.00  1.20  1.50
assign  (resid 17 and name  HA )  (resid 18 and name  HD# )  3.00  1.20  1.50
assign  (resid 17 and name  HA )  (resid 20 and name  HN  )  4.00  2.20  2.00
assign  (resid 17 and name  HA )  (resid 21 and name  HN  )  4.00  2.20  2.00
assign  (resid 17 and name  HN )  (resid 21 and name  HD# )  3.00  1.20  2.90
assign  (resid 17 and name  HN )  (resid 21 and name  HB# )  4.00  2.20  2.00
assign  (resid 17 and name  HB2 )  (resid 21 and name  HD# )  4.00  2.20  3.90
assign  (resid 17 and name  HB1 )  (resid 21 and name  HD# )  3.00  1.20  3.40
assign  (resid 17 and name  HA )  (resid 21 and name  HD# )  4.00  2.20  4.90
assign  (resid 18 and name  HA )  (resid 19 and name  HA  )  4.00  2.20  2.00
assign  (resid 18 and name  HA )  (resid 19 and name  HB# )  4.00  2.20  3.00
assign  (resid 18 and name  HN )  (resid 19 and name  HA  )  4.00  2.20  2.00
assign  (resid 18 and name  HG# )  (resid 19 and name  HA  )  4.00  2.20  2.00
assign  (resid 18 and name  HB# )  (resid 19    and name  HA  )  4.00  2.20  2.00
assign  (resid 18 and name  HG# )  (resid 19    and name  HA  )  4.00  2.20  2.00
assign  (resid 18 and name  HA  )  (resid 19    and name  HA  )  4.00  2.20  1.00
assign  (resid 18 and name  HB# )  (resid 19 and name  HA  )  4.00  2.20  2.00
assign  (resid 18 and name  HA  )  (resid 20    and name  HN  )  3.00  1.20  0.50
assign  (resid 18 and name  HA  )  (resid 21    and name  HN  )  3.00  1.20  0.50
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assign  (resid 19 and name  HA )  (resid 20 and name  HN  )  4.00  2.20  1.00
assign  (resid 19 and name  HA )  (resid 21 and name  HN  )  4.00  2.20  2.00
assign  (resid 20 and name  HB# )  (resid 21 and name  HN  )  3.00  1.20  1.50
assign  (resid 20 and name  HA )  (resid 21 and name  HN  )  4.00  2.20  1.00
assign  (resid 20 and name  HN )  (resid 21 and name  HN  )  3.00  1.20  0.50
assign  (resid 20 and name  HD# )  (resid 21 and name  HD# )  4.00  2.20  5.90
assign  (resid 20 and name  HB# )  (resid 21 and name  HD# )  4.00  2.20  4.90
assign  (resid 20 and name  HD# )  (resid 31 and name  HA  )  4.00  2.20  3.00
assign  (resid 20 and name  HB# )  (resid 32 and name  HD# )  4.00  2.20  4.40
assign  (resid 20 and name  HB# )  (resid 32 and name  HE# )  3.00  1.20  3.90
assign  (resid 20 and name  HA )  (resid 33 and name  HB# )  4.00  2.20  2.00
assign  (resid 20 and name  HA )  (resid 33 and name  HN  )  4.00  2.20  2.00
assign  (resid 21 and name  HN )  (resid 22 and name  HN  )  4.00  2.20  2.00
assign  (resid 21 and name  HD# )  (resid 22 and name  HN  )  4.00  2.20  3.90
assign  (resid 21 and name  HD# )  (resid 22 and name  HN  )  4.00  2.20  4.90
assign  (resid 21 and name  HB# )  (resid 22 and name  HN  )  3.00  1.20  1.50
assign  (resid 21 and name  HG )  (resid 22 and name  HN  )  4.00  2.20  2.00
assign  (resid 21 and name  HB# )  (resid 22 and name  HN  )  4.00  2.20  2.00
assign  (resid 21 and name  HA )  (resid 22 and name  HN  )  2.50  0.70  0.20
assign  (resid 21 and name  HD# )  (resid 31 and name  HA  )  4.00  2.20  3.90
assign  (resid 21 and name  HD# )  (resid 32 and name  HN  )  4.00  2.20  3.90
assign  (resid 21 and name  HD# )  (resid 32 and name  HD# )  3.00  1.20  5.80
assign  (resid 21 and name  HD# )  (resid 32 and name  HE# )  3.00  1.20  5.80
assign  (resid 21 and name  HG )  (resid 32 and name  HD# )  4.00  2.20  3.40
assign  (resid 21 and name  HD# )  (resid 32 and name  HA  )  3.00  1.20  3.40
assign  (resid 21 and name  HD# )  (resid 33 and name  HN  )  4.00  2.20  3.90
assign  (resid 21 and name  HA )  (resid 33 and name  HN  )  3.00  1.20  0.50
assign  (resid 21 and name  HD# )  (resid 30 and name  HB2 )  3.00  1.20  3.40
assign  (resid 21 and name  HB# )  (resid 30 and name  HB2 )  4.00  2.20  2.00
assign  (resid 21 and name  HB# )  (resid 30 and name  HB2 )  3.00  1.20  1.50
assign  (resid 21 and name  HD# )  (resid 30 and name  HB2 )  4.00  2.20  3.90
assign  (resid 21 and name  HD# )  (resid 30 and name  HB1 )  4.00  2.20  3.90
assign  (resid 21 and name  HD# )  (resid 30 and name  HB1 )  4.40  2.20  4.90
assign  (resid 21 and name  HD# )  (resid 31 and name  HN  )  4.00  2.20  4.90
assign  (resid 21 and name  HB# )  (resid 31 and name  HN  )  4.00  2.20  3.00
assign  (resid 22 and name  HB# )  (resid 23 and name  HN  )  3.00  1.20  1.50
assign  (resid 22 and name  HA )  (resid 23 and name  HN  )  2.50  0.70  0.20
assign  (resid 22 and name  HG  )  (resid 23    and name  HN  )  4.00  2.20  1.00
assign  (resid 22 and name  HN )  (resid 23 and name  HN  )  4.00  2.20  2.00
assign  (resid 22 and name  HN )  (resid 30 and name  HA  )  4.00  2.20  2.00
assign  (resid 22 and name  HN )  (resid 31 and name  HN  )  3.00  1.20  0.50
assign  (resid 22 and name  HN )  (resid 32 and name  HA  )  4.00  2.20  2.00
assign  (resid 23 and name  HA )  (resid 24 and name  HN  )  2.50  0.70  0.20
assign  (resid 23 and name  HB1 )  (resid 24    and name  HN  )  4.00  2.20  2.00
assign  (resid 23 and name  HB2 )  (resid 24    and name  HN  )  4.00  2.20  2.00
assign  (resid 23 and name  HN )  (resid 24 and name  HN  )  4.00  2.20  2.00
assign  (resid 23 and name  HB2 )  (resid 25    and name  HA  )  4.00  2.20  2.00
assign  (resid 23 and name  HB1 )  (resid 25    and name  HA  )  4.00  2.20  1.00
assign  (resid 23 and name  HN )  (resid 30 and name  HA  )  4.00  2.20  2.00
assign  (resid 23 and name  HA )  (resid 31 and name  HN  )  4.00  2.20  1.00
assign  (resid 24 and name  HN )  (resid 25 and name  HN  )  4.00  2.20  2.00
assign  (resid 24 and name  HB1 )  (resid 25 and name  HN  )  4.00  2.20  1.00
assign  (resid 24 and name  HA )  (resid 25 and name  HN  )  2.50  0.70  0.20
assign  (resid 24 and name  HA )  (resid 26 and name  HN  )  4.00  2.20  1.00
assign  (resid 24 and name  HB2 )  (resid 27 and name  HD# )  4.00  2.20  3.40
assign  (resid 24 and name  HB1 )  (resid 27    and name  HE# )  4.00  2.20  3.40
assign  (resid 24 and name  HB1 )  (resid 27    and name  HD# )  4.00  2.20  3.40
assign  (resid 24 and name  HB2 )  (resid 27    and name  HE# )  4.00  2.20  3.40
assign  (resid 24 and name  HN )  (resid 28 and name  HN  )  4.00  2.20  2.00
assign  (resid 24 and name  HB2 )  (resid 28 and name  HN  )  4.00  2.20  1.00
assign  (resid 24 and name  HB1 )  (resid 28 and name  HN  )  4.00  2.20  1.00
assign  (resid 24 and name  HN )  (resid 29 and name  HN  )  4.00  2.20  1.00
assign  (resid 24 and name  HB2 )  (resid 29 and name  HN  )  3.00  1.20  0.50
assign  (resid 24 and name  HB1 )  (resid 29 and name  HN  )  4.00  2.20  1.00
assign  (resid 24 and name  HN )  (resid 31 and name  HN  )  4.00  2.20  1.00
assign  (resid 25 and name  HN )  (resid 26 and name  HG  )  4.00  2.20  2.00
assign  (resid 25 and name  HD# )  (resid 26 and name  HN  )  4.00  2.20  3.00
assign  (resid 25 and name  HB# )  (resid 26 and name  HN  )  4.00  2.20  2.00
assign  (resid 25 and name  HA )  (resid 26 and name  HN  )  4.00  2.20  1.00
assign  (resid 25 and name  HN )  (resid 26 and name  HN  )  3.00  1.20  0.50
assign  (resid 25 and name  HN )  (resid 26 and name  HG# )  4.00  2.20  3.00
assign  (resid 26 and name  HB# )  (resid 27 and name  HN  )  4.00  2.20  2.00
assign  (resid 26 and name  HB# )  (resid 27 and name  HN  )  4.00  2.20  2.00
assign  (resid 26 and name  HB# )  (resid 27    and name  HE# )  4.00  2.20  4.40
assign  (resid 26 and name  HB# )  (resid 27    and name  HE# )  4.00  2.20  4.40
assign  (resid 26 and name  HD# )  (resid 27    and name  HE# )  4.00  2.20  7.30
assign  (resid 26 and name  HD# )  (resid 27    and name  HD# )  4.00  2.20  7.30
assign  (resid 26 and name  HD# )  (resid 27    and name  HZ  )  4.00  2.20  4.90
assign  (resid 26 and name  HD# )  (resid 27    and name  HZ  )  4.00  2.20  4.90
assign  (resid 26 and name  HD# )  (resid 27    and name  HD# )  4.00  2.20  6.30
assign  (resid 26 and name  HN )  (resid 27 and name  HN  )  3.00  1.20  0.50
assign  (resid 26 and name  HN )  (resid 27 and name  HB# )  4.00  2.20  3.00
assign  (resid 26 and name  HD# )  (resid 27    and name  HE# )  4.00  2.20  7.30
assign  (resid 26 and name  HA )  (resid 27 and name  HN  )  4.00  2.20  1.00
assign  (resid 26 and name  HN )  (resid 28 and name  HN  )  4.00  2.20  2.00
assign  (resid 27 and name  HB2 )  (resid 28 and name  HN  )  4.00  2.20  1.00
assign  (resid 27 and name  HB1 )  (resid 28 and name  HN  )  4.00  2.20  1.00
assign  (resid 27 and name  HN )  (resid 28 and name  HN  )  2.50  0.70  0.20
assign  (resid 27 and name  HE# )  (resid 28 and name  HN  )  4.00  2.20  4.40
assign  (resid 27 and name  HE# )  (resid 28 and name  HG# )  4.00  2.20  4.40
assign  (resid 27 and name  HB# )  (resid 28    and name  HG# )  4.00  2.20  4.00
assign  (resid 27 and name  HB# )  (resid 28    and name  HG# )  4.00  2.20  4.00
assign  (resid 27 and name  HA  )  (resid 28    and name  HN  )  4.00  2.20  1.00
assign  (resid 27 and name  HN  )  (resid 28    and name  HA  )  4.00  2.20  1.00
assign  (resid 27 and name  HE# )  (resid 29 and name  HN  )  4.00  2.20  4.40
assign  (resid 27 and name  HB# )  (resid 29 and name  HN  )  4.00  2.20  2.00
assign  (resid 27 and name  HB# )  (resid 29 and name  HN  )  4.00  2.20  3.00
assign  (resid 27 and name  HN )  (resid 29 and name  HN  )  4.00  2.20  1.00
assign  (resid 27 and name  HB# )  (resid 29    and name  HD# )  4.00  2.20  5.90
assign  (resid 27 and name  HB# )  (resid 29    and name  HD# )  3.00  1.20  4.40
assign  (resid 27 and name  HB1 )  (resid 29    and name  HD# )  3.00  1.20  3.40
assign  (resid 27 and name  HB2 )  (resid 29    and name  HD# )  3.00  1.20  3.40
assign  (resid 27 and name  HD# )  (resid 29    and name  HB# )  4.00  2.20  5.40
assign  (resid 27 and name  HD# )  (resid 29    and name  HD# )  4.00  2.20  6.30
assign  (resid 27 and name  HZ  )  (resid 29    and name  HD# )  4.00  2.20  4.90
assign  (resid 27 and name  HE# )  (resid 29    and name  HB# )  4.00  2.20  4.40
assign  (resid 27 and name  HE# )  (resid 29    and name  HB# )  4.00  2.20  5.40
assign  (resid 27 and name  HE# )  (resid 29    and name  HD# )  3.00  1.20  5.80
assign  (resid 28 and name  HA )  (resid 29 and name  HN  )  3.00  1.20  0.50
assign  (resid 28 and name  HN )  (resid 29 and name  HN  )  3.00  1.20  0.50
assign  (resid 28 and name  HG# )  (resid 29 and name  HN  )  4.00  2.20  2.00
assign  (resid 29 and name  HD# )  (resid 30 and name  HN  )  4.00  2.20  3.90
assign  (resid 29 and name  HD# )  (resid 30 and name  HN  )  4.00  2.20  4.90
assign  (resid 29 and name  HG# )  (resid 30 and name  HN  )  4.00  2.20  3.00
assign  (resid 29 and name  HB# )  (resid 30 and name  HN  )  3.00  1.20  1.50
assign  (resid 29 and name  HB# )  (resid 30 and name  HN  )  3.00  1.20  1.50
assign  (resid 29 and name  HA )  (resid 30 and name  HN  )  2.50  0.70  0.20
assign  (resid 29 and name  HN )  (resid 30 and name  HN  )  4.00  2.20  2.00
assign  (resid 30 and name  HB1 )  (resid 31 and name  HN  )  4.00  2.20  2.00
assign  (resid 30 and name  HB2 )  (resid 31 and name  HN  )  4.00  2.20  1.00
assign  (resid 30 and name  HA )  (resid 31 and name  HN  )  2.50  0.70  0.20
assign  (resid 30 and name  HN )  (resid 31 and name  HN  )  4.00  2.20  2.00
assign  (resid 31 and name  HB2 )  (resid 32 and name  HN  )  4.00  2.20  1.00
assign  (resid 31 and name  HA )  (resid 32 and name  HN  )  2.50  0.70  0.20
assign  (resid 31 and name  HA )  (resid 32 and name  HD# )  4.00  2.20  4.40
assign  (resid 31 and name  HA )  (resid 32 and name  HE# )  4.00  2.20  4.40
assign  (resid 32 and name  HB# )  (resid 33 and name  HN  )  4.00  2.20  2.00
assign  (resid 32 and name  HB# )  (resid 33 and name  HN  )  4.00  2.20  2.00
assign  (resid 32 and name  HD# )  (resid 33 and name  HN  )  4.00  2.20  3.40
assign  (resid 32 and name  HN )  (resid 33 and name  HN  )  4.00  2.20  1.00
assign  (resid 32 and name  HA )  (resid 33 and name  HN  )  3.00  1.20  0.50
assign  (resid 32 and name  HB# )  (resid 34 and name  HN  )  4.00  2.20  2.00
assign  (resid 33 and name  HB1 )  (resid 34 and name  HN  )  4.00  2.20  2.00
assign  (resid 33 and name  HA )  (resid 34 and name  HN  )  3.00  1.20  0.50
assign  (resid 33 and name  HB2 )  (resid 34    and name  HN  )  4.00  2.20  2.00
assign  (resid 33 and name  HN )  (resid 34 and name  HN  )  4.00  2.20  1.00
assign  (resid 34 and name  HA )  (resid 35 and name  HN  )  4.00  2.20  1.00
assign  (resid 34 and name  HB# )  (resid 35 and name  HN  )  2.50  0.70  1.20

set message=on echo=on end

!gsmtx-4 intraresidue1 noe
set message=off echo=off end
 
assign  (resid  2 and name  HA )  (resid  2 and name  HB# )  3.00  1.20  1.10
assign  (resid  2 and name  HN )  (resid  2 and name  HB1 )  3.00  1.20  0.50
assign  (resid  2 and name  HN )  (resid  2    and name  HB2 )  4.00  2.20  1.00
assign  (resid  2 and name  HN )  (resid  2 and name  HA  )  3.00  1.20  0.50
assign  (resid  3 and name  HA )  (resid  3 and name  HD# )  3.00  1.20  2.00
assign  (resid  3 and name  HB# )  (resid  3 and name  HD# )  3.00  1.20  1.60
assign  (resid  3 and name  HG )  (resid  3 and name  HD# )  2.50  0.70  1.30
assign  (resid  3 and name  HA )  (resid  3 and name  HB2 )  4.00  2.20  1.00
assign  (resid  3 and name  HA )  (resid  3 and name  HB1 )  4.00  2.20  1.00
assign  (resid  3 and name  HA )  (resid  3 and name  HG  )  4.00  2.20  1.00
assign  (resid  3 and name  HN )  (resid  3    and name  HA  )  4.00  2.20  1.00
assign  (resid  3 and name  HA  )  (resid  3    and name  HD# )  3.00  1.20  2.00
assign  (resid  3 and name  HB# )  (resid  3 and name  HD# )  4.00  2.20  2.10
assign  (resid  3 and name  HG )  (resid  3 and name  HN  )  4.00  2.20  1.00
assign  (resid  3 and name  HN )  (resid  3 and name  HB1 )  3.00  1.20  0.50
assign  (resid  3 and name  HN )  (resid  3 and name  HG  )  3.00  1.20  0.50
assign  (resid  3 and name  HN  )  (resid  3    and name  HB2 )  4.00  2.20  1.00
assign  (resid  3 and name  HN  )  (resid  3    and name  HD# )  4.00  2.20  2.50
assign  (resid  4 and name  HA  )  (resid  4    and name  HN  )  4.00  2.20  2.00
assign  (resid  4 and name  HN )  (resid  4 and name  HB# )  3.00  1.20  1.10
assign  (resid  4 and name  HA  )  (resid  4    and name  HG# )  3.00  1.20  1.10
assign  (resid  4 and name  HB# )  (resid  4    and name  HG# )  2.50  0.70  0.80
assign  (resid  4 and name  HA  )  (resid  4 and name  HB# )  3.00  1.20  1.10
assign  (resid  4 and name  HN  )  (resid  4    and name  HG# )  3.00  1.20  1.50
assign  (resid  5 and name  HN )  (resid  5 and name  HB# )  2.50  0.70  0.80
assign  (resid  5 and name  HN )  (resid  5 and name  HA  )  3.00  1.20  0.50
assign  (resid  5 and name  HB# )  (resid  5 and name  HD# )  2.50  0.70  2.20
assign  (resid  5 and name  HA )  (resid  5 and name  HD# )  3.00  1.20  2.50
assign  (resid  5 and name  HA )  (resid  5    and name  HB# )  4.00  2.20  1.60
assign  (resid  6 and name  HN )  (resid  6 and name  HB# )  4.00  2.20  1.60
assign  (resid  6 and name  HN )  (resid  6 and name  HE3 )  4.00  2.20  1.00
assign  (resid  6 and name  HN )  (resid  6 and name  HA  )  3.00  1.20  0.50
assign  (resid  6 and name  HD1 )  (resid  6 and name  HB# )  4.00  2.20  2.00
assign  (resid  6 and name  HD1 )  (resid  6    and name  HB# )  3.00  1.20  1.50
assign  (resid  6 and name  HD1 )  (resid  6    and name  HA  )  4.00  2.20  1.00
assign  (resid  6 and name  HE3 )  (resid  6 and name  HA  )  3.00  1.20  0.50
assign  (resid  6 and name  HA )  (resid  6 and name  HB# )  3.00  1.20  1.10
assign  (resid  6 and name  HB# )  (resid  6    and name  HE3 )  3.00  1.20  1.50
assign  (resid  6 and name  HB# )  (resid  6    and name  HE3 )  4.00  2.20  2.00
assign  (resid  7 and name  HE1 )  (resid  7 and name  HA  )  4.00  2.20  2.00
assign  (resid  7 and name  HN )  (resid  7 and name  HB# )  2.50  0.70  0.80
assign  (resid  7 and name  HN )  (resid  7    and name  HA  )  3.00  1.20  0.50
assign  (resid  7 and name  HD1 )  (resid  7 and name  HB# )  3.00  1.20  1.10
assign  (resid  7 and name  HN )  (resid  7 and name  HD1 )  3.00  1.20  0.50
assign  (resid  7 and name  HA  )  (resid  7    and name  HD1 )  4.00  2.20  1.00
assign  (resid  7 and name  HA )  (resid  7 and name  HB# )  3.00  1.20  1.10
assign  (resid  8 and name  HN )  (resid  8 and name  HG# )  3.00  1.20  1.50
assign  (resid  8 and name  HN )  (resid  8 and name  HG# )  4.00  2.20  2.00
assign  (resid  8 and name  HN )  (resid  8 and name  HB# )  3.00  1.20  1.10
assign  (resid  8 and name  HN )  (resid  8 and name  HA  )  3.00  1.20  0.50
assign  (resid  8 and name  HA )  (resid  8 and name  HB# )  3.00  1.20  1.10
assign  (resid  8 and name  HA )  (resid  8 and name  HG# )  4.00  2.20  2.00
assign  (resid  8 and name  HD# )  (resid  8 and name  HE# )  2.50  0.70  0.80
assign  (resid  9 and name  HN )  (resid  9 and name  HB# )  4.00  2.20  1.60
assign  (resid  9 and name  HN )  (resid  9 and name  HA  )  3.00  1.20  0.50
assign  (resid  9 and name  HA )  (resid  9    and name  HB# )  3.00  1.20  0.50
assign  (resid  9 and name  HA )  (resid  9 and name  HG# )  4.00  2.20  3.00
assign  (resid 10 and name  HN )  (resid 10 and name  HB# )  3.00  1.20  1.10
assign  (resid 10 and name  HN )  (resid 10 and name  HA  )  4.00  2.20  1.00
assign  (resid 10 and name  HD2#)  (resid 10 and name  HB# )  3.00  1.20  1.50
assign  (resid 10 and name  HD2#)  (resid 10 and name  HB# )  4.00  2.20  2.00
assign  (resid 10 and name  HA )  (resid 10 and name  HD2#)  4.00  2.20  3.00
assign  (resid 10 and name  HA )  (resid 10 and name  HB# )  3.00  1.20  1.10
assign  (resid 10 and name  HA )  (resid 10 and name  HB# )  4.00  2.20  1.60
assign  (resid 11 and name  HA )  (resid 11 and name  HB# )  4.00  2.20  1.60
assign  (resid 11 and name  HB# )  (resid 11    and name  HG# )  2.50  0.70  0.80
assign  (resid 11 and name  HA )  (resid 11 and name  HB# )  3.00  1.20  1.10
assign  (resid 11 and name  HA )  (resid 11 and name  HD# )  3.00  1.20  1.50
assign  (resid 11 and name  HB# )  (resid 11 and name  HD# )  4.00  2.20  2.00
assign  (resid 11 and name  HD# )  (resid 11 and name  HG# )  3.00  1.20  1.10
assign  (resid 11 and name  HA  )  (resid 11    and name  HG# )  4.00  2.20  1.60
assign  (resid 12 and name  HN )  (resid 12 and name  HB2 )  3.00  1.20  0.50
assign  (resid 12 and name  HN )  (resid 12 and name  HB1 )  4.00  2.20  1.00
assign  (resid 12 and name  HN )  (resid 12 and name  HA  )  3.00  1.20  0.50
assign  (resid 12 and name  HB# )  (resid 12    and name  HD2#)  4.00  2.20  2.60
assign  (resid 12 and name  HB# )  (resid 12 and name  HD2#)  3.00  1.20  1.10
assign  (resid 12 and name  HA )  (resid 12 and name  HB1 )  3.00  1.20  0.50
assign  (resid 12 and name  HA )  (resid 12 and name  HB2 )  3.00  1.20  0.50
assign  (resid 13 and name  HN )  (resid 13 and name  HB# )  3.00  1.20  1.10
assign  (resid 13 and name  HA )  (resid 13 and name  HN  )  3.00  1.20  0.50
assign  (resid 13 and name  HA )  (resid 13 and name  HB# )  2.50  0.70  0.80
assign  (resid 14 and name  HN )  (resid 14 and name  HB# )  2.50  0.70  0.80
assign  (resid 14 and name  HN )  (resid 14 and name  HA  )  3.00  1.20  0.50
assign  (resid 14 and name  HA )  (resid 14    and name  HB# )  3.00  1.20  1.10
assign  (resid 14 and name  HA )  (resid 14 and name  HB# )  4.00  2.20  1.60
assign  (resid 15 and name  HN )  (resid 15 and name  HG# )  4.00  2.20  2.00
assign  (resid 15 and name  HN )  (resid 15 and name  HD# )  4.00  2.20  2.00
assign  (resid 15 and name  HN )  (resid 15 and name  HA  )  3.00  1.20  0.50
assign  (resid 15 and name  HA )  (resid 15 and name  HB# )  3.00  1.20  1.10
assign  (resid 15 and name  HA )  (resid 15 and name  HG# )  3.00  1.20  1.50
assign  (resid 15 and name  HA )  (resid 15 and name  HD# )  4.00  2.20  2.00
assign  (resid 15 and name  HN  )  (resid 15    and name  HB# )  3.00  1.20  1.10
assign  (resid 15 and name  HB# )  (resid 15 and name  HG# )  2.50  0.70  0.80
assign  (resid 15 and name  HG# )  (resid 15 and name  HD# )  4.00  2.20  2.00
assign  (resid 16 and name  HA )  (resid 16 and name  HB# )  3.00  1.20  1.10
assign  (resid 16 and name  HN )  (resid 16 and name  HA  )  3.00  1.20  0.50
assign  (resid 16 and name  HN )  (resid 16 and name  HB# )  2.50  0.70  0.80
assign  (resid 17 and name  HA )  (resid 17 and name  HB2 )  4.00  2.20  1.00
assign  (resid 17 and name  HA )  (resid 17 and name  HB1 )  3.00  1.20  0.50
assign  (resid 17 and name  HN )  (resid 17    and name  HA  )  3.00  1.20  0.50
assign  (resid 17 and name  HN )  (resid 17 and name  HB2 )  3.00  1.20  0.50
assign  (resid 17 and name  HN )  (resid 17 and name  HB1 )  3.00  1.20  0.50
assign  (resid 18 and name  HN  )  (resid 18    and name  HB# )  3.00  1.20  1.10
assign  (resid 18 and name  HN )  (resid 18 and name  HG# )  4.00  2.20  2.00
assign  (resid 18 and name  HN )  (resid 18    and name  HD# )  4.00  2.20  3.00
assign  (resid 18 and name  HN )  (resid 18    and name  HA  )  3.00  1.20  0.50
assign  (resid 18 and name  HE )  (resid 18 and name  HB# )  4.00  2.20  1.60
assign  (resid 18 and name  HE )  (resid 18 and name  HG# )  4.00  2.20  2.60
assign  (resid 18 and name  HE )  (resid 18 and name  HD# )  4.00  2.20  1.60
assign  (resid 18 and name  HA )  (resid 18    and name  HD# )  4.00  2.20  2.00
assign  (resid 18 and name  HA  )  (resid 18    and name  HG# )  4.00  2.20  2.00
assign  (resid 18 and name  HA )  (resid 18 and name  HB# )  3.00  1.20  1.10
assign  (resid 18 and name  HD# )  (resid 18 and name  HG# )  4.00  2.20  2.60
assign  (resid 19 and name  HA )  (resid 19 and name  HB# )  3.00  1.20  1.10
assign  (resid 19 and name  HB# )  (resid 19    and name  HD# )  4.00  2.20  2.00
assign  (resid 19 and name  HB# )  (resid 19    and name  HD# )  4.00  2.20  3.00
assign  (resid 19 and name  HG# )  (resid 19 and name  HD# )  3.00  1.20  1.10
assign  (resid 19 and name  HG# )  (resid 19 and name  HD# )  4.00  2.20  1.60
assign  (resid 19 and name  HB# )  (resid 19 and name  HG# )  3.00  1.20  1.10
assign  (resid 20 and name  HN )  (resid 20 and name  HG# )  4.00  2.20  2.00
assign  (resid 20 and name  HN )  (resid 20 and name  HD# )  4.00  2.20  2.00
assign  (resid 20 and name  HN )  (resid 20    and name  HB# )  3.00  1.20  1.10
assign  (resid 20 and name  HN )  (resid 20 and name  HA  )  3.00  1.20  0.50
assign  (resid 20 and name  HA )  (resid 20    and name  HB# )  2.50  0.70  0.80
assign  (resid 20 and name  HA )  (resid 20 and name  HD# )  4.00  2.20  2.00
assign  (resid 20 and name  HA )  (resid 20 and name  HG# )  4.00  2.20  2.00
assign  (resid 20 and name  HB# )  (resid 20 and name  HG# )  2.50  0.70  0.80
assign  (resid 20 and name  HB# )  (resid 20 and name  HD# )  3.00  1.20  1.10
assign  (resid 20 and name  HA )  (resid 20 and name  HG# )  4.00  2.20  2.00
assign  (resid 21 and name  HN )  (resid 21 and name  HD# )  4.00  2.20  2.50
assign  (resid 21 and name  HN )  (resid 21 and name  HB# )  3.00  1.20  1.50
assign  (resid 21 and name  HN )  (resid 21 and name  HG  )  4.00  2.20  1.00
assign  (resid 21 and name  HN )  (resid 21 and name  HB# )  4.00  2.20  2.00
assign  (resid 21 and name  HN )  (resid 21 and name  HA  )  4.00  2.20  1.00
assign  (resid 21 and name  HA )  (resid 21 and name  HB# )  3.00  1.20  1.10
assign  (resid 21 and name  HA )  (resid 21 and name  HB# )  4.00  2.20  1.60
assign  (resid 21 and name  HA )  (resid 21 and name  HG  )  4.00  2.20  1.00
assign  (resid 21 and name  HA )  (resid 21 and name  HD# )  4.00  2.20  4.20
assign  (resid 21 and name  HA )  (resid 21 and name  HD# )  2.50  0.70  2.40
assign  (resid 21 and name  HB# )  (resid 21 and name  HG  )  4.00  2.20  1.60
assign  (resid 21 and name  HB2 )  (resid 21 and name  HD# )  2.50  0.70  1.30
assign  (resid 21 and name  HB# )  (resid 21 and name  HD# )  4.00  2.20  3.10
assign  (resid 21 and name  HB# )  (resid 21 and name  HD# )  4.00  2.20  2.10
assign  (resid 21 and name  HB# )  (resid 21 and name  HG  )  4.00  2.20  1.60
assign  (resid 21 and name  HG )  (resid 21 and name  HD# )  2.50  0.70  1.30
assign  (resid 21 and name  HB# )  (resid 21    and name  HD# )  3.00  1.20  1.60
assign  (resid 22 and name  HN )  (resid 22 and name  HB# )  3.00  1.20  1.10
assign  (resid 22 and name  HN )  (resid 22 and name  HA  )  3.00  1.20  0.50
assign  (resid 22 and name  HZ# )  (resid 22    and name  HG# )  4.00  2.20  3.00
assign  (resid 22 and name  HD# )  (resid 22 and name  HZ# )  4.00  2.20  2.00
assign  (resid 22 and name  HA )  (resid 22 and name  HB# )  3.00  1.20  1.10
assign  (resid 22 and name  HN  )  (resid 22    and name  HG# )  4.00  2.20  3.00
assign  (resid 22 and name  HA )  (resid 22 and name  HG# )  4.00  2.20  2.00
assign  (resid 22 and name  HA )  (resid 22 and name  HD# )  4.00  2.20  2.00
assign  (resid 23 and name  HN )  (resid 23 and name  HB1 )  3.00  1.20  0.50
assign  (resid 23 and name  HN )  (resid 23 and name  HB2 )  2.50  0.70  0.20
assign  (resid 23 and name  HN )  (resid 23 and name  HA  )  4.00  2.20  1.00
assign  (resid 23 and name  HA )  (resid 23    and name  HB1 )  3.00  1.20  0.50
assign  (resid 23 and name  HA )  (resid 23 and name  HB2 )  4.00  2.20  1.00
assign  (resid 24 and name  HN )  (resid 24 and name  HB2 )  3.00  1.20  0.50
assign  (resid 24 and name  HN )  (resid 24 and name  HB1 )  3.00  1.20  0.50
assign  (resid 24 and name  HN )  (resid 24    and name  HA  )  3.00  1.20  0.50
assign  (resid 24 and name  HA )  (resid 24 and name  HB1 )  4.00  2.20  1.00
assign  (resid 24 and name  HA )  (resid 24    and name  HB2 )  4.00  2.20  1.00
assign  (resid 25 and name  HN )  (resid 25 and name  HG# )  4.00  2.20  2.00
assign  (resid 25 and name  HN )  (resid 25 and name  HG# )  3.00  1.20  1.50
assign  (resid 25 and name  HN )  (resid 25 and name  HD# )  4.00  2.20  3.00
assign  (resid 25 and name  HN )  (resid 25 and name  HB# )  2.50  0.70  0.80
assign  (resid 25 and name  HN )  (resid 25    and name  HA  )  3.00  1.20  0.50
assign  (resid 25 and name  HA )  (resid 25 and name  HB# )  3.00  1.20  1.10
assign  (resid 25 and name  HA )  (resid 25 and name  HD# )  4.00  2.20  2.00
assign  (resid 25 and name  HA )  (resid 25 and name  HG# )  4.00  2.20  2.00
assign  (resid 25 and name  HB# )  (resid 25 and name  HG# )  2.50  0.70  0.80
assign  (resid 26 and name  HN )  (resid 26 and name  HD# )  4.00  2.20  3.50
assign  (resid 26 and name  HN )  (resid 26    and name  HB# )  3.00  1.20  1.10
assign  (resid 26 and name  HN )  (resid 26 and name  HA  )  3.00  1.20  0.50
assign  (resid 26 and name  HA )  (resid 26    and name  HB# )  3.00  1.20  1.10
assign  (resid 26 and name  HA )  (resid 26 and name  HG  )  4.00  2.20  1.00
assign  (resid 26 and name  HA )  (resid 26 and name  HD# )  3.00  1.20  2.00
assign  (resid 26 and name  HD# )  (resid 26 and name  HG  )  3.00  1.20  1.60
assign  (resid 26 and name  HB# )  (resid 26 and name  HD# )  4.00  2.20  2.10
assign  (resid 26 and name  HN  )  (resid 26    and name  HG  )  4.00  2.20  1.00
assign  (resid 26 and name  HA  )  (resid 26    and name  HD# )  4.00  2.20  2.50
assign  (resid 27 and name  HB2 )  (resid 27 and name  HD# )  4.00  2.20  2.00
assign  (resid 27 and name  HN )  (resid 27 and name  HB# )  3.00  1.20  1.10
assign  (resid 27 and name  HN )  (resid 27    and name  HB# )  4.00  2.20  1.60
assign  (resid 27 and name  HN )  (resid 27 and name  HA  )  3.00  1.20  0.50
assign  (resid 27 and name  HA )  (resid 27    and name  HD# )  4.00  2.20  3.00
assign  (resid 27 and name  HB# )  (resid 27 and name  HE# )  3.00  1.20  2.50
assign  (resid 27 and name  HE# )  (resid 27 and name  HA  )  4.00  2.20  3.00
assign  (resid 27 and name  HA )  (resid 27 and name  HB1 )  3.00  1.20  0.50
assign  (resid 27 and name  HA )  (resid 27    and name  HB2 )  3.00  1.20  0.50
assign  (resid 28 and name  HN )  (resid 28 and name  HG# )  3.00  1.20  1.50
assign  (resid 28 and name  HN )  (resid 28 and name  HB1 )  4.00  2.20  1.00
assign  (resid 28 and name  HN )  (resid 28 and name  HB2 )  4.00  2.20  1.00
assign  (resid 28 and name  HN )  (resid 28    and name  HA  )  2.50  0.70  0.20
assign  (resid 28 and name  HA )  (resid 28 and name  HB# )  2.50  0.70  0.80
assign  (resid 28 and name  HA )  (resid 28    and name  HG# )  2.50  0.70  1.20
assign  (resid 28 and name  HB# )  (resid 28 and name  HG# )  2.50  0.70  0.80
assign  (resid 29 and name  HN )  (resid 29 and name  HD# )  4.00  2.20  3.20
assign  (resid 29 and name  HN )  (resid 29    and name  HB# )  4.00  2.20  1.60
assign  (resid 29 and name  HN )  (resid 29 and name  HG  )  4.00  2.20  1.00
assign  (resid 29 and name  HN )  (resid 29    and name  HA  )  4.00  2.20  1.00
assign  (resid 29 and name  HA )  (resid 29 and name  HG  )  4.00  2.20  1.00
assign  (resid 29 and name  HA )  (resid 29 and name  HB# )  3.00  1.20  1.10
assign  (resid 29 and name  HA )  (resid 29 and name  HD# )  2.50  0.70  2.40
assign  (resid 29 and name  HA )  (resid 29 and name  HD# )  4.00  2.20  3.20
assign  (resid 29 and name  HB# )  (resid 29 and name  HG  )  3.00  1.20  1.10
assign  (resid 29 and name  HB# )  (resid 29 and name  HG  )  4.00  2.20  1.60
assign  (resid 29 and name  HG )  (resid 29 and name  HD# )  2.50  0.70  1.30
assign  (resid 29 and name  HB# )  (resid 29 and name  HD# )  3.00  1.20  2.00
assign  (resid 29 and name  HB# )  (resid 29 and name  HD# )  2.50  0.70  1.70
assign  (resid 30 and name  HN )  (resid 30 and name  HB# )  2.50  0.70  0.80
assign  (resid 30 and name  HN )  (resid 30 and name  HA  )  3.00  1.20  0.50
assign  (resid 30 and name  HA )  (resid 30    and name  HB# )  4.00  2.20  1.60
assign  (resid 30 and name  HA )  (resid 30 and name  HB# )  3.00  1.20  1.10
assign  (resid 31 and name  HN )  (resid 31 and name  HB1 )  4.00  2.20  1.00
assign  (resid 31 and name  HN )  (resid 31 and name  HB2 )  4.00  2.20  1.00
assign  (resid 31 and name  HA  )  (resid 31    and name  HD2#)  4.00  2.20  3.00
assign  (resid 31 and name  HN )  (resid 31 and name  HA  )  4.00  2.20  1.00
assign  (resid 31 and name  HB# )  (resid 31    and name  HD2#)  3.00  1.20  1.50
assign  (resid 31 and name  HB# )  (resid 31 and name  HD2#)  4.00  2.20  2.00
assign  (resid 31 and name  HA )  (resid 31 and name  HB1 )  3.00  1.20  0.50
assign  (resid 31 and name  HA )  (resid 31 and name  HB2 )  4.00  2.20  1.00
assign  (resid 32 and name  HN )  (resid 32 and name  HB# )  3.00  1.20  1.10
assign  (resid 32 and name  HN )  (resid 32 and name  HB# )  2.50  0.70  0.80
assign  (resid 32 and name  HN )  (resid 32 and name  HA  )  3.00  1.20  0.50
assign  (resid 32 and name  HB# )  (resid 32 and name  HD# )  3.00  1.20  2.50
assign  (resid 32 and name  HA )  (resid 32    and name  HD# )  3.00  1.20  2.50
assign  (resid 32 and name  HN )  (resid 32 and name  HD# )  4.00  2.20  3.40
assign  (resid 32 and name  HD# )  (resid 32 and name  HZ  )  4.00  2.20  3.00
assign  (resid 32 and name  HA )  (resid 32 and name  HB# )  4.00  2.20  1.60
assign  (resid 32 and name  HA )  (resid 32 and name  HB# )  3.00  1.20  1.10
assign  (resid 33 and name  HN )  (resid 33 and name  HB1 )  3.00  1.20  0.50
assign  (resid 33 and name  HN )  (resid 33 and name  HB2 )  4.00  2.20  1.00
assign  (resid 33 and name  HN )  (resid 33    and name  HA  )  3.00  1.20  0.50
assign  (resid 33 and name  HA )  (resid 33 and name  HB1 )  4.00  2.20  1.00
assign  (resid 33 and name  HA )  (resid 33    and name  HB2 )  4.00  2.20  1.00
assign  (resid 34 and name  HN )  (resid 34 and name  HA  )  4.00  2.20  1.00
assign  (resid 34 and name  HN )  (resid 34    and name  HB1 )  4.00  2.20  1.00
assign  (resid 34 and name  HN )  (resid 34 and name  HB2 )  4.00  2.20  1.00
assign  (resid 35 and name  HN )  (resid 35 and name  HA  )  2.50  0.70  0.20

set message=on echo=on end

!gsmtx-4 

restraints
  dihedral
 
  reset

assign (resid 7 and name c ) (resid 8 and name n ) 
(resid 8 and name ca ) (resid 8 and name c ) 1 -65.0 25.0 2 
assign (resid 29 and name c ) (resid 30 and name n ) 
(resid 30 and name ca ) (resid 30 and name c ) 1 -65.0 25.0 2 
assign (resid 8 and name c ) (resid 9 and name n ) 
(resid 9 and name ca ) (resid 9 and name c ) 1 -120.0 40.0 2 
assign (resid 9 and name c ) (resid 10 and name n ) 
(resid 10 and name ca ) (resid 10 and name c ) 1 -120.0 40.0 2 
assign (resid 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 15 and name c ) (resid 16 and name n )
(resid 16 and name ca ) (resid 16 and name c ) 1 -65.0 25.0 2
assign (resid 16 and name c ) (resid 17 and name n )
(resid 17 and name ca ) (resid 17 and name c ) 1 -65.0 25.0 2
assign (resid 24 and name c ) (resid 25 and name n )
(resid 25 and name ca ) (resid 25 and name c ) 1 -65.0 25.0 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 20 and name c ) (resid 21 and name n ) 
(resid 21 and name ca ) (resid 21 and name c ) 1 -120.0 40.0 2 
assign (resid 6 and name c ) (resid 7 and name n ) 
(resid 7 and name ca ) (resid 7 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 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 11 and name c ) (resid 12 and name n )
(resid 12 and name ca ) (resid 12 and name c ) 1 -120.0 40.0 2
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca ) (resid 22 and name c ) 1 -120.0 40.0 2
assign (resid  3 and name n ) (resid  3 and name ca )
(resid  3 and name cb ) (resid  3 and name cg ) 1 -60.0 30.0 2
assign (resid 12 and name n ) (resid 12 and name ca )
(resid 12 and name cb ) (resid 12 and name cg ) 1 180.0 30.0 2
assign (resid 17 and name n ) (resid 17 and name ca )
(resid 17 and name cb ) (resid 17 and name sg ) 1 -60.0 30.0 2
assign (resid 23 and name n ) (resid 23 and name ca )
(resid 23 and name cb ) (resid 23 and name sg ) 1 180.0 30.0 2
assign (resid 24 and name n ) (resid 24 and name ca )
(resid 24 and name cb ) (resid 24 and name cg ) 1 180.0 30.0 2
assign (resid 31 and name n ) (resid 31 and name ca )
(resid 31 and name cb ) (resid 31 and name cg ) 1 180.0 30.0 2
assign (resid 33 and name n ) (resid 33 and name ca )
(resid 33 and name cb ) (resid 33 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  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 30 and name n ) (resid 30 and name ca )
(resid 30 and name cb ) (resid 30 and name sg ) 1 60.0 30.0 2

end

!gsmtx-4 hydrogenbond NOEs
set message=off echo=off end
 
assi (resid 22 and name O ) (resid 31 and name HN ) 2.00 0.20 0.30
assi (resid 22 and name O ) (resid 31 and name N ) 3.00 0.20 0.30
assi (resid 31 and name O ) (resid 22 and name HN ) 2.00 0.20 0.30 
assi (resid 31 and name O ) (resid 22 and name N ) 3.00 0.20 0.30
assi (resid 24 and name O ) (resid 29 and name HN ) 2.00 0.20 0.30
assi (resid 24 and name O ) (resid 29 and name N ) 3.00 0.20 0.30
assi (resid 28 and name O ) (resid  9 and name HN ) 2.00 0.20 0.30
assi (resid 28 and name O ) (resid  9 and name N ) 3.00 0.20 0.30
assi (resid 30 and name O ) (resid  7 and name HN ) 2.00 0.20 0.30
assi (resid 30 and name O ) (resid  7 and name N ) 3.00 0.20 0.30
assi (resid  7 and name O ) (resid 30 and name HN ) 2.00 0.20 0.30
assi (resid  7 and name O ) (resid 30 and name N ) 3.00 0.20 0.30

set message=on echo=on end

!gsmtx-4 s-sbond 
set message=off echo=off end 

assign (resid 2 and name sg ) (resid 17 and name sg ) 2.02 0.02 0.02 
assign (resid 2 and name cb ) (resid 17 and name sg ) 2.99 0.50 0.50 
assign (resid 2 and name sg ) (resid 17 and name cb ) 2.99 0.50 0.50 
assign (resid 9 and name sg ) (resid 23 and name sg ) 2.02 0.02 0.02 
assign (resid 9 and name cb ) (resid 23 and name sg ) 2.99 0.50 0.50 
assign (resid 9 and name sg ) (resid 23 and name cb ) 2.99 0.50 0.50 
assign (resid 16 and name sg ) (resid 30 and name sg ) 2.02 0.02 0.02 
assign (resid 16 and name cb ) (resid 30 and name sg ) 2.99 0.50 0.50 
assign (resid 16 and name sg ) (resid 30 and name cb ) 2.99 0.50 0.50 

set message=on echo=on end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1  -8.354   6.148  -4.633
    2   2H    GLY   1          2HT       GLY   1  -7.533   7.632  -4.725
    3   3H    GLY   1          3HT       GLY   1  -9.127   7.576  -4.142
    4   1HA   GLY   1          2HA       GLY   1  -7.033   7.686  -2.540
    5   2HA   GLY   1          1HA       GLY   1  -8.529   6.861  -2.098
    6    H    CYS   2           H        CYS   2  -5.585   6.303  -1.488
    7    HA   CYS   2           HA       CYS   2  -5.616   3.436  -2.343
    8   1HB   CYS   2          2HB       CYS   2  -3.055   3.795  -2.252
    9   2HB   CYS   2          1HB       CYS   2  -3.919   4.468  -3.627
   10    H    LEU   3           H        LEU   3  -3.678   2.378  -0.863
   11    HA   LEU   3           HA       LEU   3  -4.661   2.625   1.898
   12   1HB   LEU   3          2HB       LEU   3  -2.431   0.914   0.770
   13   2HB   LEU   3          1HB       LEU   3  -3.418   0.591   2.189
   14    HG   LEU   3           HG       LEU   3  -4.291   0.558  -0.706
   15   1HD1  LEU   3          1HD1      LEU   3  -3.610  -1.433   1.339
   16   2HD1  LEU   3          2HD1      LEU   3  -3.733  -1.618  -0.411
   17   3HD1  LEU   3          3HD1      LEU   3  -5.181  -1.720   0.591
   18   1HD2  LEU   3          1HD2      LEU   3  -5.816   1.074   1.759
   19   2HD2  LEU   3          2HD2      LEU   3  -6.458  -0.256   0.795
   20   3HD2  LEU   3          3HD2      LEU   3  -6.275   1.345   0.077
   21    H    GLU   4           H        GLU   4  -2.057   1.834   3.033
   22    HA   GLU   4           HA       GLU   4  -0.783   4.538   3.109
   23   1HB   GLU   4          2HB       GLU   4  -1.497   2.460   5.008
   24   2HB   GLU   4          1HB       GLU   4   0.217   2.858   5.139
   25   1HG   GLU   4          2HG       GLU   4  -1.321   4.274   6.578
   26   2HG   GLU   4          1HG       GLU   4  -0.266   5.185   5.496
   27    H    PHE   5           H        PHE   5   1.719   4.026   3.932
   28    HA   PHE   5           HA       PHE   5   2.962   2.805   1.575
   29   1HB   PHE   5          2HB       PHE   5   4.550   4.322   2.135
   30   2HB   PHE   5          1HB       PHE   5   3.507   4.826   3.457
   31    HD1  PHE   5           1HD      PHE   5   6.663   3.425   2.581
   32    HD2  PHE   5           2HD      PHE   5   3.676   3.437   5.667
   33    HE1  PHE   5           1HE      PHE   5   8.340   2.593   4.206
   34    HE2  PHE   5           2HE      PHE   5   5.354   2.605   7.294
   35    HZ   PHE   5           HZ       PHE   5   7.686   2.183   6.563
   36    H    TRP   6           H        TRP   6   1.576   1.303   4.050
   37    HA   TRP   6           HA       TRP   6   3.375  -1.017   3.909
   38   1HB   TRP   6          2HB       TRP   6   4.349   0.564   5.613
   39   2HB   TRP   6          1HB       TRP   6   2.851   0.434   6.532
   40    HD1  TRP   6           HD       TRP   6   2.706  -1.491   8.212
   41    HE1  TRP   6           1HE      TRP   6   4.101  -3.609   8.690
   42    HE3  TRP   6           3HE      TRP   6   5.908  -1.322   4.265
   43    HZ2  TRP   6           2HZ      TRP   6   6.298  -5.044   7.535
   44    HZ3  TRP   6           3HZ      TRP   6   7.649  -3.070   3.965
   45    HH2  TRP   6           HH       TRP   6   7.845  -4.929   5.596
   46    H    TRP   7           H        TRP   7   0.643  -0.682   3.148
   47    HA   TRP   7           HA       TRP   7  -0.898  -2.011   5.332
   48   1HB   TRP   7          2HB       TRP   7  -1.431  -0.253   3.016
   49   2HB   TRP   7          1HB       TRP   7  -2.631  -1.522   3.263
   50    HD1  TRP   7           HD       TRP   7  -0.790  -0.127   6.263
   51    HE1  TRP   7           1HE      TRP   7  -2.441   1.217   7.718
   52    HE3  TRP   7           3HE      TRP   7  -4.840  -0.055   3.157
   53    HZ2  TRP   7           2HZ      TRP   7  -5.129   2.194   7.578
   54    HZ3  TRP   7           3HZ      TRP   7  -6.929   1.088   3.839
   55    HH2  TRP   7           HH       TRP   7  -7.079   2.212   6.043
   56    H    LYS   8           H        LYS   8  -2.164  -3.949   4.750
   57    HA   LYS   8           HA       LYS   8  -0.780  -6.029   3.513
   58   1HB   LYS   8          2HB       LYS   8  -3.770  -5.716   3.229
   59   2HB   LYS   8          1HB       LYS   8  -2.855  -7.186   3.526
   60   1HG   LYS   8          2HG       LYS   8  -2.148  -5.681   5.701
   61   2HG   LYS   8          1HG       LYS   8  -3.815  -5.161   5.443
   62   1HD   LYS   8          2HD       LYS   8  -3.976  -7.901   5.100
   63   2HD   LYS   8          1HD       LYS   8  -2.794  -7.738   6.401
   64   1HE   LYS   8          2HE       LYS   8  -4.677  -5.909   7.189
   65   2HE   LYS   8          1HE       LYS   8  -5.693  -7.143   6.418
   66   1HZ   LYS   8          1HZ       LYS   8  -3.512  -8.144   8.054
   67   2HZ   LYS   8          2HZ       LYS   8  -5.112  -8.700   7.919
   68   3HZ   LYS   8          3HZ       LYS   8  -4.753  -7.366   8.907
   69    H    CYS   9           H        CYS   9  -0.992  -6.970   1.328
   70    HA   CYS   9           HA       CYS   9  -2.261  -5.333  -0.763
   71   1HB   CYS   9          2HB       CYS   9  -0.086  -4.869  -1.881
   72   2HB   CYS   9          1HB       CYS   9  -0.188  -4.117  -0.288
   73    H    ASN  10           H        ASN  10  -1.574  -6.252  -2.988
   74    HA   ASN  10           HA       ASN  10  -0.684  -9.046  -3.038
   75   1HB   ASN  10          2HB       ASN  10  -3.413  -8.366  -2.614
   76   2HB   ASN  10          1HB       ASN  10  -3.289  -8.957  -4.272
   77   1HD2  ASN  10          1HD2      ASN  10  -2.489 -11.179  -4.589
   78   2HD2  ASN  10          2HD2      ASN  10  -2.483 -12.291  -3.308
   79    HA   PRO  11           HA       PRO  11   0.569  -7.192  -6.895
   80   1HB   PRO  11          2HB       PRO  11   1.599  -9.505  -7.989
   81   2HB   PRO  11          1HB       PRO  11   2.469  -8.503  -6.808
   82   1HG   PRO  11          2HG       PRO  11   0.841 -10.973  -6.349
   83   2HG   PRO  11          1HG       PRO  11   2.437 -10.543  -5.701
   84   1HD   PRO  11          2HD       PRO  11   0.251 -10.248  -4.204
   85   2HD   PRO  11          1HD       PRO  11   1.549  -9.030  -4.158
   86    H    ASN  12           H        ASN  12  -1.745  -9.642  -6.337
   87    HA   ASN  12           HA       ASN  12  -2.664  -9.605  -9.182
   88   1HB   ASN  12          2HB       ASN  12  -2.222 -11.748  -7.825
   89   2HB   ASN  12          1HB       ASN  12  -3.655 -11.318  -6.890
   90   1HD2  ASN  12          1HD2      ASN  12  -5.566 -12.185  -7.702
   91   2HD2  ASN  12          2HD2      ASN  12  -5.830 -12.620  -9.321
   92    H    ASP  13           H        ASP  13  -3.117  -7.933  -6.352
   93    HA   ASP  13           HA       ASP  13  -5.491  -6.586  -7.202
   94   1HB   ASP  13          2HB       ASP  13  -6.119  -9.070  -6.450
   95   2HB   ASP  13          1HB       ASP  13  -6.082  -8.337  -4.847
   96    H    ASP  14           H        ASP  14  -3.189  -5.493  -6.272
   97    HA   ASP  14           HA       ASP  14  -3.400  -4.989  -3.358
   98   1HB   ASP  14          2HB       ASP  14  -1.272  -3.858  -3.700
   99   2HB   ASP  14          1HB       ASP  14  -1.236  -5.378  -4.589
  100    H    LYS  15           H        LYS  15  -3.003  -2.516  -2.812
  101    HA   LYS  15           HA       LYS  15  -4.423  -0.674  -4.642
  102   1HB   LYS  15          2HB       LYS  15  -6.084  -2.002  -3.224
  103   2HB   LYS  15          1HB       LYS  15  -5.416  -1.162  -1.824
  104   1HG   LYS  15          2HG       LYS  15  -6.910   0.475  -2.271
  105   2HG   LYS  15          1HG       LYS  15  -5.871   0.892  -3.635
  106   1HD   LYS  15          2HD       LYS  15  -7.689  -1.367  -4.159
  107   2HD   LYS  15          1HD       LYS  15  -8.510   0.165  -3.859
  108   1HE   LYS  15          2HE       LYS  15  -6.501   0.987  -5.528
  109   2HE   LYS  15          1HE       LYS  15  -6.835  -0.638  -6.160
  110   1HZ   LYS  15          1HZ       LYS  15  -9.028   1.209  -5.445
  111   2HZ   LYS  15          2HZ       LYS  15  -9.074  -0.151  -6.462
  112   3HZ   LYS  15          3HZ       LYS  15  -8.305   1.273  -6.977
  113    H    CYS  16           H        CYS  16  -1.799  -1.122  -2.840
  114    HA   CYS  16           HA       CYS  16  -1.692   1.070  -1.002
  115   1HB   CYS  16          2HB       CYS  16  -0.095  -0.885  -1.204
  116   2HB   CYS  16          1HB       CYS  16   0.563  -0.124  -2.656
  117    H    CYS  17           H        CYS  17  -1.005   3.228  -1.319
  118    HA   CYS  17           HA       CYS  17  -1.685   4.665  -3.581
  119   1HB   CYS  17          2HB       CYS  17   0.626   5.039  -1.647
  120   2HB   CYS  17          1HB       CYS  17   0.031   6.300  -2.723
  121    H    ARG  18           H        ARG  18  -0.582   5.256  -5.539
  122    HA   ARG  18           HA       ARG  18   1.721   3.468  -6.200
  123   1HB   ARG  18          2HB       ARG  18  -0.745   4.018  -7.409
  124   2HB   ARG  18          1HB       ARG  18   0.455   4.813  -8.429
  125   1HG   ARG  18          2HG       ARG  18   0.223   2.546  -9.218
  126   2HG   ARG  18          1HG       ARG  18   1.779   2.667  -8.397
  127   1HD   ARG  18          2HD       ARG  18   0.303   1.941  -6.282
  128   2HD   ARG  18          1HD       ARG  18  -0.687   1.204  -7.557
  129    HE   ARG  18           HE       ARG  18   2.048   0.419  -6.844
  130   1HH1  ARG  18          1HH2      ARG  18   2.160   0.914  -9.768
  131   2HH1  ARG  18          2HH2      ARG  18   1.644  -0.600 -10.430
  132   1HH2  ARG  18          1HH1      ARG  18   0.257  -1.728  -7.460
  133   2HH2  ARG  18          2HH1      ARG  18   0.567  -2.095  -9.123
  134    HA   PRO  19           HA       PRO  19   3.046   7.982  -6.950
  135   1HB   PRO  19          2HB       PRO  19   3.793   8.993  -4.521
  136   2HB   PRO  19          1HB       PRO  19   2.162   9.214  -5.185
  137   1HG   PRO  19          2HG       PRO  19   3.109   7.365  -3.076
  138   2HG   PRO  19          1HG       PRO  19   1.550   8.182  -3.251
  139   1HD   PRO  19          2HD       PRO  19   2.041   5.525  -3.862
  140   2HD   PRO  19          1HD       PRO  19   0.671   6.486  -4.454
  141    H    LYS  20           H        LYS  20   4.103   5.457  -4.796
  142    HA   LYS  20           HA       LYS  20   6.641   5.103  -6.010
  143   1HB   LYS  20          2HB       LYS  20   6.411   7.377  -4.282
  144   2HB   LYS  20          1HB       LYS  20   7.502   6.213  -3.528
  145   1HG   LYS  20          2HG       LYS  20   8.314   6.117  -6.149
  146   2HG   LYS  20          1HG       LYS  20   7.872   7.816  -5.969
  147   1HD   LYS  20          2HD       LYS  20   9.263   7.101  -3.610
  148   2HD   LYS  20          1HD       LYS  20  10.196   6.446  -4.956
  149   1HE   LYS  20          2HE       LYS  20   9.213   9.143  -5.525
  150   2HE   LYS  20          1HE       LYS  20  10.267   9.092  -4.098
  151   1HZ   LYS  20          1HZ       LYS  20  11.956   8.029  -5.295
  152   2HZ   LYS  20          2HZ       LYS  20  11.408   9.244  -6.349
  153   3HZ   LYS  20          3HZ       LYS  20  10.929   7.631  -6.585
  154    H    LEU  21           H        LEU  21   4.608   3.397  -4.913
  155    HA   LEU  21           HA       LEU  21   6.256   1.932  -2.893
  156   1HB   LEU  21          2HB       LEU  21   3.327   2.666  -2.717
  157   2HB   LEU  21          1HB       LEU  21   4.083   1.465  -1.675
  158    HG   LEU  21           HG       LEU  21   5.269   4.222  -1.922
  159   1HD1  LEU  21          1HD1      LEU  21   2.689   3.515  -0.780
  160   2HD1  LEU  21          2HD1      LEU  21   3.417   5.107  -0.984
  161   3HD1  LEU  21          3HD1      LEU  21   3.782   4.147   0.450
  162   1HD2  LEU  21          1HD2      LEU  21   5.263   2.872   0.666
  163   2HD2  LEU  21          2HD2      LEU  21   6.628   3.470  -0.276
  164   3HD2  LEU  21          3HD2      LEU  21   5.974   1.863  -0.593
  165    H    LYS  22           H        LYS  22   5.356  -0.342  -2.629
  166    HA   LYS  22           HA       LYS  22   3.694  -1.418  -4.746
  167   1HB   LYS  22          2HB       LYS  22   5.840  -1.051  -5.904
  168   2HB   LYS  22          1HB       LYS  22   6.675  -1.981  -4.658
  169   1HG   LYS  22          2HG       LYS  22   6.262  -3.397  -6.615
  170   2HG   LYS  22          1HG       LYS  22   5.304  -3.966  -5.248
  171   1HD   LYS  22          2HD       LYS  22   3.335  -3.453  -6.257
  172   2HD   LYS  22          1HD       LYS  22   3.954  -1.930  -6.898
  173   1HE   LYS  22          2HE       LYS  22   4.088  -2.926  -8.928
  174   2HE   LYS  22          1HE       LYS  22   5.349  -3.986  -8.269
  175   1HZ   LYS  22          1HZ       LYS  22   3.770  -5.539  -8.758
  176   2HZ   LYS  22          2HZ       LYS  22   2.470  -4.467  -8.535
  177   3HZ   LYS  22          3HZ       LYS  22   3.264  -5.136  -7.190
  178    H    CYS  23           H        CYS  23   2.878  -3.450  -4.125
  179    HA   CYS  23           HA       CYS  23   2.826  -4.318  -1.503
  180   1HB   CYS  23          2HB       CYS  23   1.540  -5.189  -3.503
  181   2HB   CYS  23          1HB       CYS  23   2.964  -6.133  -3.932
  182    H    SER  24           H        SER  24   4.024  -5.895  -0.280
  183    HA   SER  24           HA       SER  24   6.713  -6.628  -1.369
  184   1HB   SER  24          2HB       SER  24   5.979  -4.835   0.828
  185   2HB   SER  24          1HB       SER  24   7.093  -6.101   1.335
  186    HG   SER  24           HG       SER  24   7.404  -4.338  -0.873
  187    H    LYS  25           H        LYS  25   6.855  -8.810  -1.245
  188    HA   LYS  25           HA       LYS  25   5.064 -10.482   0.250
  189   1HB   LYS  25          2HB       LYS  25   6.599 -12.248  -0.537
  190   2HB   LYS  25          1HB       LYS  25   6.281 -11.087  -1.828
  191   1HG   LYS  25          2HG       LYS  25   8.389  -9.959  -1.411
  192   2HG   LYS  25          1HG       LYS  25   8.692 -10.966   0.006
  193   1HD   LYS  25          2HD       LYS  25   8.175 -12.746  -2.131
  194   2HD   LYS  25          1HD       LYS  25   9.284 -11.527  -2.759
  195   1HE   LYS  25          2HE       LYS  25  10.710 -13.176  -1.794
  196   2HE   LYS  25          1HE       LYS  25  10.616 -11.913  -0.551
  197   1HZ   LYS  25          1HZ       LYS  25   8.717 -13.105   0.418
  198   2HZ   LYS  25          2HZ       LYS  25  10.134 -14.044   0.440
  199   3HZ   LYS  25          3HZ       LYS  25   8.924 -14.351  -0.713
  200    H    LEU  26           H        LEU  26   8.153  -9.001   1.007
  201    HA   LEU  26           HA       LEU  26   9.253 -10.526   3.022
  202   1HB   LEU  26          2HB       LEU  26   8.849  -7.604   2.538
  203   2HB   LEU  26          1HB       LEU  26   9.506  -8.085   4.103
  204    HG   LEU  26           HG       LEU  26  10.797  -9.568   1.982
  205   1HD1  LEU  26          1HD1      LEU  26  10.718  -6.551   1.751
  206   2HD1  LEU  26          2HD1      LEU  26  10.368  -7.741   0.497
  207   3HD1  LEU  26          3HD1      LEU  26  12.023  -7.521   1.067
  208   1HD2  LEU  26          1HD2      LEU  26  12.786  -8.252   3.041
  209   2HD2  LEU  26          2HD2      LEU  26  11.906  -9.395   4.056
  210   3HD2  LEU  26          3HD2      LEU  26  11.582  -7.667   4.188
  211    H    PHE  27           H        PHE  27   6.311  -8.532   3.263
  212    HA   PHE  27           HA       PHE  27   5.609 -10.015   5.753
  213   1HB   PHE  27          2HB       PHE  27   5.958  -7.048   5.380
  214   2HB   PHE  27          1HB       PHE  27   4.904  -7.696   6.638
  215    HD1  PHE  27           1HD      PHE  27   8.312  -7.039   5.646
  216    HD2  PHE  27           2HD      PHE  27   5.866  -9.363   8.303
  217    HE1  PHE  27           1HE      PHE  27  10.293  -7.505   7.061
  218    HE2  PHE  27           2HE      PHE  27   7.845  -9.827   9.720
  219    HZ   PHE  27           HZ       PHE  27  10.061  -8.896   9.100
  220    H    LYS  28           H        LYS  28   4.684  -9.292   2.737
  221    HA   LYS  28           HA       LYS  28   2.559  -9.444   1.689
  222   1HB   LYS  28          2HB       LYS  28   1.296  -9.530   4.421
  223   2HB   LYS  28          1HB       LYS  28   0.833 -10.403   2.962
  224   1HG   LYS  28          2HG       LYS  28   3.441 -11.275   3.497
  225   2HG   LYS  28          1HG       LYS  28   2.669 -11.196   5.081
  226   1HD   LYS  28          2HD       LYS  28   1.294 -12.491   2.724
  227   2HD   LYS  28          1HD       LYS  28   2.413 -13.395   3.744
  228   1HE   LYS  28          2HE       LYS  28   0.596 -13.792   5.066
  229   2HE   LYS  28          1HE       LYS  28   0.785 -12.107   5.595
  230   1HZ   LYS  28          1HZ       LYS  28  -1.425 -12.927   4.451
  231   2HZ   LYS  28          2HZ       LYS  28  -0.543 -12.611   3.033
  232   3HZ   LYS  28          3HZ       LYS  28  -0.810 -11.372   4.165
  233    H    LEU  29           H        LEU  29   3.819  -6.920   2.885
  234    HA   LEU  29           HA       LEU  29   1.318  -5.250   2.894
  235   1HB   LEU  29          2HB       LEU  29   3.907  -4.513   4.270
  236   2HB   LEU  29          1HB       LEU  29   2.283  -3.910   4.592
  237    HG   LEU  29           HG       LEU  29   3.220  -6.749   5.109
  238   1HD1  LEU  29          1HD1      LEU  29   2.861  -4.322   6.855
  239   2HD1  LEU  29          2HD1      LEU  29   4.219  -5.445   6.794
  240   3HD1  LEU  29          3HD1      LEU  29   2.694  -5.943   7.527
  241   1HD2  LEU  29          1HD2      LEU  29   1.014  -7.224   5.137
  242   2HD2  LEU  29          2HD2      LEU  29   0.606  -5.530   4.862
  243   3HD2  LEU  29          3HD2      LEU  29   0.849  -6.124   6.505
  244    H    CYS  30           H        CYS  30   1.849  -2.927   2.130
  245    HA   CYS  30           HA       CYS  30   3.545  -3.164  -0.276
  246   1HB   CYS  30          2HB       CYS  30   2.188  -1.497  -1.114
  247   2HB   CYS  30          1HB       CYS  30   1.093  -2.261   0.016
  248    H    ASN  31           H        ASN  31   5.440  -2.076  -0.574
  249    HA   ASN  31           HA       ASN  31   6.158   0.237   1.098
  250   1HB   ASN  31          2HB       ASN  31   6.694  -1.498   2.636
  251   2HB   ASN  31          1HB       ASN  31   7.414  -2.490   1.381
  252   1HD2  ASN  31          1HD2      ASN  31   7.894   0.560   3.196
  253   2HD2  ASN  31          2HD2      ASN  31   9.578   0.599   2.982
  254    H    PHE  32           H        PHE  32   8.452   0.907   0.568
  255    HA   PHE  32           HA       PHE  32   9.870  -0.051  -1.702
  256   1HB   PHE  32          2HB       PHE  32   7.780   0.611  -2.840
  257   2HB   PHE  32          1HB       PHE  32   7.964   2.246  -2.214
  258    HD1  PHE  32           1HD      PHE  32   7.785   2.600  -4.839
  259    HD2  PHE  32           2HD      PHE  32  11.174   0.895  -2.826
  260    HE1  PHE  32           1HE      PHE  32   9.227   3.184  -6.772
  261    HE2  PHE  32           2HE      PHE  32  12.615   1.479  -4.758
  262    HZ   PHE  32           HZ       PHE  32  11.643   2.622  -6.731
  263    H    SER  33           H        SER  33   9.010   3.348  -1.187
  264    HA   SER  33           HA       SER  33  11.827   3.832  -0.287
  265   1HB   SER  33          2HB       SER  33  11.176   4.786  -2.466
  266   2HB   SER  33          1HB       SER  33   9.814   5.605  -1.706
  267    HG   SER  33           HG       SER  33  12.587   6.049  -1.379
  268    H    PHE  34           H        PHE  34   8.570   5.267   0.042
  269    HA   PHE  34           HA       PHE  34   8.862   5.412   2.968
  270   1HB   PHE  34          2HB       PHE  34  10.102   7.357   2.487
  271   2HB   PHE  34          1HB       PHE  34   9.105   7.757   1.089
  272    HD1  PHE  34           1HD      PHE  34   6.998   8.923   1.320
  273    HD2  PHE  34           2HD      PHE  34   9.293   7.774   4.786
  274    HE1  PHE  34           1HE      PHE  34   5.575  10.386   2.747
  275    HE2  PHE  34           2HE      PHE  34   7.867   9.235   6.214
  276    HZ   PHE  34           HZ       PHE  34   6.009  10.540   5.194
  277   1HN   NH2  35          1HN       NH2  35   6.992   5.043   0.122
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1  -7.347   7.823  -1.507
    2   2H    GLY   1          2HT       GLY   1  -7.660   6.865  -0.140
    3   3H    GLY   1          3HT       GLY   1  -8.877   7.864  -0.777
    4   1HA   GLY   1          2HA       GLY   1  -9.520   5.851  -1.620
    5   2HA   GLY   1          1HA       GLY   1  -8.508   6.474  -2.924
    6    H    CYS   2           H        CYS   2  -5.970   6.076  -2.062
    7    HA   CYS   2           HA       CYS   2  -5.697   3.170  -2.238
    8   1HB   CYS   2          2HB       CYS   2  -3.280   3.788  -2.291
    9   2HB   CYS   2          1HB       CYS   2  -4.233   4.706  -3.449
   10    H    LEU   3           H        LEU   3  -3.555   2.550  -0.698
   11    HA   LEU   3           HA       LEU   3  -4.680   2.677   2.047
   12   1HB   LEU   3          2HB       LEU   3  -2.384   1.050   0.932
   13   2HB   LEU   3          1HB       LEU   3  -3.320   0.720   2.379
   14    HG   LEU   3           HG       LEU   3  -4.351   0.668  -0.465
   15   1HD1  LEU   3          1HD1      LEU   3  -4.884  -1.763   0.466
   16   2HD1  LEU   3          2HD1      LEU   3  -3.537  -1.397   1.544
   17   3HD1  LEU   3          3HD1      LEU   3  -3.297  -1.382  -0.203
   18   1HD2  LEU   3          1HD2      LEU   3  -6.223  -0.460   1.302
   19   2HD2  LEU   3          2HD2      LEU   3  -6.371   1.079   0.454
   20   3HD2  LEU   3          3HD2      LEU   3  -5.698   1.031   2.083
   21    H    GLU   4           H        GLU   4  -1.820   1.930   2.930
   22    HA   GLU   4           HA       GLU   4  -0.789   4.742   3.084
   23   1HB   GLU   4          2HB       GLU   4  -1.678   3.031   5.065
   24   2HB   GLU   4          1HB       GLU   4   0.071   2.807   5.121
   25   1HG   GLU   4          2HG       GLU   4  -0.401   4.632   6.593
   26   2HG   GLU   4          1HG       GLU   4   0.263   5.354   5.128
   27    H    PHE   5           H        PHE   5   1.676   4.205   4.168
   28    HA   PHE   5           HA       PHE   5   3.184   3.331   1.833
   29   1HB   PHE   5          2HB       PHE   5   3.541   5.137   3.779
   30   2HB   PHE   5          1HB       PHE   5   4.416   3.795   4.514
   31    HD1  PHE   5           1HD      PHE   5   4.249   6.069   1.607
   32    HD2  PHE   5           2HD      PHE   5   6.486   2.972   3.571
   33    HE1  PHE   5           1HE      PHE   5   6.189   6.535   0.133
   34    HE2  PHE   5           2HE      PHE   5   8.424   3.437   2.093
   35    HZ   PHE   5           HZ       PHE   5   8.274   5.220   0.380
   36    H    TRP   6           H        TRP   6   1.760   1.585   4.341
   37    HA   TRP   6           HA       TRP   6   3.392  -0.792   3.715
   38   1HB   TRP   6          2HB       TRP   6   4.643   0.617   5.414
   39   2HB   TRP   6          1HB       TRP   6   3.303   0.358   6.528
   40    HD1  TRP   6           HD       TRP   6   3.557  -1.638   8.055
   41    HE1  TRP   6           1HE      TRP   6   4.918  -3.826   8.032
   42    HE3  TRP   6           3HE      TRP   6   5.759  -1.260   3.466
   43    HZ2  TRP   6           2HZ      TRP   6   6.699  -5.235   6.295
   44    HZ3  TRP   6           3HZ      TRP   6   7.276  -3.039   2.654
   45    HH2  TRP   6           HH       TRP   6   7.752  -5.022   4.058
   46    H    TRP   7           H        TRP   7   0.798  -0.746   3.151
   47    HA   TRP   7           HA       TRP   7  -0.626  -2.002   5.475
   48   1HB   TRP   7          2HB       TRP   7  -1.397  -0.265   3.159
   49   2HB   TRP   7          1HB       TRP   7  -2.597  -1.401   3.775
   50    HD1  TRP   7           HD       TRP   7  -0.195  -0.151   6.344
   51    HE1  TRP   7           1HE      TRP   7  -1.364   1.542   7.896
   52    HE3  TRP   7           3HE      TRP   7  -4.529   0.577   3.743
   53    HZ2  TRP   7           2HZ      TRP   7  -3.818   3.007   8.020
   54    HZ3  TRP   7           3HZ      TRP   7  -6.265   2.123   4.602
   55    HH2  TRP   7           HH       TRP   7  -5.914   3.338   6.735
   56    H    LYS   8           H        LYS   8  -2.254  -3.757   4.653
   57    HA   LYS   8           HA       LYS   8  -0.991  -5.937   3.518
   58   1HB   LYS   8          2HB       LYS   8  -3.446  -6.374   2.573
   59   2HB   LYS   8          1HB       LYS   8  -3.105  -6.436   4.293
   60   1HG   LYS   8          2HG       LYS   8  -3.718  -3.727   3.333
   61   2HG   LYS   8          1HG       LYS   8  -5.044  -4.867   3.100
   62   1HD   LYS   8          2HD       LYS   8  -3.699  -5.059   5.723
   63   2HD   LYS   8          1HD       LYS   8  -4.564  -3.548   5.442
   64   1HE   LYS   8          2HE       LYS   8  -6.248  -4.944   6.336
   65   2HE   LYS   8          1HE       LYS   8  -6.492  -5.132   4.587
   66   1HZ   LYS   8          1HZ       LYS   8  -5.126  -7.078   4.587
   67   2HZ   LYS   8          2HZ       LYS   8  -6.312  -7.278   5.788
   68   3HZ   LYS   8          3HZ       LYS   8  -4.720  -6.869   6.221
   69    H    CYS   9           H        CYS   9  -1.051  -6.865   1.350
   70    HA   CYS   9           HA       CYS   9  -1.661  -5.037  -0.899
   71   1HB   CYS   9          2HB       CYS   9   0.630  -4.978  -1.678
   72   2HB   CYS   9          1HB       CYS   9   0.629  -4.483   0.015
   73    H    ASN  10           H        ASN  10  -1.279  -6.164  -3.020
   74    HA   ASN  10           HA       ASN  10  -0.898  -9.077  -2.969
   75   1HB   ASN  10          2HB       ASN  10  -3.396  -8.081  -2.393
   76   2HB   ASN  10          1HB       ASN  10  -3.500  -8.323  -4.137
   77   1HD2  ASN  10          1HD2      ASN  10  -1.994 -10.608  -4.563
   78   2HD2  ASN  10          2HD2      ASN  10  -2.643 -11.917  -3.698
   79    HA   PRO  11           HA       PRO  11   0.606  -7.661  -6.932
   80   1HB   PRO  11          2HB       PRO  11   1.330 -10.157  -7.837
   81   2HB   PRO  11          1HB       PRO  11   2.317  -9.201  -6.712
   82   1HG   PRO  11          2HG       PRO  11   0.387 -11.408  -6.123
   83   2HG   PRO  11          1HG       PRO  11   2.009 -11.129  -5.463
   84   1HD   PRO  11          2HD       PRO  11  -0.177 -10.472  -4.065
   85   2HD   PRO  11          1HD       PRO  11   1.282  -9.455  -4.022
   86    H    ASN  12           H        ASN  12  -2.010  -9.740  -6.220
   87    HA   ASN  12           HA       ASN  12  -2.858  -9.950  -9.071
   88   1HB   ASN  12          2HB       ASN  12  -2.855 -11.804  -7.191
   89   2HB   ASN  12          1HB       ASN  12  -4.355 -11.021  -6.688
   90   1HD2  ASN  12          1HD2      ASN  12  -4.967 -10.235  -9.554
   91   2HD2  ASN  12          2HD2      ASN  12  -5.501 -11.665 -10.295
   92    H    ASP  13           H        ASP  13  -3.317  -8.071  -6.245
   93    HA   ASP  13           HA       ASP  13  -5.311  -6.380  -7.563
   94   1HB   ASP  13          2HB       ASP  13  -6.056  -8.558  -5.828
   95   2HB   ASP  13          1HB       ASP  13  -6.487  -7.033  -5.053
   96    H    ASP  14           H        ASP  14  -2.803  -5.646  -6.800
   97    HA   ASP  14           HA       ASP  14  -2.409  -4.767  -4.124
   98   1HB   ASP  14          2HB       ASP  14  -0.839  -3.129  -5.332
   99   2HB   ASP  14          1HB       ASP  14  -0.583  -4.843  -5.657
  100    H    LYS  15           H        LYS  15  -2.703  -2.665  -3.187
  101    HA   LYS  15           HA       LYS  15  -4.567  -0.828  -4.636
  102   1HB   LYS  15          2HB       LYS  15  -5.791  -2.405  -3.155
  103   2HB   LYS  15          1HB       LYS  15  -4.835  -1.836  -1.787
  104   1HG   LYS  15          2HG       LYS  15  -5.681   0.494  -2.277
  105   2HG   LYS  15          1HG       LYS  15  -6.780  -0.222  -3.457
  106   1HD   LYS  15          2HD       LYS  15  -6.686  -1.218  -0.611
  107   2HD   LYS  15          1HD       LYS  15  -7.683   0.165  -1.061
  108   1HE   LYS  15          2HE       LYS  15  -9.214  -1.145  -2.130
  109   2HE   LYS  15          1HE       LYS  15  -7.958  -2.164  -2.863
  110   1HZ   LYS  15          1HZ       LYS  15  -7.555  -3.077  -0.594
  111   2HZ   LYS  15          2HZ       LYS  15  -9.075  -3.478  -1.241
  112   3HZ   LYS  15          3HZ       LYS  15  -8.942  -2.261  -0.063
  113    H    CYS  16           H        CYS  16  -1.943  -1.268  -2.355
  114    HA   CYS  16           HA       CYS  16  -1.778   1.051  -0.884
  115   1HB   CYS  16          2HB       CYS  16  -0.107  -0.844  -1.090
  116   2HB   CYS  16          1HB       CYS  16   0.489  -0.077  -2.564
  117    H    CYS  17           H        CYS  17  -1.223   3.229  -1.282
  118    HA   CYS  17           HA       CYS  17  -2.029   4.563  -3.570
  119   1HB   CYS  17          2HB       CYS  17   0.397   5.240  -1.872
  120   2HB   CYS  17          1HB       CYS  17  -0.598   6.377  -2.777
  121    H    ARG  18           H        ARG  18  -0.682   5.550  -5.357
  122    HA   ARG  18           HA       ARG  18   1.485   3.649  -6.175
  123   1HB   ARG  18          2HB       ARG  18   0.763   4.546  -8.504
  124   2HB   ARG  18          1HB       ARG  18  -0.327   3.442  -7.670
  125   1HG   ARG  18          2HG       ARG  18  -0.690   6.324  -7.057
  126   2HG   ARG  18          1HG       ARG  18  -1.132   5.820  -8.688
  127   1HD   ARG  18          2HD       ARG  18  -2.470   3.924  -7.601
  128   2HD   ARG  18          1HD       ARG  18  -2.237   4.782  -6.064
  129    HE   ARG  18           HE       ARG  18  -3.118   6.646  -8.054
  130   1HH1  ARG  18          1HH2      ARG  18  -4.124   5.723  -5.172
  131   2HH1  ARG  18          2HH2      ARG  18  -5.796   5.471  -5.548
  132   1HH2  ARG  18          1HH1      ARG  18  -5.315   5.564  -8.980
  133   2HH2  ARG  18          2HH1      ARG  18  -6.471   5.382  -7.700
  134    HA   PRO  19           HA       PRO  19   3.078   8.119  -6.248
  135   1HB   PRO  19          2HB       PRO  19   4.120   8.477  -3.751
  136   2HB   PRO  19          1HB       PRO  19   2.456   8.935  -4.164
  137   1HG   PRO  19          2HG       PRO  19   3.452   6.576  -2.672
  138   2HG   PRO  19          1HG       PRO  19   1.962   7.505  -2.458
  139   1HD   PRO  19          2HD       PRO  19   2.132   5.054  -3.726
  140   2HD   PRO  19          1HD       PRO  19   0.820   6.231  -3.937
  141    H    LYS  20           H        LYS  20   4.222   5.245  -4.547
  142    HA   LYS  20           HA       LYS  20   6.536   4.841  -6.162
  143   1HB   LYS  20          2HB       LYS  20   8.252   5.658  -4.503
  144   2HB   LYS  20          1HB       LYS  20   7.296   6.956  -5.212
  145   1HG   LYS  20          2HG       LYS  20   5.797   6.159  -3.003
  146   2HG   LYS  20          1HG       LYS  20   7.464   6.093  -2.431
  147   1HD   LYS  20          2HD       LYS  20   6.627   8.476  -4.031
  148   2HD   LYS  20          1HD       LYS  20   6.076   8.367  -2.359
  149   1HE   LYS  20          2HE       LYS  20   8.106   9.332  -1.893
  150   2HE   LYS  20          1HE       LYS  20   8.726   7.682  -2.097
  151   1HZ   LYS  20          1HZ       LYS  20   8.253   9.266  -4.509
  152   2HZ   LYS  20          2HZ       LYS  20   9.451   8.102  -4.196
  153   3HZ   LYS  20          3HZ       LYS  20   9.607   9.673  -3.572
  154    H    LEU  21           H        LEU  21   4.453   3.307  -4.701
  155    HA   LEU  21           HA       LEU  21   6.278   1.601  -3.036
  156   1HB   LEU  21          2HB       LEU  21   3.384   2.370  -2.584
  157   2HB   LEU  21          1HB       LEU  21   4.257   1.197  -1.609
  158    HG   LEU  21           HG       LEU  21   5.839   3.583  -1.812
  159   1HD1  LEU  21          1HD1      LEU  21   4.408   5.299  -1.419
  160   2HD1  LEU  21          2HD1      LEU  21   3.445   4.344  -0.292
  161   3HD1  LEU  21          3HD1      LEU  21   3.152   4.222  -2.027
  162   1HD2  LEU  21          1HD2      LEU  21   6.286   2.744   0.234
  163   2HD2  LEU  21          2HD2      LEU  21   4.902   1.658   0.115
  164   3HD2  LEU  21          3HD2      LEU  21   4.696   3.281   0.769
  165    H    LYS  22           H        LYS  22   5.349  -0.634  -2.776
  166    HA   LYS  22           HA       LYS  22   3.450  -1.611  -4.733
  167   1HB   LYS  22          2HB       LYS  22   6.105  -1.248  -5.510
  168   2HB   LYS  22          1HB       LYS  22   6.002  -2.971  -5.140
  169   1HG   LYS  22          2HG       LYS  22   3.767  -2.832  -6.532
  170   2HG   LYS  22          1HG       LYS  22   4.518  -1.389  -7.213
  171   1HD   LYS  22          2HD       LYS  22   5.712  -4.175  -7.173
  172   2HD   LYS  22          1HD       LYS  22   5.086  -3.329  -8.589
  173   1HE   LYS  22          2HE       LYS  22   6.961  -1.582  -7.334
  174   2HE   LYS  22          1HE       LYS  22   7.726  -3.178  -7.479
  175   1HZ   LYS  22          1HZ       LYS  22   6.142  -2.038  -9.696
  176   2HZ   LYS  22          2HZ       LYS  22   7.321  -3.260  -9.752
  177   3HZ   LYS  22          3HZ       LYS  22   7.780  -1.641  -9.514
  178    H    CYS  23           H        CYS  23   2.633  -3.616  -4.045
  179    HA   CYS  23           HA       CYS  23   2.714  -4.566  -1.492
  180   1HB   CYS  23          2HB       CYS  23   1.344  -5.514  -3.309
  181   2HB   CYS  23          1HB       CYS  23   2.785  -6.213  -4.045
  182    H    SER  24           H        SER  24   3.994  -5.996  -0.249
  183    HA   SER  24           HA       SER  24   6.644  -6.791  -1.377
  184   1HB   SER  24          2HB       SER  24   5.949  -4.913   0.793
  185   2HB   SER  24          1HB       SER  24   7.197  -6.081   1.213
  186    HG   SER  24           HG       SER  24   7.324  -4.793  -1.270
  187    H    LYS  25           H        LYS  25   6.993  -8.922  -0.974
  188    HA   LYS  25           HA       LYS  25   5.208 -10.554   0.582
  189   1HB   LYS  25          2HB       LYS  25   6.886 -11.008  -1.414
  190   2HB   LYS  25          1HB       LYS  25   8.028 -11.329  -0.110
  191   1HG   LYS  25          2HG       LYS  25   5.306 -12.603  -0.044
  192   2HG   LYS  25          1HG       LYS  25   6.573 -13.299  -1.056
  193   1HD   LYS  25          2HD       LYS  25   7.674 -12.662   1.522
  194   2HD   LYS  25          1HD       LYS  25   6.218 -13.633   1.740
  195   1HE   LYS  25          2HE       LYS  25   7.112 -15.471   0.635
  196   2HE   LYS  25          1HE       LYS  25   8.191 -14.475  -0.363
  197   1HZ   LYS  25          1HZ       LYS  25   8.487 -15.273   2.455
  198   2HZ   LYS  25          2HZ       LYS  25   9.179 -13.815   1.924
  199   3HZ   LYS  25          3HZ       LYS  25   9.643 -15.286   1.214
  200    H    LEU  26           H        LEU  26   7.989  -8.659   1.420
  201    HA   LEU  26           HA       LEU  26   9.219  -9.925   3.537
  202   1HB   LEU  26          2HB       LEU  26   8.569  -7.192   2.723
  203   2HB   LEU  26          1HB       LEU  26   8.749  -7.340   4.472
  204    HG   LEU  26           HG       LEU  26  10.823  -8.868   3.221
  205   1HD1  LEU  26          1HD1      LEU  26  11.964  -6.707   2.258
  206   2HD1  LEU  26          2HD1      LEU  26  10.304  -6.137   2.076
  207   3HD1  LEU  26          3HD1      LEU  26  10.827  -7.606   1.252
  208   1HD2  LEU  26          1HD2      LEU  26  11.822  -6.453   4.348
  209   2HD2  LEU  26          2HD2      LEU  26  11.761  -8.047   5.099
  210   3HD2  LEU  26          3HD2      LEU  26  10.416  -6.925   5.302
  211    H    PHE  27           H        PHE  27   6.067  -8.247   3.672
  212    HA   PHE  27           HA       PHE  27   5.339  -9.925   6.018
  213   1HB   PHE  27          2HB       PHE  27   5.597  -6.925   5.904
  214   2HB   PHE  27          1HB       PHE  27   4.499  -7.699   7.051
  215    HD1  PHE  27           1HD      PHE  27   7.973  -7.022   6.191
  216    HD2  PHE  27           2HD      PHE  27   5.383  -9.306   8.741
  217    HE1  PHE  27           1HE      PHE  27   9.888  -7.531   7.676
  218    HE2  PHE  27           2HE      PHE  27   7.297  -9.818  10.229
  219    HZ   PHE  27           HZ       PHE  27   9.553  -8.929   9.700
  220    H    LYS  28           H        LYS  28   4.532  -9.178   3.043
  221    HA   LYS  28           HA       LYS  28   2.465  -9.359   1.888
  222   1HB   LYS  28          2HB       LYS  28   1.070  -9.339   4.562
  223   2HB   LYS  28          1HB       LYS  28   0.631 -10.213   3.097
  224   1HG   LYS  28          2HG       LYS  28   3.218 -11.123   3.823
  225   2HG   LYS  28          1HG       LYS  28   2.257 -11.104   5.302
  226   1HD   LYS  28          2HD       LYS  28   1.368 -13.060   4.611
  227   2HD   LYS  28          1HD       LYS  28   0.521 -12.134   3.371
  228   1HE   LYS  28          2HE       LYS  28   3.296 -13.341   3.060
  229   2HE   LYS  28          1HE       LYS  28   1.808 -13.972   2.330
  230   1HZ   LYS  28          1HZ       LYS  28   3.219 -11.449   1.773
  231   2HZ   LYS  28          2HZ       LYS  28   1.540 -11.537   1.533
  232   3HZ   LYS  28          3HZ       LYS  28   2.578 -12.577   0.681
  233    H    LEU  29           H        LEU  29   3.722  -6.821   2.891
  234    HA   LEU  29           HA       LEU  29   1.255  -5.103   2.825
  235   1HB   LEU  29          2HB       LEU  29   3.843  -4.302   4.158
  236   2HB   LEU  29          1HB       LEU  29   2.214  -3.707   4.467
  237    HG   LEU  29           HG       LEU  29   3.164  -6.520   5.085
  238   1HD1  LEU  29          1HD1      LEU  29   2.717  -5.598   7.489
  239   2HD1  LEU  29          2HD1      LEU  29   2.919  -4.015   6.737
  240   3HD1  LEU  29          3HD1      LEU  29   4.236  -5.189   6.691
  241   1HD2  LEU  29          1HD2      LEU  29   1.022  -6.956   5.862
  242   2HD2  LEU  29          2HD2      LEU  29   0.643  -5.848   4.544
  243   3HD2  LEU  29          3HD2      LEU  29   0.690  -5.259   6.204
  244    H    CYS  30           H        CYS  30   1.858  -2.821   1.986
  245    HA   CYS  30           HA       CYS  30   3.449  -3.187  -0.464
  246   1HB   CYS  30          2HB       CYS  30   2.195  -1.398  -1.244
  247   2HB   CYS  30          1HB       CYS  30   1.094  -2.100  -0.074
  248    H    ASN  31           H        ASN  31   5.490  -2.461  -0.704
  249    HA   ASN  31           HA       ASN  31   6.610  -0.628   1.391
  250   1HB   ASN  31          2HB       ASN  31   7.374  -3.114   0.803
  251   2HB   ASN  31          1HB       ASN  31   8.281  -2.283  -0.461
  252   1HD2  ASN  31          1HD2      ASN  31   9.121  -3.600   2.230
  253   2HD2  ASN  31          2HD2      ASN  31  10.075  -2.408   2.971
  254    H    PHE  32           H        PHE  32   9.016  -0.420  -0.479
  255    HA   PHE  32           HA       PHE  32   8.152   2.008  -1.867
  256   1HB   PHE  32          2HB       PHE  32  10.597   0.628  -1.061
  257   2HB   PHE  32          1HB       PHE  32  10.735   1.310  -2.680
  258    HD1  PHE  32           1HD      PHE  32   9.198   3.719  -2.663
  259    HD2  PHE  32           2HD      PHE  32  11.598   2.062   0.491
  260    HE1  PHE  32           1HE      PHE  32   9.488   5.983  -1.696
  261    HE2  PHE  32           2HE      PHE  32  11.888   4.328   1.460
  262    HZ   PHE  32           HZ       PHE  32  10.834   6.288   0.366
  263    H    SER  33           H        SER  33   9.622   1.909  -4.209
  264    HA   SER  33           HA       SER  33   8.146  -0.153  -5.800
  265   1HB   SER  33          2HB       SER  33   9.129   1.826  -7.502
  266   2HB   SER  33          1HB       SER  33   7.487   1.731  -6.872
  267    HG   SER  33           HG       SER  33   9.709   3.166  -5.867
  268    H    PHE  34           H        PHE  34  11.011   1.803  -6.557
  269    HA   PHE  34           HA       PHE  34  12.371  -0.584  -7.643
  270   1HB   PHE  34          2HB       PHE  34  13.034   2.374  -7.495
  271   2HB   PHE  34          1HB       PHE  34  14.028   1.185  -8.335
  272    HD1  PHE  34           1HD      PHE  34  12.123   3.701  -9.226
  273    HD2  PHE  34           2HD      PHE  34  11.957  -0.601  -9.487
  274    HE1  PHE  34           1HE      PHE  34  10.642   3.879 -11.219
  275    HE2  PHE  34           2HE      PHE  34  10.478  -0.423 -11.482
  276    HZ   PHE  34           HZ       PHE  34   9.821   1.818 -12.349
  277   1HN   NH2  35          1HN       NH2  35  14.457   1.929  -6.282
  278   2HN   NH2  35          2HN       NH2  35  15.055   0.996  -4.884
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1  -9.816   7.359  -1.989
    2   2H    GLY   1          2HT       GLY   1  -9.716   5.726  -1.532
    3   3H    GLY   1          3HT       GLY   1  -9.035   6.242  -3.000
    4   1HA   GLY   1          2HA       GLY   1  -7.347   7.473  -1.905
    5   2HA   GLY   1          1HA       GLY   1  -8.130   7.208  -0.346
    6    H    CYS   2           H        CYS   2  -5.677   6.113  -2.296
    7    HA   CYS   2           HA       CYS   2  -5.689   3.304  -2.135
    8   1HB   CYS   2          2HB       CYS   2  -3.153   3.668  -2.070
    9   2HB   CYS   2          1HB       CYS   2  -4.014   4.472  -3.379
   10    H    LEU   3           H        LEU   3  -3.665   2.354  -0.611
   11    HA   LEU   3           HA       LEU   3  -4.755   2.523   2.122
   12   1HB   LEU   3          2HB       LEU   3  -2.592   0.854   0.800
   13   2HB   LEU   3          1HB       LEU   3  -3.198   0.593   2.431
   14    HG   LEU   3           HG       LEU   3  -4.963   0.574  -0.027
   15   1HD1  LEU   3          1HD1      LEU   3  -4.989  -1.960   0.540
   16   2HD1  LEU   3          2HD1      LEU   3  -3.484  -1.634   1.400
   17   3HD1  LEU   3          3HD1      LEU   3  -3.597  -1.322  -0.333
   18   1HD2  LEU   3          1HD2      LEU   3  -5.578  -0.725   2.608
   19   2HD2  LEU   3          2HD2      LEU   3  -6.687  -0.081   1.397
   20   3HD2  LEU   3          3HD2      LEU   3  -5.791   1.017   2.446
   21    H    GLU   4           H        GLU   4  -1.824   1.706   2.930
   22    HA   GLU   4           HA       GLU   4  -0.821   4.519   3.196
   23   1HB   GLU   4          2HB       GLU   4  -1.547   2.506   5.097
   24   2HB   GLU   4          1HB       GLU   4   0.187   2.793   5.232
   25   1HG   GLU   4          2HG       GLU   4  -1.166   5.312   4.901
   26   2HG   GLU   4          1HG       GLU   4  -1.914   4.422   6.228
   27    H    PHE   5           H        PHE   5   1.651   3.937   4.264
   28    HA   PHE   5           HA       PHE   5   3.122   3.066   1.888
   29   1HB   PHE   5          2HB       PHE   5   4.274   4.786   2.835
   30   2HB   PHE   5          1HB       PHE   5   3.530   4.529   4.409
   31    HD1  PHE   5           1HD      PHE   5   6.463   3.996   2.358
   32    HD2  PHE   5           2HD      PHE   5   4.428   2.687   5.906
   33    HE1  PHE   5           1HE      PHE   5   8.560   2.954   3.177
   34    HE2  PHE   5           2HE      PHE   5   6.523   1.644   6.725
   35    HZ   PHE   5           HZ       PHE   5   8.590   1.779   5.361
   36    H    TRP   6           H        TRP   6   1.708   1.322   4.355
   37    HA   TRP   6           HA       TRP   6   3.405  -1.035   3.812
   38   1HB   TRP   6          2HB       TRP   6   4.587   0.370   5.548
   39   2HB   TRP   6          1HB       TRP   6   3.190   0.158   6.601
   40    HD1  TRP   6           HD       TRP   6   3.617  -1.638   8.315
   41    HE1  TRP   6           1HE      TRP   6   4.831  -3.910   8.367
   42    HE3  TRP   6           3HE      TRP   6   5.387  -1.807   3.525
   43    HZ2  TRP   6           2HZ      TRP   6   6.351  -5.575   6.618
   44    HZ3  TRP   6           3HZ      TRP   6   6.715  -3.750   2.747
   45    HH2  TRP   6           HH       TRP   6   7.198  -5.633   4.285
   46    H    TRP   7           H        TRP   7   0.694  -0.716   3.263
   47    HA   TRP   7           HA       TRP   7  -0.713  -2.162   5.479
   48   1HB   TRP   7          2HB       TRP   7  -1.468  -0.292   3.263
   49   2HB   TRP   7          1HB       TRP   7  -2.676  -1.456   3.811
   50    HD1  TRP   7           HD       TRP   7  -0.361  -0.490   6.535
   51    HE1  TRP   7           1HE      TRP   7  -1.505   1.171   8.141
   52    HE3  TRP   7           3HE      TRP   7  -4.484   0.714   3.772
   53    HZ2  TRP   7           2HZ      TRP   7  -3.857   2.795   8.241
   54    HZ3  TRP   7           3HZ      TRP   7  -6.159   2.318   4.646
   55    HH2  TRP   7           HH       TRP   7  -5.851   3.360   6.875
   56    H    LYS   8           H        LYS   8  -2.248  -3.922   4.663
   57    HA   LYS   8           HA       LYS   8  -1.048  -6.018   3.364
   58   1HB   LYS   8          2HB       LYS   8  -3.553  -6.325   2.400
   59   2HB   LYS   8          1HB       LYS   8  -3.134  -6.626   4.078
   60   1HG   LYS   8          2HG       LYS   8  -4.188  -4.711   4.821
   61   2HG   LYS   8          1HG       LYS   8  -3.855  -3.828   3.331
   62   1HD   LYS   8          2HD       LYS   8  -5.941  -4.287   2.626
   63   2HD   LYS   8          1HD       LYS   8  -5.537  -6.004   2.631
   64   1HE   LYS   8          2HE       LYS   8  -6.045  -5.004   5.333
   65   2HE   LYS   8          1HE       LYS   8  -7.446  -4.800   4.262
   66   1HZ   LYS   8          1HZ       LYS   8  -6.957  -7.134   3.479
   67   2HZ   LYS   8          2HZ       LYS   8  -7.582  -6.999   5.053
   68   3HZ   LYS   8          3HZ       LYS   8  -5.924  -7.283   4.816
   69    H    CYS   9           H        CYS   9  -0.938  -6.784   1.192
   70    HA   CYS   9           HA       CYS   9  -1.638  -4.851  -0.967
   71   1HB   CYS   9          2HB       CYS   9   0.684  -4.858  -1.766
   72   2HB   CYS   9          1HB       CYS   9   0.620  -4.295  -0.096
   73    H    ASN  10           H        ASN  10  -1.408  -5.828  -3.127
   74    HA   ASN  10           HA       ASN  10  -1.104  -8.782  -3.204
   75   1HB   ASN  10          2HB       ASN  10  -3.536  -7.823  -2.757
   76   2HB   ASN  10          1HB       ASN  10  -3.502  -7.521  -4.496
   77   1HD2  ASN  10          1HD2      ASN  10  -4.433  -9.237  -5.611
   78   2HD2  ASN  10          2HD2      ASN  10  -4.292 -10.873  -5.184
   79    HA   PRO  11           HA       PRO  11   0.993  -7.336  -6.865
   80   1HB   PRO  11          2HB       PRO  11   1.607  -9.839  -7.828
   81   2HB   PRO  11          1HB       PRO  11   2.517  -9.042  -6.527
   82   1HG   PRO  11          2HG       PRO  11   0.345 -11.088  -6.333
   83   2HG   PRO  11          1HG       PRO  11   1.880 -10.991  -5.451
   84   1HD   PRO  11          2HD       PRO  11  -0.424 -10.213  -4.323
   85   2HD   PRO  11          1HD       PRO  11   1.102  -9.353  -4.003
   86    H    ASN  12           H        ASN  12  -1.896  -9.140  -6.624
   87    HA   ASN  12           HA       ASN  12  -2.342  -9.306  -9.552
   88   1HB   ASN  12          2HB       ASN  12  -3.004 -10.952  -7.578
   89   2HB   ASN  12          1HB       ASN  12  -4.395  -9.877  -7.438
   90   1HD2  ASN  12          1HD2      ASN  12  -4.398  -9.268 -10.379
   91   2HD2  ASN  12          2HD2      ASN  12  -5.011 -10.662 -11.130
   92    H    ASP  13           H        ASP  13  -3.658  -7.652  -6.689
   93    HA   ASP  13           HA       ASP  13  -4.589  -5.428  -8.419
   94   1HB   ASP  13          2HB       ASP  13  -6.277  -7.479  -7.734
   95   2HB   ASP  13          1HB       ASP  13  -6.546  -6.354  -6.402
   96    H    ASP  14           H        ASP  14  -2.436  -5.335  -6.715
   97    HA   ASP  14           HA       ASP  14  -2.732  -4.729  -4.013
   98   1HB   ASP  14          2HB       ASP  14  -0.584  -4.795  -5.085
   99   2HB   ASP  14          1HB       ASP  14  -1.032  -3.505  -6.202
  100    H    LYS  15           H        LYS  15  -3.188  -2.766  -2.853
  101    HA   LYS  15           HA       LYS  15  -4.700  -0.725  -4.449
  102   1HB   LYS  15          2HB       LYS  15  -5.917  -2.339  -2.845
  103   2HB   LYS  15          1HB       LYS  15  -5.142  -1.434  -1.543
  104   1HG   LYS  15          2HG       LYS  15  -6.904  -0.019  -1.691
  105   2HG   LYS  15          1HG       LYS  15  -6.147   0.568  -3.173
  106   1HD   LYS  15          2HD       LYS  15  -7.497  -1.789  -3.911
  107   2HD   LYS  15          1HD       LYS  15  -8.612  -0.921  -2.855
  108   1HE   LYS  15          2HE       LYS  15  -8.887   0.800  -4.347
  109   2HE   LYS  15          1HE       LYS  15  -7.193   0.742  -4.875
  110   1HZ   LYS  15          1HZ       LYS  15  -8.203  -0.219  -6.671
  111   2HZ   LYS  15          2HZ       LYS  15  -9.471  -0.885  -5.756
  112   3HZ   LYS  15          3HZ       LYS  15  -7.932  -1.605  -5.731
  113    H    CYS  16           H        CYS  16  -1.942  -1.242  -2.537
  114    HA   CYS  16           HA       CYS  16  -1.751   1.045  -0.896
  115   1HB   CYS  16          2HB       CYS  16  -0.122  -0.892  -1.121
  116   2HB   CYS  16          1HB       CYS  16   0.467  -0.138  -2.604
  117    H    CYS  17           H        CYS  17  -1.033   3.190  -1.299
  118    HA   CYS  17           HA       CYS  17  -1.825   4.549  -3.598
  119   1HB   CYS  17          2HB       CYS  17   0.626   5.097  -1.885
  120   2HB   CYS  17          1HB       CYS  17  -0.276   6.288  -2.819
  121    H    ARG  18           H        ARG  18  -0.643   5.204  -5.549
  122    HA   ARG  18           HA       ARG  18   1.601   3.324  -6.177
  123   1HB   ARG  18          2HB       ARG  18   0.799   3.924  -8.584
  124   2HB   ARG  18          1HB       ARG  18  -0.191   2.846  -7.603
  125   1HG   ARG  18          2HG       ARG  18  -0.732   5.762  -7.338
  126   2HG   ARG  18          1HG       ARG  18  -1.212   5.000  -8.856
  127   1HD   ARG  18          2HD       ARG  18  -2.009   4.032  -6.082
  128   2HD   ARG  18          1HD       ARG  18  -3.066   4.886  -7.224
  129    HE   ARG  18           HE       ARG  18  -2.206   2.852  -8.785
  130   1HH1  ARG  18          1HH1      ARG  18  -3.715   3.096  -5.715
  131   2HH1  ARG  18          2HH1      ARG  18  -4.158   1.424  -5.641
  132   1HH2  ARG  18          1HH2      ARG  18  -2.584   0.602  -8.619
  133   2HH2  ARG  18          2HH2      ARG  18  -3.519   0.011  -7.286
  134    HA   PRO  19           HA       PRO  19   3.016   7.806  -6.942
  135   1HB   PRO  19          2HB       PRO  19   3.990   8.643  -4.532
  136   2HB   PRO  19          1HB       PRO  19   2.323   8.962  -5.052
  137   1HG   PRO  19          2HG       PRO  19   3.357   6.945  -3.141
  138   2HG   PRO  19          1HG       PRO  19   1.835   7.847  -3.122
  139   1HD   PRO  19          2HD       PRO  19   2.100   5.215  -3.921
  140   2HD   PRO  19          1HD       PRO  19   0.762   6.293  -4.374
  141    H    LYS  20           H        LYS  20   4.175   5.219  -4.887
  142    HA   LYS  20           HA       LYS  20   6.571   4.751  -6.344
  143   1HB   LYS  20          2HB       LYS  20   6.587   6.980  -4.475
  144   2HB   LYS  20          1HB       LYS  20   7.790   5.772  -4.020
  145   1HG   LYS  20          2HG       LYS  20   7.583   6.544  -6.904
  146   2HG   LYS  20          1HG       LYS  20   8.367   7.668  -5.794
  147   1HD   LYS  20          2HD       LYS  20   9.886   5.870  -5.042
  148   2HD   LYS  20          1HD       LYS  20   9.108   4.749  -6.161
  149   1HE   LYS  20          2HE       LYS  20   9.961   5.862  -8.063
  150   2HE   LYS  20          1HE       LYS  20  10.308   7.343  -7.149
  151   1HZ   LYS  20          1HZ       LYS  20  11.547   4.773  -6.394
  152   2HZ   LYS  20          2HZ       LYS  20  12.065   6.351  -6.036
  153   3HZ   LYS  20          3HZ       LYS  20  12.239   5.733  -7.609
  154    H    LEU  21           H        LEU  21   4.402   3.371  -4.829
  155    HA   LEU  21           HA       LEU  21   6.124   1.788  -2.942
  156   1HB   LEU  21          2HB       LEU  21   3.137   2.298  -2.791
  157   2HB   LEU  21          1HB       LEU  21   4.128   1.513  -1.564
  158    HG   LEU  21           HG       LEU  21   4.994   4.228  -2.406
  159   1HD1  LEU  21          1HD1      LEU  21   2.654   3.893  -0.520
  160   2HD1  LEU  21          2HD1      LEU  21   2.440   4.273  -2.229
  161   3HD1  LEU  21          3HD1      LEU  21   3.311   5.391  -1.178
  162   1HD2  LEU  21          1HD2      LEU  21   4.797   4.037   0.364
  163   2HD2  LEU  21          2HD2      LEU  21   6.248   3.727  -0.587
  164   3HD2  LEU  21          3HD2      LEU  21   5.189   2.392  -0.136
  165    H    LYS  22           H        LYS  22   5.328  -0.494  -2.711
  166    HA   LYS  22           HA       LYS  22   3.565  -1.577  -4.744
  167   1HB   LYS  22          2HB       LYS  22   6.183  -1.114  -5.464
  168   2HB   LYS  22          1HB       LYS  22   6.247  -2.792  -4.926
  169   1HG   LYS  22          2HG       LYS  22   3.934  -2.747  -6.427
  170   2HG   LYS  22          1HG       LYS  22   4.985  -1.645  -7.318
  171   1HD   LYS  22          2HD       LYS  22   6.522  -3.926  -6.489
  172   2HD   LYS  22          1HD       LYS  22   5.063  -4.486  -7.306
  173   1HE   LYS  22          2HE       LYS  22   6.152  -4.048  -9.255
  174   2HE   LYS  22          1HE       LYS  22   5.944  -2.328  -8.868
  175   1HZ   LYS  22          1HZ       LYS  22   7.963  -2.930  -7.264
  176   2HZ   LYS  22          2HZ       LYS  22   8.193  -2.374  -8.853
  177   3HZ   LYS  22          3HZ       LYS  22   8.278  -4.037  -8.512
  178    H    CYS  23           H        CYS  23   2.767  -3.566  -4.056
  179    HA   CYS  23           HA       CYS  23   2.757  -4.459  -1.479
  180   1HB   CYS  23          2HB       CYS  23   1.464  -5.442  -3.338
  181   2HB   CYS  23          1HB       CYS  23   2.934  -6.165  -3.986
  182    H    SER  24           H        SER  24   4.006  -5.801  -0.153
  183    HA   SER  24           HA       SER  24   6.727  -6.566  -1.149
  184   1HB   SER  24          2HB       SER  24   5.889  -4.709   0.928
  185   2HB   SER  24          1HB       SER  24   6.894  -5.988   1.601
  186    HG   SER  24           HG       SER  24   7.474  -4.118  -0.431
  187    H    LYS  25           H        LYS  25   6.824  -8.763  -1.037
  188    HA   LYS  25           HA       LYS  25   4.993 -10.401   0.458
  189   1HB   LYS  25          2HB       LYS  25   6.418 -12.206  -0.373
  190   2HB   LYS  25          1HB       LYS  25   6.217 -10.998  -1.642
  191   1HG   LYS  25          2HG       LYS  25   8.430 -10.074  -0.258
  192   2HG   LYS  25          1HG       LYS  25   8.648 -11.825  -0.229
  193   1HD   LYS  25          2HD       LYS  25   8.854 -11.978  -2.518
  194   2HD   LYS  25          1HD       LYS  25   7.807 -10.588  -2.812
  195   1HE   LYS  25          2HE       LYS  25   9.907  -9.694  -3.349
  196   2HE   LYS  25          1HE       LYS  25   9.793  -9.265  -1.631
  197   1HZ   LYS  25          1HZ       LYS  25  10.751 -11.946  -2.258
  198   2HZ   LYS  25          2HZ       LYS  25  11.234 -10.883  -1.023
  199   3HZ   LYS  25          3HZ       LYS  25  11.814 -10.671  -2.606
  200    H    LEU  26           H        LEU  26   8.104  -8.981   1.222
  201    HA   LEU  26           HA       LEU  26   9.198 -10.543   3.207
  202   1HB   LEU  26          2HB       LEU  26   8.881  -7.655   2.663
  203   2HB   LEU  26          1HB       LEU  26   9.307  -8.045   4.330
  204    HG   LEU  26           HG       LEU  26  11.305  -7.713   2.858
  205   1HD1  LEU  26          1HD1      LEU  26  10.684 -10.078   4.485
  206   2HD1  LEU  26          2HD1      LEU  26  12.098  -9.026   4.529
  207   3HD1  LEU  26          3HD1      LEU  26  12.011 -10.338   3.353
  208   1HD2  LEU  26          1HD2      LEU  26  10.727 -10.365   1.594
  209   2HD2  LEU  26          2HD2      LEU  26  11.706  -9.028   0.990
  210   3HD2  LEU  26          3HD2      LEU  26   9.946  -8.933   0.923
  211    H    PHE  27           H        PHE  27   6.303  -8.491   3.524
  212    HA   PHE  27           HA       PHE  27   5.550 -10.054   5.954
  213   1HB   PHE  27          2HB       PHE  27   6.007  -7.108   5.643
  214   2HB   PHE  27          1HB       PHE  27   4.805  -7.686   6.798
  215    HD1  PHE  27           1HD      PHE  27   8.093  -6.684   6.572
  216    HD2  PHE  27           2HD      PHE  27   5.741  -9.928   8.115
  217    HE1  PHE  27           1HE      PHE  27   9.900  -7.229   8.178
  218    HE2  PHE  27           2HE      PHE  27   7.546 -10.474   9.721
  219    HZ   PHE  27           HZ       PHE  27   9.629  -9.124   9.755
  220    H    LYS  28           H        LYS  28   4.678  -9.148   2.938
  221    HA   LYS  28           HA       LYS  28   2.583  -9.356   1.845
  222   1HB   LYS  28          2HB       LYS  28   1.242  -9.401   4.542
  223   2HB   LYS  28          1HB       LYS  28   0.776 -10.234   3.061
  224   1HG   LYS  28          2HG       LYS  28   3.334 -11.210   3.623
  225   2HG   LYS  28          1HG       LYS  28   2.544 -11.121   5.197
  226   1HD   LYS  28          2HD       LYS  28   1.162 -12.843   4.710
  227   2HD   LYS  28          1HD       LYS  28   0.763 -12.169   3.130
  228   1HE   LYS  28          2HE       LYS  28   2.431 -13.356   2.050
  229   2HE   LYS  28          1HE       LYS  28   3.488 -13.367   3.477
  230   1HZ   LYS  28          1HZ       LYS  28   2.516 -15.547   3.169
  231   2HZ   LYS  28          2HZ       LYS  28   0.950 -14.887   3.160
  232   3HZ   LYS  28          3HZ       LYS  28   1.887 -14.840   4.576
  233    H    LEU  29           H        LEU  29   3.798  -6.784   3.140
  234    HA   LEU  29           HA       LEU  29   1.274  -5.146   2.969
  235   1HB   LEU  29          2HB       LEU  29   3.875  -4.586   4.442
  236   2HB   LEU  29          1HB       LEU  29   2.505  -3.493   4.368
  237    HG   LEU  29           HG       LEU  29   2.097  -4.543   6.393
  238   1HD1  LEU  29          1HD1      LEU  29   0.150  -5.783   6.111
  239   2HD1  LEU  29          2HD1      LEU  29   0.795  -6.679   4.735
  240   3HD1  LEU  29          3HD1      LEU  29   0.285  -5.003   4.536
  241   1HD2  LEU  29          1HD2      LEU  29   3.520  -6.826   5.112
  242   2HD2  LEU  29          2HD2      LEU  29   2.372  -7.202   6.397
  243   3HD2  LEU  29          3HD2      LEU  29   3.732  -6.128   6.716
  244    H    CYS  30           H        CYS  30   1.839  -2.828   2.147
  245    HA   CYS  30           HA       CYS  30   3.460  -3.185  -0.296
  246   1HB   CYS  30          2HB       CYS  30   2.139  -1.479  -1.134
  247   2HB   CYS  30          1HB       CYS  30   1.052  -2.179   0.047
  248    H    ASN  31           H        ASN  31   5.453  -2.322  -0.545
  249    HA   ASN  31           HA       ASN  31   6.442  -0.425   1.561
  250   1HB   ASN  31          2HB       ASN  31   7.378  -2.861   1.000
  251   2HB   ASN  31          1HB       ASN  31   8.233  -1.984  -0.268
  252   1HD2  ASN  31          1HD2      ASN  31  10.338  -1.747   0.547
  253   2HD2  ASN  31          2HD2      ASN  31  10.707  -1.102   2.072
  254    H    PHE  32           H        PHE  32   8.827   0.129  -0.133
  255    HA   PHE  32           HA       PHE  32   7.650   2.293  -1.743
  256   1HB   PHE  32          2HB       PHE  32  10.019   1.809  -0.334
  257   2HB   PHE  32          1HB       PHE  32  10.515   1.818  -2.023
  258    HD1  PHE  32           1HD      PHE  32  11.201   3.882  -2.831
  259    HD2  PHE  32           2HD      PHE  32   8.093   3.730   0.133
  260    HE1  PHE  32           1HE      PHE  32  11.044   6.357  -2.866
  261    HE2  PHE  32           2HE      PHE  32   7.937   6.204   0.096
  262    HZ   PHE  32           HZ       PHE  32   9.413   7.518  -1.403
  263    H    SER  33           H        SER  33   9.521   2.385  -3.826
  264    HA   SER  33           HA       SER  33   8.771  -0.031  -5.443
  265   1HB   SER  33          2HB       SER  33   8.363   2.788  -5.772
  266   2HB   SER  33          1HB       SER  33   9.436   2.234  -7.055
  267    HG   SER  33           HG       SER  33   7.853   1.100  -7.879
  268    H    PHE  34           H        PHE  34  11.098  -0.241  -3.968
  269    HA   PHE  34           HA       PHE  34  13.332   0.512  -5.800
  270   1HB   PHE  34          2HB       PHE  34  13.392   1.139  -3.390
  271   2HB   PHE  34          1HB       PHE  34  13.299  -0.569  -2.962
  272    HD1  PHE  34           1HD      PHE  34  15.165   0.918  -5.823
  273    HD2  PHE  34           2HD      PHE  34  15.418  -0.912  -1.926
  274    HE1  PHE  34           1HE      PHE  34  17.635   0.715  -6.077
  275    HE2  PHE  34           2HE      PHE  34  17.885  -1.114  -2.180
  276    HZ   PHE  34           HZ       PHE  34  18.994  -0.299  -4.254
  277   1HN   NH2  35          1HN       NH2  35  14.104  -1.061  -7.265
  278   2HN   NH2  35          2HN       NH2  35  14.004  -2.818  -6.975
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1  -8.670   7.518   0.207
    2   2H    GLY   1          2HT       GLY   1  -7.790   7.766  -1.225
    3   3H    GLY   1          3HT       GLY   1  -7.121   6.846   0.038
    4   1HA   GLY   1          2HA       GLY   1  -9.544   5.653  -0.564
    5   2HA   GLY   1          1HA       GLY   1  -8.755   5.995  -2.104
    6    H    CYS   2           H        CYS   2  -6.339   5.389  -2.138
    7    HA   CYS   2           HA       CYS   2  -5.977   2.630  -1.752
    8   1HB   CYS   2          2HB       CYS   2  -3.530   3.276  -1.939
    9   2HB   CYS   2          1HB       CYS   2  -4.565   3.955  -3.193
   10    H    LEU   3           H        LEU   3  -3.758   2.097  -0.301
   11    HA   LEU   3           HA       LEU   3  -4.699   2.453   2.484
   12   1HB   LEU   3          2HB       LEU   3  -2.572   0.732   1.170
   13   2HB   LEU   3          1HB       LEU   3  -3.056   0.620   2.859
   14    HG   LEU   3           HG       LEU   3  -5.484   0.428   1.751
   15   1HD1  LEU   3          1HD1      LEU   3  -3.541  -0.079  -0.414
   16   2HD1  LEU   3          2HD1      LEU   3  -5.251   0.344  -0.512
   17   3HD1  LEU   3          3HD1      LEU   3  -4.772  -1.329  -0.226
   18   1HD2  LEU   3          1HD2      LEU   3  -3.588  -1.935   1.809
   19   2HD2  LEU   3          2HD2      LEU   3  -5.326  -1.947   2.105
   20   3HD2  LEU   3          3HD2      LEU   3  -4.238  -1.190   3.268
   21    H    GLU   4           H        GLU   4  -1.701   1.822   3.148
   22    HA   GLU   4           HA       GLU   4  -0.778   4.674   3.065
   23   1HB   GLU   4          2HB       GLU   4  -1.554   3.351   5.242
   24   2HB   GLU   4          1HB       GLU   4   0.088   2.711   5.155
   25   1HG   GLU   4          2HG       GLU   4   1.063   4.769   5.548
   26   2HG   GLU   4          1HG       GLU   4  -0.285   5.661   4.841
   27    H    PHE   5           H        PHE   5   1.763   4.462   3.851
   28    HA   PHE   5           HA       PHE   5   3.158   3.417   1.562
   29   1HB   PHE   5          2HB       PHE   5   3.623   5.315   3.366
   30   2HB   PHE   5          1HB       PHE   5   4.492   4.013   4.177
   31    HD1  PHE   5           1HD      PHE   5   6.415   2.908   3.088
   32    HD2  PHE   5           2HD      PHE   5   4.413   6.252   1.280
   33    HE1  PHE   5           1HE      PHE   5   8.328   3.219   1.542
   34    HE2  PHE   5           2HE      PHE   5   6.326   6.562  -0.266
   35    HZ   PHE   5           HZ       PHE   5   8.285   5.044  -0.135
   36    H    TRP   6           H        TRP   6   1.888   1.759   4.205
   37    HA   TRP   6           HA       TRP   6   3.506  -0.625   3.592
   38   1HB   TRP   6          2HB       TRP   6   4.848   0.797   5.172
   39   2HB   TRP   6          1HB       TRP   6   3.530   0.680   6.337
   40    HD1  TRP   6           HD       TRP   6   3.722  -1.230   7.992
   41    HE1  TRP   6           1HE      TRP   6   4.996  -3.470   8.090
   42    HE3  TRP   6           3HE      TRP   6   5.846  -1.233   3.354
   43    HZ2  TRP   6           2HZ      TRP   6   6.695  -5.054   6.419
   44    HZ3  TRP   6           3HZ      TRP   6   7.289  -3.116   2.634
   45    HH2  TRP   6           HH       TRP   6   7.716  -5.025   4.157
   46    H    TRP   7           H        TRP   7   0.830  -0.494   3.177
   47    HA   TRP   7           HA       TRP   7  -0.420  -1.765   5.594
   48   1HB   TRP   7          2HB       TRP   7  -1.354   0.006   3.367
   49   2HB   TRP   7          1HB       TRP   7  -2.511  -1.151   4.030
   50    HD1  TRP   7           HD       TRP   7   0.021  -0.005   6.505
   51    HE1  TRP   7           1HE      TRP   7  -1.041   1.658   8.163
   52    HE3  TRP   7           3HE      TRP   7  -4.414   0.894   4.135
   53    HZ2  TRP   7           2HZ      TRP   7  -3.452   3.172   8.447
   54    HZ3  TRP   7           3HZ      TRP   7  -6.073   2.449   5.122
   55    HH2  TRP   7           HH       TRP   7  -5.597   3.588   7.273
   56    H    LYS   8           H        LYS   8  -2.208  -3.444   4.769
   57    HA   LYS   8           HA       LYS   8  -0.996  -5.661   3.609
   58   1HB   LYS   8          2HB       LYS   8  -3.850  -4.863   3.028
   59   2HB   LYS   8          1HB       LYS   8  -3.211  -6.484   3.252
   60   1HG   LYS   8          2HG       LYS   8  -2.544  -5.043   5.595
   61   2HG   LYS   8          1HG       LYS   8  -4.235  -4.682   5.247
   62   1HD   LYS   8          2HD       LYS   8  -3.134  -7.498   5.222
   63   2HD   LYS   8          1HD       LYS   8  -3.810  -6.758   6.672
   64   1HE   LYS   8          2HE       LYS   8  -5.848  -6.205   5.061
   65   2HE   LYS   8          1HE       LYS   8  -5.205  -7.585   4.149
   66   1HZ   LYS   8          1HZ       LYS   8  -5.521  -9.013   5.882
   67   2HZ   LYS   8          2HZ       LYS   8  -6.816  -7.953   6.174
   68   3HZ   LYS   8          3HZ       LYS   8  -5.377  -7.805   7.064
   69    H    CYS   9           H        CYS   9  -1.074  -6.528   1.403
   70    HA   CYS   9           HA       CYS   9  -1.614  -4.540  -0.753
   71   1HB   CYS   9          2HB       CYS   9   0.646  -4.838  -1.639
   72   2HB   CYS   9          1HB       CYS   9   0.745  -4.318   0.042
   73    H    ASN  10           H        ASN  10  -1.135  -5.693  -2.965
   74    HA   ASN  10           HA       ASN  10  -1.633  -8.619  -2.877
   75   1HB   ASN  10          2HB       ASN  10  -3.839  -7.556  -2.726
   76   2HB   ASN  10          1HB       ASN  10  -3.473  -6.556  -4.133
   77   1HD2  ASN  10          1HD2      ASN  10  -5.687  -8.462  -4.009
   78   2HD2  ASN  10          2HD2      ASN  10  -5.388  -9.651  -5.181
   79    HA   PRO  11           HA       PRO  11   1.196  -7.890  -6.289
   80   1HB   PRO  11          2HB       PRO  11   1.626 -10.549  -6.806
   81   2HB   PRO  11          1HB       PRO  11   2.440  -9.674  -5.493
   82   1HG   PRO  11          2HG       PRO  11   0.043 -11.452  -5.379
   83   2HG   PRO  11          1HG       PRO  11   1.431 -11.363  -4.281
   84   1HD   PRO  11          2HD       PRO  11  -0.935 -10.222  -3.682
   85   2HD   PRO  11          1HD       PRO  11   0.612  -9.503  -3.179
   86    H    ASN  12           H        ASN  12  -1.575 -10.087  -6.285
   87    HA   ASN  12           HA       ASN  12  -1.777 -10.196  -9.206
   88   1HB   ASN  12          2HB       ASN  12  -2.527 -12.082  -7.935
   89   2HB   ASN  12          1HB       ASN  12  -3.472 -11.062  -6.851
   90   1HD2  ASN  12          1HD2      ASN  12  -5.572 -10.368  -7.556
   91   2HD2  ASN  12          2HD2      ASN  12  -6.287 -10.931  -8.989
   92    H    ASP  13           H        ASP  13  -2.678  -7.992  -6.755
   93    HA   ASP  13           HA       ASP  13  -4.065  -6.264  -8.678
   94   1HB   ASP  13          2HB       ASP  13  -5.471  -8.149  -7.023
   95   2HB   ASP  13          1HB       ASP  13  -5.875  -6.517  -6.491
   96    H    ASP  14           H        ASP  14  -1.835  -5.460  -7.584
   97    HA   ASP  14           HA       ASP  14  -1.492  -4.544  -5.010
   98   1HB   ASP  14          2HB       ASP  14  -0.181  -2.725  -6.060
   99   2HB   ASP  14          1HB       ASP  14   0.066  -4.255  -6.905
  100    H    LYS  15           H        LYS  15  -2.289  -2.863  -3.730
  101    HA   LYS  15           HA       LYS  15  -4.413  -1.123  -4.934
  102   1HB   LYS  15          2HB       LYS  15  -5.326  -3.030  -3.622
  103   2HB   LYS  15          1HB       LYS  15  -4.413  -2.477  -2.218
  104   1HG   LYS  15          2HG       LYS  15  -6.031  -0.995  -1.711
  105   2HG   LYS  15          1HG       LYS  15  -5.889  -0.263  -3.310
  106   1HD   LYS  15          2HD       LYS  15  -7.356  -2.865  -3.010
  107   2HD   LYS  15          1HD       LYS  15  -8.168  -1.357  -2.586
  108   1HE   LYS  15          2HE       LYS  15  -7.837  -0.463  -4.809
  109   2HE   LYS  15          1HE       LYS  15  -6.795  -1.828  -5.253
  110   1HZ   LYS  15          1HZ       LYS  15  -8.539  -3.287  -5.274
  111   2HZ   LYS  15          2HZ       LYS  15  -9.338  -1.883  -5.801
  112   3HZ   LYS  15          3HZ       LYS  15  -9.468  -2.383  -4.182
  113    H    CYS  16           H        CYS  16  -1.801  -1.486  -2.592
  114    HA   CYS  16           HA       CYS  16  -1.947   0.751  -0.980
  115   1HB   CYS  16          2HB       CYS  16  -0.096  -0.947  -1.122
  116   2HB   CYS  16          1HB       CYS  16   0.494  -0.125  -2.567
  117    H    CYS  17           H        CYS  17  -1.363   2.997  -1.222
  118    HA   CYS  17           HA       CYS  17  -2.223   4.396  -3.467
  119   1HB   CYS  17          2HB       CYS  17   0.110   5.068  -1.636
  120   2HB   CYS  17          1HB       CYS  17  -0.847   6.226  -2.557
  121    H    ARG  18           H        ARG  18  -0.719   5.642  -5.070
  122    HA   ARG  18           HA       ARG  18   1.321   3.696  -6.071
  123   1HB   ARG  18          2HB       ARG  18   0.877   5.067  -8.234
  124   2HB   ARG  18          1HB       ARG  18  -0.373   3.958  -7.672
  125   1HG   ARG  18          2HG       ARG  18  -0.474   6.733  -6.600
  126   2HG   ARG  18          1HG       ARG  18  -0.897   6.525  -8.301
  127   1HD   ARG  18          2HD       ARG  18  -2.188   4.415  -6.923
  128   2HD   ARG  18          1HD       ARG  18  -2.483   5.887  -5.976
  129    HE   ARG  18           HE       ARG  18  -3.295   5.459  -8.791
  130   1HH1  ARG  18          1HH2      ARG  18  -2.075   8.061  -7.129
  131   2HH1  ARG  18          2HH2      ARG  18  -3.487   9.056  -7.258
  132   1HH2  ARG  18          1HH1      ARG  18  -5.483   6.515  -8.517
  133   2HH2  ARG  18          2HH1      ARG  18  -5.416   8.179  -8.045
  134    HA   PRO  19           HA       PRO  19   3.454   7.899  -5.479
  135   1HB   PRO  19          2HB       PRO  19   4.164   8.033  -2.847
  136   2HB   PRO  19          1HB       PRO  19   2.657   8.732  -3.472
  137   1HG   PRO  19          2HG       PRO  19   3.091   6.248  -1.935
  138   2HG   PRO  19          1HG       PRO  19   1.705   7.342  -1.946
  139   1HD   PRO  19          2HD       PRO  19   1.841   4.892  -3.263
  140   2HD   PRO  19          1HD       PRO  19   0.676   6.190  -3.586
  141    H    LYS  20           H        LYS  20   4.322   5.385  -6.309
  142    HA   LYS  20           HA       LYS  20   6.412   4.389  -6.749
  143   1HB   LYS  20          2HB       LYS  20   8.243   5.587  -6.125
  144   2HB   LYS  20          1HB       LYS  20   7.054   6.758  -5.569
  145   1HG   LYS  20          2HG       LYS  20   7.167   5.196  -3.374
  146   2HG   LYS  20          1HG       LYS  20   8.796   4.928  -3.993
  147   1HD   LYS  20          2HD       LYS  20   7.625   7.699  -3.703
  148   2HD   LYS  20          1HD       LYS  20   8.502   6.909  -2.392
  149   1HE   LYS  20          2HE       LYS  20  10.487   7.422  -3.354
  150   2HE   LYS  20          1HE       LYS  20   9.981   6.673  -4.882
  151   1HZ   LYS  20          1HZ       LYS  20  10.116   8.878  -5.481
  152   2HZ   LYS  20          2HZ       LYS  20   9.611   9.444  -3.961
  153   3HZ   LYS  20          3HZ       LYS  20   8.482   8.770  -5.036
  154    H    LEU  21           H        LEU  21   4.345   3.252  -4.920
  155    HA   LEU  21           HA       LEU  21   6.166   1.580  -3.205
  156   1HB   LEU  21          2HB       LEU  21   3.295   2.461  -2.885
  157   2HB   LEU  21          1HB       LEU  21   3.983   1.161  -1.928
  158    HG   LEU  21           HG       LEU  21   5.692   3.535  -1.967
  159   1HD1  LEU  21          1HD1      LEU  21   3.177   3.856  -0.366
  160   2HD1  LEU  21          2HD1      LEU  21   3.163   4.335  -2.063
  161   3HD1  LEU  21          3HD1      LEU  21   4.297   5.090  -0.945
  162   1HD2  LEU  21          1HD2      LEU  21   4.893   2.977   0.629
  163   2HD2  LEU  21          2HD2      LEU  21   6.285   2.260  -0.181
  164   3HD2  LEU  21          3HD2      LEU  21   4.736   1.415  -0.171
  165    H    LYS  22           H        LYS  22   5.208  -0.657  -2.853
  166    HA   LYS  22           HA       LYS  22   3.406  -1.728  -4.847
  167   1HB   LYS  22          2HB       LYS  22   6.110  -1.409  -5.515
  168   2HB   LYS  22          1HB       LYS  22   5.948  -3.121  -5.122
  169   1HG   LYS  22          2HG       LYS  22   4.376  -3.498  -6.811
  170   2HG   LYS  22          1HG       LYS  22   3.911  -1.799  -6.895
  171   1HD   LYS  22          2HD       LYS  22   5.557  -1.303  -8.371
  172   2HD   LYS  22          1HD       LYS  22   6.749  -2.264  -7.496
  173   1HE   LYS  22          2HE       LYS  22   5.595  -4.338  -8.448
  174   2HE   LYS  22          1HE       LYS  22   4.722  -3.234  -9.529
  175   1HZ   LYS  22          1HZ       LYS  22   7.677  -3.328  -9.212
  176   2HZ   LYS  22          2HZ       LYS  22   6.813  -2.323 -10.276
  177   3HZ   LYS  22          3HZ       LYS  22   6.822  -4.006 -10.510
  178    H    CYS  23           H        CYS  23   2.546  -3.687  -4.102
  179    HA   CYS  23           HA       CYS  23   2.567  -4.542  -1.505
  180   1HB   CYS  23          2HB       CYS  23   1.181  -5.506  -3.287
  181   2HB   CYS  23          1HB       CYS  23   2.602  -6.257  -4.008
  182    H    SER  24           H        SER  24   3.798  -5.947  -0.200
  183    HA   SER  24           HA       SER  24   6.430  -6.893  -1.258
  184   1HB   SER  24          2HB       SER  24   5.812  -4.845   0.752
  185   2HB   SER  24          1HB       SER  24   6.916  -6.078   1.351
  186    HG   SER  24           HG       SER  24   7.873  -5.644  -0.933
  187    H    LYS  25           H        LYS  25   6.878  -8.966  -0.583
  188    HA   LYS  25           HA       LYS  25   4.905 -10.463   0.941
  189   1HB   LYS  25          2HB       LYS  25   7.171 -10.885  -0.797
  190   2HB   LYS  25          1HB       LYS  25   7.310 -11.922   0.622
  191   1HG   LYS  25          2HG       LYS  25   4.675 -11.706  -0.808
  192   2HG   LYS  25          1HG       LYS  25   5.932 -12.764  -1.448
  193   1HD   LYS  25          2HD       LYS  25   5.979 -14.085   0.525
  194   2HD   LYS  25          1HD       LYS  25   5.087 -12.877   1.450
  195   1HE   LYS  25          2HE       LYS  25   3.158 -13.272  -0.230
  196   2HE   LYS  25          1HE       LYS  25   4.039 -14.745  -0.683
  197   1HZ   LYS  25          1HZ       LYS  25   4.124 -15.367   1.656
  198   2HZ   LYS  25          2HZ       LYS  25   2.514 -15.187   1.145
  199   3HZ   LYS  25          3HZ       LYS  25   3.253 -13.975   2.080
  200    H    LEU  26           H        LEU  26   8.088  -9.074   1.655
  201    HA   LEU  26           HA       LEU  26   8.961 -10.360   3.917
  202   1HB   LEU  26          2HB       LEU  26   8.985  -7.651   2.840
  203   2HB   LEU  26          1HB       LEU  26   9.076  -7.650   4.599
  204    HG   LEU  26           HG       LEU  26  11.304  -7.806   3.332
  205   1HD1  LEU  26          1HD1      LEU  26  11.956  -8.483   5.377
  206   2HD1  LEU  26          2HD1      LEU  26  11.538 -10.141   4.943
  207   3HD1  LEU  26          3HD1      LEU  26  10.336  -9.099   5.704
  208   1HD2  LEU  26          1HD2      LEU  26  10.628 -10.731   3.092
  209   2HD2  LEU  26          2HD2      LEU  26  11.901  -9.818   2.282
  210   3HD2  LEU  26          3HD2      LEU  26  10.221  -9.623   1.782
  211    H    PHE  27           H        PHE  27   6.149  -8.196   3.739
  212    HA   PHE  27           HA       PHE  27   5.284  -9.240   6.404
  213   1HB   PHE  27          2HB       PHE  27   5.747  -6.416   5.499
  214   2HB   PHE  27          1HB       PHE  27   4.491  -6.756   6.691
  215    HD1  PHE  27           1HD      PHE  27   5.041  -7.540   8.921
  216    HD2  PHE  27           2HD      PHE  27   8.114  -6.882   5.995
  217    HE1  PHE  27           1HE      PHE  27   6.765  -7.705  10.694
  218    HE2  PHE  27           2HE      PHE  27   9.839  -7.048   7.765
  219    HZ   PHE  27           HZ       PHE  27   9.166  -7.459  10.118
  220    H    LYS  28           H        LYS  28   4.546  -9.008   3.227
  221    HA   LYS  28           HA       LYS  28   2.485  -9.303   2.084
  222   1HB   LYS  28          2HB       LYS  28   1.028  -9.130   4.704
  223   2HB   LYS  28          1HB       LYS  28   0.746 -10.219   3.349
  224   1HG   LYS  28          2HG       LYS  28   3.319 -10.879   4.214
  225   2HG   LYS  28          1HG       LYS  28   2.424 -10.595   5.708
  226   1HD   LYS  28          2HD       LYS  28   1.529 -12.416   3.450
  227   2HD   LYS  28          1HD       LYS  28   2.238 -12.955   4.972
  228   1HE   LYS  28          2HE       LYS  28   0.288 -12.654   6.113
  229   2HE   LYS  28          1HE       LYS  28  -0.040 -11.108   5.307
  230   1HZ   LYS  28          1HZ       LYS  28  -1.607 -12.411   4.305
  231   2HZ   LYS  28          2HZ       LYS  28  -0.684 -13.832   4.432
  232   3HZ   LYS  28          3HZ       LYS  28  -0.313 -12.676   3.242
  233    H    LEU  29           H        LEU  29   3.657  -6.676   3.117
  234    HA   LEU  29           HA       LEU  29   1.164  -5.011   2.880
  235   1HB   LEU  29          2HB       LEU  29   3.733  -4.102   4.178
  236   2HB   LEU  29          1HB       LEU  29   2.094  -3.519   4.454
  237    HG   LEU  29           HG       LEU  29   3.133  -6.256   5.238
  238   1HD1  LEU  29          1HD1      LEU  29   4.076  -4.815   6.815
  239   2HD1  LEU  29          2HD1      LEU  29   2.530  -5.204   7.567
  240   3HD1  LEU  29          3HD1      LEU  29   2.736  -3.672   6.720
  241   1HD2  LEU  29          1HD2      LEU  29   0.473  -5.182   4.869
  242   2HD2  LEU  29          2HD2      LEU  29   0.728  -5.596   6.565
  243   3HD2  LEU  29          3HD2      LEU  29   0.953  -6.821   5.316
  244    H    CYS  30           H        CYS  30   1.803  -2.729   1.987
  245    HA   CYS  30           HA       CYS  30   3.345  -3.199  -0.474
  246   1HB   CYS  30          2HB       CYS  30   2.114  -1.405  -1.276
  247   2HB   CYS  30          1HB       CYS  30   1.028  -2.033  -0.049
  248    H    ASN  31           H        ASN  31   5.408  -2.576  -0.745
  249    HA   ASN  31           HA       ASN  31   6.628  -0.699   1.251
  250   1HB   ASN  31          2HB       ASN  31   7.302  -3.226   0.794
  251   2HB   ASN  31          1HB       ASN  31   8.165  -2.522  -0.572
  252   1HD2  ASN  31          1HD2      ASN  31   9.619  -3.716   1.564
  253   2HD2  ASN  31          2HD2      ASN  31  10.445  -2.498   2.411
  254    H    PHE  32           H        PHE  32   9.002  -0.618  -0.633
  255    HA   PHE  32           HA       PHE  32   8.332   1.802  -2.042
  256   1HB   PHE  32          2HB       PHE  32  10.607   0.124  -1.473
  257   2HB   PHE  32          1HB       PHE  32  10.629   0.579  -3.173
  258    HD1  PHE  32           1HD      PHE  32  11.512   2.650  -3.780
  259    HD2  PHE  32           2HD      PHE  32  10.036   2.080   0.212
  260    HE1  PHE  32           1HE      PHE  32  12.290   4.924  -3.168
  261    HE2  PHE  32           2HE      PHE  32  10.814   4.352   0.825
  262    HZ   PHE  32           HZ       PHE  32  11.941   5.776  -0.864
  263    H    SER  33           H        SER  33   9.440   1.489  -4.554
  264    HA   SER  33           HA       SER  33   7.301   0.008  -5.969
  265   1HB   SER  33          2HB       SER  33   9.084   2.286  -6.401
  266   2HB   SER  33          1HB       SER  33   9.006   1.230  -7.808
  267    HG   SER  33           HG       SER  33   7.345   2.838  -7.764
  268    H    PHE  34           H        PHE  34   8.437  -2.086  -5.135
  269    HA   PHE  34           HA       PHE  34  10.811  -2.794  -6.808
  270   1HB   PHE  34          2HB       PHE  34  10.379  -3.040  -4.158
  271   2HB   PHE  34          1HB       PHE  34   9.713  -4.583  -4.692
  272    HD1  PHE  34           1HD      PHE  34  12.724  -2.384  -5.052
  273    HD2  PHE  34           2HD      PHE  34  11.136  -6.391  -5.171
  274    HE1  PHE  34           1HE      PHE  34  15.028  -3.290  -5.302
  275    HE2  PHE  34           2HE      PHE  34  13.442  -7.298  -5.424
  276    HZ   PHE  34           HZ       PHE  34  15.389  -5.746  -5.484
  277   1HN   NH2  35          1HN       NH2  35   7.660  -4.320  -5.623
  278   2HN   NH2  35          2HN       NH2  35   7.392  -5.285  -7.098
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1  -9.121   6.351  -2.695
    2   2H    GLY   1          2HT       GLY   1  -9.782   7.336  -1.479
    3   3H    GLY   1          3HT       GLY   1  -9.494   5.688  -1.179
    4   1HA   GLY   1          2HA       GLY   1  -7.280   7.495  -1.917
    5   2HA   GLY   1          1HA       GLY   1  -7.837   7.380  -0.246
    6    H    CYS   2           H        CYS   2  -5.538   6.189  -2.232
    7    HA   CYS   2           HA       CYS   2  -5.545   3.385  -1.963
    8   1HB   CYS   2          2HB       CYS   2  -3.023   3.735  -2.058
    9   2HB   CYS   2          1HB       CYS   2  -3.942   4.522  -3.336
   10    H    LEU   3           H        LEU   3  -3.416   2.538  -0.495
   11    HA   LEU   3           HA       LEU   3  -4.359   2.948   2.295
   12   1HB   LEU   3          2HB       LEU   3  -2.685   0.886   0.845
   13   2HB   LEU   3          1HB       LEU   3  -2.942   0.852   2.588
   14    HG   LEU   3           HG       LEU   3  -5.479   1.063   1.934
   15   1HD1  LEU   3          1HD1      LEU   3  -4.104   0.275  -0.613
   16   2HD1  LEU   3          2HD1      LEU   3  -5.489   1.342  -0.376
   17   3HD1  LEU   3          3HD1      LEU   3  -5.689  -0.407  -0.253
   18   1HD2  LEU   3          1HD2      LEU   3  -3.667  -1.146   2.352
   19   2HD2  LEU   3          2HD2      LEU   3  -4.953  -1.634   1.249
   20   3HD2  LEU   3          3HD2      LEU   3  -5.355  -0.997   2.843
   21    H    GLU   4           H        GLU   4  -2.272   2.420   3.841
   22    HA   GLU   4           HA       GLU   4  -0.589   4.771   3.697
   23   1HB   GLU   4          2HB       GLU   4  -1.386   2.820   5.555
   24   2HB   GLU   4          1HB       GLU   4   0.363   2.637   5.425
   25   1HG   GLU   4          2HG       GLU   4   0.472   5.199   5.655
   26   2HG   GLU   4          1HG       GLU   4  -1.205   5.102   6.191
   27    H    PHE   5           H        PHE   5   1.924   3.899   4.386
   28    HA   PHE   5           HA       PHE   5   2.927   2.886   1.797
   29   1HB   PHE   5          2HB       PHE   5   4.533   4.389   2.312
   30   2HB   PHE   5          1HB       PHE   5   3.729   4.703   3.844
   31    HD1  PHE   5           1HD      PHE   5   4.482   3.635   5.912
   32    HD2  PHE   5           2HD      PHE   5   6.413   2.817   2.162
   33    HE1  PHE   5           1HE      PHE   5   6.374   2.578   7.116
   34    HE2  PHE   5           2HE      PHE   5   8.305   1.761   3.368
   35    HZ   PHE   5           HZ       PHE   5   8.286   1.641   5.845
   36    H    TRP   6           H        TRP   6   1.738   1.297   4.357
   37    HA   TRP   6           HA       TRP   6   3.395  -1.089   3.864
   38   1HB   TRP   6          2HB       TRP   6   4.635   0.381   5.520
   39   2HB   TRP   6          1HB       TRP   6   3.278   0.170   6.627
   40    HD1  TRP   6           HD       TRP   6   3.583  -1.728   8.268
   41    HE1  TRP   6           1HE      TRP   6   4.889  -3.951   8.312
   42    HE3  TRP   6           3HE      TRP   6   5.635  -1.640   3.595
   43    HZ2  TRP   6           2HZ      TRP   6   6.581  -5.487   6.593
   44    HZ3  TRP   6           3HZ      TRP   6   7.090  -3.492   2.824
   45    HH2  TRP   6           HH       TRP   6   7.564  -5.414   4.315
   46    H    TRP   7           H        TRP   7   0.755  -0.943   3.305
   47    HA   TRP   7           HA       TRP   7  -0.639  -2.190   5.651
   48   1HB   TRP   7          2HB       TRP   7  -1.428  -0.438   3.352
   49   2HB   TRP   7          1HB       TRP   7  -2.634  -1.555   3.992
   50    HD1  TRP   7           HD       TRP   7  -0.286  -0.541   6.637
   51    HE1  TRP   7           1HE      TRP   7  -1.346   1.242   8.169
   52    HE3  TRP   7           3HE      TRP   7  -4.360   0.726   3.831
   53    HZ2  TRP   7           2HZ      TRP   7  -3.621   2.975   8.200
   54    HZ3  TRP   7           3HZ      TRP   7  -5.955   2.444   4.634
   55    HH2  TRP   7           HH       TRP   7  -5.591   3.569   6.814
   56    H    LYS   8           H        LYS   8  -2.185  -3.982   4.993
   57    HA   LYS   8           HA       LYS   8  -0.976  -6.115   3.673
   58   1HB   LYS   8          2HB       LYS   8  -3.925  -5.576   3.367
   59   2HB   LYS   8          1HB       LYS   8  -3.119  -7.112   3.648
   60   1HG   LYS   8          2HG       LYS   8  -3.713  -6.810   5.815
   61   2HG   LYS   8          1HG       LYS   8  -2.363  -5.675   5.865
   62   1HD   LYS   8          2HD       LYS   8  -4.002  -4.236   6.577
   63   2HD   LYS   8          1HD       LYS   8  -4.259  -4.052   4.841
   64   1HE   LYS   8          2HE       LYS   8  -5.684  -6.244   6.345
   65   2HE   LYS   8          1HE       LYS   8  -6.336  -4.594   6.328
   66   1HZ   LYS   8          1HZ       LYS   8  -5.922  -4.674   3.842
   67   2HZ   LYS   8          2HZ       LYS   8  -7.221  -5.604   4.421
   68   3HZ   LYS   8          3HZ       LYS   8  -5.750  -6.351   4.019
   69    H    CYS   9           H        CYS   9  -1.131  -6.916   1.485
   70    HA   CYS   9           HA       CYS   9  -2.317  -5.207  -0.599
   71   1HB   CYS   9          2HB       CYS   9  -0.165  -4.657  -1.623
   72   2HB   CYS   9          1HB       CYS   9  -0.156  -4.125   0.059
   73    H    ASN  10           H        ASN  10  -1.205  -6.131  -2.832
   74    HA   ASN  10           HA       ASN  10  -0.715  -9.029  -2.732
   75   1HB   ASN  10          2HB       ASN  10  -3.286  -8.329  -2.577
   76   2HB   ASN  10          1HB       ASN  10  -3.101  -8.161  -4.324
   77   1HD2  ASN  10          1HD2      ASN  10  -4.404 -10.076  -4.781
   78   2HD2  ASN  10          2HD2      ASN  10  -3.831 -11.637  -4.442
   79    HA   PRO  11           HA       PRO  11   1.541  -7.409  -6.242
   80   1HB   PRO  11          2HB       PRO  11   2.629  -9.830  -6.972
   81   2HB   PRO  11          1HB       PRO  11   3.271  -8.826  -5.655
   82   1HG   PRO  11          2HG       PRO  11   1.420 -11.172  -5.509
   83   2HG   PRO  11          1HG       PRO  11   2.838 -10.796  -4.511
   84   1HD   PRO  11          2HD       PRO  11   0.366 -10.312  -3.615
   85   2HD   PRO  11          1HD       PRO  11   1.702  -9.188  -3.266
   86    H    ASN  12           H        ASN  12  -1.046  -9.632  -6.141
   87    HA   ASN  12           HA       ASN  12  -1.181 -10.063  -9.065
   88   1HB   ASN  12          2HB       ASN  12  -1.825 -11.788  -7.375
   89   2HB   ASN  12          1HB       ASN  12  -3.102 -10.715  -6.801
   90   1HD2  ASN  12          1HD2      ASN  12  -4.765 -10.054  -8.534
   91   2HD2  ASN  12          2HD2      ASN  12  -5.148 -11.196  -9.732
   92    H    ASP  13           H        ASP  13  -2.260  -7.823  -6.689
   93    HA   ASP  13           HA       ASP  13  -3.447  -6.031  -8.614
   94   1HB   ASP  13          2HB       ASP  13  -5.083  -8.061  -8.216
   95   2HB   ASP  13          1HB       ASP  13  -5.443  -7.227  -6.703
   96    H    ASP  14           H        ASP  14  -1.520  -5.532  -6.768
   97    HA   ASP  14           HA       ASP  14  -2.249  -4.797  -4.139
   98   1HB   ASP  14          2HB       ASP  14  -0.188  -3.571  -4.190
   99   2HB   ASP  14          1HB       ASP  14   0.034  -4.940  -5.280
  100    H    LYS  15           H        LYS  15  -2.785  -2.709  -3.244
  101    HA   LYS  15           HA       LYS  15  -4.037  -0.808  -5.199
  102   1HB   LYS  15          2HB       LYS  15  -5.630  -2.279  -3.929
  103   2HB   LYS  15          1HB       LYS  15  -5.014  -1.579  -2.432
  104   1HG   LYS  15          2HG       LYS  15  -6.698  -0.072  -2.732
  105   2HG   LYS  15          1HG       LYS  15  -5.565   0.680  -3.855
  106   1HD   LYS  15          2HD       LYS  15  -6.920  -1.473  -5.194
  107   2HD   LYS  15          1HD       LYS  15  -8.117  -0.413  -4.447
  108   1HE   LYS  15          2HE       LYS  15  -6.642   1.517  -5.472
  109   2HE   LYS  15          1HE       LYS  15  -6.085   0.235  -6.567
  110   1HZ   LYS  15          1HZ       LYS  15  -7.981   0.761  -7.657
  111   2HZ   LYS  15          2HZ       LYS  15  -8.742   1.397  -6.279
  112   3HZ   LYS  15          3HZ       LYS  15  -8.681  -0.283  -6.518
  113    H    CYS  16           H        CYS  16  -1.793  -1.242  -2.651
  114    HA   CYS  16           HA       CYS  16  -1.866   1.051  -1.089
  115   1HB   CYS  16          2HB       CYS  16  -0.147  -0.865  -1.194
  116   2HB   CYS  16          1HB       CYS  16   0.646   0.062  -2.469
  117    H    CYS  17           H        CYS  17  -0.981   3.218  -1.374
  118    HA   CYS  17           HA       CYS  17  -1.689   4.656  -3.626
  119   1HB   CYS  17          2HB       CYS  17   0.781   5.053  -1.904
  120   2HB   CYS  17          1HB       CYS  17  -0.045   6.306  -2.825
  121    H    ARG  18           H        ARG  18  -0.699   5.128  -5.649
  122    HA   ARG  18           HA       ARG  18   1.544   3.299  -6.372
  123   1HB   ARG  18          2HB       ARG  18  -0.957   3.887  -7.467
  124   2HB   ARG  18          1HB       ARG  18   0.193   4.682  -8.543
  125   1HG   ARG  18          2HG       ARG  18   0.012   2.488  -9.413
  126   2HG   ARG  18          1HG       ARG  18   1.506   2.457  -8.474
  127   1HD   ARG  18          2HD       ARG  18   0.098   1.604  -6.510
  128   2HD   ARG  18          1HD       ARG  18  -1.202   1.346  -7.690
  129    HE   ARG  18           HE       ARG  18   1.113  -0.324  -7.429
  130   1HH1  ARG  18          1HH1      ARG  18  -1.611  -0.480  -9.057
  131   2HH1  ARG  18          2HH1      ARG  18  -0.965  -0.850 -10.621
  132   1HH2  ARG  18          1HH2      ARG  18   2.295  -0.044  -9.760
  133   2HH2  ARG  18          2HH2      ARG  18   1.244  -0.603 -11.018
  134    HA   PRO  19           HA       PRO  19   2.969   7.752  -7.339
  135   1HB   PRO  19          2HB       PRO  19   3.659   8.964  -4.994
  136   2HB   PRO  19          1HB       PRO  19   2.052   9.143  -5.722
  137   1HG   PRO  19          2HG       PRO  19   2.910   7.498  -3.420
  138   2HG   PRO  19          1HG       PRO  19   1.362   8.295  -3.730
  139   1HD   PRO  19          2HD       PRO  19   1.885   5.586  -4.068
  140   2HD   PRO  19          1HD       PRO  19   0.513   6.476  -4.763
  141    H    LYS  20           H        LYS  20   3.936   5.432  -4.925
  142    HA   LYS  20           HA       LYS  20   6.551   5.029  -6.028
  143   1HB   LYS  20          2HB       LYS  20   7.859   6.140  -4.233
  144   2HB   LYS  20          1HB       LYS  20   6.874   7.305  -5.117
  145   1HG   LYS  20          2HG       LYS  20   5.284   7.462  -3.373
  146   2HG   LYS  20          1HG       LYS  20   5.855   5.980  -2.605
  147   1HD   LYS  20          2HD       LYS  20   6.681   7.850  -1.310
  148   2HD   LYS  20          1HD       LYS  20   8.048   7.137  -2.166
  149   1HE   LYS  20          2HE       LYS  20   8.247   8.939  -3.626
  150   2HE   LYS  20          1HE       LYS  20   6.531   9.368  -3.491
  151   1HZ   LYS  20          1HZ       LYS  20   8.088   9.424  -1.031
  152   2HZ   LYS  20          2HZ       LYS  20   6.850  10.463  -1.553
  153   3HZ   LYS  20          3HZ       LYS  20   8.430  10.649  -2.152
  154    H    LEU  21           H        LEU  21   4.341   3.425  -5.002
  155    HA   LEU  21           HA       LEU  21   5.802   1.938  -2.847
  156   1HB   LEU  21          2HB       LEU  21   2.817   2.446  -2.983
  157   2HB   LEU  21          1HB       LEU  21   3.692   1.673  -1.663
  158    HG   LEU  21           HG       LEU  21   4.197   4.520  -2.576
  159   1HD1  LEU  21          1HD1      LEU  21   2.588   5.274  -1.153
  160   2HD1  LEU  21          2HD1      LEU  21   2.939   4.034   0.050
  161   3HD1  LEU  21          3HD1      LEU  21   1.910   3.656  -1.332
  162   1HD2  LEU  21          1HD2      LEU  21   4.866   3.502   0.141
  163   2HD2  LEU  21          2HD2      LEU  21   5.746   4.639  -0.880
  164   3HD2  LEU  21          3HD2      LEU  21   5.857   2.907  -1.190
  165    H    LYS  22           H        LYS  22   5.005  -0.344  -2.681
  166    HA   LYS  22           HA       LYS  22   3.451  -1.463  -4.858
  167   1HB   LYS  22          2HB       LYS  22   5.967  -0.929  -5.541
  168   2HB   LYS  22          1HB       LYS  22   6.272  -2.451  -4.703
  169   1HG   LYS  22          2HG       LYS  22   3.967  -2.557  -6.523
  170   2HG   LYS  22          1HG       LYS  22   5.497  -2.236  -7.338
  171   1HD   LYS  22          2HD       LYS  22   5.360  -4.407  -5.269
  172   2HD   LYS  22          1HD       LYS  22   4.760  -4.722  -6.899
  173   1HE   LYS  22          2HE       LYS  22   7.261  -3.383  -7.181
  174   2HE   LYS  22          1HE       LYS  22   7.487  -4.693  -6.005
  175   1HZ   LYS  22          1HZ       LYS  22   7.522  -5.164  -8.582
  176   2HZ   LYS  22          2HZ       LYS  22   5.839  -5.229  -8.362
  177   3HZ   LYS  22          3HZ       LYS  22   6.852  -6.278  -7.492
  178    H    CYS  23           H        CYS  23   2.600  -3.459  -4.213
  179    HA   CYS  23           HA       CYS  23   2.558  -4.317  -1.573
  180   1HB   CYS  23          2HB       CYS  23   1.164  -5.149  -3.494
  181   2HB   CYS  23          1HB       CYS  23   2.548  -6.096  -4.035
  182    H    SER  24           H        SER  24   3.772  -5.799  -0.328
  183    HA   SER  24           HA       SER  24   6.372  -6.728  -1.493
  184   1HB   SER  24          2HB       SER  24   5.789  -4.858   0.671
  185   2HB   SER  24          1HB       SER  24   6.787  -6.198   1.228
  186    HG   SER  24           HG       SER  24   7.430  -5.047  -1.226
  187    H    LYS  25           H        LYS  25   5.983  -8.936  -1.550
  188    HA   LYS  25           HA       LYS  25   4.289 -10.371   0.253
  189   1HB   LYS  25          2HB       LYS  25   5.301 -12.323  -0.822
  190   2HB   LYS  25          1HB       LYS  25   5.028 -11.068  -2.031
  191   1HG   LYS  25          2HG       LYS  25   7.255 -10.737  -2.378
  192   2HG   LYS  25          1HG       LYS  25   7.651 -10.938  -0.671
  193   1HD   LYS  25          2HD       LYS  25   6.810 -13.280  -2.382
  194   2HD   LYS  25          1HD       LYS  25   8.494 -12.761  -2.286
  195   1HE   LYS  25          2HE       LYS  25   7.196 -12.987   0.348
  196   2HE   LYS  25          1HE       LYS  25   7.319 -14.526  -0.526
  197   1HZ   LYS  25          1HZ       LYS  25   9.603 -12.678  -0.546
  198   2HZ   LYS  25          2HZ       LYS  25   9.587 -14.371  -0.688
  199   3HZ   LYS  25          3HZ       LYS  25   9.348 -13.640   0.827
  200    H    LEU  26           H        LEU  26   7.576  -9.254   0.557
  201    HA   LEU  26           HA       LEU  26   8.743 -11.075   2.335
  202   1HB   LEU  26          2HB       LEU  26   8.884  -8.192   1.721
  203   2HB   LEU  26          1HB       LEU  26   9.453  -8.605   3.336
  204    HG   LEU  26           HG       LEU  26  11.192  -8.668   1.441
  205   1HD1  LEU  26          1HD1      LEU  26  11.352  -9.763   3.739
  206   2HD1  LEU  26          2HD1      LEU  26  12.349 -10.487   2.477
  207   3HD1  LEU  26          3HD1      LEU  26  10.839 -11.260   2.961
  208   1HD2  LEU  26          1HD2      LEU  26  11.132 -10.376  -0.135
  209   2HD2  LEU  26          2HD2      LEU  26   9.408 -10.042   0.035
  210   3HD2  LEU  26          3HD2      LEU  26  10.127 -11.414   0.878
  211    H    PHE  27           H        PHE  27   6.235  -8.652   2.951
  212    HA   PHE  27           HA       PHE  27   5.769  -9.919   5.623
  213   1HB   PHE  27          2HB       PHE  27   6.256  -7.060   4.872
  214   2HB   PHE  27          1HB       PHE  27   5.160  -7.424   6.206
  215    HD1  PHE  27           1HD      PHE  27   6.011  -7.887   8.342
  216    HD2  PHE  27           2HD      PHE  27   8.579  -8.223   4.919
  217    HE1  PHE  27           1HE      PHE  27   7.949  -8.283   9.834
  218    HE2  PHE  27           2HE      PHE  27  10.519  -8.621   6.409
  219    HZ   PHE  27           HZ       PHE  27  10.204  -8.650   8.871
  220    H    LYS  28           H        LYS  28   4.517  -9.291   2.647
  221    HA   LYS  28           HA       LYS  28   2.291  -9.515   1.854
  222   1HB   LYS  28          2HB       LYS  28   1.334  -9.438   4.710
  223   2HB   LYS  28          1HB       LYS  28   0.693 -10.361   3.353
  224   1HG   LYS  28          2HG       LYS  28   3.378 -11.213   3.711
  225   2HG   LYS  28          1HG       LYS  28   2.642 -11.165   5.313
  226   1HD   LYS  28          2HD       LYS  28   0.984 -12.336   3.138
  227   2HD   LYS  28          1HD       LYS  28   2.383 -13.280   3.649
  228   1HE   LYS  28          2HE       LYS  28   1.588 -13.008   6.040
  229   2HE   LYS  28          1HE       LYS  28   0.092 -12.312   5.386
  230   1HZ   LYS  28          1HZ       LYS  28   1.191 -15.025   4.988
  231   2HZ   LYS  28          2HZ       LYS  28   0.107 -14.354   3.864
  232   3HZ   LYS  28          3HZ       LYS  28  -0.369 -14.576   5.479
  233    H    LEU  29           H        LEU  29   3.671  -6.913   2.888
  234    HA   LEU  29           HA       LEU  29   1.160  -5.260   2.876
  235   1HB   LEU  29          2HB       LEU  29   3.764  -4.631   4.306
  236   2HB   LEU  29          1HB       LEU  29   2.233  -3.773   4.458
  237    HG   LEU  29           HG       LEU  29   1.983  -6.645   4.990
  238   1HD1  LEU  29          1HD1      LEU  29   3.349  -5.137   7.177
  239   2HD1  LEU  29          2HD1      LEU  29   4.347  -5.784   5.876
  240   3HD1  LEU  29          3HD1      LEU  29   3.345  -6.869   6.840
  241   1HD2  LEU  29          1HD2      LEU  29   0.820  -4.126   5.736
  242   2HD2  LEU  29          2HD2      LEU  29   1.291  -4.988   7.201
  243   3HD2  LEU  29          3HD2      LEU  29   0.202  -5.750   6.042
  244    H    CYS  30           H        CYS  30   1.700  -2.937   2.109
  245    HA   CYS  30           HA       CYS  30   3.320  -3.180  -0.343
  246   1HB   CYS  30          2HB       CYS  30   2.031  -1.374  -1.074
  247   2HB   CYS  30          1HB       CYS  30   0.924  -2.216  -0.007
  248    H    ASN  31           H        ASN  31   5.290  -2.245  -0.612
  249    HA   ASN  31           HA       ASN  31   6.271  -0.414   1.560
  250   1HB   ASN  31          2HB       ASN  31   7.213  -2.839   1.035
  251   2HB   ASN  31          1HB       ASN  31   8.067  -1.991  -0.254
  252   1HD2  ASN  31          1HD2      ASN  31   7.257  -0.897   3.084
  253   2HD2  ASN  31          2HD2      ASN  31   8.863  -0.584   3.530
  254    H    PHE  32           H        PHE  32   8.684   0.154  -0.055
  255    HA   PHE  32           HA       PHE  32   7.564   2.325  -1.697
  256   1HB   PHE  32          2HB       PHE  32  10.292   1.407  -0.788
  257   2HB   PHE  32          1HB       PHE  32  10.128   2.688  -1.990
  258    HD1  PHE  32           1HD      PHE  32  10.237   1.967   1.483
  259    HD2  PHE  32           2HD      PHE  32   8.432   4.612  -1.381
  260    HE1  PHE  32           1HE      PHE  32   9.780   3.608   3.286
  261    HE2  PHE  32           2HE      PHE  32   7.975   6.252   0.422
  262    HZ   PHE  32           HZ       PHE  32   8.648   5.750   2.756
  263    H    SER  33           H        SER  33   9.106   2.594  -3.853
  264    HA   SER  33           HA       SER  33   8.696   0.058  -5.390
  265   1HB   SER  33          2HB       SER  33   8.399   2.977  -5.914
  266   2HB   SER  33          1HB       SER  33   8.904   1.972  -7.268
  267    HG   SER  33           HG       SER  33   6.548   2.258  -6.838
  268    H    PHE  34           H        PHE  34  10.918   2.808  -4.987
  269    HA   PHE  34           HA       PHE  34  13.065   1.192  -6.318
  270   1HB   PHE  34          2HB       PHE  34  12.500   4.147  -5.999
  271   2HB   PHE  34          1HB       PHE  34  14.083   3.563  -6.509
  272    HD1  PHE  34           1HD      PHE  34  14.368   2.356  -8.646
  273    HD2  PHE  34           2HD      PHE  34  10.558   3.978  -7.442
  274    HE1  PHE  34           1HE      PHE  34  13.523   2.100 -10.974
  275    HE2  PHE  34           2HE      PHE  34   9.713   3.718  -9.770
  276    HZ   PHE  34           HZ       PHE  34  11.196   2.784 -11.536
  277   1HN   NH2  35          1HN       NH2  35  12.958   3.968  -3.890
  278   2HN   NH2  35          2HN       NH2  35  14.072   3.203  -2.725
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1  -9.158   4.748  -3.208
    2   2H    GLY   1          2HT       GLY   1 -10.129   6.072  -2.769
    3   3H    GLY   1          3HT       GLY   1 -10.267   4.599  -1.933
    4   1HA   GLY   1          2HA       GLY   1  -8.047   6.554  -1.855
    5   2HA   GLY   1          1HA       GLY   1  -9.022   5.954  -0.511
    6    H    CYS   2           H        CYS   2  -6.178   5.451  -2.335
    7    HA   CYS   2           HA       CYS   2  -5.716   2.675  -2.061
    8   1HB   CYS   2          2HB       CYS   2  -3.307   3.429  -2.120
    9   2HB   CYS   2          1HB       CYS   2  -4.308   4.113  -3.393
   10    H    LEU   3           H        LEU   3  -3.532   2.206  -0.534
   11    HA   LEU   3           HA       LEU   3  -4.584   2.518   2.234
   12   1HB   LEU   3          2HB       LEU   3  -2.567   0.684   0.909
   13   2HB   LEU   3          1HB       LEU   3  -2.992   0.608   2.612
   14    HG   LEU   3           HG       LEU   3  -5.317   0.637   0.816
   15   1HD1  LEU   3          1HD1      LEU   3  -3.716  -1.912   0.913
   16   2HD1  LEU   3          2HD1      LEU   3  -3.453  -0.738  -0.377
   17   3HD1  LEU   3          3HD1      LEU   3  -5.040  -1.482  -0.169
   18   1HD2  LEU   3          1HD2      LEU   3  -5.747  -1.442   2.335
   19   2HD2  LEU   3          2HD2      LEU   3  -5.757   0.158   3.076
   20   3HD2  LEU   3          3HD2      LEU   3  -4.337  -0.877   3.229
   21    H    GLU   4           H        GLU   4  -1.995   1.904   3.427
   22    HA   GLU   4           HA       GLU   4  -0.779   4.614   3.288
   23   1HB   GLU   4          2HB       GLU   4  -1.567   2.997   5.342
   24   2HB   GLU   4          1HB       GLU   4   0.147   2.591   5.242
   25   1HG   GLU   4          2HG       GLU   4   0.207   4.425   6.675
   26   2HG   GLU   4          1HG       GLU   4   0.449   5.209   5.113
   27    H    PHE   5           H        PHE   5   1.767   4.084   4.147
   28    HA   PHE   5           HA       PHE   5   3.031   3.071   1.707
   29   1HB   PHE   5          2HB       PHE   5   4.188   4.888   2.480
   30   2HB   PHE   5          1HB       PHE   5   3.696   4.613   4.149
   31    HD1  PHE   5           1HD      PHE   5   6.264   4.032   1.628
   32    HD2  PHE   5           2HD      PHE   5   4.892   2.918   5.544
   33    HE1  PHE   5           1HE      PHE   5   8.483   3.039   2.124
   34    HE2  PHE   5           2HE      PHE   5   7.111   1.926   6.039
   35    HZ   PHE   5           HZ       PHE   5   8.905   1.987   4.330
   36    H    TRP   6           H        TRP   6   1.821   1.436   4.338
   37    HA   TRP   6           HA       TRP   6   3.536  -0.900   3.797
   38   1HB   TRP   6          2HB       TRP   6   4.787   0.604   5.404
   39   2HB   TRP   6          1HB       TRP   6   3.467   0.389   6.553
   40    HD1  TRP   6           HD       TRP   6   4.270  -1.235   8.332
   41    HE1  TRP   6           1HE      TRP   6   5.473  -3.512   8.344
   42    HE3  TRP   6           3HE      TRP   6   5.225  -1.753   3.345
   43    HZ2  TRP   6           2HZ      TRP   6   6.683  -5.319   6.482
   44    HZ3  TRP   6           3HZ      TRP   6   6.401  -3.760   2.492
   45    HH2  TRP   6           HH       TRP   6   7.132  -5.540   4.052
   46    H    TRP   7           H        TRP   7   0.775  -0.613   3.433
   47    HA   TRP   7           HA       TRP   7  -0.461  -2.030   5.764
   48   1HB   TRP   7          2HB       TRP   7  -1.378  -0.240   3.540
   49   2HB   TRP   7          1HB       TRP   7  -2.532  -1.396   4.207
   50    HD1  TRP   7           HD       TRP   7  -0.182  -0.480   6.843
   51    HE1  TRP   7           1HE      TRP   7  -1.200   1.291   8.421
   52    HE3  TRP   7           3HE      TRP   7  -4.189   0.979   4.045
   53    HZ2  TRP   7           2HZ      TRP   7  -3.424   3.092   8.479
   54    HZ3  TRP   7           3HZ      TRP   7  -5.742   2.722   4.880
   55    HH2  TRP   7           HH       TRP   7  -5.363   3.781   7.091
   56    H    LYS   8           H        LYS   8  -1.958  -3.865   5.141
   57    HA   LYS   8           HA       LYS   8  -0.804  -5.919   3.709
   58   1HB   LYS   8          2HB       LYS   8  -3.379  -6.428   3.145
   59   2HB   LYS   8          1HB       LYS   8  -2.729  -6.602   4.766
   60   1HG   LYS   8          2HG       LYS   8  -3.646  -4.528   5.472
   61   2HG   LYS   8          1HG       LYS   8  -3.930  -3.999   3.814
   62   1HD   LYS   8          2HD       LYS   8  -5.266  -6.528   4.523
   63   2HD   LYS   8          1HD       LYS   8  -5.839  -5.126   5.427
   64   1HE   LYS   8          2HE       LYS   8  -6.579  -4.018   3.496
   65   2HE   LYS   8          1HE       LYS   8  -5.503  -4.950   2.435
   66   1HZ   LYS   8          1HZ       LYS   8  -7.714  -6.146   4.019
   67   2HZ   LYS   8          2HZ       LYS   8  -6.757  -6.920   2.849
   68   3HZ   LYS   8          3HZ       LYS   8  -7.857  -5.712   2.386
   69    H    CYS   9           H        CYS   9  -1.192  -6.748   1.502
   70    HA   CYS   9           HA       CYS   9  -2.247  -4.844  -0.495
   71   1HB   CYS   9          2HB       CYS   9  -0.048  -4.610  -1.596
   72   2HB   CYS   9          1HB       CYS   9   0.015  -4.016   0.064
   73    H    ASN  10           H        ASN  10  -1.187  -5.817  -2.768
   74    HA   ASN  10           HA       ASN  10  -1.184  -8.761  -2.798
   75   1HB   ASN  10          2HB       ASN  10  -3.587  -7.948  -2.629
   76   2HB   ASN  10          1HB       ASN  10  -3.360  -7.184  -4.202
   77   1HD2  ASN  10          1HD2      ASN  10  -5.199  -8.842  -4.720
   78   2HD2  ASN  10          2HD2      ASN  10  -4.704 -10.386  -5.222
   79    HA   PRO  11           HA       PRO  11   1.473  -7.384  -6.119
   80   1HB   PRO  11          2HB       PRO  11   2.202  -9.903  -6.940
   81   2HB   PRO  11          1HB       PRO  11   2.912  -9.093  -5.528
   82   1HG   PRO  11          2HG       PRO  11   0.722 -11.123  -5.634
   83   2HG   PRO  11          1HG       PRO  11   2.106 -11.020  -4.532
   84   1HD   PRO  11          2HD       PRO  11  -0.344 -10.211  -3.784
   85   2HD   PRO  11          1HD       PRO  11   1.123  -9.364  -3.238
   86    H    ASN  12           H        ASN  12  -1.363  -9.346  -6.293
   87    HA   ASN  12           HA       ASN  12  -1.400  -9.367  -9.262
   88   1HB   ASN  12          2HB       ASN  12  -2.093 -11.312  -7.803
   89   2HB   ASN  12          1HB       ASN  12  -3.441 -10.331  -7.231
   90   1HD2  ASN  12          1HD2      ASN  12  -2.850 -12.748  -9.369
   91   2HD2  ASN  12          2HD2      ASN  12  -3.979 -12.366 -10.578
   92    H    ASP  13           H        ASP  13  -2.718  -7.638  -6.536
   93    HA   ASP  13           HA       ASP  13  -4.108  -5.777  -8.408
   94   1HB   ASP  13          2HB       ASP  13  -5.660  -7.540  -7.468
   95   2HB   ASP  13          1HB       ASP  13  -5.310  -6.905  -5.861
   96    H    ASP  14           H        ASP  14  -1.696  -5.122  -7.372
   97    HA   ASP  14           HA       ASP  14  -1.253  -4.125  -4.857
   98   1HB   ASP  14          2HB       ASP  14  -0.584  -3.314  -7.628
   99   2HB   ASP  14          1HB       ASP  14  -0.311  -2.082  -6.395
  100    H    LYS  15           H        LYS  15  -2.572  -2.947  -3.529
  101    HA   LYS  15           HA       LYS  15  -4.424  -0.947  -4.758
  102   1HB   LYS  15          2HB       LYS  15  -5.079  -2.952  -3.198
  103   2HB   LYS  15          1HB       LYS  15  -4.486  -1.907  -1.907
  104   1HG   LYS  15          2HG       LYS  15  -6.458  -0.824  -1.931
  105   2HG   LYS  15          1HG       LYS  15  -6.097  -0.278  -3.568
  106   1HD   LYS  15          2HD       LYS  15  -6.921  -2.998  -3.745
  107   2HD   LYS  15          1HD       LYS  15  -8.089  -2.158  -2.725
  108   1HE   LYS  15          2HE       LYS  15  -7.547  -0.377  -4.845
  109   2HE   LYS  15          1HE       LYS  15  -7.751  -1.973  -5.594
  110   1HZ   LYS  15          1HZ       LYS  15  -9.926  -1.286  -5.338
  111   2HZ   LYS  15          2HZ       LYS  15  -9.622  -0.482  -3.873
  112   3HZ   LYS  15          3HZ       LYS  15  -9.688  -2.179  -3.917
  113    H    CYS  16           H        CYS  16  -1.709  -1.319  -2.562
  114    HA   CYS  16           HA       CYS  16  -1.758   0.964  -0.986
  115   1HB   CYS  16          2HB       CYS  16   0.032  -0.824  -1.206
  116   2HB   CYS  16          1HB       CYS  16   0.625   0.041  -2.624
  117    H    CYS  17           H        CYS  17  -1.218   3.189  -1.336
  118    HA   CYS  17           HA       CYS  17  -2.128   4.501  -3.600
  119   1HB   CYS  17          2HB       CYS  17   0.264   5.239  -1.878
  120   2HB   CYS  17          1HB       CYS  17  -0.723   6.363  -2.812
  121    H    ARG  18           H        ARG  18  -0.779   5.618  -5.362
  122    HA   ARG  18           HA       ARG  18   1.335   3.714  -6.300
  123   1HB   ARG  18          2HB       ARG  18  -1.062   4.641  -7.422
  124   2HB   ARG  18          1HB       ARG  18   0.215   5.476  -8.309
  125   1HG   ARG  18          2HG       ARG  18  -0.105   3.425  -9.465
  126   2HG   ARG  18          1HG       ARG  18   1.360   3.199  -8.508
  127   1HD   ARG  18          2HD       ARG  18   0.409   1.487  -7.366
  128   2HD   ARG  18          1HD       ARG  18  -0.991   2.495  -6.949
  129    HE   ARG  18           HE       ARG  18  -0.824   1.385  -9.707
  130   1HH1  ARG  18          1HH2      ARG  18  -3.112   2.738  -7.954
  131   2HH1  ARG  18          2HH2      ARG  18  -4.178   1.379  -7.818
  132   1HH2  ARG  18          1HH1      ARG  18  -1.835  -0.912  -8.944
  133   2HH2  ARG  18          2HH1      ARG  18  -3.456  -0.685  -8.378
  134    HA   PRO  19           HA       PRO  19   3.062   8.125  -6.160
  135   1HB   PRO  19          2HB       PRO  19   4.273   8.231  -3.707
  136   2HB   PRO  19          1HB       PRO  19   2.611   8.791  -3.977
  137   1HG   PRO  19          2HG       PRO  19   3.581   6.258  -2.768
  138   2HG   PRO  19          1HG       PRO  19   2.165   7.238  -2.357
  139   1HD   PRO  19          2HD       PRO  19   2.077   4.917  -3.833
  140   2HD   PRO  19          1HD       PRO  19   0.848   6.200  -3.891
  141    H    LYS  20           H        LYS  20   4.177   5.112  -4.748
  142    HA   LYS  20           HA       LYS  20   6.264   4.556  -6.539
  143   1HB   LYS  20          2HB       LYS  20   8.215   5.293  -5.025
  144   2HB   LYS  20          1HB       LYS  20   7.372   6.576  -5.887
  145   1HG   LYS  20          2HG       LYS  20   6.086   7.147  -3.921
  146   2HG   LYS  20          1HG       LYS  20   6.698   5.738  -3.055
  147   1HD   LYS  20          2HD       LYS  20   7.950   7.660  -2.297
  148   2HD   LYS  20          1HD       LYS  20   9.020   6.691  -3.312
  149   1HE   LYS  20          2HE       LYS  20   8.719   8.183  -5.190
  150   2HE   LYS  20          1HE       LYS  20   7.430   9.065  -4.347
  151   1HZ   LYS  20          1HZ       LYS  20  10.162   8.760  -3.235
  152   2HZ   LYS  20          2HZ       LYS  20   8.932   9.809  -2.708
  153   3HZ   LYS  20          3HZ       LYS  20   9.711  10.086  -4.192
  154    H    LEU  21           H        LEU  21   4.282   3.278  -4.750
  155    HA   LEU  21           HA       LEU  21   6.111   1.605  -3.069
  156   1HB   LEU  21          2HB       LEU  21   3.139   2.162  -2.801
  157   2HB   LEU  21          1HB       LEU  21   4.123   1.245  -1.662
  158    HG   LEU  21           HG       LEU  21   5.112   3.964  -2.314
  159   1HD1  LEU  21          1HD1      LEU  21   2.805   4.562  -2.153
  160   2HD1  LEU  21          2HD1      LEU  21   3.486   4.890  -0.561
  161   3HD1  LEU  21          3HD1      LEU  21   2.530   3.432  -0.828
  162   1HD2  LEU  21          1HD2      LEU  21   6.323   3.346  -0.510
  163   2HD2  LEU  21          2HD2      LEU  21   5.279   1.953  -0.223
  164   3HD2  LEU  21          3HD2      LEU  21   4.857   3.527   0.453
  165    H    LYS  22           H        LYS  22   5.195  -0.678  -2.782
  166    HA   LYS  22           HA       LYS  22   3.492  -1.714  -4.890
  167   1HB   LYS  22          2HB       LYS  22   6.392  -1.594  -5.112
  168   2HB   LYS  22          1HB       LYS  22   5.808  -3.256  -5.217
  169   1HG   LYS  22          2HG       LYS  22   4.016  -2.199  -6.843
  170   2HG   LYS  22          1HG       LYS  22   5.229  -0.930  -7.017
  171   1HD   LYS  22          2HD       LYS  22   6.886  -2.505  -7.771
  172   2HD   LYS  22          1HD       LYS  22   5.847  -3.873  -7.365
  173   1HE   LYS  22          2HE       LYS  22   4.690  -1.866  -9.239
  174   2HE   LYS  22          1HE       LYS  22   5.993  -2.891  -9.875
  175   1HZ   LYS  22          1HZ       LYS  22   4.183  -4.260 -10.153
  176   2HZ   LYS  22          2HZ       LYS  22   3.383  -3.679  -8.772
  177   3HZ   LYS  22          3HZ       LYS  22   4.699  -4.740  -8.610
  178    H    CYS  23           H        CYS  23   2.538  -3.620  -4.163
  179    HA   CYS  23           HA       CYS  23   2.553  -4.454  -1.536
  180   1HB   CYS  23          2HB       CYS  23   1.069  -5.259  -3.395
  181   2HB   CYS  23          1HB       CYS  23   2.395  -6.269  -3.968
  182    H    SER  24           H        SER  24   3.901  -5.597  -0.219
  183    HA   SER  24           HA       SER  24   6.374  -6.778  -1.435
  184   1HB   SER  24          2HB       SER  24   5.858  -4.854   0.705
  185   2HB   SER  24          1HB       SER  24   6.878  -6.186   1.242
  186    HG   SER  24           HG       SER  24   7.911  -5.685  -0.982
  187    H    LYS  25           H        LYS  25   6.161  -8.971  -1.341
  188    HA   LYS  25           HA       LYS  25   4.367 -10.402   0.363
  189   1HB   LYS  25          2HB       LYS  25   6.772 -11.048  -1.336
  190   2HB   LYS  25          1HB       LYS  25   5.988 -12.313  -0.389
  191   1HG   LYS  25          2HG       LYS  25   4.616 -12.530  -2.185
  192   2HG   LYS  25          1HG       LYS  25   3.834 -11.077  -1.562
  193   1HD   LYS  25          2HD       LYS  25   4.357 -10.697  -3.894
  194   2HD   LYS  25          1HD       LYS  25   5.452  -9.710  -2.925
  195   1HE   LYS  25          2HE       LYS  25   7.242 -11.357  -3.187
  196   2HE   LYS  25          1HE       LYS  25   6.146 -12.445  -4.060
  197   1HZ   LYS  25          1HZ       LYS  25   7.553 -10.180  -5.041
  198   2HZ   LYS  25          2HZ       LYS  25   5.882  -9.967  -5.259
  199   3HZ   LYS  25          3HZ       LYS  25   6.658 -11.334  -5.903
  200    H    LEU  26           H        LEU  26   7.675  -9.294   0.813
  201    HA   LEU  26           HA       LEU  26   8.718 -10.922   2.788
  202   1HB   LEU  26          2HB       LEU  26   8.671  -7.947   2.330
  203   2HB   LEU  26          1HB       LEU  26   9.509  -8.597   3.739
  204    HG   LEU  26           HG       LEU  26  10.265 -10.220   1.548
  205   1HD1  LEU  26          1HD1      LEU  26   9.395  -7.902   0.440
  206   2HD1  LEU  26          2HD1      LEU  26  10.726  -8.850  -0.225
  207   3HD1  LEU  26          3HD1      LEU  26  11.063  -7.460   0.806
  208   1HD2  LEU  26          1HD2      LEU  26  11.806  -7.961   2.861
  209   2HD2  LEU  26          2HD2      LEU  26  12.485  -9.389   2.078
  210   3HD2  LEU  26          3HD2      LEU  26  11.584  -9.553   3.586
  211    H    PHE  27           H        PHE  27   6.138  -8.505   3.162
  212    HA   PHE  27           HA       PHE  27   5.476  -9.752   5.800
  213   1HB   PHE  27          2HB       PHE  27   6.077  -6.901   5.093
  214   2HB   PHE  27          1HB       PHE  27   4.907  -7.247   6.369
  215    HD1  PHE  27           1HD      PHE  27   5.585  -8.191   8.480
  216    HD2  PHE  27           2HD      PHE  27   8.426  -7.672   5.302
  217    HE1  PHE  27           1HE      PHE  27   7.436  -8.644  10.062
  218    HE2  PHE  27           2HE      PHE  27  10.280  -8.125   6.885
  219    HZ   PHE  27           HZ       PHE  27   9.786  -8.612   9.265
  220    H    LYS  28           H        LYS  28   4.415  -9.199   2.769
  221    HA   LYS  28           HA       LYS  28   2.226  -9.281   1.855
  222   1HB   LYS  28          2HB       LYS  28   1.104  -9.176   4.644
  223   2HB   LYS  28          1HB       LYS  28   0.550 -10.119   3.262
  224   1HG   LYS  28          2HG       LYS  28   3.114 -11.087   3.693
  225   2HG   LYS  28          1HG       LYS  28   2.511 -10.812   5.328
  226   1HD   LYS  28          2HD       LYS  28   0.326 -11.971   4.185
  227   2HD   LYS  28          1HD       LYS  28   1.619 -12.774   3.293
  228   1HE   LYS  28          2HE       LYS  28   1.510 -14.178   5.143
  229   2HE   LYS  28          1HE       LYS  28   2.655 -12.976   5.773
  230   1HZ   LYS  28          1HZ       LYS  28   1.109 -12.067   7.108
  231   2HZ   LYS  28          2HZ       LYS  28   0.320 -13.561   6.949
  232   3HZ   LYS  28          3HZ       LYS  28  -0.142 -12.247   5.978
  233    H    LEU  29           H        LEU  29   3.689  -6.785   3.043
  234    HA   LEU  29           HA       LEU  29   1.281  -4.984   3.078
  235   1HB   LEU  29          2HB       LEU  29   4.022  -4.419   4.244
  236   2HB   LEU  29          1HB       LEU  29   2.513  -3.574   4.577
  237    HG   LEU  29           HG       LEU  29   3.123  -6.450   5.310
  238   1HD1  LEU  29          1HD1      LEU  29   2.674  -5.354   7.648
  239   2HD1  LEU  29          2HD1      LEU  29   3.061  -3.847   6.817
  240   3HD1  LEU  29          3HD1      LEU  29   4.254  -5.144   6.894
  241   1HD2  LEU  29          1HD2      LEU  29   0.881  -6.699   5.376
  242   2HD2  LEU  29          2HD2      LEU  29   0.642  -5.006   4.947
  243   3HD2  LEU  29          3HD2      LEU  29   0.830  -5.469   6.638
  244    H    CYS  30           H        CYS  30   1.854  -2.731   2.199
  245    HA   CYS  30           HA       CYS  30   3.315  -3.112  -0.335
  246   1HB   CYS  30          2HB       CYS  30   1.971  -1.397  -1.084
  247   2HB   CYS  30          1HB       CYS  30   0.959  -2.036   0.195
  248    H    ASN  31           H        ASN  31   5.366  -2.448  -0.595
  249    HA   ASN  31           HA       ASN  31   6.498  -0.485   1.378
  250   1HB   ASN  31          2HB       ASN  31   7.250  -3.007   1.031
  251   2HB   ASN  31          1HB       ASN  31   8.140  -2.327  -0.329
  252   1HD2  ASN  31          1HD2      ASN  31  10.230  -2.628   0.706
  253   2HD2  ASN  31          2HD2      ASN  31  10.709  -1.687   2.035
  254    H    PHE  32           H        PHE  32   8.919  -0.247  -0.314
  255    HA   PHE  32           HA       PHE  32   8.016   1.932  -2.034
  256   1HB   PHE  32          2HB       PHE  32  10.627   0.596  -1.325
  257   2HB   PHE  32          1HB       PHE  32  10.562   1.832  -2.581
  258    HD1  PHE  32           1HD      PHE  32  11.548   1.542   0.608
  259    HD2  PHE  32           2HD      PHE  32   8.633   3.759  -1.639
  260    HE1  PHE  32           1HE      PHE  32  11.560   3.315   2.340
  261    HE2  PHE  32           2HE      PHE  32   8.646   5.533   0.095
  262    HZ   PHE  32           HZ       PHE  32  10.109   5.311   2.084
  263    H    SER  33           H        SER  33   9.332   1.842  -4.341
  264    HA   SER  33           HA       SER  33   7.949  -0.079  -5.958
  265   1HB   SER  33          2HB       SER  33   8.597   1.911  -7.016
  266   2HB   SER  33          1HB       SER  33  10.206   1.878  -6.301
  267    HG   SER  33           HG       SER  33  10.311   1.273  -8.473
  268    H    PHE  34           H        PHE  34  11.169  -0.061  -4.503
  269    HA   PHE  34           HA       PHE  34  11.412  -2.956  -4.954
  270   1HB   PHE  34          2HB       PHE  34  12.443  -1.022  -6.801
  271   2HB   PHE  34          1HB       PHE  34  13.807  -1.813  -6.011
  272    HD1  PHE  34           1HD      PHE  34  12.462  -2.025  -8.961
  273    HD2  PHE  34           2HD      PHE  34  12.571  -4.482  -5.418
  274    HE1  PHE  34           1HE      PHE  34  12.091  -4.055 -10.356
  275    HE2  PHE  34           2HE      PHE  34  12.202  -6.511  -6.812
  276    HZ   PHE  34           HZ       PHE  34  11.962  -6.297  -9.282
  277   1HN   NH2  35          1HN       NH2  35  12.975   0.181  -3.898
  278   2HN   NH2  35          2HN       NH2  35  13.882  -0.532  -2.537
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1 -10.815   5.438  -2.249
    2   2H    GLY   1          2HT       GLY   1 -10.166   3.870  -2.193
    3   3H    GLY   1          3HT       GLY   1 -10.192   4.730  -3.658
    4   1HA   GLY   1          2HA       GLY   1  -8.458   6.088  -3.084
    5   2HA   GLY   1          1HA       GLY   1  -8.763   5.872  -1.360
    6    H    CYS   2           H        CYS   2  -6.362   5.403  -1.370
    7    HA   CYS   2           HA       CYS   2  -5.876   2.529  -2.048
    8   1HB   CYS   2          2HB       CYS   2  -3.464   3.408  -2.298
    9   2HB   CYS   2          1HB       CYS   2  -4.604   3.826  -3.569
   10    H    LEU   3           H        LEU   3  -3.547   2.071  -0.746
   11    HA   LEU   3           HA       LEU   3  -4.308   2.427   2.104
   12   1HB   LEU   3          2HB       LEU   3  -2.159   0.681   0.891
   13   2HB   LEU   3          1HB       LEU   3  -2.995   0.462   2.420
   14    HG   LEU   3           HG       LEU   3  -4.239   0.245  -0.333
   15   1HD1  LEU   3          1HD1      LEU   3  -3.330  -1.735   1.741
   16   2HD1  LEU   3          2HD1      LEU   3  -3.076  -1.760  -0.004
   17   3HD1  LEU   3          3HD1      LEU   3  -4.664  -2.142   0.662
   18   1HD2  LEU   3          1HD2      LEU   3  -5.784  -0.740   1.942
   19   2HD2  LEU   3          2HD2      LEU   3  -6.279   0.344   0.642
   20   3HD2  LEU   3          3HD2      LEU   3  -5.463   0.988   2.066
   21    H    GLU   4           H        GLU   4  -1.963   2.187   3.419
   22    HA   GLU   4           HA       GLU   4  -0.626   4.768   2.886
   23   1HB   GLU   4          2HB       GLU   4  -1.194   2.996   5.104
   24   2HB   GLU   4          1HB       GLU   4   0.519   3.416   5.085
   25   1HG   GLU   4          2HG       GLU   4  -0.016   5.792   5.030
   26   2HG   GLU   4          1HG       GLU   4  -1.738   5.433   4.899
   27    H    PHE   5           H        PHE   5   1.907   4.364   3.775
   28    HA   PHE   5           HA       PHE   5   3.212   3.142   1.496
   29   1HB   PHE   5          2HB       PHE   5   4.475   4.882   2.259
   30   2HB   PHE   5          1HB       PHE   5   3.831   4.748   3.891
   31    HD1  PHE   5           1HD      PHE   5   4.701   2.812   5.363
   32    HD2  PHE   5           2HD      PHE   5   6.647   4.104   1.758
   33    HE1  PHE   5           1HE      PHE   5   6.800   1.724   6.107
   34    HE2  PHE   5           2HE      PHE   5   8.747   3.015   2.502
   35    HZ   PHE   5           HZ       PHE   5   8.824   1.824   4.676
   36    H    TRP   6           H        TRP   6   1.820   1.632   4.119
   37    HA   TRP   6           HA       TRP   6   3.445  -0.792   3.688
   38   1HB   TRP   6          2HB       TRP   6   4.664   0.745   5.322
   39   2HB   TRP   6          1HB       TRP   6   3.321   0.490   6.436
   40    HD1  TRP   6           HD       TRP   6   3.674  -1.417   8.059
   41    HE1  TRP   6           1HE      TRP   6   5.055  -3.596   8.089
   42    HE3  TRP   6           3HE      TRP   6   5.744  -1.215   3.395
   43    HZ2  TRP   6           2HZ      TRP   6   6.804  -5.059   6.361
   44    HZ3  TRP   6           3HZ      TRP   6   7.261  -3.010   2.614
   45    HH2  TRP   6           HH       TRP   6   7.795  -4.930   4.089
   46    H    TRP   7           H        TRP   7   0.803  -0.663   3.126
   47    HA   TRP   7           HA       TRP   7  -0.600  -1.847   5.502
   48   1HB   TRP   7          2HB       TRP   7  -1.400  -0.216   3.109
   49   2HB   TRP   7          1HB       TRP   7  -2.593  -1.291   3.836
   50    HD1  TRP   7           HD       TRP   7  -0.176  -0.022   6.337
   51    HE1  TRP   7           1HE      TRP   7  -1.252   1.836   7.767
   52    HE3  TRP   7           3HE      TRP   7  -4.393   0.869   3.599
   53    HZ2  TRP   7           2HZ      TRP   7  -3.593   3.479   7.753
   54    HZ3  TRP   7           3HZ      TRP   7  -6.028   2.583   4.328
   55    HH2  TRP   7           HH       TRP   7  -5.634   3.888   6.400
   56    H    LYS   8           H        LYS   8  -2.173  -3.670   4.814
   57    HA   LYS   8           HA       LYS   8  -0.911  -5.844   3.638
   58   1HB   LYS   8          2HB       LYS   8  -3.833  -5.181   3.225
   59   2HB   LYS   8          1HB       LYS   8  -3.112  -6.774   3.401
   60   1HG   LYS   8          2HG       LYS   8  -2.297  -5.840   5.722
   61   2HG   LYS   8          1HG       LYS   8  -3.624  -4.698   5.506
   62   1HD   LYS   8          2HD       LYS   8  -4.544  -7.331   4.820
   63   2HD   LYS   8          1HD       LYS   8  -3.780  -7.388   6.409
   64   1HE   LYS   8          2HE       LYS   8  -5.789  -6.615   7.177
   65   2HE   LYS   8          1HE       LYS   8  -5.260  -5.046   6.536
   66   1HZ   LYS   8          1HZ       LYS   8  -7.348  -5.590   5.531
   67   2HZ   LYS   8          2HZ       LYS   8  -6.800  -7.137   5.092
   68   3HZ   LYS   8          3HZ       LYS   8  -6.142  -5.759   4.349
   69    H    CYS   9           H        CYS   9  -1.155  -6.798   1.444
   70    HA   CYS   9           HA       CYS   9  -1.999  -5.020  -0.747
   71   1HB   CYS   9          2HB       CYS   9   0.249  -4.817  -1.683
   72   2HB   CYS   9          1HB       CYS   9   0.258  -4.220  -0.024
   73    H    ASN  10           H        ASN  10  -1.374  -6.109  -2.921
   74    HA   ASN  10           HA       ASN  10  -0.918  -9.010  -2.830
   75   1HB   ASN  10          2HB       ASN  10  -3.446  -8.167  -2.332
   76   2HB   ASN  10          1HB       ASN  10  -3.497  -8.236  -4.094
   77   1HD2  ASN  10          1HD2      ASN  10  -3.845 -10.280  -4.999
   78   2HD2  ASN  10          2HD2      ASN  10  -3.683 -11.747  -4.161
   79    HA   PRO  11           HA       PRO  11   0.720  -7.566  -6.734
   80   1HB   PRO  11          2HB       PRO  11   1.606 -10.035  -7.567
   81   2HB   PRO  11          1HB       PRO  11   2.493  -9.020  -6.409
   82   1HG   PRO  11          2HG       PRO  11   0.645 -11.311  -5.880
   83   2HG   PRO  11          1HG       PRO  11   2.219 -10.945  -5.150
   84   1HD   PRO  11          2HD       PRO  11  -0.062 -10.379  -3.866
   85   2HD   PRO  11          1HD       PRO  11   1.346  -9.294  -3.766
   86    H    ASN  12           H        ASN  12  -1.791  -9.804  -6.090
   87    HA   ASN  12           HA       ASN  12  -2.562 -10.020  -8.967
   88   1HB   ASN  12          2HB       ASN  12  -2.426 -11.963  -7.236
   89   2HB   ASN  12          1HB       ASN  12  -3.920 -11.289  -6.583
   90   1HD2  ASN  12          1HD2      ASN  12  -3.087 -13.770  -8.434
   91   2HD2  ASN  12          2HD2      ASN  12  -4.317 -13.755  -9.603
   92    H    ASP  13           H        ASP  13  -2.897  -7.816  -6.620
   93    HA   ASP  13           HA       ASP  13  -5.197  -6.511  -7.730
   94   1HB   ASP  13          2HB       ASP  13  -5.627  -8.623  -5.798
   95   2HB   ASP  13          1HB       ASP  13  -6.173  -7.085  -5.128
   96    H    ASP  14           H        ASP  14  -2.684  -5.600  -7.154
   97    HA   ASP  14           HA       ASP  14  -1.926  -4.577  -4.716
   98   1HB   ASP  14          2HB       ASP  14  -0.941  -4.320  -7.081
   99   2HB   ASP  14          1HB       ASP  14  -1.971  -2.896  -7.226
  100    H    LYS  15           H        LYS  15  -2.247  -2.479  -3.683
  101    HA   LYS  15           HA       LYS  15  -4.728  -0.999  -4.369
  102   1HB   LYS  15          2HB       LYS  15  -5.272  -2.920  -2.839
  103   2HB   LYS  15          1HB       LYS  15  -4.190  -2.209  -1.641
  104   1HG   LYS  15          2HG       LYS  15  -5.923  -0.959  -0.928
  105   2HG   LYS  15          1HG       LYS  15  -5.857  -0.103  -2.468
  106   1HD   LYS  15          2HD       LYS  15  -7.271  -2.040  -3.406
  107   2HD   LYS  15          1HD       LYS  15  -7.570  -2.474  -1.722
  108   1HE   LYS  15          2HE       LYS  15  -7.973   0.349  -1.971
  109   2HE   LYS  15          1HE       LYS  15  -8.890  -0.458  -3.258
  110   1HZ   LYS  15          1HZ       LYS  15  -9.816  -0.301  -0.801
  111   2HZ   LYS  15          2HZ       LYS  15  -8.880  -1.705  -0.616
  112   3HZ   LYS  15          3HZ       LYS  15 -10.113  -1.653  -1.782
  113    H    CYS  16           H        CYS  16  -1.790  -1.277  -2.403
  114    HA   CYS  16           HA       CYS  16  -1.664   1.048  -0.940
  115   1HB   CYS  16          2HB       CYS  16   0.098  -0.789  -1.429
  116   2HB   CYS  16          1HB       CYS  16   0.577   0.215  -2.799
  117    H    CYS  17           H        CYS  17  -1.222   3.275  -1.383
  118    HA   CYS  17           HA       CYS  17  -2.298   4.459  -3.697
  119   1HB   CYS  17          2HB       CYS  17  -0.083   5.397  -1.840
  120   2HB   CYS  17          1HB       CYS  17  -0.967   6.443  -2.948
  121    H    ARG  18           H        ARG  18  -0.591   6.014  -5.072
  122    HA   ARG  18           HA       ARG  18   1.297   4.036  -6.287
  123   1HB   ARG  18          2HB       ARG  18  -0.794   5.633  -7.288
  124   2HB   ARG  18          1HB       ARG  18   0.699   6.335  -7.916
  125   1HG   ARG  18          2HG       ARG  18  -0.064   4.599  -9.443
  126   2HG   ARG  18          1HG       ARG  18   1.414   4.061  -8.644
  127   1HD   ARG  18          2HD       ARG  18   0.322   2.440  -7.407
  128   2HD   ARG  18          1HD       ARG  18  -1.185   3.377  -7.324
  129    HE   ARG  18           HE       ARG  18  -1.145   2.881  -9.952
  130   1HH1  ARG  18          1HH1      ARG  18  -2.251   1.006  -7.623
  131   2HH1  ARG  18          2HH1      ARG  18  -1.812  -0.529  -8.295
  132   1HH2  ARG  18          1HH2      ARG  18   0.281   0.826 -10.704
  133   2HH2  ARG  18          2HH2      ARG  18  -0.377  -0.632 -10.038
  134    HA   PRO  19           HA       PRO  19   3.689   8.011  -5.261
  135   1HB   PRO  19          2HB       PRO  19   4.374   7.848  -2.618
  136   2HB   PRO  19          1HB       PRO  19   2.929   8.712  -3.182
  137   1HG   PRO  19          2HG       PRO  19   3.162   6.041  -1.926
  138   2HG   PRO  19          1HG       PRO  19   1.881   7.250  -1.780
  139   1HD   PRO  19          2HD       PRO  19   1.735   4.982  -3.354
  140   2HD   PRO  19          1HD       PRO  19   0.755   6.446  -3.576
  141    H    LYS  20           H        LYS  20   4.438   5.656  -6.397
  142    HA   LYS  20           HA       LYS  20   6.352   4.353  -6.813
  143   1HB   LYS  20          2HB       LYS  20   7.171   6.617  -5.149
  144   2HB   LYS  20          1HB       LYS  20   8.210   5.209  -4.926
  145   1HG   LYS  20          2HG       LYS  20   7.708   5.397  -7.704
  146   2HG   LYS  20          1HG       LYS  20   8.098   7.028  -7.159
  147   1HD   LYS  20          2HD       LYS  20  10.149   6.206  -6.095
  148   2HD   LYS  20          1HD       LYS  20   9.755   4.557  -6.577
  149   1HE   LYS  20          2HE       LYS  20  11.192   5.186  -8.312
  150   2HE   LYS  20          1HE       LYS  20   9.625   5.661  -9.001
  151   1HZ   LYS  20          1HZ       LYS  20  10.911   7.561  -7.203
  152   2HZ   LYS  20          2HZ       LYS  20   9.997   7.845  -8.607
  153   3HZ   LYS  20          3HZ       LYS  20  11.624   7.373  -8.730
  154    H    LEU  21           H        LEU  21   4.337   3.318  -5.042
  155    HA   LEU  21           HA       LEU  21   5.998   1.814  -3.041
  156   1HB   LEU  21          2HB       LEU  21   2.999   2.265  -3.109
  157   2HB   LEU  21          1HB       LEU  21   3.930   1.581  -1.780
  158    HG   LEU  21           HG       LEU  21   4.046   4.423  -2.821
  159   1HD1  LEU  21          1HD1      LEU  21   2.273   4.349  -1.314
  160   2HD1  LEU  21          2HD1      LEU  21   3.615   4.693  -0.222
  161   3HD1  LEU  21          3HD1      LEU  21   2.997   3.048  -0.368
  162   1HD2  LEU  21          1HD2      LEU  21   6.272   4.152  -2.273
  163   2HD2  LEU  21          2HD2      LEU  21   5.944   2.816  -1.170
  164   3HD2  LEU  21          3HD2      LEU  21   5.638   4.476  -0.660
  165    H    LYS  22           H        LYS  22   5.205  -0.491  -2.731
  166    HA   LYS  22           HA       LYS  22   3.653  -1.693  -4.871
  167   1HB   LYS  22          2HB       LYS  22   6.141  -1.160  -5.583
  168   2HB   LYS  22          1HB       LYS  22   6.497  -2.619  -4.657
  169   1HG   LYS  22          2HG       LYS  22   6.139  -3.274  -6.957
  170   2HG   LYS  22          1HG       LYS  22   4.747  -3.817  -6.019
  171   1HD   LYS  22          2HD       LYS  22   3.479  -2.728  -7.542
  172   2HD   LYS  22          1HD       LYS  22   4.040  -1.242  -6.775
  173   1HE   LYS  22          2HE       LYS  22   5.814  -2.513  -8.832
  174   2HE   LYS  22          1HE       LYS  22   4.391  -1.606  -9.384
  175   1HZ   LYS  22          1HZ       LYS  22   5.705   0.176  -9.070
  176   2HZ   LYS  22          2HZ       LYS  22   6.778  -0.653  -8.046
  177   3HZ   LYS  22          3HZ       LYS  22   5.324  -0.027  -7.429
  178    H    CYS  23           H        CYS  23   2.735  -3.588  -4.121
  179    HA   CYS  23           HA       CYS  23   2.669  -4.427  -1.500
  180   1HB   CYS  23          2HB       CYS  23   1.292  -5.323  -3.353
  181   2HB   CYS  23          1HB       CYS  23   2.700  -6.176  -3.982
  182    H    SER  24           H        SER  24   3.872  -5.835  -0.177
  183    HA   SER  24           HA       SER  24   6.498  -6.799  -1.251
  184   1HB   SER  24          2HB       SER  24   5.923  -4.794   0.722
  185   2HB   SER  24          1HB       SER  24   6.691  -6.158   1.525
  186    HG   SER  24           HG       SER  24   8.402  -5.122   0.768
  187    H    LYS  25           H        LYS  25   6.222  -9.009  -1.220
  188    HA   LYS  25           HA       LYS  25   4.431 -10.463   0.448
  189   1HB   LYS  25          2HB       LYS  25   5.810 -11.018  -1.737
  190   2HB   LYS  25          1HB       LYS  25   6.999 -11.627  -0.584
  191   1HG   LYS  25          2HG       LYS  25   5.169 -12.998   0.469
  192   2HG   LYS  25          1HG       LYS  25   4.111 -12.502  -0.852
  193   1HD   LYS  25          2HD       LYS  25   6.439 -13.364  -2.131
  194   2HD   LYS  25          1HD       LYS  25   6.199 -14.533  -0.831
  195   1HE   LYS  25          2HE       LYS  25   4.830 -15.486  -2.449
  196   2HE   LYS  25          1HE       LYS  25   3.656 -14.377  -1.713
  197   1HZ   LYS  25          1HZ       LYS  25   5.340 -13.894  -4.108
  198   2HZ   LYS  25          2HZ       LYS  25   4.500 -12.658  -3.300
  199   3HZ   LYS  25          3HZ       LYS  25   3.646 -13.932  -4.029
  200    H    LEU  26           H        LEU  26   7.776  -9.440   0.954
  201    HA   LEU  26           HA       LEU  26   8.720 -11.043   2.987
  202   1HB   LEU  26          2HB       LEU  26   8.750  -8.073   2.490
  203   2HB   LEU  26          1HB       LEU  26   9.561  -8.732   3.909
  204    HG   LEU  26           HG       LEU  26  10.051  -9.837   1.142
  205   1HD1  LEU  26          1HD1      LEU  26  11.114  -7.918   0.619
  206   2HD1  LEU  26          2HD1      LEU  26  12.265  -8.292   1.902
  207   3HD1  LEU  26          3HD1      LEU  26  10.867  -7.273   2.242
  208   1HD2  LEU  26          1HD2      LEU  26  10.681 -10.910   3.504
  209   2HD2  LEU  26          2HD2      LEU  26  12.035  -9.786   3.383
  210   3HD2  LEU  26          3HD2      LEU  26  11.786 -11.005   2.133
  211    H    PHE  27           H        PHE  27   6.191  -8.566   3.246
  212    HA   PHE  27           HA       PHE  27   5.460  -9.706   5.915
  213   1HB   PHE  27          2HB       PHE  27   6.082  -6.889   5.092
  214   2HB   PHE  27          1HB       PHE  27   4.903  -7.181   6.373
  215    HD1  PHE  27           1HD      PHE  27   8.186  -6.360   5.945
  216    HD2  PHE  27           2HD      PHE  27   5.807  -9.338   7.924
  217    HE1  PHE  27           1HE      PHE  27  10.027  -6.760   7.557
  218    HE2  PHE  27           2HE      PHE  27   7.647  -9.740   9.535
  219    HZ   PHE  27           HZ       PHE  27   9.758  -8.449   9.353
  220    H    LYS  28           H        LYS  28   4.475  -9.137   2.818
  221    HA   LYS  28           HA       LYS  28   2.309  -9.276   1.853
  222   1HB   LYS  28          2HB       LYS  28   1.102  -9.156   4.604
  223   2HB   LYS  28          1HB       LYS  28   0.597 -10.112   3.213
  224   1HG   LYS  28          2HG       LYS  28   3.180 -11.031   3.787
  225   2HG   LYS  28          1HG       LYS  28   2.428 -10.812   5.368
  226   1HD   LYS  28          2HD       LYS  28   1.536 -12.873   4.971
  227   2HD   LYS  28          1HD       LYS  28   0.389 -11.986   3.969
  228   1HE   LYS  28          2HE       LYS  28   1.818 -12.347   1.986
  229   2HE   LYS  28          1HE       LYS  28   2.979 -13.238   2.989
  230   1HZ   LYS  28          1HZ       LYS  28   0.101 -13.936   2.860
  231   2HZ   LYS  28          2HZ       LYS  28   1.367 -14.858   3.518
  232   3HZ   LYS  28          3HZ       LYS  28   1.255 -14.641   1.836
  233    H    LEU  29           H        LEU  29   3.710  -6.753   3.007
  234    HA   LEU  29           HA       LEU  29   1.277  -4.985   2.961
  235   1HB   LEU  29          2HB       LEU  29   3.933  -4.292   4.222
  236   2HB   LEU  29          1HB       LEU  29   2.347  -3.609   4.564
  237    HG   LEU  29           HG       LEU  29   3.069  -6.498   5.131
  238   1HD1  LEU  29          1HD1      LEU  29   3.148  -4.039   6.894
  239   2HD1  LEU  29          2HD1      LEU  29   4.457  -5.175   6.570
  240   3HD1  LEU  29          3HD1      LEU  29   3.074  -5.678   7.541
  241   1HD2  LEU  29          1HD2      LEU  29   0.665  -4.773   5.425
  242   2HD2  LEU  29          2HD2      LEU  29   1.024  -5.837   6.784
  243   3HD2  LEU  29          3HD2      LEU  29   0.775  -6.515   5.175
  244    H    CYS  30           H        CYS  30   1.751  -2.791   2.002
  245    HA   CYS  30           HA       CYS  30   3.393  -3.127  -0.409
  246   1HB   CYS  30          2HB       CYS  30   2.107  -1.369  -1.227
  247   2HB   CYS  30          1HB       CYS  30   1.002  -2.111  -0.085
  248    H    ASN  31           H        ASN  31   5.425  -2.394  -0.598
  249    HA   ASN  31           HA       ASN  31   6.494  -0.537   1.492
  250   1HB   ASN  31          2HB       ASN  31   7.356  -2.965   0.757
  251   2HB   ASN  31          1HB       ASN  31   8.183  -2.026  -0.485
  252   1HD2  ASN  31          1HD2      ASN  31   8.308   0.342   1.480
  253   2HD2  ASN  31          2HD2      ASN  31   9.592  -0.052   2.516
  254    H    PHE  32           H        PHE  32   8.808  -0.151  -0.491
  255    HA   PHE  32           HA       PHE  32   7.661   2.215  -1.833
  256   1HB   PHE  32          2HB       PHE  32  10.250   1.192  -0.940
  257   2HB   PHE  32          1HB       PHE  32  10.344   1.889  -2.557
  258    HD1  PHE  32           1HD      PHE  32  10.933   4.135  -2.603
  259    HD2  PHE  32           2HD      PHE  32   8.526   2.672   0.641
  260    HE1  PHE  32           1HE      PHE  32  10.859   6.416  -1.628
  261    HE2  PHE  32           2HE      PHE  32   8.453   4.951   1.615
  262    HZ   PHE  32           HZ       PHE  32   9.620   6.823   0.481
  263    H    SER  33           H        SER  33   9.303   2.228  -4.154
  264    HA   SER  33           HA       SER  33   7.762   0.475  -5.904
  265   1HB   SER  33          2HB       SER  33   9.358   2.827  -6.042
  266   2HB   SER  33          1HB       SER  33  10.066   1.657  -7.152
  267    HG   SER  33           HG       SER  33   8.296   1.696  -8.338
  268    H    PHE  34           H        PHE  34   8.967  -1.277  -4.214
  269    HA   PHE  34           HA       PHE  34  10.799  -2.746  -5.995
  270   1HB   PHE  34          2HB       PHE  34  12.003  -0.971  -4.467
  271   2HB   PHE  34          1HB       PHE  34  11.737  -2.165  -3.197
  272    HD1  PHE  34           1HD      PHE  34  13.570  -3.529  -2.793
  273    HD2  PHE  34           2HD      PHE  34  12.728  -2.258  -6.828
  274    HE1  PHE  34           1HE      PHE  34  15.522  -4.837  -3.612
  275    HE2  PHE  34           2HE      PHE  34  14.681  -3.566  -7.647
  276    HZ   PHE  34           HZ       PHE  34  16.079  -4.857  -6.040
  277   1HN   NH2  35          1HN       NH2  35   8.845  -4.269  -5.912
  278   2HN   NH2  35          2HN       NH2  35   8.651  -5.304  -4.472
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1  -8.353   7.424   0.381
    2   2H    GLY   1          2HT       GLY   1  -8.892   5.818   0.241
    3   3H    GLY   1          3HT       GLY   1  -9.756   7.076  -0.507
    4   1HA   GLY   1          2HA       GLY   1  -8.638   6.498  -2.340
    5   2HA   GLY   1          1HA       GLY   1  -7.327   7.412  -1.591
    6    H    CYS   2           H        CYS   2  -5.486   6.248  -1.854
    7    HA   CYS   2           HA       CYS   2  -5.461   3.350  -2.057
    8   1HB   CYS   2          2HB       CYS   2  -2.978   3.767  -2.067
    9   2HB   CYS   2          1HB       CYS   2  -3.861   4.716  -3.253
   10    H    LEU   3           H        LEU   3  -3.473   2.384  -0.598
   11    HA   LEU   3           HA       LEU   3  -4.503   2.475   2.165
   12   1HB   LEU   3          2HB       LEU   3  -2.381   0.843   0.730
   13   2HB   LEU   3          1HB       LEU   3  -2.910   0.549   2.384
   14    HG   LEU   3           HG       LEU   3  -5.190   0.764   0.608
   15   1HD1  LEU   3          1HD1      LEU   3  -2.876  -0.896  -0.255
   16   2HD1  LEU   3          2HD1      LEU   3  -4.165  -0.175  -1.220
   17   3HD1  LEU   3          3HD1      LEU   3  -4.462  -1.663  -0.322
   18   1HD2  LEU   3          1HD2      LEU   3  -4.720  -0.392   2.962
   19   2HD2  LEU   3          2HD2      LEU   3  -4.323  -1.774   1.944
   20   3HD2  LEU   3          3HD2      LEU   3  -5.928  -1.048   1.858
   21    H    GLU   4           H        GLU   4  -1.946   1.784   3.377
   22    HA   GLU   4           HA       GLU   4  -0.738   4.510   3.462
   23   1HB   GLU   4          2HB       GLU   4  -1.759   3.055   5.425
   24   2HB   GLU   4          1HB       GLU   4  -0.157   2.318   5.415
   25   1HG   GLU   4          2HG       GLU   4   0.450   4.058   6.739
   26   2HG   GLU   4          1HG       GLU   4   0.422   5.012   5.256
   27    H    PHE   5           H        PHE   5   1.711   3.850   4.562
   28    HA   PHE   5           HA       PHE   5   3.179   2.959   2.197
   29   1HB   PHE   5          2HB       PHE   5   3.871   4.843   3.617
   30   2HB   PHE   5          1HB       PHE   5   4.026   3.756   4.996
   31    HD1  PHE   5           1HD      PHE   5   5.882   2.217   5.192
   32    HD2  PHE   5           2HD      PHE   5   5.436   4.692   1.710
   33    HE1  PHE   5           1HE      PHE   5   8.193   1.653   4.495
   34    HE2  PHE   5           2HE      PHE   5   7.749   4.129   1.013
   35    HZ   PHE   5           HZ       PHE   5   9.128   2.609   2.407
   36    H    TRP   6           H        TRP   6   1.658   1.148   4.536
   37    HA   TRP   6           HA       TRP   6   3.368  -1.184   3.973
   38   1HB   TRP   6          2HB       TRP   6   4.531   0.133   5.774
   39   2HB   TRP   6          1HB       TRP   6   3.108  -0.075   6.795
   40    HD1  TRP   6           HD       TRP   6   3.345  -1.991   8.418
   41    HE1  TRP   6           1HE      TRP   6   4.559  -4.265   8.448
   42    HE3  TRP   6           3HE      TRP   6   5.483  -1.909   3.781
   43    HZ2  TRP   6           2HZ      TRP   6   6.217  -5.840   6.732
   44    HZ3  TRP   6           3HZ      TRP   6   6.874  -3.808   3.005
   45    HH2  TRP   6           HH       TRP   6   7.242  -5.773   4.472
   46    H    TRP   7           H        TRP   7   0.593  -0.712   3.481
   47    HA   TRP   7           HA       TRP   7  -0.799  -2.302   5.590
   48   1HB   TRP   7          2HB       TRP   7  -1.596  -0.429   3.370
   49   2HB   TRP   7          1HB       TRP   7  -2.787  -1.543   4.044
   50    HD1  TRP   7           HD       TRP   7  -0.586  -0.898   6.794
   51    HE1  TRP   7           1HE      TRP   7  -1.459   0.978   8.331
   52    HE3  TRP   7           3HE      TRP   7  -4.109   1.185   3.735
   53    HZ2  TRP   7           2HZ      TRP   7  -3.389   3.088   8.268
   54    HZ3  TRP   7           3HZ      TRP   7  -5.444   3.127   4.497
   55    HH2  TRP   7           HH       TRP   7  -5.088   4.081   6.757
   56    H    LYS   8           H        LYS   8  -2.167  -4.124   4.846
   57    HA   LYS   8           HA       LYS   8  -0.984  -6.142   3.461
   58   1HB   LYS   8          2HB       LYS   8  -3.534  -6.495   2.580
   59   2HB   LYS   8          1HB       LYS   8  -3.005  -6.869   4.212
   60   1HG   LYS   8          2HG       LYS   8  -3.862  -4.803   5.062
   61   2HG   LYS   8          1HG       LYS   8  -4.077  -4.148   3.437
   62   1HD   LYS   8          2HD       LYS   8  -6.177  -4.953   3.433
   63   2HD   LYS   8          1HD       LYS   8  -5.514  -6.587   3.517
   64   1HE   LYS   8          2HE       LYS   8  -6.653  -6.675   5.508
   65   2HE   LYS   8          1HE       LYS   8  -5.261  -5.765   6.130
   66   1HZ   LYS   8          1HZ       LYS   8  -7.535  -4.720   6.467
   67   2HZ   LYS   8          2HZ       LYS   8  -7.541  -4.430   4.793
   68   3HZ   LYS   8          3HZ       LYS   8  -6.341  -3.734   5.774
   69    H    CYS   9           H        CYS   9  -0.907  -6.901   1.298
   70    HA   CYS   9           HA       CYS   9  -1.807  -5.094  -0.875
   71   1HB   CYS   9          2HB       CYS   9   0.482  -4.800  -1.698
   72   2HB   CYS   9          1HB       CYS   9   0.383  -4.244  -0.026
   73    H    ASN  10           H        ASN  10  -2.242  -6.275  -2.718
   74    HA   ASN  10           HA       ASN  10  -1.155  -9.057  -2.887
   75   1HB   ASN  10          2HB       ASN  10  -3.497  -9.438  -3.972
   76   2HB   ASN  10          1HB       ASN  10  -3.400  -9.328  -2.218
   77   1HD2  ASN  10          1HD2      ASN  10  -5.774  -8.629  -2.483
   78   2HD2  ASN  10          2HD2      ASN  10  -6.082  -6.990  -2.796
   79    HA   PRO  11           HA       PRO  11   0.236  -7.415  -6.794
   80   1HB   PRO  11          2HB       PRO  11   1.021  -9.845  -7.836
   81   2HB   PRO  11          1HB       PRO  11   1.994  -8.910  -6.680
   82   1HG   PRO  11          2HG       PRO  11   0.119 -11.184  -6.159
   83   2HG   PRO  11          1HG       PRO  11   1.758 -10.916  -5.533
   84   1HD   PRO  11          2HD       PRO  11  -0.357 -10.351  -4.019
   85   2HD   PRO  11          1HD       PRO  11   1.056  -9.268  -4.029
   86    H    ASN  12           H        ASN  12  -2.331  -9.603  -6.184
   87    HA   ASN  12           HA       ASN  12  -3.165  -9.957  -8.979
   88   1HB   ASN  12          2HB       ASN  12  -3.564 -11.423  -6.830
   89   2HB   ASN  12          1HB       ASN  12  -4.896 -10.307  -6.536
   90   1HD2  ASN  12          1HD2      ASN  12  -3.602 -11.868  -9.532
   91   2HD2  ASN  12          2HD2      ASN  12  -5.106 -12.471 -10.036
   92    H    ASP  13           H        ASP  13  -3.817  -7.808  -6.281
   93    HA   ASP  13           HA       ASP  13  -5.215  -5.923  -8.083
   94   1HB   ASP  13          2HB       ASP  13  -6.551  -7.767  -6.384
   95   2HB   ASP  13          1HB       ASP  13  -6.702  -6.185  -5.620
   96    H    ASP  14           H        ASP  14  -2.692  -5.669  -6.960
   97    HA   ASP  14           HA       ASP  14  -2.274  -4.583  -4.453
   98   1HB   ASP  14          2HB       ASP  14  -0.712  -4.898  -6.477
   99   2HB   ASP  14          1HB       ASP  14  -1.252  -3.301  -6.996
  100    H    LYS  15           H        LYS  15  -2.762  -2.631  -3.414
  101    HA   LYS  15           HA       LYS  15  -4.283  -0.601  -5.006
  102   1HB   LYS  15          2HB       LYS  15  -5.783  -2.076  -3.703
  103   2HB   LYS  15          1HB       LYS  15  -4.910  -1.650  -2.229
  104   1HG   LYS  15          2HG       LYS  15  -6.328   0.091  -2.008
  105   2HG   LYS  15          1HG       LYS  15  -5.536   0.811  -3.410
  106   1HD   LYS  15          2HD       LYS  15  -7.227  -0.975  -4.613
  107   2HD   LYS  15          1HD       LYS  15  -8.176  -0.496  -3.205
  108   1HE   LYS  15          2HE       LYS  15  -8.482   1.636  -3.986
  109   2HE   LYS  15          1HE       LYS  15  -6.835   1.732  -4.642
  110   1HZ   LYS  15          1HZ       LYS  15  -9.245   0.552  -5.840
  111   2HZ   LYS  15          2HZ       LYS  15  -7.733  -0.126  -6.215
  112   3HZ   LYS  15          3HZ       LYS  15  -8.044   1.507  -6.564
  113    H    CYS  16           H        CYS  16  -1.761  -1.232  -2.725
  114    HA   CYS  16           HA       CYS  16  -1.622   0.997  -1.078
  115   1HB   CYS  16          2HB       CYS  16   0.064  -0.870  -1.316
  116   2HB   CYS  16          1HB       CYS  16   0.669  -0.071  -2.770
  117    H    CYS  17           H        CYS  17  -0.887   3.181  -1.361
  118    HA   CYS  17           HA       CYS  17  -1.757   4.678  -3.506
  119   1HB   CYS  17          2HB       CYS  17   0.815   5.091  -1.944
  120   2HB   CYS  17          1HB       CYS  17  -0.123   6.347  -2.747
  121    H    ARG  18           H        ARG  18  -0.765   5.426  -5.503
  122    HA   ARG  18           HA       ARG  18   1.355   3.564  -6.481
  123   1HB   ARG  18          2HB       ARG  18   0.412   4.328  -8.727
  124   2HB   ARG  18          1HB       ARG  18  -0.679   3.395  -7.703
  125   1HG   ARG  18          2HG       ARG  18  -0.752   6.304  -7.223
  126   2HG   ARG  18          1HG       ARG  18  -1.307   5.815  -8.825
  127   1HD   ARG  18          2HD       ARG  18  -2.305   4.526  -6.262
  128   2HD   ARG  18          1HD       ARG  18  -3.146   5.853  -7.089
  129    HE   ARG  18           HE       ARG  18  -2.921   3.094  -8.067
  130   1HH1  ARG  18          1HH1      ARG  18  -5.319   4.979  -8.261
  131   2HH1  ARG  18          2HH1      ARG  18  -5.350   5.298  -9.962
  132   1HH2  ARG  18          1HH2      ARG  18  -2.130   4.130 -10.508
  133   2HH2  ARG  18          2HH2      ARG  18  -3.543   4.820 -11.236
  134    HA   PRO  19           HA       PRO  19   2.943   8.025  -7.011
  135   1HB   PRO  19          2HB       PRO  19   4.004   8.747  -4.604
  136   2HB   PRO  19          1HB       PRO  19   2.342   9.155  -5.074
  137   1HG   PRO  19          2HG       PRO  19   3.326   7.057  -3.231
  138   2HG   PRO  19          1HG       PRO  19   1.832   8.002  -3.178
  139   1HD   PRO  19          2HD       PRO  19   2.038   5.378  -4.047
  140   2HD   PRO  19          1HD       PRO  19   0.700   6.486  -4.419
  141    H    LYS  20           H        LYS  20   4.033   5.324  -5.059
  142    HA   LYS  20           HA       LYS  20   6.349   4.755  -6.578
  143   1HB   LYS  20          2HB       LYS  20   8.033   5.686  -4.847
  144   2HB   LYS  20          1HB       LYS  20   7.272   6.844  -5.935
  145   1HG   LYS  20          2HG       LYS  20   5.694   7.514  -4.241
  146   2HG   LYS  20          1HG       LYS  20   6.204   6.203  -3.174
  147   1HD   LYS  20          2HD       LYS  20   7.611   7.721  -2.254
  148   2HD   LYS  20          1HD       LYS  20   8.582   7.509  -3.711
  149   1HE   LYS  20          2HE       LYS  20   6.463   9.325  -4.347
  150   2HE   LYS  20          1HE       LYS  20   7.235   9.878  -2.848
  151   1HZ   LYS  20          1HZ       LYS  20   8.975   8.855  -4.957
  152   2HZ   LYS  20          2HZ       LYS  20   9.245  10.109  -3.842
  153   3HZ   LYS  20          3HZ       LYS  20   8.280  10.380  -5.214
  154    H    LEU  21           H        LEU  21   4.259   3.370  -5.012
  155    HA   LEU  21           HA       LEU  21   6.018   1.885  -3.078
  156   1HB   LEU  21          2HB       LEU  21   3.037   2.423  -3.037
  157   2HB   LEU  21          1HB       LEU  21   3.883   1.423  -1.859
  158    HG   LEU  21           HG       LEU  21   5.416   3.681  -1.804
  159   1HD1  LEU  21          1HD1      LEU  21   4.081   5.044  -3.212
  160   2HD1  LEU  21          2HD1      LEU  21   3.638   5.534  -1.577
  161   3HD1  LEU  21          3HD1      LEU  21   2.580   4.460  -2.495
  162   1HD2  LEU  21          1HD2      LEU  21   4.849   3.327   0.347
  163   2HD2  LEU  21          2HD2      LEU  21   3.456   2.369  -0.153
  164   3HD2  LEU  21          3HD2      LEU  21   3.301   4.115   0.041
  165    H    LYS  22           H        LYS  22   5.221  -0.417  -2.764
  166    HA   LYS  22           HA       LYS  22   3.690  -1.646  -4.901
  167   1HB   LYS  22          2HB       LYS  22   5.756  -1.360  -6.089
  168   2HB   LYS  22          1HB       LYS  22   6.698  -1.890  -4.696
  169   1HG   LYS  22          2HG       LYS  22   6.019  -4.142  -4.944
  170   2HG   LYS  22          1HG       LYS  22   4.675  -3.710  -6.000
  171   1HD   LYS  22          2HD       LYS  22   6.357  -4.595  -7.443
  172   2HD   LYS  22          1HD       LYS  22   6.433  -2.844  -7.646
  173   1HE   LYS  22          2HE       LYS  22   8.181  -3.087  -5.611
  174   2HE   LYS  22          1HE       LYS  22   8.400  -4.679  -6.361
  175   1HZ   LYS  22          1HZ       LYS  22   8.972  -2.038  -7.434
  176   2HZ   LYS  22          2HZ       LYS  22   8.253  -3.130  -8.518
  177   3HZ   LYS  22          3HZ       LYS  22   9.721  -3.523  -7.760
  178    H    CYS  23           H        CYS  23   2.856  -3.609  -4.162
  179    HA   CYS  23           HA       CYS  23   2.759  -4.377  -1.524
  180   1HB   CYS  23          2HB       CYS  23   1.467  -5.399  -3.377
  181   2HB   CYS  23          1HB       CYS  23   2.931  -6.194  -3.953
  182    H    SER  24           H        SER  24   3.989  -5.614  -0.120
  183    HA   SER  24           HA       SER  24   6.735  -6.402  -1.025
  184   1HB   SER  24          2HB       SER  24   5.775  -4.614   1.002
  185   2HB   SER  24          1HB       SER  24   6.561  -5.974   1.796
  186    HG   SER  24           HG       SER  24   8.397  -5.218   1.137
  187    H    LYS  25           H        LYS  25   6.455  -8.626  -1.277
  188    HA   LYS  25           HA       LYS  25   4.707 -10.304   0.215
  189   1HB   LYS  25          2HB       LYS  25   6.193 -12.092  -0.719
  190   2HB   LYS  25          1HB       LYS  25   5.729 -10.896  -1.929
  191   1HG   LYS  25          2HG       LYS  25   7.850  -9.807  -1.813
  192   2HG   LYS  25          1HG       LYS  25   8.295 -10.677  -0.345
  193   1HD   LYS  25          2HD       LYS  25   9.345 -12.143  -1.711
  194   2HD   LYS  25          1HD       LYS  25   7.731 -12.716  -2.136
  195   1HE   LYS  25          2HE       LYS  25   8.026 -11.979  -4.254
  196   2HE   LYS  25          1HE       LYS  25   8.286 -10.331  -3.649
  197   1HZ   LYS  25          1HZ       LYS  25  10.332 -12.487  -3.723
  198   2HZ   LYS  25          2HZ       LYS  25  10.573 -10.913  -3.130
  199   3HZ   LYS  25          3HZ       LYS  25  10.264 -11.164  -4.781
  200    H    LEU  26           H        LEU  26   7.878  -9.014   0.960
  201    HA   LEU  26           HA       LEU  26   8.996 -10.746   2.789
  202   1HB   LEU  26          2HB       LEU  26   8.857  -7.861   2.338
  203   2HB   LEU  26          1HB       LEU  26   9.141  -8.252   4.036
  204    HG   LEU  26           HG       LEU  26  10.723  -9.930   2.243
  205   1HD1  LEU  26          1HD1      LEU  26  11.583  -7.052   2.305
  206   2HD1  LEU  26          2HD1      LEU  26  10.471  -7.600   1.050
  207   3HD1  LEU  26          3HD1      LEU  26  12.068  -8.335   1.197
  208   1HD2  LEU  26          1HD2      LEU  26  11.059  -8.257   4.699
  209   2HD2  LEU  26          2HD2      LEU  26  12.507  -8.664   3.779
  210   3HD2  LEU  26          3HD2      LEU  26  11.484  -9.947   4.425
  211    H    PHE  27           H        PHE  27   6.238  -8.556   3.416
  212    HA   PHE  27           HA       PHE  27   5.532 -10.291   5.747
  213   1HB   PHE  27          2HB       PHE  27   6.000  -7.321   5.627
  214   2HB   PHE  27          1HB       PHE  27   4.933  -8.022   6.847
  215    HD1  PHE  27           1HD      PHE  27   8.336  -7.332   5.953
  216    HD2  PHE  27           2HD      PHE  27   5.861  -9.984   8.251
  217    HE1  PHE  27           1HE      PHE  27  10.307  -8.007   7.296
  218    HE2  PHE  27           2HE      PHE  27   7.828 -10.658   9.596
  219    HZ   PHE  27           HZ       PHE  27  10.055  -9.671   9.120
  220    H    LYS  28           H        LYS  28   4.563  -9.134   2.851
  221    HA   LYS  28           HA       LYS  28   2.421  -9.238   1.836
  222   1HB   LYS  28          2HB       LYS  28   1.200  -9.396   4.588
  223   2HB   LYS  28          1HB       LYS  28   0.616 -10.098   3.080
  224   1HG   LYS  28          2HG       LYS  28   3.192 -11.186   3.496
  225   2HG   LYS  28          1HG       LYS  28   2.371 -11.263   5.055
  226   1HD   LYS  28          2HD       LYS  28   0.705 -12.672   4.266
  227   2HD   LYS  28          1HD       LYS  28   0.843 -12.080   2.610
  228   1HE   LYS  28          2HE       LYS  28   1.741 -14.367   2.745
  229   2HE   LYS  28          1HE       LYS  28   3.075 -13.237   2.444
  230   1HZ   LYS  28          1HZ       LYS  28   2.555 -14.846   4.757
  231   2HZ   LYS  28          2HZ       LYS  28   2.763 -13.207   5.157
  232   3HZ   LYS  28          3HZ       LYS  28   3.976 -14.037   4.307
  233    H    LEU  29           H        LEU  29   3.778  -6.780   3.123
  234    HA   LEU  29           HA       LEU  29   1.313  -5.049   3.225
  235   1HB   LEU  29          2HB       LEU  29   4.064  -4.682   4.463
  236   2HB   LEU  29          1HB       LEU  29   2.790  -3.477   4.514
  237    HG   LEU  29           HG       LEU  29   2.524  -4.556   6.570
  238   1HD1  LEU  29          1HD1      LEU  29   0.436  -4.579   5.107
  239   2HD1  LEU  29          2HD1      LEU  29   0.443  -5.721   6.450
  240   3HD1  LEU  29          3HD1      LEU  29   0.772  -6.285   4.812
  241   1HD2  LEU  29          1HD2      LEU  29   2.381  -7.289   6.245
  242   2HD2  LEU  29          2HD2      LEU  29   3.805  -6.411   6.803
  243   3HD2  LEU  29          3HD2      LEU  29   3.648  -6.842   5.102
  244    H    CYS  30           H        CYS  30   1.936  -2.714   2.393
  245    HA   CYS  30           HA       CYS  30   3.412  -3.128  -0.151
  246   1HB   CYS  30          2HB       CYS  30   1.990  -1.537  -1.005
  247   2HB   CYS  30          1HB       CYS  30   0.977  -2.165   0.270
  248    H    ASN  31           H        ASN  31   5.379  -2.192  -0.476
  249    HA   ASN  31           HA       ASN  31   6.265  -0.101   1.492
  250   1HB   ASN  31          2HB       ASN  31   7.199  -2.579   1.438
  251   2HB   ASN  31          1HB       ASN  31   8.152  -1.965   0.086
  252   1HD2  ASN  31          1HD2      ASN  31   8.568  -2.550   3.242
  253   2HD2  ASN  31          2HD2      ASN  31   9.553  -1.242   3.688
  254    H    PHE  32           H        PHE  32   8.809   0.121  -0.048
  255    HA   PHE  32           HA       PHE  32   8.101   2.256  -1.818
  256   1HB   PHE  32          2HB       PHE  32  10.530   0.585  -1.223
  257   2HB   PHE  32          1HB       PHE  32  10.578   1.742  -2.554
  258    HD1  PHE  32           1HD      PHE  32   9.463   4.126  -1.907
  259    HD2  PHE  32           2HD      PHE  32  11.241   1.355   0.852
  260    HE1  PHE  32           1HE      PHE  32   9.831   5.971  -0.292
  261    HE2  PHE  32           2HE      PHE  32  11.609   3.201   2.468
  262    HZ   PHE  32           HZ       PHE  32  10.904   5.507   1.896
  263    H    SER  33           H        SER  33   9.332   1.967  -4.186
  264    HA   SER  33           HA       SER  33   7.905  -0.330  -5.480
  265   1HB   SER  33          2HB       SER  33   7.032   1.794  -6.171
  266   2HB   SER  33          1HB       SER  33   8.648   2.471  -6.357
  267    HG   SER  33           HG       SER  33   7.214   0.728  -8.001
  268    H    PHE  34           H        PHE  34  10.318   1.694  -7.026
  269    HA   PHE  34           HA       PHE  34  12.215  -0.630  -7.058
  270   1HB   PHE  34          2HB       PHE  34  12.701   0.269  -9.433
  271   2HB   PHE  34          1HB       PHE  34  11.172  -0.575  -9.191
  272    HD1  PHE  34           1HD      PHE  34   9.200   0.442  -9.908
  273    HD2  PHE  34           2HD      PHE  34  12.625   2.884  -8.952
  274    HE1  PHE  34           1HE      PHE  34   7.961   2.470 -10.648
  275    HE2  PHE  34           2HE      PHE  34  11.386   4.912  -9.694
  276    HZ   PHE  34           HZ       PHE  34   9.055   4.706 -10.545
  277   1HN   NH2  35          1HN       NH2  35  14.148   0.941  -8.802
  278   2HN   NH2  35          2HN       NH2  35  14.865   2.173  -7.730
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1  -7.800   8.570  -2.428
    2   2H    GLY   1          2HT       GLY   1  -6.312   7.753  -2.503
    3   3H    GLY   1          3HT       GLY   1  -6.597   8.891  -1.275
    4   1HA   GLY   1          2HA       GLY   1  -7.883   7.498  -0.048
    5   2HA   GLY   1          1HA       GLY   1  -8.427   6.618  -1.478
    6    H    CYS   2           H        CYS   2  -7.003   5.032  -2.404
    7    HA   CYS   2           HA       CYS   2  -5.722   3.085  -2.015
    8   1HB   CYS   2          2HB       CYS   2  -3.417   3.760  -2.262
    9   2HB   CYS   2          1HB       CYS   2  -4.430   4.820  -3.217
   10    H    LEU   3           H        LEU   3  -3.374   2.791  -0.525
   11    HA   LEU   3           HA       LEU   3  -4.487   2.738   2.247
   12   1HB   LEU   3          2HB       LEU   3  -2.317   1.102   0.896
   13   2HB   LEU   3          1HB       LEU   3  -3.008   0.796   2.483
   14    HG   LEU   3           HG       LEU   3  -4.576   0.783  -0.107
   15   1HD1  LEU   3          1HD1      LEU   3  -3.553  -1.239  -0.340
   16   2HD1  LEU   3          2HD1      LEU   3  -4.691  -1.754   0.904
   17   3HD1  LEU   3          3HD1      LEU   3  -3.051  -1.286   1.349
   18   1HD2  LEU   3          1HD2      LEU   3  -6.431   0.048   1.198
   19   2HD2  LEU   3          2HD2      LEU   3  -5.750   1.401   2.098
   20   3HD2  LEU   3          3HD2      LEU   3  -5.418  -0.252   2.609
   21    H    GLU   4           H        GLU   4  -1.655   1.958   3.064
   22    HA   GLU   4           HA       GLU   4  -0.527   4.737   3.151
   23   1HB   GLU   4          2HB       GLU   4  -1.217   2.739   5.148
   24   2HB   GLU   4          1HB       GLU   4   0.473   3.225   5.290
   25   1HG   GLU   4          2HG       GLU   4  -0.181   5.584   5.375
   26   2HG   GLU   4          1HG       GLU   4  -1.874   5.142   5.156
   27    H    PHE   5           H        PHE   5   1.920   4.088   4.259
   28    HA   PHE   5           HA       PHE   5   3.390   3.130   1.932
   29   1HB   PHE   5          2HB       PHE   5   3.946   4.980   3.630
   30   2HB   PHE   5          1HB       PHE   5   4.426   3.679   4.718
   31    HD1  PHE   5           1HD      PHE   5   5.103   5.247   1.420
   32    HD2  PHE   5           2HD      PHE   5   6.484   2.495   4.413
   33    HE1  PHE   5           1HE      PHE   5   7.304   5.119   0.286
   34    HE2  PHE   5           2HE      PHE   5   8.685   2.364   3.279
   35    HZ   PHE   5           HZ       PHE   5   9.095   3.676   1.215
   36    H    TRP   6           H        TRP   6   1.835   1.433   4.382
   37    HA   TRP   6           HA       TRP   6   3.389  -1.009   3.789
   38   1HB   TRP   6          2HB       TRP   6   4.680   0.271   5.516
   39   2HB   TRP   6          1HB       TRP   6   3.280   0.187   6.582
   40    HD1  TRP   6           HD       TRP   6   3.450  -1.689   8.264
   41    HE1  TRP   6           1HE      TRP   6   4.518  -4.033   8.329
   42    HE3  TRP   6           3HE      TRP   6   5.427  -1.887   3.560
   43    HZ2  TRP   6           2HZ      TRP   6   6.013  -5.762   6.615
   44    HZ3  TRP   6           3HZ      TRP   6   6.665  -3.894   2.803
   45    HH2  TRP   6           HH       TRP   6   6.959  -5.830   4.324
   46    H    TRP   7           H        TRP   7   0.718  -0.649   3.233
   47    HA   TRP   7           HA       TRP   7  -0.740  -2.006   5.474
   48   1HB   TRP   7          2HB       TRP   7  -1.479  -0.211   3.172
   49   2HB   TRP   7          1HB       TRP   7  -2.703  -1.285   3.854
   50    HD1  TRP   7           HD       TRP   7  -0.261  -0.280   6.427
   51    HE1  TRP   7           1HE      TRP   7  -1.244   1.546   7.956
   52    HE3  TRP   7           3HE      TRP   7  -4.393   1.020   3.715
   53    HZ2  TRP   7           2HZ      TRP   7  -3.482   3.322   8.024
   54    HZ3  TRP   7           3HZ      TRP   7  -5.931   2.779   4.536
   55    HH2  TRP   7           HH       TRP   7  -5.482   3.931   6.687
   56    H    LYS   8           H        LYS   8  -2.410  -3.694   4.551
   57    HA   LYS   8           HA       LYS   8  -1.181  -5.876   3.392
   58   1HB   LYS   8          2HB       LYS   8  -3.972  -5.009   2.627
   59   2HB   LYS   8          1HB       LYS   8  -3.377  -6.648   2.842
   60   1HG   LYS   8          2HG       LYS   8  -2.823  -5.672   5.292
   61   2HG   LYS   8          1HG       LYS   8  -4.216  -4.667   4.890
   62   1HD   LYS   8          2HD       LYS   8  -5.368  -6.865   4.185
   63   2HD   LYS   8          1HD       LYS   8  -4.071  -7.677   5.062
   64   1HE   LYS   8          2HE       LYS   8  -5.018  -7.191   7.065
   65   2HE   LYS   8          1HE       LYS   8  -5.233  -5.487   6.618
   66   1HZ   LYS   8          1HZ       LYS   8  -7.284  -5.858   5.796
   67   2HZ   LYS   8          2HZ       LYS   8  -7.263  -7.204   6.834
   68   3HZ   LYS   8          3HZ       LYS   8  -6.893  -7.392   5.187
   69    H    CYS   9           H        CYS   9  -1.118  -6.707   1.181
   70    HA   CYS   9           HA       CYS   9  -1.564  -4.756  -1.006
   71   1HB   CYS   9          2HB       CYS   9   0.784  -4.879  -1.713
   72   2HB   CYS   9          1HB       CYS   9   0.686  -4.296  -0.051
   73    H    ASN  10           H        ASN  10  -1.260  -5.778  -3.148
   74    HA   ASN  10           HA       ASN  10  -1.165  -8.752  -3.155
   75   1HB   ASN  10          2HB       ASN  10  -3.535  -7.616  -2.898
   76   2HB   ASN  10          1HB       ASN  10  -3.351  -7.301  -4.625
   77   1HD2  ASN  10          1HD2      ASN  10  -5.055  -8.864  -5.167
   78   2HD2  ASN  10          2HD2      ASN  10  -4.784 -10.535  -5.035
   79    HA   PRO  11           HA       PRO  11   1.284  -7.555  -6.683
   80   1HB   PRO  11          2HB       PRO  11   1.787 -10.113  -7.551
   81   2HB   PRO  11          1HB       PRO  11   2.656  -9.354  -6.200
   82   1HG   PRO  11          2HG       PRO  11   0.350 -11.253  -6.135
   83   2HG   PRO  11          1HG       PRO  11   1.813 -11.223  -5.135
   84   1HD   PRO  11          2HD       PRO  11  -0.539 -10.279  -4.231
   85   2HD   PRO  11          1HD       PRO  11   1.011  -9.534  -3.771
   86    H    ASN  12           H        ASN  12  -1.622  -9.457  -6.644
   87    HA   ASN  12           HA       ASN  12  -1.930  -9.295  -9.599
   88   1HB   ASN  12          2HB       ASN  12  -2.391 -11.355  -8.120
   89   2HB   ASN  12          1HB       ASN  12  -3.818 -10.485  -7.554
   90   1HD2  ASN  12          1HD2      ASN  12  -2.364 -12.062 -10.371
   91   2HD2  ASN  12          2HD2      ASN  12  -3.771 -12.061 -11.320
   92    H    ASP  13           H        ASP  13  -3.129  -7.921  -6.600
   93    HA   ASP  13           HA       ASP  13  -4.705  -5.943  -8.182
   94   1HB   ASP  13          2HB       ASP  13  -5.906  -8.077  -7.038
   95   2HB   ASP  13          1HB       ASP  13  -5.890  -6.984  -5.654
   96    H    ASP  14           H        ASP  14  -2.240  -5.367  -7.130
   97    HA   ASP  14           HA       ASP  14  -1.849  -4.568  -4.516
   98   1HB   ASP  14          2HB       ASP  14  -0.595  -2.608  -5.623
   99   2HB   ASP  14          1HB       ASP  14  -0.153  -4.230  -6.158
  100    H    LYS  15           H        LYS  15  -2.606  -2.923  -3.180
  101    HA   LYS  15           HA       LYS  15  -4.700  -1.106  -4.333
  102   1HB   LYS  15          2HB       LYS  15  -5.445  -3.042  -2.853
  103   2HB   LYS  15          1HB       LYS  15  -4.588  -2.250  -1.529
  104   1HG   LYS  15          2HG       LYS  15  -6.308  -0.839  -1.207
  105   2HG   LYS  15          1HG       LYS  15  -6.230  -0.316  -2.890
  106   1HD   LYS  15          2HD       LYS  15  -8.410  -1.228  -2.641
  107   2HD   LYS  15          1HD       LYS  15  -7.482  -2.492  -3.450
  108   1HE   LYS  15          2HE       LYS  15  -6.978  -3.278  -0.965
  109   2HE   LYS  15          1HE       LYS  15  -8.482  -2.400  -0.622
  110   1HZ   LYS  15          1HZ       LYS  15  -8.588  -4.857  -1.425
  111   2HZ   LYS  15          2HZ       LYS  15  -8.341  -4.177  -2.962
  112   3HZ   LYS  15          3HZ       LYS  15  -9.692  -3.724  -2.035
  113    H    CYS  16           H        CYS  16  -1.700  -1.326  -2.724
  114    HA   CYS  16           HA       CYS  16  -1.769   0.896  -0.945
  115   1HB   CYS  16          2HB       CYS  16   0.039  -0.877  -1.281
  116   2HB   CYS  16          1HB       CYS  16   0.553   0.033  -2.703
  117    H    CYS  17           H        CYS  17  -0.995   3.096  -1.333
  118    HA   CYS  17           HA       CYS  17  -2.118   4.448  -3.535
  119   1HB   CYS  17          2HB       CYS  17   0.374   5.228  -1.985
  120   2HB   CYS  17          1HB       CYS  17  -0.780   6.317  -2.752
  121    H    ARG  18           H        ARG  18  -0.841   5.557  -5.350
  122    HA   ARG  18           HA       ARG  18   1.276   3.677  -6.327
  123   1HB   ARG  18          2HB       ARG  18  -1.162   4.406  -7.393
  124   2HB   ARG  18          1HB       ARG  18  -0.030   5.436  -8.273
  125   1HG   ARG  18          2HG       ARG  18  -0.265   3.328  -9.468
  126   2HG   ARG  18          1HG       ARG  18   1.353   3.413  -8.769
  127   1HD   ARG  18          2HD       ARG  18   0.542   2.058  -6.819
  128   2HD   ARG  18          1HD       ARG  18  -1.021   1.883  -7.642
  129    HE   ARG  18           HE       ARG  18   0.498   1.007  -9.613
  130   1HH1  ARG  18          1HH1      ARG  18  -0.272  -0.571  -6.915
  131   2HH1  ARG  18          2HH1      ARG  18   1.159  -1.538  -6.778
  132   1HH2  ARG  18          1HH2      ARG  18   2.918   0.259  -9.166
  133   2HH2  ARG  18          2HH2      ARG  18   2.966  -1.068  -8.052
  134    HA   PRO  19           HA       PRO  19   2.963   8.110  -6.326
  135   1HB   PRO  19          2HB       PRO  19   4.150   8.346  -3.876
  136   2HB   PRO  19          1HB       PRO  19   2.480   8.866  -4.180
  137   1HG   PRO  19          2HG       PRO  19   3.483   6.428  -2.826
  138   2HG   PRO  19          1HG       PRO  19   2.030   7.386  -2.505
  139   1HD   PRO  19          2HD       PRO  19   2.078   4.975  -3.866
  140   2HD   PRO  19          1HD       PRO  19   0.780   6.185  -3.963
  141    H    LYS  20           H        LYS  20   4.076   5.133  -4.839
  142    HA   LYS  20           HA       LYS  20   6.196   4.540  -6.552
  143   1HB   LYS  20          2HB       LYS  20   6.716   6.770  -4.734
  144   2HB   LYS  20          1HB       LYS  20   7.901   5.477  -4.538
  145   1HG   LYS  20          2HG       LYS  20   7.429   5.831  -7.339
  146   2HG   LYS  20          1HG       LYS  20   7.748   7.415  -6.630
  147   1HD   LYS  20          2HD       LYS  20   9.927   6.926  -6.297
  148   2HD   LYS  20          1HD       LYS  20   9.533   5.371  -5.563
  149   1HE   LYS  20          2HE       LYS  20   8.979   4.729  -8.103
  150   2HE   LYS  20          1HE       LYS  20  10.171   6.006  -8.413
  151   1HZ   LYS  20          1HZ       LYS  20  10.539   3.413  -7.185
  152   2HZ   LYS  20          2HZ       LYS  20  11.267   4.692  -6.335
  153   3HZ   LYS  20          3HZ       LYS  20  11.667   4.412  -7.961
  154    H    LEU  21           H        LEU  21   4.305   3.152  -4.949
  155    HA   LEU  21           HA       LEU  21   6.097   1.663  -3.052
  156   1HB   LEU  21          2HB       LEU  21   3.096   2.021  -2.841
  157   2HB   LEU  21          1HB       LEU  21   4.202   1.459  -1.588
  158    HG   LEU  21           HG       LEU  21   4.366   4.219  -2.822
  159   1HD1  LEU  21          1HD1      LEU  21   2.241   4.157  -1.724
  160   2HD1  LEU  21          2HD1      LEU  21   3.351   4.916  -0.582
  161   3HD1  LEU  21          3HD1      LEU  21   2.891   3.227  -0.374
  162   1HD2  LEU  21          1HD2      LEU  21   5.657   2.797  -0.494
  163   2HD2  LEU  21          2HD2      LEU  21   5.563   4.556  -0.543
  164   3HD2  LEU  21          3HD2      LEU  21   6.431   3.686  -1.807
  165    H    LYS  22           H        LYS  22   5.348  -0.644  -2.749
  166    HA   LYS  22           HA       LYS  22   3.607  -1.800  -4.766
  167   1HB   LYS  22          2HB       LYS  22   5.686  -1.404  -6.019
  168   2HB   LYS  22          1HB       LYS  22   6.602  -2.267  -4.782
  169   1HG   LYS  22          2HG       LYS  22   6.295  -3.994  -6.280
  170   2HG   LYS  22          1HG       LYS  22   4.821  -4.180  -5.331
  171   1HD   LYS  22          2HD       LYS  22   4.424  -2.200  -7.399
  172   2HD   LYS  22          1HD       LYS  22   5.003  -3.711  -8.105
  173   1HE   LYS  22          2HE       LYS  22   2.708  -3.576  -6.120
  174   2HE   LYS  22          1HE       LYS  22   2.487  -3.611  -7.880
  175   1HZ   LYS  22          1HZ       LYS  22   2.464  -5.855  -7.169
  176   2HZ   LYS  22          2HZ       LYS  22   3.827  -5.639  -6.179
  177   3HZ   LYS  22          3HZ       LYS  22   3.989  -5.604  -7.870
  178    H    CYS  23           H        CYS  23   2.770  -3.718  -3.982
  179    HA   CYS  23           HA       CYS  23   2.785  -4.601  -1.414
  180   1HB   CYS  23          2HB       CYS  23   1.510  -5.589  -3.303
  181   2HB   CYS  23          1HB       CYS  23   2.983  -6.371  -3.875
  182    H    SER  24           H        SER  24   4.022  -5.994  -0.092
  183    HA   SER  24           HA       SER  24   6.741  -6.759  -1.086
  184   1HB   SER  24          2HB       SER  24   5.920  -4.825   0.953
  185   2HB   SER  24          1HB       SER  24   7.034  -6.033   1.591
  186    HG   SER  24           HG       SER  24   7.484  -4.712  -0.869
  187    H    LYS  25           H        LYS  25   7.068  -8.898  -0.694
  188    HA   LYS  25           HA       LYS  25   5.219 -10.561   0.729
  189   1HB   LYS  25          2HB       LYS  25   7.584 -10.748  -0.894
  190   2HB   LYS  25          1HB       LYS  25   7.770 -11.804   0.507
  191   1HG   LYS  25          2HG       LYS  25   5.082 -12.019  -0.515
  192   2HG   LYS  25          1HG       LYS  25   6.237 -12.299  -1.819
  193   1HD   LYS  25          2HD       LYS  25   6.383 -14.407  -1.004
  194   2HD   LYS  25          1HD       LYS  25   7.358 -13.696   0.282
  195   1HE   LYS  25          2HE       LYS  25   4.974 -13.184   1.353
  196   2HE   LYS  25          1HE       LYS  25   4.492 -14.563   0.345
  197   1HZ   LYS  25          1HZ       LYS  25   6.442 -14.459   2.537
  198   2HZ   LYS  25          2HZ       LYS  25   6.721 -15.542   1.258
  199   3HZ   LYS  25          3HZ       LYS  25   5.295 -15.654   2.175
  200    H    LEU  26           H        LEU  26   7.803  -8.580   1.873
  201    HA   LEU  26           HA       LEU  26   8.977  -9.870   4.009
  202   1HB   LEU  26          2HB       LEU  26   7.957  -7.130   3.453
  203   2HB   LEU  26          1HB       LEU  26   8.390  -7.471   5.125
  204    HG   LEU  26           HG       LEU  26  10.270  -6.560   3.667
  205   1HD1  LEU  26          1HD1      LEU  26  10.294  -8.289   5.771
  206   2HD1  LEU  26          2HD1      LEU  26  11.753  -7.634   5.029
  207   3HD1  LEU  26          3HD1      LEU  26  11.171  -9.234   4.567
  208   1HD2  LEU  26          1HD2      LEU  26   9.666  -7.925   1.659
  209   2HD2  LEU  26          2HD2      LEU  26  10.149  -9.376   2.536
  210   3HD2  LEU  26          3HD2      LEU  26  11.347  -8.142   2.143
  211    H    PHE  27           H        PHE  27   5.799  -8.224   4.205
  212    HA   PHE  27           HA       PHE  27   4.923 -10.279   6.195
  213   1HB   PHE  27          2HB       PHE  27   4.956  -7.272   6.443
  214   2HB   PHE  27          1HB       PHE  27   3.830  -8.256   7.378
  215    HD1  PHE  27           1HD      PHE  27   7.434  -7.819   6.594
  216    HD2  PHE  27           2HD      PHE  27   4.533  -9.371   9.336
  217    HE1  PHE  27           1HE      PHE  27   9.242  -8.338   8.193
  218    HE2  PHE  27           2HE      PHE  27   6.335  -9.895  10.947
  219    HZ   PHE  27           HZ       PHE  27   8.697  -9.380  10.384
  220    H    LYS  28           H        LYS  28   4.401  -8.984   3.274
  221    HA   LYS  28           HA       LYS  28   2.520  -9.238   1.836
  222   1HB   LYS  28          2HB       LYS  28   0.781  -9.446   4.300
  223   2HB   LYS  28          1HB       LYS  28   0.491 -10.109   2.694
  224   1HG   LYS  28          2HG       LYS  28   2.976 -11.159   3.673
  225   2HG   LYS  28          1HG       LYS  28   1.737 -11.393   4.908
  226   1HD   LYS  28          2HD       LYS  28   0.913 -11.990   2.119
  227   2HD   LYS  28          1HD       LYS  28   2.090 -13.095   2.829
  228   1HE   LYS  28          2HE       LYS  28   0.159 -12.623   4.848
  229   2HE   LYS  28          1HE       LYS  28  -0.743 -12.933   3.350
  230   1HZ   LYS  28          1HZ       LYS  28   0.198 -14.979   3.086
  231   2HZ   LYS  28          2HZ       LYS  28   0.209 -14.906   4.783
  232   3HZ   LYS  28          3HZ       LYS  28   1.624 -14.566   3.905
  233    H    LEU  29           H        LEU  29   3.619  -6.770   3.037
  234    HA   LEU  29           HA       LEU  29   1.155  -5.036   2.929
  235   1HB   LEU  29          2HB       LEU  29   3.819  -4.562   4.325
  236   2HB   LEU  29          1HB       LEU  29   2.461  -3.446   4.319
  237    HG   LEU  29           HG       LEU  29   2.333  -4.632   6.387
  238   1HD1  LEU  29          1HD1      LEU  29   0.202  -5.860   6.152
  239   2HD1  LEU  29          2HD1      LEU  29   0.424  -5.905   4.403
  240   3HD1  LEU  29          3HD1      LEU  29   0.183  -4.362   5.223
  241   1HD2  LEU  29          1HD2      LEU  29   2.120  -7.313   5.151
  242   2HD2  LEU  29          2HD2      LEU  29   2.865  -6.835   6.673
  243   3HD2  LEU  29          3HD2      LEU  29   3.730  -6.597   5.154
  244    H    CYS  30           H        CYS  30   1.815  -2.739   2.102
  245    HA   CYS  30           HA       CYS  30   3.389  -3.148  -0.365
  246   1HB   CYS  30          2HB       CYS  30   2.104  -1.407  -1.187
  247   2HB   CYS  30          1HB       CYS  30   1.011  -2.072   0.010
  248    H    ASN  31           H        ASN  31   5.439  -2.404  -0.562
  249    HA   ASN  31           HA       ASN  31   6.465  -0.517   1.534
  250   1HB   ASN  31          2HB       ASN  31   7.260  -3.016   1.068
  251   2HB   ASN  31          1HB       ASN  31   8.212  -2.231  -0.193
  252   1HD2  ASN  31          1HD2      ASN  31  10.287  -2.324   0.788
  253   2HD2  ASN  31          2HD2      ASN  31  10.657  -1.571   2.264
  254    H    PHE  32           H        PHE  32   8.946  -0.348  -0.237
  255    HA   PHE  32           HA       PHE  32   7.857   1.692  -2.146
  256   1HB   PHE  32          2HB       PHE  32   9.203   2.656  -0.411
  257   2HB   PHE  32          1HB       PHE  32  10.449   1.432  -0.607
  258    HD1  PHE  32           1HD      PHE  32   8.875   4.423  -2.109
  259    HD2  PHE  32           2HD      PHE  32  12.086   1.580  -2.379
  260    HE1  PHE  32           1HE      PHE  32  10.013   5.865  -3.773
  261    HE2  PHE  32           2HE      PHE  32  13.223   3.023  -4.044
  262    HZ   PHE  32           HZ       PHE  32  12.187   5.166  -4.740
  263    H    SER  33           H        SER  33   9.463   2.032  -4.015
  264    HA   SER  33           HA       SER  33  10.473  -0.623  -4.993
  265   1HB   SER  33          2HB       SER  33   8.677  -0.343  -6.390
  266   2HB   SER  33          1HB       SER  33   8.603   1.393  -6.101
  267    HG   SER  33           HG       SER  33   9.336   0.550  -8.262
  268    H    PHE  34           H        PHE  34  12.696  -0.405  -4.970
  269    HA   PHE  34           HA       PHE  34  13.904   2.224  -5.685
  270   1HB   PHE  34          2HB       PHE  34  15.860   1.334  -4.606
  271   2HB   PHE  34          1HB       PHE  34  14.485   0.865  -3.606
  272    HD1  PHE  34           1HD      PHE  34  16.924  -0.317  -6.145
  273    HD2  PHE  34           2HD      PHE  34  13.835  -1.436  -3.351
  274    HE1  PHE  34           1HE      PHE  34  17.545  -2.714  -6.416
  275    HE2  PHE  34           2HE      PHE  34  14.455  -3.832  -3.625
  276    HZ   PHE  34           HZ       PHE  34  16.309  -4.471  -5.157
  277   1HN   NH2  35          1HN       NH2  35  15.465   2.478  -7.461
  278   2HN   NH2  35          2HN       NH2  35  15.619   1.230  -8.726
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1  -8.573   6.104  -3.002
    2   2H    GLY   1          2HT       GLY   1  -9.552   7.373  -2.443
    3   3H    GLY   1          3HT       GLY   1 -10.068   5.763  -2.280
    4   1HA   GLY   1          2HA       GLY   1  -7.982   7.207  -0.777
    5   2HA   GLY   1          1HA       GLY   1  -9.333   6.256  -0.158
    6    H    CYS   2           H        CYS   2  -6.226   5.982  -1.870
    7    HA   CYS   2           HA       CYS   2  -6.049   3.137  -1.911
    8   1HB   CYS   2          2HB       CYS   2  -3.587   3.654  -2.058
    9   2HB   CYS   2          1HB       CYS   2  -4.573   4.591  -3.178
   10    H    LEU   3           H        LEU   3  -3.858   2.335  -0.537
   11    HA   LEU   3           HA       LEU   3  -4.810   2.341   2.257
   12   1HB   LEU   3          2HB       LEU   3  -2.656   0.861   0.719
   13   2HB   LEU   3          1HB       LEU   3  -3.022   0.564   2.416
   14    HG   LEU   3           HG       LEU   3  -5.353   0.548   0.588
   15   1HD1  LEU   3          1HD1      LEU   3  -4.767  -1.901   0.030
   16   2HD1  LEU   3          2HD1      LEU   3  -3.110  -1.470   0.447
   17   3HD1  LEU   3          3HD1      LEU   3  -3.927  -0.649  -0.883
   18   1HD2  LEU   3          1HD2      LEU   3  -5.978  -0.150   2.689
   19   2HD2  LEU   3          2HD2      LEU   3  -4.377  -0.786   3.067
   20   3HD2  LEU   3          3HD2      LEU   3  -5.476  -1.715   2.050
   21    H    GLU   4           H        GLU   4  -1.411   1.918   1.847
   22    HA   GLU   4           HA       GLU   4  -0.663   4.704   2.358
   23   1HB   GLU   4          2HB       GLU   4  -1.657   3.273   4.475
   24   2HB   GLU   4          1HB       GLU   4   0.075   2.961   4.620
   25   1HG   GLU   4          2HG       GLU   4   0.291   5.550   4.230
   26   2HG   GLU   4          1HG       GLU   4  -1.393   5.579   4.756
   27    H    PHE   5           H        PHE   5   1.734   4.216   3.677
   28    HA   PHE   5           HA       PHE   5   3.358   3.179   1.490
   29   1HB   PHE   5          2HB       PHE   5   4.475   4.909   2.461
   30   2HB   PHE   5          1HB       PHE   5   3.606   4.727   3.980
   31    HD1  PHE   5           1HD      PHE   5   4.309   2.802   5.544
   32    HD2  PHE   5           2HD      PHE   5   6.707   4.168   2.252
   33    HE1  PHE   5           1HE      PHE   5   6.308   1.748   6.564
   34    HE2  PHE   5           2HE      PHE   5   8.706   3.112   3.272
   35    HZ   PHE   5           HZ       PHE   5   8.507   1.903   5.428
   36    H    TRP   6           H        TRP   6   1.804   1.629   4.088
   37    HA   TRP   6           HA       TRP   6   3.402  -0.813   3.639
   38   1HB   TRP   6          2HB       TRP   6   4.704   0.588   5.240
   39   2HB   TRP   6          1HB       TRP   6   3.316   0.617   6.324
   40    HD1  TRP   6           HD       TRP   6   3.582  -1.038   8.214
   41    HE1  TRP   6           1HE      TRP   6   4.644  -3.369   8.505
   42    HE3  TRP   6           3HE      TRP   6   5.320  -1.809   3.480
   43    HZ2  TRP   6           2HZ      TRP   6   6.050  -5.304   6.934
   44    HZ3  TRP   6           3HZ      TRP   6   6.516  -3.901   2.900
   45    HH2  TRP   6           HH       TRP   6   6.882  -5.650   4.621
   46    H    TRP   7           H        TRP   7   0.759  -0.662   3.071
   47    HA   TRP   7           HA       TRP   7  -0.635  -1.877   5.436
   48   1HB   TRP   7          2HB       TRP   7  -1.435  -0.123   3.139
   49   2HB   TRP   7          1HB       TRP   7  -2.644  -1.213   3.819
   50    HD1  TRP   7           HD       TRP   7  -0.232  -0.220   6.414
   51    HE1  TRP   7           1HE      TRP   7  -1.230   1.600   7.944
   52    HE3  TRP   7           3HE      TRP   7  -4.313   1.111   3.653
   53    HZ2  TRP   7           2HZ      TRP   7  -3.465   3.383   7.990
   54    HZ3  TRP   7           3HZ      TRP   7  -5.858   2.870   4.461
   55    HH2  TRP   7           HH       TRP   7  -5.439   4.007   6.624
   56    H    LYS   8           H        LYS   8  -2.318  -3.588   4.677
   57    HA   LYS   8           HA       LYS   8  -1.183  -5.812   3.525
   58   1HB   LYS   8          2HB       LYS   8  -3.668  -6.137   2.609
   59   2HB   LYS   8          1HB       LYS   8  -3.304  -6.213   4.323
   60   1HG   LYS   8          2HG       LYS   8  -3.804  -3.481   3.361
   61   2HG   LYS   8          1HG       LYS   8  -5.187  -4.558   3.160
   62   1HD   LYS   8          2HD       LYS   8  -3.899  -4.928   5.749
   63   2HD   LYS   8          1HD       LYS   8  -4.446  -3.266   5.519
   64   1HE   LYS   8          2HE       LYS   8  -6.406  -5.263   4.601
   65   2HE   LYS   8          1HE       LYS   8  -6.074  -5.335   6.343
   66   1HZ   LYS   8          1HZ       LYS   8  -6.367  -2.713   5.056
   67   2HZ   LYS   8          2HZ       LYS   8  -6.700  -3.171   6.658
   68   3HZ   LYS   8          3HZ       LYS   8  -7.767  -3.601   5.409
   69    H    CYS   9           H        CYS   9  -1.206  -6.738   1.393
   70    HA   CYS   9           HA       CYS   9  -1.901  -5.032  -0.909
   71   1HB   CYS   9          2HB       CYS   9   0.406  -4.832  -1.690
   72   2HB   CYS   9          1HB       CYS   9   0.295  -4.189  -0.050
   73    H    ASN  10           H        ASN  10  -0.833  -6.208  -2.971
   74    HA   ASN  10           HA       ASN  10  -0.599  -9.125  -2.706
   75   1HB   ASN  10          2HB       ASN  10  -3.118  -8.041  -2.798
   76   2HB   ASN  10          1HB       ASN  10  -2.801  -8.327  -4.511
   77   1HD2  ASN  10          1HD2      ASN  10  -3.002 -10.465  -5.250
   78   2HD2  ASN  10          2HD2      ASN  10  -3.190 -11.815  -4.237
   79    HA   PRO  11           HA       PRO  11   1.858  -7.944  -6.252
   80   1HB   PRO  11          2HB       PRO  11   2.760 -10.475  -6.815
   81   2HB   PRO  11          1HB       PRO  11   3.430  -9.470  -5.514
   82   1HG   PRO  11          2HG       PRO  11   1.413 -11.666  -5.356
   83   2HG   PRO  11          1HG       PRO  11   2.791 -11.325  -4.296
   84   1HD   PRO  11          2HD       PRO  11   0.275 -10.647  -3.615
   85   2HD   PRO  11          1HD       PRO  11   1.676  -9.654  -3.152
   86    H    ASN  12           H        ASN  12  -0.835  -7.992  -6.814
   87    HA   ASN  12           HA       ASN  12  -0.914  -9.125  -9.512
   88   1HB   ASN  12          2HB       ASN  12  -1.511 -11.014  -7.947
   89   2HB   ASN  12          1HB       ASN  12  -2.878 -10.051  -7.386
   90   1HD2  ASN  12          1HD2      ASN  12  -1.613 -11.889 -10.133
   91   2HD2  ASN  12          2HD2      ASN  12  -3.058 -11.890 -11.025
   92    H    ASP  13           H        ASP  13  -2.711  -7.699  -6.809
   93    HA   ASP  13           HA       ASP  13  -3.748  -5.576  -8.605
   94   1HB   ASP  13          2HB       ASP  13  -5.218  -7.867  -7.855
   95   2HB   ASP  13          1HB       ASP  13  -5.826  -6.565  -6.830
   96    H    ASP  14           H        ASP  14  -1.762  -5.298  -6.721
   97    HA   ASP  14           HA       ASP  14  -2.462  -4.734  -4.047
   98   1HB   ASP  14          2HB       ASP  14  -0.406  -3.397  -4.093
   99   2HB   ASP  14          1HB       ASP  14  -0.184  -4.855  -5.061
  100    H    LYS  15           H        LYS  15  -3.353  -2.933  -3.031
  101    HA   LYS  15           HA       LYS  15  -4.528  -0.844  -4.822
  102   1HB   LYS  15          2HB       LYS  15  -6.119  -2.149  -3.525
  103   2HB   LYS  15          1HB       LYS  15  -5.205  -1.860  -2.044
  104   1HG   LYS  15          2HG       LYS  15  -5.701   0.512  -2.130
  105   2HG   LYS  15          1HG       LYS  15  -6.467   0.335  -3.709
  106   1HD   LYS  15          2HD       LYS  15  -7.423  -0.928  -1.122
  107   2HD   LYS  15          1HD       LYS  15  -8.176   0.437  -1.948
  108   1HE   LYS  15          2HE       LYS  15  -7.974  -1.486  -3.953
  109   2HE   LYS  15          1HE       LYS  15  -8.434  -2.419  -2.516
  110   1HZ   LYS  15          1HZ       LYS  15 -10.314  -1.157  -2.178
  111   2HZ   LYS  15          2HZ       LYS  15 -10.263  -1.209  -3.875
  112   3HZ   LYS  15          3HZ       LYS  15  -9.723   0.174  -3.049
  113    H    CYS  16           H        CYS  16  -1.930  -1.320  -2.752
  114    HA   CYS  16           HA       CYS  16  -1.709   0.818  -1.011
  115   1HB   CYS  16          2HB       CYS  16   0.008  -0.944  -1.533
  116   2HB   CYS  16          1HB       CYS  16   0.395  -0.074  -3.018
  117    H    CYS  17           H        CYS  17  -1.129   3.048  -1.226
  118    HA   CYS  17           HA       CYS  17  -2.239   4.561  -3.304
  119   1HB   CYS  17          2HB       CYS  17   0.183   5.130  -1.559
  120   2HB   CYS  17          1HB       CYS  17  -0.774   6.350  -2.397
  121    H    ARG  18           H        ARG  18  -0.596   6.119  -4.681
  122    HA   ARG  18           HA       ARG  18   1.138   4.203  -6.188
  123   1HB   ARG  18          2HB       ARG  18  -0.931   6.000  -6.892
  124   2HB   ARG  18          1HB       ARG  18   0.562   6.636  -7.588
  125   1HG   ARG  18          2HG       ARG  18  -0.535   5.026  -9.111
  126   2HG   ARG  18          1HG       ARG  18   1.051   4.458  -8.587
  127   1HD   ARG  18          2HD       ARG  18   0.062   2.564  -7.820
  128   2HD   ARG  18          1HD       ARG  18  -0.819   3.554  -6.640
  129    HE   ARG  18           HE       ARG  18  -1.894   3.461  -9.404
  130   1HH1  ARG  18          1HH2      ARG  18  -2.461   0.832  -8.266
  131   2HH1  ARG  18          2HH2      ARG  18  -3.925   1.081  -7.376
  132   1HH2  ARG  18          1HH1      ARG  18  -3.613   4.533  -7.311
  133   2HH2  ARG  18          2HH1      ARG  18  -4.577   3.175  -6.834
  134    HA   PRO  19           HA       PRO  19   3.747   7.958  -4.946
  135   1HB   PRO  19          2HB       PRO  19   4.598   7.494  -2.385
  136   2HB   PRO  19          1HB       PRO  19   3.154   8.459  -2.749
  137   1HG   PRO  19          2HG       PRO  19   3.371   5.665  -1.797
  138   2HG   PRO  19          1HG       PRO  19   2.143   6.887  -1.443
  139   1HD   PRO  19          2HD       PRO  19   1.834   4.800  -3.232
  140   2HD   PRO  19          1HD       PRO  19   0.880   6.298  -3.226
  141    H    LYS  20           H        LYS  20   4.339   5.723  -6.370
  142    HA   LYS  20           HA       LYS  20   6.125   4.309  -6.983
  143   1HB   LYS  20          2HB       LYS  20   7.264   6.328  -5.081
  144   2HB   LYS  20          1HB       LYS  20   8.276   4.961  -5.545
  145   1HG   LYS  20          2HG       LYS  20   8.390   5.615  -7.757
  146   2HG   LYS  20          1HG       LYS  20   6.819   6.417  -7.710
  147   1HD   LYS  20          2HD       LYS  20   7.690   8.379  -6.890
  148   2HD   LYS  20          1HD       LYS  20   8.956   7.557  -5.979
  149   1HE   LYS  20          2HE       LYS  20  10.396   8.126  -7.637
  150   2HE   LYS  20          1HE       LYS  20   9.505   7.021  -8.702
  151   1HZ   LYS  20          1HZ       LYS  20   8.631   9.798  -8.117
  152   2HZ   LYS  20          2HZ       LYS  20   7.994   8.738  -9.284
  153   3HZ   LYS  20          3HZ       LYS  20   9.555   9.381  -9.478
  154    H    LEU  21           H        LEU  21   4.294   3.117  -5.284
  155    HA   LEU  21           HA       LEU  21   6.021   1.645  -3.326
  156   1HB   LEU  21          2HB       LEU  21   3.067   2.286  -3.284
  157   2HB   LEU  21          1HB       LEU  21   3.883   1.293  -2.085
  158    HG   LEU  21           HG       LEU  21   4.360   4.225  -2.668
  159   1HD1  LEU  21          1HD1      LEU  21   3.911   4.297  -0.150
  160   2HD1  LEU  21          2HD1      LEU  21   3.370   2.624  -0.296
  161   3HD1  LEU  21          3HD1      LEU  21   2.524   3.903  -1.167
  162   1HD2  LEU  21          1HD2      LEU  21   6.061   2.150  -1.348
  163   2HD2  LEU  21          2HD2      LEU  21   5.981   3.740  -0.588
  164   3HD2  LEU  21          3HD2      LEU  21   6.544   3.585  -2.253
  165    H    LYS  22           H        LYS  22   5.202  -0.621  -2.932
  166    HA   LYS  22           HA       LYS  22   3.563  -1.880  -4.967
  167   1HB   LYS  22          2HB       LYS  22   5.989  -1.395  -5.850
  168   2HB   LYS  22          1HB       LYS  22   6.430  -2.778  -4.847
  169   1HG   LYS  22          2HG       LYS  22   4.766  -4.170  -6.020
  170   2HG   LYS  22          1HG       LYS  22   4.312  -2.788  -7.018
  171   1HD   LYS  22          2HD       LYS  22   5.924  -3.420  -8.461
  172   2HD   LYS  22          1HD       LYS  22   7.099  -2.929  -7.241
  173   1HE   LYS  22          2HE       LYS  22   7.690  -5.180  -7.657
  174   2HE   LYS  22          1HE       LYS  22   6.643  -5.319  -6.230
  175   1HZ   LYS  22          1HZ       LYS  22   4.750  -5.664  -7.686
  176   2HZ   LYS  22          2HZ       LYS  22   5.939  -6.838  -7.990
  177   3HZ   LYS  22          3HZ       LYS  22   5.741  -5.528  -9.055
  178    H    CYS  23           H        CYS  23   2.722  -3.813  -4.142
  179    HA   CYS  23           HA       CYS  23   2.715  -4.526  -1.491
  180   1HB   CYS  23          2HB       CYS  23   1.394  -5.578  -3.341
  181   2HB   CYS  23          1HB       CYS  23   2.840  -6.452  -3.839
  182    H    SER  24           H        SER  24   3.953  -5.916  -0.141
  183    HA   SER  24           HA       SER  24   6.643  -6.722  -1.173
  184   1HB   SER  24          2HB       SER  24   5.844  -4.807   0.919
  185   2HB   SER  24          1HB       SER  24   7.068  -5.961   1.441
  186    HG   SER  24           HG       SER  24   8.388  -4.708   0.393
  187    H    LYS  25           H        LYS  25   6.840  -8.880  -0.856
  188    HA   LYS  25           HA       LYS  25   5.088 -10.489   0.733
  189   1HB   LYS  25          2HB       LYS  25   7.445 -10.725  -0.967
  190   2HB   LYS  25          1HB       LYS  25   7.518 -11.852   0.388
  191   1HG   LYS  25          2HG       LYS  25   5.507 -12.915  -0.227
  192   2HG   LYS  25          1HG       LYS  25   5.001 -11.566  -1.247
  193   1HD   LYS  25          2HD       LYS  25   6.709 -12.077  -2.882
  194   2HD   LYS  25          1HD       LYS  25   7.421 -13.295  -1.825
  195   1HE   LYS  25          2HE       LYS  25   6.116 -14.620  -3.262
  196   2HE   LYS  25          1HE       LYS  25   4.988 -14.349  -1.919
  197   1HZ   LYS  25          1HZ       LYS  25   3.997 -13.792  -4.084
  198   2HZ   LYS  25          2HZ       LYS  25   5.206 -12.624  -4.329
  199   3HZ   LYS  25          3HZ       LYS  25   4.091 -12.443  -3.060
  200    H    LEU  26           H        LEU  26   7.912  -8.632   1.538
  201    HA   LEU  26           HA       LEU  26   9.120  -9.876   3.680
  202   1HB   LEU  26          2HB       LEU  26   8.274  -7.059   3.077
  203   2HB   LEU  26          1HB       LEU  26   9.022  -7.404   4.637
  204    HG   LEU  26           HG       LEU  26  10.324  -8.502   2.179
  205   1HD1  LEU  26          1HD1      LEU  26  10.515  -5.617   3.099
  206   2HD1  LEU  26          2HD1      LEU  26   9.877  -6.179   1.553
  207   3HD1  LEU  26          3HD1      LEU  26  11.591  -6.373   1.923
  208   1HD2  LEU  26          1HD2      LEU  26  12.090  -8.755   3.592
  209   2HD2  LEU  26          2HD2      LEU  26  10.898  -8.514   4.869
  210   3HD2  LEU  26          3HD2      LEU  26  11.869  -7.155   4.300
  211    H    PHE  27           H        PHE  27   5.960  -8.230   3.718
  212    HA   PHE  27           HA       PHE  27   5.209  -9.806   6.116
  213   1HB   PHE  27          2HB       PHE  27   5.493  -6.813   5.938
  214   2HB   PHE  27          1HB       PHE  27   4.416  -7.566   7.119
  215    HD1  PHE  27           1HD      PHE  27   7.755  -6.538   6.474
  216    HD2  PHE  27           2HD      PHE  27   5.450  -9.525   8.524
  217    HE1  PHE  27           1HE      PHE  27   9.698  -7.040   7.927
  218    HE2  PHE  27           2HE      PHE  27   7.390 -10.027   9.980
  219    HZ   PHE  27           HZ       PHE  27   9.518  -8.783   9.683
  220    H    LYS  28           H        LYS  28   4.426  -9.102   3.123
  221    HA   LYS  28           HA       LYS  28   2.365  -9.292   1.965
  222   1HB   LYS  28          2HB       LYS  28   0.964  -9.219   4.636
  223   2HB   LYS  28          1HB       LYS  28   0.518 -10.108   3.183
  224   1HG   LYS  28          2HG       LYS  28   3.126 -10.982   4.011
  225   2HG   LYS  28          1HG       LYS  28   2.046 -11.041   5.402
  226   1HD   LYS  28          2HD       LYS  28   0.935 -12.050   2.838
  227   2HD   LYS  28          1HD       LYS  28   2.203 -13.030   3.573
  228   1HE   LYS  28          2HE       LYS  28   0.820 -13.738   5.233
  229   2HE   LYS  28          1HE       LYS  28   0.208 -12.097   5.522
  230   1HZ   LYS  28          1HZ       LYS  28  -0.515 -13.689   3.127
  231   2HZ   LYS  28          2HZ       LYS  28  -1.238 -12.254   3.681
  232   3HZ   LYS  28          3HZ       LYS  28  -1.445 -13.703   4.546
  233    H    LEU  29           H        LEU  29   3.623  -6.737   3.071
  234    HA   LEU  29           HA       LEU  29   1.160  -5.018   2.894
  235   1HB   LEU  29          2HB       LEU  29   3.758  -4.296   4.269
  236   2HB   LEU  29          1HB       LEU  29   2.175  -3.551   4.476
  237    HG   LEU  29           HG       LEU  29   2.873  -6.396   5.259
  238   1HD1  LEU  29          1HD1      LEU  29   3.827  -5.267   7.007
  239   2HD1  LEU  29          2HD1      LEU  29   2.154  -5.140   7.549
  240   3HD1  LEU  29          3HD1      LEU  29   2.907  -3.797   6.690
  241   1HD2  LEU  29          1HD2      LEU  29   0.503  -5.983   4.531
  242   2HD2  LEU  29          2HD2      LEU  29   0.374  -4.766   5.800
  243   3HD2  LEU  29          3HD2      LEU  29   0.645  -6.456   6.224
  244    H    CYS  30           H        CYS  30   1.762  -2.762   1.997
  245    HA   CYS  30           HA       CYS  30   3.425  -3.204  -0.403
  246   1HB   CYS  30          2HB       CYS  30   2.082  -1.579  -1.328
  247   2HB   CYS  30          1HB       CYS  30   0.999  -2.205  -0.100
  248    H    ASN  31           H        ASN  31   5.384  -2.276  -0.735
  249    HA   ASN  31           HA       ASN  31   6.209   0.119   0.792
  250   1HB   ASN  31          2HB       ASN  31   6.770  -1.552   2.380
  251   2HB   ASN  31          1HB       ASN  31   7.343  -2.651   1.133
  252   1HD2  ASN  31          1HD2      ASN  31   8.290  -0.103   3.286
  253   2HD2  ASN  31          2HD2      ASN  31   9.891   0.042   2.741
  254    H    PHE  32           H        PHE  32   8.520   0.674   0.161
  255    HA   PHE  32           HA       PHE  32   9.977  -0.318  -1.995
  256   1HB   PHE  32          2HB       PHE  32   7.418   0.699  -2.759
  257   2HB   PHE  32          1HB       PHE  32   8.658   1.735  -3.457
  258    HD1  PHE  32           1HD      PHE  32   9.065  -1.866  -2.655
  259    HD2  PHE  32           2HD      PHE  32   8.486   1.050  -5.754
  260    HE1  PHE  32           1HE      PHE  32   9.541  -3.594  -4.370
  261    HE2  PHE  32           2HE      PHE  32   8.963  -0.677  -7.469
  262    HZ   PHE  32           HZ       PHE  32   9.488  -3.000  -6.776
  263    H    SER  33           H        SER  33   8.622   2.961  -1.891
  264    HA   SER  33           HA       SER  33   9.777   5.034  -1.723
  265   1HB   SER  33          2HB       SER  33   9.317   4.296   0.586
  266   2HB   SER  33          1HB       SER  33  10.836   3.406   0.611
  267    HG   SER  33           HG       SER  33  11.687   5.637  -0.043
  268    H    PHE  34           H        PHE  34  11.170   2.979  -3.397
  269    HA   PHE  34           HA       PHE  34  13.894   4.173  -3.229
  270   1HB   PHE  34          2HB       PHE  34  13.277   1.699  -2.158
  271   2HB   PHE  34          1HB       PHE  34  13.874   1.282  -3.765
  272    HD1  PHE  34           1HD      PHE  34  14.729   2.646  -0.475
  273    HD2  PHE  34           2HD      PHE  34  16.146   1.974  -4.493
  274    HE1  PHE  34           1HE      PHE  34  17.066   3.056   0.281
  275    HE2  PHE  34           2HE      PHE  34  18.481   2.388  -3.738
  276    HZ   PHE  34           HZ       PHE  34  18.941   2.927  -1.352
  277   1HN   NH2  35          1HN       NH2  35  13.025   5.365  -5.236
  278   2HN   NH2  35          2HN       NH2  35  13.016   4.480  -6.784
  Start of MODEL   11
    1   1H    GLY   1          1HT       GLY   1  -6.388   7.334  -1.558
    2   2H    GLY   1          2HT       GLY   1  -7.267   7.702  -0.151
    3   3H    GLY   1          3HT       GLY   1  -7.811   8.250  -1.664
    4   1HA   GLY   1          2HA       GLY   1  -8.951   6.218  -0.623
    5   2HA   GLY   1          1HA       GLY   1  -8.525   6.174  -2.335
    6    H    CYS   2           H        CYS   2  -5.845   5.667  -2.331
    7    HA   CYS   2           HA       CYS   2  -5.639   2.890  -1.911
    8   1HB   CYS   2          2HB       CYS   2  -3.156   3.418  -2.023
    9   2HB   CYS   2          1HB       CYS   2  -4.120   4.060  -3.346
   10    H    LEU   3           H        LEU   3  -3.428   2.320  -0.414
   11    HA   LEU   3           HA       LEU   3  -4.422   2.776   2.353
   12   1HB   LEU   3          2HB       LEU   3  -2.565   0.786   1.024
   13   2HB   LEU   3          1HB       LEU   3  -2.890   0.797   2.753
   14    HG   LEU   3           HG       LEU   3  -5.417   0.837   1.919
   15   1HD1  LEU   3          1HD1      LEU   3  -5.464  -0.803  -0.091
   16   2HD1  LEU   3          2HD1      LEU   3  -3.811  -0.264  -0.385
   17   3HD1  LEU   3          3HD1      LEU   3  -5.138   0.897  -0.423
   18   1HD2  LEU   3          1HD2      LEU   3  -4.839  -0.936   3.314
   19   2HD2  LEU   3          2HD2      LEU   3  -3.495  -1.438   2.287
   20   3HD2  LEU   3          3HD2      LEU   3  -5.153  -1.790   1.804
   21    H    GLU   4           H        GLU   4  -1.948   2.118   3.635
   22    HA   GLU   4           HA       GLU   4  -0.584   4.736   3.450
   23   1HB   GLU   4          2HB       GLU   4  -1.379   3.092   5.486
   24   2HB   GLU   4          1HB       GLU   4   0.328   2.671   5.353
   25   1HG   GLU   4          2HG       GLU   4   0.145   4.513   6.909
   26   2HG   GLU   4          1HG       GLU   4   0.864   5.132   5.422
   27    H    PHE   5           H        PHE   5   1.940   4.032   4.328
   28    HA   PHE   5           HA       PHE   5   3.177   3.069   1.846
   29   1HB   PHE   5          2HB       PHE   5   4.172   4.951   2.882
   30   2HB   PHE   5          1HB       PHE   5   4.076   4.223   4.485
   31    HD1  PHE   5           1HD      PHE   5   5.537   3.399   1.120
   32    HD2  PHE   5           2HD      PHE   5   6.058   3.417   5.384
   33    HE1  PHE   5           1HE      PHE   5   7.823   2.480   0.844
   34    HE2  PHE   5           2HE      PHE   5   8.346   2.497   5.108
   35    HZ   PHE   5           HZ       PHE   5   9.227   2.028   2.837
   36    H    TRP   6           H        TRP   6   1.886   1.422   4.413
   37    HA   TRP   6           HA       TRP   6   3.520  -0.966   3.865
   38   1HB   TRP   6          2HB       TRP   6   4.809   0.432   5.500
   39   2HB   TRP   6          1HB       TRP   6   3.440   0.350   6.607
   40    HD1  TRP   6           HD       TRP   6   3.450  -1.591   8.246
   41    HE1  TRP   6           1HE      TRP   6   4.711  -3.834   8.433
   42    HE3  TRP   6           3HE      TRP   6   5.945  -1.555   3.805
   43    HZ2  TRP   6           2HZ      TRP   6   6.544  -5.405   6.894
   44    HZ3  TRP   6           3HZ      TRP   6   7.447  -3.432   3.184
   45    HH2  TRP   6           HH       TRP   6   7.748  -5.356   4.722
   46    H    TRP   7           H        TRP   7   0.826  -0.728   3.375
   47    HA   TRP   7           HA       TRP   7  -0.533  -2.023   5.714
   48   1HB   TRP   7          2HB       TRP   7  -1.352  -0.277   3.413
   49   2HB   TRP   7          1HB       TRP   7  -2.551  -1.360   4.120
   50    HD1  TRP   7           HD       TRP   7  -0.015  -0.217   6.580
   51    HE1  TRP   7           1HE      TRP   7  -1.023   1.575   8.137
   52    HE3  TRP   7           3HE      TRP   7  -4.345   0.787   4.071
   53    HZ2  TRP   7           2HZ      TRP   7  -3.364   3.217   8.296
   54    HZ3  TRP   7           3HZ      TRP   7  -5.946   2.465   4.948
   55    HH2  TRP   7           HH       TRP   7  -5.460   3.682   7.053
   56    H    LYS   8           H        LYS   8  -2.317  -3.663   4.836
   57    HA   LYS   8           HA       LYS   8  -1.128  -5.899   3.669
   58   1HB   LYS   8          2HB       LYS   8  -3.965  -5.054   3.061
   59   2HB   LYS   8          1HB       LYS   8  -3.352  -6.683   3.298
   60   1HG   LYS   8          2HG       LYS   8  -3.816  -4.550   5.383
   61   2HG   LYS   8          1HG       LYS   8  -4.471  -6.185   5.323
   62   1HD   LYS   8          2HD       LYS   8  -1.679  -6.517   5.288
   63   2HD   LYS   8          1HD       LYS   8  -1.981  -5.265   6.490
   64   1HE   LYS   8          2HE       LYS   8  -3.385  -7.961   6.398
   65   2HE   LYS   8          1HE       LYS   8  -2.082  -7.522   7.519
   66   1HZ   LYS   8          1HZ       LYS   8  -3.434  -5.611   8.227
   67   2HZ   LYS   8          2HZ       LYS   8  -4.199  -7.091   8.560
   68   3HZ   LYS   8          3HZ       LYS   8  -4.704  -6.148   7.239
   69    H    CYS   9           H        CYS   9  -1.212  -6.735   1.449
   70    HA   CYS   9           HA       CYS   9  -1.835  -4.813  -0.711
   71   1HB   CYS   9          2HB       CYS   9   0.440  -4.633  -1.467
   72   2HB   CYS   9          1HB       CYS   9   0.456  -4.300   0.264
   73    H    ASN  10           H        ASN  10  -1.163  -5.849  -2.897
   74    HA   ASN  10           HA       ASN  10  -0.982  -8.784  -2.919
   75   1HB   ASN  10          2HB       ASN  10  -3.471  -7.272  -3.049
   76   2HB   ASN  10          1HB       ASN  10  -3.243  -8.265  -4.487
   77   1HD2  ASN  10          1HD2      ASN  10  -2.387 -10.628  -3.864
   78   2HD2  ASN  10          2HD2      ASN  10  -3.180 -11.356  -2.551
   79    HA   PRO  11           HA       PRO  11   1.167  -7.304  -6.551
   80   1HB   PRO  11          2HB       PRO  11   1.913  -9.795  -7.448
   81   2HB   PRO  11          1HB       PRO  11   2.758  -8.932  -6.147
   82   1HG   PRO  11          2HG       PRO  11   0.682 -11.073  -5.953
   83   2HG   PRO  11          1HG       PRO  11   2.189 -10.883  -5.039
   84   1HD   PRO  11          2HD       PRO  11  -0.179 -10.190  -3.983
   85   2HD   PRO  11          1HD       PRO  11   1.298  -9.257  -3.644
   86    H    ASN  12           H        ASN  12  -1.326  -9.796  -6.487
   87    HA   ASN  12           HA       ASN  12  -1.860  -9.611  -9.379
   88   1HB   ASN  12          2HB       ASN  12  -2.101 -11.627  -7.750
   89   2HB   ASN  12          1HB       ASN  12  -3.606 -10.854  -7.251
   90   1HD2  ASN  12          1HD2      ASN  12  -1.998 -11.395 -10.449
   91   2HD2  ASN  12          2HD2      ASN  12  -3.382 -12.034 -11.195
   92    H    ASP  13           H        ASP  13  -2.833  -8.038  -6.460
   93    HA   ASP  13           HA       ASP  13  -4.775  -6.373  -7.988
   94   1HB   ASP  13          2HB       ASP  13  -5.801  -8.389  -6.708
   95   2HB   ASP  13          1HB       ASP  13  -5.405  -7.483  -5.248
   96    H    ASP  14           H        ASP  14  -2.262  -5.515  -7.349
   97    HA   ASP  14           HA       ASP  14  -1.650  -4.433  -4.855
   98   1HB   ASP  14          2HB       ASP  14  -0.095  -4.292  -6.641
   99   2HB   ASP  14          1HB       ASP  14  -1.255  -3.480  -7.694
  100    H    LYS  15           H        LYS  15  -2.469  -2.783  -3.609
  101    HA   LYS  15           HA       LYS  15  -4.481  -0.945  -4.861
  102   1HB   LYS  15          2HB       LYS  15  -5.352  -2.853  -3.387
  103   2HB   LYS  15          1HB       LYS  15  -4.569  -2.031  -2.037
  104   1HG   LYS  15          2HG       LYS  15  -6.102  -0.333  -2.005
  105   2HG   LYS  15          1HG       LYS  15  -6.270  -0.318  -3.762
  106   1HD   LYS  15          2HD       LYS  15  -7.606  -2.403  -3.640
  107   2HD   LYS  15          1HD       LYS  15  -7.469  -2.377  -1.883
  108   1HE   LYS  15          2HE       LYS  15  -8.859  -0.490  -1.675
  109   2HE   LYS  15          1HE       LYS  15  -8.579   0.015  -3.353
  110   1HZ   LYS  15          1HZ       LYS  15 -10.246  -2.190  -2.339
  111   2HZ   LYS  15          2HZ       LYS  15  -9.561  -2.303  -3.890
  112   3HZ   LYS  15          3HZ       LYS  15 -10.616  -1.025  -3.514
  113    H    CYS  16           H        CYS  16  -1.902  -1.399  -2.483
  114    HA   CYS  16           HA       CYS  16  -1.916   0.943  -1.004
  115   1HB   CYS  16          2HB       CYS  16  -0.197  -0.945  -1.044
  116   2HB   CYS  16          1HB       CYS  16   0.536  -0.137  -2.431
  117    H    CYS  17           H        CYS  17  -1.112   3.104  -1.368
  118    HA   CYS  17           HA       CYS  17  -1.822   4.422  -3.716
  119   1HB   CYS  17          2HB       CYS  17   0.562   5.028  -1.930
  120   2HB   CYS  17          1HB       CYS  17  -0.332   6.192  -2.905
  121    H    ARG  18           H        ARG  18  -0.558   5.092  -5.620
  122    HA   ARG  18           HA       ARG  18   1.708   3.212  -6.170
  123   1HB   ARG  18          2HB       ARG  18   0.981   3.694  -8.581
  124   2HB   ARG  18          1HB       ARG  18  -0.139   2.765  -7.584
  125   1HG   ARG  18          2HG       ARG  18  -0.489   5.684  -7.395
  126   2HG   ARG  18          1HG       ARG  18  -0.826   5.014  -8.991
  127   1HD   ARG  18          2HD       ARG  18  -2.248   3.244  -7.785
  128   2HD   ARG  18          1HD       ARG  18  -2.134   4.295  -6.359
  129    HE   ARG  18           HE       ARG  18  -2.867   5.778  -8.747
  130   1HH1  ARG  18          1HH1      ARG  18  -4.908   3.608  -8.686
  131   2HH1  ARG  18          2HH1      ARG  18  -6.122   4.269  -7.642
  132   1HH2  ARG  18          1HH2      ARG  18  -4.039   6.703  -6.319
  133   2HH2  ARG  18          2HH2      ARG  18  -5.631   6.021  -6.303
  134    HA   PRO  19           HA       PRO  19   2.982   7.732  -7.194
  135   1HB   PRO  19          2HB       PRO  19   3.627   8.921  -4.813
  136   2HB   PRO  19          1HB       PRO  19   2.036   9.104  -5.582
  137   1HG   PRO  19          2HG       PRO  19   2.859   7.346  -3.329
  138   2HG   PRO  19          1HG       PRO  19   1.354   8.246  -3.570
  139   1HD   PRO  19          2HD       PRO  19   1.601   5.570  -4.011
  140   2HD   PRO  19          1HD       PRO  19   0.421   6.597  -4.848
  141    H    LYS  20           H        LYS  20   3.953   5.365  -4.840
  142    HA   LYS  20           HA       LYS  20   6.559   4.991  -5.937
  143   1HB   LYS  20          2HB       LYS  20   6.950   7.227  -5.034
  144   2HB   LYS  20          1HB       LYS  20   6.340   6.726  -3.456
  145   1HG   LYS  20          2HG       LYS  20   8.236   5.540  -2.943
  146   2HG   LYS  20          1HG       LYS  20   8.549   5.113  -4.625
  147   1HD   LYS  20          2HD       LYS  20  10.152   6.712  -4.561
  148   2HD   LYS  20          1HD       LYS  20   8.819   7.863  -4.644
  149   1HE   LYS  20          2HE       LYS  20   9.060   7.013  -1.921
  150   2HE   LYS  20          1HE       LYS  20  10.667   7.499  -2.497
  151   1HZ   LYS  20          1HZ       LYS  20   8.918   9.281  -1.701
  152   2HZ   LYS  20          2HZ       LYS  20   8.368   9.123  -3.300
  153   3HZ   LYS  20          3HZ       LYS  20   9.971   9.595  -2.994
  154    H    LEU  21           H        LEU  21   4.400   3.324  -4.962
  155    HA   LEU  21           HA       LEU  21   5.878   1.824  -2.836
  156   1HB   LEU  21          2HB       LEU  21   2.890   2.291  -2.847
  157   2HB   LEU  21          1HB       LEU  21   3.863   1.612  -1.542
  158    HG   LEU  21           HG       LEU  21   5.127   3.992  -1.909
  159   1HD1  LEU  21          1HD1      LEU  21   3.853   5.492  -2.994
  160   2HD1  LEU  21          2HD1      LEU  21   2.511   5.184  -1.893
  161   3HD1  LEU  21          3HD1      LEU  21   2.693   4.213  -3.355
  162   1HD2  LEU  21          1HD2      LEU  21   2.633   3.860  -0.225
  163   2HD2  LEU  21          2HD2      LEU  21   4.188   4.596   0.162
  164   3HD2  LEU  21          3HD2      LEU  21   4.021   2.841   0.152
  165    H    LYS  22           H        LYS  22   5.070  -0.454  -2.665
  166    HA   LYS  22           HA       LYS  22   3.421  -1.519  -4.800
  167   1HB   LYS  22          2HB       LYS  22   5.736  -1.062  -5.772
  168   2HB   LYS  22          1HB       LYS  22   6.341  -2.307  -4.679
  169   1HG   LYS  22          2HG       LYS  22   4.037  -2.850  -6.550
  170   2HG   LYS  22          1HG       LYS  22   5.711  -3.047  -7.072
  171   1HD   LYS  22          2HD       LYS  22   5.782  -4.366  -4.693
  172   2HD   LYS  22          1HD       LYS  22   4.118  -4.683  -5.187
  173   1HE   LYS  22          2HE       LYS  22   5.497  -5.098  -7.542
  174   2HE   LYS  22          1HE       LYS  22   6.623  -5.728  -6.324
  175   1HZ   LYS  22          1HZ       LYS  22   3.936  -6.626  -6.999
  176   2HZ   LYS  22          2HZ       LYS  22   4.327  -6.614  -5.345
  177   3HZ   LYS  22          3HZ       LYS  22   5.265  -7.517  -6.438
  178    H    CYS  23           H        CYS  23   2.566  -3.510  -4.167
  179    HA   CYS  23           HA       CYS  23   2.559  -4.364  -1.525
  180   1HB   CYS  23          2HB       CYS  23   1.028  -5.197  -3.246
  181   2HB   CYS  23          1HB       CYS  23   2.362  -5.984  -4.087
  182    H    SER  24           H        SER  24   3.829  -5.679  -0.261
  183    HA   SER  24           HA       SER  24   6.356  -6.749  -1.462
  184   1HB   SER  24          2HB       SER  24   5.795  -4.885   0.719
  185   2HB   SER  24          1HB       SER  24   6.802  -6.232   1.245
  186    HG   SER  24           HG       SER  24   7.276  -4.264  -0.698
  187    H    LYS  25           H        LYS  25   5.870  -8.936  -1.549
  188    HA   LYS  25           HA       LYS  25   4.142 -10.373   0.186
  189   1HB   LYS  25          2HB       LYS  25   5.052 -12.285  -0.922
  190   2HB   LYS  25          1HB       LYS  25   5.152 -10.975  -2.097
  191   1HG   LYS  25          2HG       LYS  25   7.524 -10.567  -1.270
  192   2HG   LYS  25          1HG       LYS  25   7.384 -12.085  -0.383
  193   1HD   LYS  25          2HD       LYS  25   6.785 -13.215  -2.553
  194   2HD   LYS  25          1HD       LYS  25   7.157 -11.702  -3.381
  195   1HE   LYS  25          2HE       LYS  25   9.080 -13.372  -1.721
  196   2HE   LYS  25          1HE       LYS  25   9.151 -13.087  -3.471
  197   1HZ   LYS  25          1HZ       LYS  25   8.960 -10.593  -2.553
  198   2HZ   LYS  25          2HZ       LYS  25  10.443 -11.360  -2.863
  199   3HZ   LYS  25          3HZ       LYS  25   9.827 -11.302  -1.281
  200    H    LEU  26           H        LEU  26   7.489  -9.396   0.571
  201    HA   LEU  26           HA       LEU  26   8.559 -11.149   2.421
  202   1HB   LEU  26          2HB       LEU  26   8.517  -8.113   2.511
  203   2HB   LEU  26          1HB       LEU  26   9.721  -9.138   3.291
  204    HG   LEU  26           HG       LEU  26   9.342  -9.767   0.451
  205   1HD1  LEU  26          1HD1      LEU  26  10.957  -7.534   0.211
  206   2HD1  LEU  26          2HD1      LEU  26   9.683  -6.978   1.296
  207   3HD1  LEU  26          3HD1      LEU  26   9.269  -7.628  -0.291
  208   1HD2  LEU  26          1HD2      LEU  26  11.978  -9.042   0.909
  209   2HD2  LEU  26          2HD2      LEU  26  11.323 -10.669   1.088
  210   3HD2  LEU  26          3HD2      LEU  26  11.447  -9.611   2.492
  211    H    PHE  27           H        PHE  27   6.258  -8.504   3.117
  212    HA   PHE  27           HA       PHE  27   5.584  -9.896   5.692
  213   1HB   PHE  27          2HB       PHE  27   6.297  -7.092   5.019
  214   2HB   PHE  27          1HB       PHE  27   4.966  -7.306   6.157
  215    HD1  PHE  27           1HD      PHE  27   5.328  -8.734   8.224
  216    HD2  PHE  27           2HD      PHE  27   8.548  -7.465   5.681
  217    HE1  PHE  27           1HE      PHE  27   6.949  -9.217  10.036
  218    HE2  PHE  27           2HE      PHE  27  10.170  -7.950   7.493
  219    HZ   PHE  27           HZ       PHE  27   9.371  -8.827   9.671
  220    H    LYS  28           H        LYS  28   4.439  -9.291   2.692
  221    HA   LYS  28           HA       LYS  28   2.227  -9.420   1.828
  222   1HB   LYS  28          2HB       LYS  28   1.161  -9.327   4.640
  223   2HB   LYS  28          1HB       LYS  28   0.587 -10.270   3.267
  224   1HG   LYS  28          2HG       LYS  28   3.178 -11.208   3.665
  225   2HG   LYS  28          1HG       LYS  28   2.566 -10.965   5.302
  226   1HD   LYS  28          2HD       LYS  28   1.084 -12.485   3.134
  227   2HD   LYS  28          1HD       LYS  28   2.057 -13.246   4.392
  228   1HE   LYS  28          2HE       LYS  28  -0.021 -11.282   5.275
  229   2HE   LYS  28          1HE       LYS  28  -0.572 -12.878   4.729
  230   1HZ   LYS  28          1HZ       LYS  28   0.454 -13.918   6.426
  231   2HZ   LYS  28          2HZ       LYS  28   0.364 -12.404   7.190
  232   3HZ   LYS  28          3HZ       LYS  28   1.794 -12.879   6.407
  233    H    LEU  29           H        LEU  29   3.686  -6.916   3.012
  234    HA   LEU  29           HA       LEU  29   1.266  -5.133   3.068
  235   1HB   LEU  29          2HB       LEU  29   3.971  -4.474   4.239
  236   2HB   LEU  29          1HB       LEU  29   2.399  -3.804   4.666
  237    HG   LEU  29           HG       LEU  29   3.425  -6.588   5.268
  238   1HD1  LEU  29          1HD1      LEU  29   2.506  -5.597   7.595
  239   2HD1  LEU  29          2HD1      LEU  29   2.925  -4.080   6.798
  240   3HD1  LEU  29          3HD1      LEU  29   4.158  -5.319   7.040
  241   1HD2  LEU  29          1HD2      LEU  29   0.725  -5.660   4.803
  242   2HD2  LEU  29          2HD2      LEU  29   0.913  -6.145   6.488
  243   3HD2  LEU  29          3HD2      LEU  29   1.282  -7.287   5.195
  244    H    CYS  30           H        CYS  30   1.854  -2.842   2.248
  245    HA   CYS  30           HA       CYS  30   3.361  -3.171  -0.274
  246   1HB   CYS  30          2HB       CYS  30   2.012  -1.443  -1.030
  247   2HB   CYS  30          1HB       CYS  30   0.966  -2.188   0.158
  248    H    ASN  31           H        ASN  31   5.344  -2.316  -0.579
  249    HA   ASN  31           HA       ASN  31   6.405  -0.416   1.489
  250   1HB   ASN  31          2HB       ASN  31   7.332  -2.824   1.057
  251   2HB   ASN  31          1HB       ASN  31   8.046  -2.111  -0.390
  252   1HD2  ASN  31          1HD2      ASN  31   7.791  -1.405   3.146
  253   2HD2  ASN  31          2HD2      ASN  31   9.365  -0.786   3.281
  254    H    PHE  32           H        PHE  32   8.726  -0.269  -0.653
  255    HA   PHE  32           HA       PHE  32   7.798   2.213  -1.875
  256   1HB   PHE  32          2HB       PHE  32  10.278   0.499  -1.920
  257   2HB   PHE  32          1HB       PHE  32  10.126   1.872  -3.016
  258    HD1  PHE  32           1HD      PHE  32   9.055   4.051  -1.737
  259    HD2  PHE  32           2HD      PHE  32  11.400   0.937   0.065
  260    HE1  PHE  32           1HE      PHE  32   9.692   5.593   0.099
  261    HE2  PHE  32           2HE      PHE  32  12.037   2.478   1.901
  262    HZ   PHE  32           HZ       PHE  32  11.184   4.806   1.917
  263    H    SER  33           H        SER  33   8.650   2.249  -4.427
  264    HA   SER  33           HA       SER  33   6.647   0.786  -5.884
  265   1HB   SER  33          2HB       SER  33   7.969   3.009  -6.351
  266   2HB   SER  33          1HB       SER  33   9.147   1.939  -7.103
  267    HG   SER  33           HG       SER  33   6.687   2.732  -7.970
  268    H    PHE  34           H        PHE  34   8.314   0.000  -8.157
  269    HA   PHE  34           HA       PHE  34   9.336  -2.589  -7.072
  270   1HB   PHE  34          2HB       PHE  34   7.566  -2.759  -8.710
  271   2HB   PHE  34          1HB       PHE  34   8.394  -1.639  -9.793
  272    HD1  PHE  34           1HD      PHE  34   9.703  -2.503 -11.518
  273    HD2  PHE  34           2HD      PHE  34   8.992  -4.888  -7.995
  274    HE1  PHE  34           1HE      PHE  34  10.921  -4.406 -12.561
  275    HE2  PHE  34           2HE      PHE  34  10.215  -6.791  -9.038
  276    HZ   PHE  34           HZ       PHE  34  11.177  -6.550 -11.322
  277   1HN   NH2  35          1HN       NH2  35  10.269   0.372  -8.941
  278   2HN   NH2  35          2HN       NH2  35  11.985  -0.072  -9.147
  Start of MODEL   12
    1   1H    GLY   1          1HT       GLY   1  -9.792   7.346  -1.996
    2   2H    GLY   1          2HT       GLY   1  -9.484   5.703  -1.691
    3   3H    GLY   1          3HT       GLY   1  -9.560   6.273  -3.289
    4   1HA   GLY   1          2HA       GLY   1  -7.537   7.370  -3.156
    5   2HA   GLY   1          1HA       GLY   1  -7.564   7.335  -1.393
    6    H    CYS   2           H        CYS   2  -5.611   6.197  -1.128
    7    HA   CYS   2           HA       CYS   2  -5.629   3.379  -2.135
    8   1HB   CYS   2          2HB       CYS   2  -3.090   3.745  -2.076
    9   2HB   CYS   2          1HB       CYS   2  -3.969   4.581  -3.348
   10    H    LEU   3           H        LEU   3  -3.536   2.371  -0.721
   11    HA   LEU   3           HA       LEU   3  -4.601   2.270   2.012
   12   1HB   LEU   3          2HB       LEU   3  -2.213   0.914   0.719
   13   2HB   LEU   3          1HB       LEU   3  -3.047   0.400   2.184
   14    HG   LEU   3           HG       LEU   3  -4.293   0.556  -0.575
   15   1HD1  LEU   3          1HD1      LEU   3  -2.794  -1.520   0.832
   16   2HD1  LEU   3          2HD1      LEU   3  -3.307  -1.459  -0.854
   17   3HD1  LEU   3          3HD1      LEU   3  -4.412  -2.060   0.383
   18   1HD2  LEU   3          1HD2      LEU   3  -5.881   1.010   1.263
   19   2HD2  LEU   3          2HD2      LEU   3  -5.372  -0.473   2.070
   20   3HD2  LEU   3          3HD2      LEU   3  -6.212  -0.555   0.521
   21    H    GLU   4           H        GLU   4  -1.419   1.680   2.461
   22    HA   GLU   4           HA       GLU   4  -0.659   4.526   2.978
   23   1HB   GLU   4          2HB       GLU   4  -1.647   2.738   4.869
   24   2HB   GLU   4          1HB       GLU   4   0.101   2.645   5.081
   25   1HG   GLU   4          2HG       GLU   4   0.281   4.850   5.734
   26   2HG   GLU   4          1HG       GLU   4  -1.112   5.355   4.778
   27    H    PHE   5           H        PHE   5   1.683   3.854   4.391
   28    HA   PHE   5           HA       PHE   5   3.449   3.136   2.169
   29   1HB   PHE   5          2HB       PHE   5   3.557   4.748   4.386
   30   2HB   PHE   5          1HB       PHE   5   4.519   3.367   4.912
   31    HD1  PHE   5           1HD      PHE   5   4.855   6.472   3.545
   32    HD2  PHE   5           2HD      PHE   5   5.994   2.413   2.722
   33    HE1  PHE   5           1HE      PHE   5   6.762   7.285   2.184
   34    HE2  PHE   5           2HE      PHE   5   7.904   3.226   1.361
   35    HZ   PHE   5           HZ       PHE   5   8.287   5.663   1.093
   36    H    TRP   6           H        TRP   6   1.753   1.314   4.468
   37    HA   TRP   6           HA       TRP   6   3.351  -1.092   3.857
   38   1HB   TRP   6          2HB       TRP   6   4.415   0.273   5.784
   39   2HB   TRP   6          1HB       TRP   6   3.018  -0.220   6.740
   40    HD1  TRP   6           HD       TRP   6   2.924  -2.680   7.598
   41    HE1  TRP   6           1HE      TRP   6   4.578  -4.658   7.506
   42    HE3  TRP   6           3HE      TRP   6   6.292  -0.841   4.249
   43    HZ2  TRP   6           2HZ      TRP   6   7.017  -5.362   6.179
   44    HZ3  TRP   6           3HZ      TRP   6   8.268  -2.176   3.583
   45    HH2  TRP   6           HH       TRP   6   8.638  -4.434   4.542
   46    H    TRP   7           H        TRP   7   0.631  -0.568   3.266
   47    HA   TRP   7           HA       TRP   7  -0.939  -1.957   5.384
   48   1HB   TRP   7          2HB       TRP   7  -1.469  -0.234   2.993
   49   2HB   TRP   7          1HB       TRP   7  -2.739  -1.348   3.501
   50    HD1  TRP   7           HD       TRP   7  -0.617  -0.207   6.324
   51    HE1  TRP   7           1HE      TRP   7  -1.873   1.543   7.741
   52    HE3  TRP   7           3HE      TRP   7  -4.554   0.779   3.225
   53    HZ2  TRP   7           2HZ      TRP   7  -4.234   3.146   7.582
   54    HZ3  TRP   7           3HZ      TRP   7  -6.289   2.420   3.882
   55    HH2  TRP   7           HH       TRP   7  -6.134   3.604   6.054
   56    H    LYS   8           H        LYS   8  -2.227  -3.872   4.763
   57    HA   LYS   8           HA       LYS   8  -0.922  -5.972   3.552
   58   1HB   LYS   8          2HB       LYS   8  -3.862  -5.475   3.081
   59   2HB   LYS   8          1HB       LYS   8  -3.055  -7.012   3.347
   60   1HG   LYS   8          2HG       LYS   8  -2.399  -5.529   5.611
   61   2HG   LYS   8          1HG       LYS   8  -4.088  -5.121   5.310
   62   1HD   LYS   8          2HD       LYS   8  -3.360  -7.993   5.059
   63   2HD   LYS   8          1HD       LYS   8  -3.349  -7.317   6.689
   64   1HE   LYS   8          2HE       LYS   8  -5.676  -6.361   6.142
   65   2HE   LYS   8          1HE       LYS   8  -5.665  -7.461   4.748
   66   1HZ   LYS   8          1HZ       LYS   8  -4.740  -9.037   6.718
   67   2HZ   LYS   8          2HZ       LYS   8  -6.365  -8.978   6.229
   68   3HZ   LYS   8          3HZ       LYS   8  -5.846  -8.074   7.571
   69    H    CYS   9           H        CYS   9  -0.994  -6.904   1.384
   70    HA   CYS   9           HA       CYS   9  -1.982  -5.224  -0.834
   71   1HB   CYS   9          2HB       CYS   9   0.245  -4.800  -1.724
   72   2HB   CYS   9          1HB       CYS   9   0.190  -4.234  -0.053
   73    H    ASN  10           H        ASN  10  -1.314  -6.246  -2.981
   74    HA   ASN  10           HA       ASN  10  -0.497  -9.063  -2.936
   75   1HB   ASN  10          2HB       ASN  10  -3.221  -8.306  -2.611
   76   2HB   ASN  10          1HB       ASN  10  -3.062  -8.959  -4.243
   77   1HD2  ASN  10          1HD2      ASN  10  -3.630 -11.140  -4.164
   78   2HD2  ASN  10          2HD2      ASN  10  -3.123 -12.235  -2.969
   79    HA   PRO  11           HA       PRO  11   0.890  -7.532  -6.862
   80   1HB   PRO  11          2HB       PRO  11   1.657  -9.967  -7.895
   81   2HB   PRO  11          1HB       PRO  11   2.625  -9.052  -6.718
   82   1HG   PRO  11          2HG       PRO  11   0.729 -11.318  -6.248
   83   2HG   PRO  11          1HG       PRO  11   2.347 -11.048  -5.573
   84   1HD   PRO  11          2HD       PRO  11   0.151 -10.497  -4.145
   85   2HD   PRO  11          1HD       PRO  11   1.593  -9.457  -4.050
   86    H    ASN  12           H        ASN  12  -1.762  -9.584  -6.268
   87    HA   ASN  12           HA       ASN  12  -2.528  -9.881  -9.116
   88   1HB   ASN  12          2HB       ASN  12  -2.835 -11.497  -7.027
   89   2HB   ASN  12          1HB       ASN  12  -4.283 -10.523  -6.764
   90   1HD2  ASN  12          1HD2      ASN  12  -4.412 -10.097  -9.833
   91   2HD2  ASN  12          2HD2      ASN  12  -5.097 -11.540 -10.408
   92    H    ASP  13           H        ASP  13  -3.793  -8.339  -6.148
   93    HA   ASP  13           HA       ASP  13  -5.095  -6.256  -7.856
   94   1HB   ASP  13          2HB       ASP  13  -6.342  -7.699  -5.492
   95   2HB   ASP  13          1HB       ASP  13  -7.130  -6.504  -6.524
   96    H    ASP  14           H        ASP  14  -2.780  -5.550  -6.788
   97    HA   ASP  14           HA       ASP  14  -2.694  -4.812  -4.026
   98   1HB   ASP  14          2HB       ASP  14  -0.765  -3.531  -4.729
   99   2HB   ASP  14          1HB       ASP  14  -0.814  -4.994  -5.713
  100    H    LYS  15           H        LYS  15  -2.864  -2.607  -3.134
  101    HA   LYS  15           HA       LYS  15  -4.526  -0.708  -4.726
  102   1HB   LYS  15          2HB       LYS  15  -6.012  -2.201  -3.429
  103   2HB   LYS  15          1HB       LYS  15  -5.155  -1.764  -1.951
  104   1HG   LYS  15          2HG       LYS  15  -6.196   0.253  -1.795
  105   2HG   LYS  15          1HG       LYS  15  -6.104   0.540  -3.533
  106   1HD   LYS  15          2HD       LYS  15  -8.415   0.283  -3.146
  107   2HD   LYS  15          1HD       LYS  15  -7.917  -1.312  -3.716
  108   1HE   LYS  15          2HE       LYS  15  -7.510  -1.238  -0.882
  109   2HE   LYS  15          1HE       LYS  15  -9.156  -0.666  -1.221
  110   1HZ   LYS  15          1HZ       LYS  15  -9.500  -2.902  -1.351
  111   2HZ   LYS  15          2HZ       LYS  15  -7.916  -3.242  -1.860
  112   3HZ   LYS  15          3HZ       LYS  15  -9.049  -2.615  -2.960
  113    H    CYS  16           H        CYS  16  -1.774  -1.116  -2.974
  114    HA   CYS  16           HA       CYS  16  -1.790   1.053  -1.100
  115   1HB   CYS  16          2HB       CYS  16  -0.122  -0.856  -1.338
  116   2HB   CYS  16          1HB       CYS  16   0.550   0.002  -2.725
  117    H    CYS  17           H        CYS  17  -1.002   3.224  -1.372
  118    HA   CYS  17           HA       CYS  17  -1.777   4.708  -3.586
  119   1HB   CYS  17          2HB       CYS  17   0.691   5.126  -1.860
  120   2HB   CYS  17          1HB       CYS  17  -0.186   6.380  -2.732
  121    H    ARG  18           H        ARG  18  -0.610   5.467  -5.500
  122    HA   ARG  18           HA       ARG  18   1.569   3.584  -6.306
  123   1HB   ARG  18          2HB       ARG  18  -0.876   4.323  -7.448
  124   2HB   ARG  18          1HB       ARG  18   0.341   5.153  -8.420
  125   1HG   ARG  18          2HG       ARG  18  -0.067   2.920  -9.335
  126   2HG   ARG  18          1HG       ARG  18   1.567   3.009  -8.676
  127   1HD   ARG  18          2HD       ARG  18   1.123   1.396  -7.141
  128   2HD   ARG  18          1HD       ARG  18  -0.391   2.186  -6.657
  129    HE   ARG  18           HE       ARG  18  -1.550   0.882  -8.278
  130   1HH1  ARG  18          1HH2      ARG  18   1.113  -0.777  -7.604
  131   2HH1  ARG  18          2HH2      ARG  18   1.403  -1.434  -9.180
  132   1HH2  ARG  18          1HH1      ARG  18  -0.859   0.665 -10.761
  133   2HH2  ARG  18          2HH1      ARG  18   0.288  -0.616 -10.968
  134    HA   PRO  19           HA       PRO  19   3.128   8.054  -6.755
  135   1HB   PRO  19          2HB       PRO  19   4.020   8.807  -4.285
  136   2HB   PRO  19          1HB       PRO  19   2.382   9.172  -4.856
  137   1HG   PRO  19          2HG       PRO  19   3.300   7.080  -2.968
  138   2HG   PRO  19          1HG       PRO  19   1.798   8.012  -2.980
  139   1HD   PRO  19          2HD       PRO  19   2.047   5.401  -3.853
  140   2HD   PRO  19          1HD       PRO  19   0.745   6.517  -4.317
  141    H    LYS  20           H        LYS  20   4.132   5.417  -4.666
  142    HA   LYS  20           HA       LYS  20   6.573   4.901  -6.062
  143   1HB   LYS  20          2HB       LYS  20   8.192   5.879  -4.565
  144   2HB   LYS  20          1HB       LYS  20   7.045   7.152  -4.970
  145   1HG   LYS  20          2HG       LYS  20   6.181   5.613  -2.641
  146   2HG   LYS  20          1HG       LYS  20   7.760   6.356  -2.398
  147   1HD   LYS  20          2HD       LYS  20   5.308   7.827  -3.392
  148   2HD   LYS  20          1HD       LYS  20   5.875   7.846  -1.723
  149   1HE   LYS  20          2HE       LYS  20   7.747   9.137  -2.230
  150   2HE   LYS  20          1HE       LYS  20   7.803   8.573  -3.913
  151   1HZ   LYS  20          1HZ       LYS  20   5.997   9.879  -4.504
  152   2HZ   LYS  20          2HZ       LYS  20   6.853  10.901  -3.451
  153   3HZ   LYS  20          3HZ       LYS  20   5.473  10.075  -2.902
  154    H    LEU  21           H        LEU  21   4.508   3.247  -5.028
  155    HA   LEU  21           HA       LEU  21   6.063   1.675  -3.012
  156   1HB   LEU  21          2HB       LEU  21   3.128   2.410  -2.909
  157   2HB   LEU  21          1HB       LEU  21   3.913   1.292  -1.797
  158    HG   LEU  21           HG       LEU  21   4.692   4.199  -2.190
  159   1HD1  LEU  21          1HD1      LEU  21   3.488   2.960   0.283
  160   2HD1  LEU  21          2HD1      LEU  21   2.466   3.615  -0.997
  161   3HD1  LEU  21          3HD1      LEU  21   3.599   4.666  -0.148
  162   1HD2  LEU  21          1HD2      LEU  21   6.136   1.980  -1.164
  163   2HD2  LEU  21          2HD2      LEU  21   5.640   2.943   0.228
  164   3HD2  LEU  21          3HD2      LEU  21   6.580   3.684  -1.067
  165    H    LYS  22           H        LYS  22   5.188  -0.555  -2.826
  166    HA   LYS  22           HA       LYS  22   3.496  -1.619  -4.920
  167   1HB   LYS  22          2HB       LYS  22   6.050  -1.153  -5.670
  168   2HB   LYS  22          1HB       LYS  22   6.251  -2.751  -4.952
  169   1HG   LYS  22          2HG       LYS  22   3.920  -2.405  -6.767
  170   2HG   LYS  22          1HG       LYS  22   5.513  -2.401  -7.525
  171   1HD   LYS  22          2HD       LYS  22   5.154  -4.507  -5.495
  172   2HD   LYS  22          1HD       LYS  22   4.098  -4.669  -6.898
  173   1HE   LYS  22          2HE       LYS  22   5.891  -4.904  -8.389
  174   2HE   LYS  22          1HE       LYS  22   7.030  -4.092  -7.297
  175   1HZ   LYS  22          1HZ       LYS  22   6.567  -6.814  -7.479
  176   2HZ   LYS  22          2HZ       LYS  22   5.842  -6.332  -6.020
  177   3HZ   LYS  22          3HZ       LYS  22   7.487  -6.012  -6.303
  178    H    CYS  23           H        CYS  23   2.651  -3.607  -4.213
  179    HA   CYS  23           HA       CYS  23   2.620  -4.433  -1.610
  180   1HB   CYS  23          2HB       CYS  23   1.347  -5.436  -3.520
  181   2HB   CYS  23          1HB       CYS  23   2.812  -6.281  -4.013
  182    H    SER  24           H        SER  24   3.938  -5.547  -0.194
  183    HA   SER  24           HA       SER  24   6.637  -6.387  -1.198
  184   1HB   SER  24          2HB       SER  24   5.779  -4.509   0.807
  185   2HB   SER  24          1HB       SER  24   6.659  -5.817   1.592
  186    HG   SER  24           HG       SER  24   8.009  -4.096   0.812
  187    H    LYS  25           H        LYS  25   6.474  -8.600  -1.282
  188    HA   LYS  25           HA       LYS  25   4.781 -10.243   0.320
  189   1HB   LYS  25          2HB       LYS  25   6.055 -10.648  -1.902
  190   2HB   LYS  25          1HB       LYS  25   7.428 -11.070  -0.877
  191   1HG   LYS  25          2HG       LYS  25   6.257 -12.885   0.122
  192   2HG   LYS  25          1HG       LYS  25   4.706 -12.330  -0.510
  193   1HD   LYS  25          2HD       LYS  25   6.961 -13.067  -2.371
  194   2HD   LYS  25          1HD       LYS  25   5.875 -14.302  -1.729
  195   1HE   LYS  25          2HE       LYS  25   4.422 -13.763  -3.385
  196   2HE   LYS  25          1HE       LYS  25   4.209 -12.184  -2.604
  197   1HZ   LYS  25          1HZ       LYS  25   5.059 -11.602  -4.660
  198   2HZ   LYS  25          2HZ       LYS  25   6.086 -12.952  -4.744
  199   3HZ   LYS  25          3HZ       LYS  25   6.462 -11.658  -3.710
  200    H    LEU  26           H        LEU  26   7.919  -8.829   0.956
  201    HA   LEU  26           HA       LEU  26   9.155 -10.447   2.808
  202   1HB   LEU  26          2HB       LEU  26   8.554  -7.481   3.062
  203   2HB   LEU  26          1HB       LEU  26   9.877  -8.328   3.859
  204    HG   LEU  26           HG       LEU  26   9.845  -8.859   0.998
  205   1HD1  LEU  26          1HD1      LEU  26   9.359  -6.790   0.237
  206   2HD1  LEU  26          2HD1      LEU  26  10.859  -6.252   0.992
  207   3HD1  LEU  26          3HD1      LEU  26   9.336  -6.128   1.872
  208   1HD2  LEU  26          1HD2      LEU  26  12.122  -7.374   1.938
  209   2HD2  LEU  26          2HD2      LEU  26  12.027  -9.084   1.520
  210   3HD2  LEU  26          3HD2      LEU  26  11.666  -8.557   3.165
  211    H    PHE  27           H        PHE  27   6.379  -8.301   3.472
  212    HA   PHE  27           HA       PHE  27   5.769  -9.987   5.874
  213   1HB   PHE  27          2HB       PHE  27   6.293  -7.088   5.568
  214   2HB   PHE  27          1HB       PHE  27   4.904  -7.511   6.570
  215    HD1  PHE  27           1HD      PHE  27   5.267  -7.929   8.820
  216    HD2  PHE  27           2HD      PHE  27   8.456  -8.603   6.024
  217    HE1  PHE  27           1HE      PHE  27   6.780  -8.518  10.688
  218    HE2  PHE  27           2HE      PHE  27   9.973  -9.195   7.895
  219    HZ   PHE  27           HZ       PHE  27   9.134  -9.153  10.229
  220    H    LYS  28           H        LYS  28   4.719  -8.923   2.913
  221    HA   LYS  28           HA       LYS  28   2.596  -9.276   1.891
  222   1HB   LYS  28          2HB       LYS  28   1.361  -9.412   4.640
  223   2HB   LYS  28          1HB       LYS  28   0.835 -10.204   3.157
  224   1HG   LYS  28          2HG       LYS  28   3.490 -11.087   3.682
  225   2HG   LYS  28          1HG       LYS  28   2.588 -11.215   5.191
  226   1HD   LYS  28          2HD       LYS  28   1.479 -12.238   2.571
  227   2HD   LYS  28          1HD       LYS  28   2.478 -13.244   3.621
  228   1HE   LYS  28          2HE       LYS  28   0.784 -13.548   5.115
  229   2HE   LYS  28          1HE       LYS  28   0.301 -11.842   5.039
  230   1HZ   LYS  28          1HZ       LYS  28  -0.406 -14.044   3.204
  231   2HZ   LYS  28          2HZ       LYS  28  -0.443 -12.432   2.669
  232   3HZ   LYS  28          3HZ       LYS  28  -1.431 -12.925   3.961
  233    H    LEU  29           H        LEU  29   3.805  -6.722   3.119
  234    HA   LEU  29           HA       LEU  29   1.266  -5.103   3.148
  235   1HB   LEU  29          2HB       LEU  29   3.983  -4.590   4.419
  236   2HB   LEU  29          1HB       LEU  29   2.638  -3.457   4.448
  237    HG   LEU  29           HG       LEU  29   2.562  -4.647   6.526
  238   1HD1  LEU  29          1HD1      LEU  29   0.544  -6.284   5.108
  239   2HD1  LEU  29          2HD1      LEU  29   0.455  -4.548   4.816
  240   3HD1  LEU  29          3HD1      LEU  29   0.343  -5.172   6.462
  241   1HD2  LEU  29          1HD2      LEU  29   3.197  -6.804   6.770
  242   2HD2  LEU  29          2HD2      LEU  29   3.779  -6.690   5.108
  243   3HD2  LEU  29          3HD2      LEU  29   2.171  -7.336   5.437
  244    H    CYS  30           H        CYS  30   1.846  -2.736   2.324
  245    HA   CYS  30           HA       CYS  30   3.280  -3.131  -0.242
  246   1HB   CYS  30          2HB       CYS  30   1.844  -1.503  -1.052
  247   2HB   CYS  30          1HB       CYS  30   0.848  -2.265   0.166
  248    H    ASN  31           H        ASN  31   5.205  -2.186  -0.629
  249    HA   ASN  31           HA       ASN  31   5.986   0.331   0.672
  250   1HB   ASN  31          2HB       ASN  31   6.464  -1.240   2.431
  251   2HB   ASN  31          1HB       ASN  31   7.274  -2.333   1.318
  252   1HD2  ASN  31          1HD2      ASN  31   9.493  -1.948   0.891
  253   2HD2  ASN  31          2HD2      ASN  31  10.358  -0.636   1.531
  254    H    PHE  32           H        PHE  32   8.346   0.811   0.015
  255    HA   PHE  32           HA       PHE  32   9.532  -0.553  -2.222
  256   1HB   PHE  32          2HB       PHE  32   7.445   0.299  -3.250
  257   2HB   PHE  32          1HB       PHE  32   7.914   1.937  -2.797
  258    HD1  PHE  32           1HD      PHE  32   9.568   3.153  -4.028
  259    HD2  PHE  32           2HD      PHE  32   8.827  -0.989  -4.879
  260    HE1  PHE  32           1HE      PHE  32  10.940   3.333  -6.089
  261    HE2  PHE  32           2HE      PHE  32  10.196  -0.814  -6.941
  262    HZ   PHE  32           HZ       PHE  32  11.253   1.349  -7.545
  263    H    SER  33           H        SER  33   9.053   2.927  -1.638
  264    HA   SER  33           HA       SER  33  12.001   3.283  -1.526
  265   1HB   SER  33          2HB       SER  33   9.759   4.700  -2.529
  266   2HB   SER  33          1HB       SER  33  10.430   5.688  -1.234
  267    HG   SER  33           HG       SER  33  12.043   4.492  -3.229
  268    H    PHE  34           H        PHE  34  13.065   3.928   0.350
  269    HA   PHE  34           HA       PHE  34  11.628   3.691   2.894
  270   1HB   PHE  34          2HB       PHE  34  13.892   2.799   2.538
  271   2HB   PHE  34          1HB       PHE  34  14.485   4.418   2.164
  272    HD1  PHE  34           1HD      PHE  34  12.041   3.366   4.788
  273    HD2  PHE  34           2HD      PHE  34  15.974   4.918   3.936
  274    HE1  PHE  34           1HE      PHE  34  12.395   3.795   7.213
  275    HE2  PHE  34           2HE      PHE  34  16.327   5.349   6.364
  276    HZ   PHE  34           HZ       PHE  34  14.538   4.787   8.002
  277   1HN   NH2  35          1HN       NH2  35  13.583   6.343   1.223
  278   2HN   NH2  35          2HN       NH2  35  12.793   7.688   2.089
  Start of MODEL   13
    1   1H    GLY   1          1HT       GLY   1  -9.100   7.104  -3.221
    2   2H    GLY   1          2HT       GLY   1  -7.793   6.099  -3.627
    3   3H    GLY   1          3HT       GLY   1  -7.545   7.464  -2.647
    4   1HA   GLY   1          2HA       GLY   1  -8.314   6.474  -0.784
    5   2HA   GLY   1          1HA       GLY   1  -9.476   5.504  -1.689
    6    H    CYS   2           H        CYS   2  -5.932   5.867  -1.359
    7    HA   CYS   2           HA       CYS   2  -5.650   2.953  -1.915
    8   1HB   CYS   2          2HB       CYS   2  -3.239   3.628  -2.170
    9   2HB   CYS   2          1HB       CYS   2  -4.325   4.427  -3.292
   10    H    LEU   3           H        LEU   3  -3.378   2.293  -0.622
   11    HA   LEU   3           HA       LEU   3  -4.136   2.549   2.251
   12   1HB   LEU   3          2HB       LEU   3  -2.201   0.609   0.983
   13   2HB   LEU   3          1HB       LEU   3  -3.112   0.428   2.468
   14    HG   LEU   3           HG       LEU   3  -4.229   0.425  -0.340
   15   1HD1  LEU   3          1HD1      LEU   3  -4.094  -1.819  -0.186
   16   2HD1  LEU   3          2HD1      LEU   3  -4.947  -1.799   1.358
   17   3HD1  LEU   3          3HD1      LEU   3  -3.194  -1.618   1.319
   18   1HD2  LEU   3          1HD2      LEU   3  -5.465   1.246   2.095
   19   2HD2  LEU   3          2HD2      LEU   3  -6.131  -0.332   1.673
   20   3HD2  LEU   3          3HD2      LEU   3  -6.228   1.002   0.524
   21    H    GLU   4           H        GLU   4  -2.199   2.484   3.787
   22    HA   GLU   4           HA       GLU   4  -0.454   4.711   3.357
   23   1HB   GLU   4          2HB       GLU   4  -1.132   2.773   5.371
   24   2HB   GLU   4          1HB       GLU   4   0.623   2.930   5.297
   25   1HG   GLU   4          2HG       GLU   4  -0.954   5.455   5.209
   26   2HG   GLU   4          1HG       GLU   4  -0.900   4.600   6.751
   27    H    PHE   5           H        PHE   5   2.067   4.010   4.040
   28    HA   PHE   5           HA       PHE   5   3.086   2.753   1.587
   29   1HB   PHE   5          2HB       PHE   5   4.565   4.406   2.047
   30   2HB   PHE   5          1HB       PHE   5   3.914   4.605   3.668
   31    HD1  PHE   5           1HD      PHE   5   6.596   3.204   1.650
   32    HD2  PHE   5           2HD      PHE   5   4.784   3.173   5.544
   33    HE1  PHE   5           1HE      PHE   5   8.643   2.173   2.594
   34    HE2  PHE   5           2HE      PHE   5   6.832   2.142   6.488
   35    HZ   PHE   5           HZ       PHE   5   8.762   1.642   5.013
   36    H    TRP   6           H        TRP   6   1.762   1.314   4.097
   37    HA   TRP   6           HA       TRP   6   3.429  -1.098   3.880
   38   1HB   TRP   6          2HB       TRP   6   4.548   0.446   5.550
   39   2HB   TRP   6          1HB       TRP   6   3.096   0.329   6.544
   40    HD1  TRP   6           HD       TRP   6   3.544  -1.271   8.451
   41    HE1  TRP   6           1HE      TRP   6   4.681  -3.570   8.711
   42    HE3  TRP   6           3HE      TRP   6   5.229  -1.963   3.683
   43    HZ2  TRP   6           2HZ      TRP   6   6.114  -5.453   7.107
   44    HZ3  TRP   6           3HZ      TRP   6   6.477  -4.016   3.076
   45    HH2  TRP   6           HH       TRP   6   6.922  -5.760   4.781
   46    H    TRP   7           H        TRP   7   0.787  -0.770   3.143
   47    HA   TRP   7           HA       TRP   7  -0.794  -1.987   5.382
   48   1HB   TRP   7          2HB       TRP   7  -1.304  -0.132   3.118
   49   2HB   TRP   7          1HB       TRP   7  -2.590  -1.286   3.468
   50    HD1  TRP   7           HD       TRP   7  -0.398  -0.072   6.303
   51    HE1  TRP   7           1HE      TRP   7  -1.796   1.409   7.882
   52    HE3  TRP   7           3HE      TRP   7  -4.653   0.391   3.528
   53    HZ2  TRP   7           2HZ      TRP   7  -4.383   2.629   7.958
   54    HZ3  TRP   7           3HZ      TRP   7  -6.571   1.718   4.375
   55    HH2  TRP   7           HH       TRP   7  -6.440   2.837   6.584
   56    H    LYS   8           H        LYS   8  -2.421  -3.675   4.539
   57    HA   LYS   8           HA       LYS   8  -1.244  -5.909   3.403
   58   1HB   LYS   8          2HB       LYS   8  -4.031  -5.154   2.570
   59   2HB   LYS   8          1HB       LYS   8  -3.420  -6.724   3.064
   60   1HG   LYS   8          2HG       LYS   8  -3.020  -5.608   5.375
   61   2HG   LYS   8          1HG       LYS   8  -4.134  -4.368   4.798
   62   1HD   LYS   8          2HD       LYS   8  -5.492  -6.636   4.117
   63   2HD   LYS   8          1HD       LYS   8  -4.675  -7.162   5.590
   64   1HE   LYS   8          2HE       LYS   8  -6.525  -6.189   6.577
   65   2HE   LYS   8          1HE       LYS   8  -5.549  -4.718   6.397
   66   1HZ   LYS   8          1HZ       LYS   8  -7.596  -5.762   4.518
   67   2HZ   LYS   8          2HZ       LYS   8  -6.510  -4.518   4.117
   68   3HZ   LYS   8          3HZ       LYS   8  -7.636  -4.297   5.370
   69    H    CYS   9           H        CYS   9  -0.997  -6.704   1.254
   70    HA   CYS   9           HA       CYS   9  -1.558  -4.791  -0.968
   71   1HB   CYS   9          2HB       CYS   9   0.750  -4.875  -1.690
   72   2HB   CYS   9          1HB       CYS   9   0.742  -4.449   0.019
   73    H    ASN  10           H        ASN  10  -1.025  -5.890  -3.129
   74    HA   ASN  10           HA       ASN  10  -1.117  -8.843  -3.101
   75   1HB   ASN  10          2HB       ASN  10  -3.453  -7.397  -2.929
   76   2HB   ASN  10          1HB       ASN  10  -3.297  -7.620  -4.671
   77   1HD2  ASN  10          1HD2      ASN  10  -3.284  -9.850  -5.499
   78   2HD2  ASN  10          2HD2      ASN  10  -3.848 -11.135  -4.546
   79    HA   PRO  11           HA       PRO  11   1.259  -7.639  -6.706
   80   1HB   PRO  11          2HB       PRO  11   1.878 -10.211  -7.457
   81   2HB   PRO  11          1HB       PRO  11   2.733  -9.338  -6.169
   82   1HG   PRO  11          2HG       PRO  11   0.527 -11.341  -5.947
   83   2HG   PRO  11          1HG       PRO  11   2.013 -11.194  -4.992
   84   1HD   PRO  11          2HD       PRO  11  -0.347 -10.315  -4.056
   85   2HD   PRO  11          1HD       PRO  11   1.173  -9.460  -3.701
   86    H    ASN  12           H        ASN  12  -1.585  -9.607  -6.507
   87    HA   ASN  12           HA       ASN  12  -1.926  -9.653  -9.468
   88   1HB   ASN  12          2HB       ASN  12  -2.294 -11.701  -8.118
   89   2HB   ASN  12          1HB       ASN  12  -3.530 -10.856  -7.186
   90   1HD2  ASN  12          1HD2      ASN  12  -2.940 -10.730 -10.730
   91   2HD2  ASN  12          2HD2      ASN  12  -4.475 -11.313 -11.159
   92    H    ASP  13           H        ASP  13  -2.773  -7.798  -6.738
   93    HA   ASP  13           HA       ASP  13  -4.436  -5.991  -8.289
   94   1HB   ASP  13          2HB       ASP  13  -5.853  -8.086  -7.719
   95   2HB   ASP  13          1HB       ASP  13  -5.823  -7.490  -6.059
   96    H    ASP  14           H        ASP  14  -2.184  -5.397  -6.920
   97    HA   ASP  14           HA       ASP  14  -2.345  -4.799  -4.155
   98   1HB   ASP  14          2HB       ASP  14  -0.372  -4.775  -5.781
   99   2HB   ASP  14          1HB       ASP  14  -0.921  -3.173  -6.275
  100    H    LYS  15           H        LYS  15  -2.809  -2.786  -3.079
  101    HA   LYS  15           HA       LYS  15  -4.517  -0.888  -4.651
  102   1HB   LYS  15          2HB       LYS  15  -5.869  -2.397  -3.281
  103   2HB   LYS  15          1HB       LYS  15  -4.896  -2.016  -1.861
  104   1HG   LYS  15          2HG       LYS  15  -5.901   0.012  -1.549
  105   2HG   LYS  15          1HG       LYS  15  -6.061   0.312  -3.280
  106   1HD   LYS  15          2HD       LYS  15  -7.814  -1.633  -3.190
  107   2HD   LYS  15          1HD       LYS  15  -7.861  -1.269  -1.464
  108   1HE   LYS  15          2HE       LYS  15  -9.576   0.090  -2.454
  109   2HE   LYS  15          1HE       LYS  15  -8.214   1.193  -2.169
  110   1HZ   LYS  15          1HZ       LYS  15  -9.328   0.967  -4.540
  111   2HZ   LYS  15          2HZ       LYS  15  -8.232  -0.325  -4.667
  112   3HZ   LYS  15          3HZ       LYS  15  -7.664   1.247  -4.359
  113    H    CYS  16           H        CYS  16  -1.829  -1.299  -2.557
  114    HA   CYS  16           HA       CYS  16  -1.768   0.980  -0.937
  115   1HB   CYS  16          2HB       CYS  16  -0.052  -0.904  -1.243
  116   2HB   CYS  16          1HB       CYS  16   0.560   0.013  -2.620
  117    H    CYS  17           H        CYS  17  -1.149   3.180  -1.304
  118    HA   CYS  17           HA       CYS  17  -2.024   4.521  -3.575
  119   1HB   CYS  17          2HB       CYS  17   0.431   5.194  -1.914
  120   2HB   CYS  17          1HB       CYS  17  -0.564   6.334  -2.811
  121    H    ARG  18           H        ARG  18  -0.773   5.435  -5.439
  122    HA   ARG  18           HA       ARG  18   1.416   3.562  -6.260
  123   1HB   ARG  18          2HB       ARG  18   0.609   3.961  -8.533
  124   2HB   ARG  18          1HB       ARG  18  -0.745   3.493  -7.504
  125   1HG   ARG  18          2HG       ARG  18  -0.135   6.405  -7.715
  126   2HG   ARG  18          1HG       ARG  18  -0.873   5.629  -9.117
  127   1HD   ARG  18          2HD       ARG  18  -2.397   4.604  -7.068
  128   2HD   ARG  18          1HD       ARG  18  -2.062   6.248  -6.490
  129    HE   ARG  18           HE       ARG  18  -3.012   5.832  -9.290
  130   1HH1  ARG  18          1HH2      ARG  18  -4.177   6.345  -6.185
  131   2HH1  ARG  18          2HH2      ARG  18  -5.077   7.775  -6.566
  132   1HH2  ARG  18          1HH1      ARG  18  -3.794   8.043  -9.778
  133   2HH2  ARG  18          2HH1      ARG  18  -4.861   8.737  -8.603
  134    HA   PRO  19           HA       PRO  19   2.888   8.073  -6.568
  135   1HB   PRO  19          2HB       PRO  19   3.987   8.571  -4.119
  136   2HB   PRO  19          1HB       PRO  19   2.303   8.976  -4.506
  137   1HG   PRO  19          2HG       PRO  19   3.388   6.699  -2.945
  138   2HG   PRO  19          1HG       PRO  19   1.894   7.618  -2.716
  139   1HD   PRO  19          2HD       PRO  19   2.035   5.123  -3.876
  140   2HD   PRO  19          1HD       PRO  19   0.718   6.288  -4.124
  141    H    LYS  20           H        LYS  20   4.129   5.307  -4.771
  142    HA   LYS  20           HA       LYS  20   6.403   4.870  -6.422
  143   1HB   LYS  20          2HB       LYS  20   7.158   7.026  -5.598
  144   2HB   LYS  20          1HB       LYS  20   6.814   6.559  -3.934
  145   1HG   LYS  20          2HG       LYS  20   8.661   5.167  -3.798
  146   2HG   LYS  20          1HG       LYS  20   8.696   4.875  -5.538
  147   1HD   LYS  20          2HD       LYS  20   9.115   7.691  -4.731
  148   2HD   LYS  20          1HD       LYS  20  10.399   6.579  -4.260
  149   1HE   LYS  20          2HE       LYS  20  11.188   6.698  -6.382
  150   2HE   LYS  20          1HE       LYS  20   9.701   5.901  -6.929
  151   1HZ   LYS  20          1HZ       LYS  20   9.545   8.734  -6.224
  152   2HZ   LYS  20          2HZ       LYS  20   8.699   7.868  -7.414
  153   3HZ   LYS  20          3HZ       LYS  20  10.306   8.343  -7.687
  154    H    LEU  21           H        LEU  21   4.325   3.449  -4.769
  155    HA   LEU  21           HA       LEU  21   6.175   1.822  -3.051
  156   1HB   LEU  21          2HB       LEU  21   3.235   2.471  -2.749
  157   2HB   LEU  21          1HB       LEU  21   4.120   1.370  -1.698
  158    HG   LEU  21           HG       LEU  21   5.091   4.187  -2.149
  159   1HD1  LEU  21          1HD1      LEU  21   2.868   4.545  -1.354
  160   2HD1  LEU  21          2HD1      LEU  21   3.905   4.668   0.068
  161   3HD1  LEU  21          3HD1      LEU  21   2.979   3.196  -0.224
  162   1HD2  LEU  21          1HD2      LEU  21   6.366   2.169  -1.008
  163   2HD2  LEU  21          2HD2      LEU  21   5.330   2.560   0.364
  164   3HD2  LEU  21          3HD2      LEU  21   6.431   3.777  -0.284
  165    H    LYS  22           H        LYS  22   5.285  -0.458  -2.738
  166    HA   LYS  22           HA       LYS  22   3.570  -1.550  -4.806
  167   1HB   LYS  22          2HB       LYS  22   5.750  -1.181  -5.956
  168   2HB   LYS  22          1HB       LYS  22   6.532  -2.201  -4.748
  169   1HG   LYS  22          2HG       LYS  22   4.366  -3.725  -5.647
  170   2HG   LYS  22          1HG       LYS  22   5.014  -2.979  -7.108
  171   1HD   LYS  22          2HD       LYS  22   7.269  -3.782  -5.634
  172   2HD   LYS  22          1HD       LYS  22   6.130  -5.125  -5.508
  173   1HE   LYS  22          2HE       LYS  22   5.897  -5.206  -7.949
  174   2HE   LYS  22          1HE       LYS  22   6.972  -3.803  -8.114
  175   1HZ   LYS  22          1HZ       LYS  22   8.022  -6.118  -8.267
  176   2HZ   LYS  22          2HZ       LYS  22   7.799  -6.194  -6.584
  177   3HZ   LYS  22          3HZ       LYS  22   8.773  -4.977  -7.261
  178    H    CYS  23           H        CYS  23   2.750  -3.554  -4.134
  179    HA   CYS  23           HA       CYS  23   2.655  -4.406  -1.537
  180   1HB   CYS  23          2HB       CYS  23   1.359  -5.434  -3.330
  181   2HB   CYS  23          1HB       CYS  23   2.824  -6.061  -4.076
  182    H    SER  24           H        SER  24   3.873  -5.758  -0.177
  183    HA   SER  24           HA       SER  24   6.603  -6.549  -1.115
  184   1HB   SER  24          2HB       SER  24   5.678  -4.723   1.031
  185   2HB   SER  24          1HB       SER  24   6.981  -5.819   1.479
  186    HG   SER  24           HG       SER  24   8.286  -4.703   0.269
  187    H    LYS  25           H        LYS  25   6.654  -8.747  -0.884
  188    HA   LYS  25           HA       LYS  25   4.855 -10.279   0.733
  189   1HB   LYS  25          2HB       LYS  25   6.648 -10.708  -1.291
  190   2HB   LYS  25          1HB       LYS  25   7.505 -11.415   0.079
  191   1HG   LYS  25          2HG       LYS  25   4.650 -12.107   0.000
  192   2HG   LYS  25          1HG       LYS  25   5.559 -12.698  -1.392
  193   1HD   LYS  25          2HD       LYS  25   7.303 -13.364   0.532
  194   2HD   LYS  25          1HD       LYS  25   5.823 -13.416   1.490
  195   1HE   LYS  25          2HE       LYS  25   5.697 -14.729  -1.182
  196   2HE   LYS  25          1HE       LYS  25   6.668 -15.543   0.062
  197   1HZ   LYS  25          1HZ       LYS  25   3.996 -14.443   0.680
  198   2HZ   LYS  25          2HZ       LYS  25   4.879 -15.621   1.526
  199   3HZ   LYS  25          3HZ       LYS  25   4.163 -16.001   0.033
  200    H    LEU  26           H        LEU  26   7.636  -8.461   1.573
  201    HA   LEU  26           HA       LEU  26   8.983  -9.804   3.576
  202   1HB   LEU  26          2HB       LEU  26   8.442  -7.128   2.790
  203   2HB   LEU  26          1HB       LEU  26   8.196  -7.198   4.536
  204    HG   LEU  26           HG       LEU  26  10.606  -8.566   3.430
  205   1HD1  LEU  26          1HD1      LEU  26  10.706  -6.465   2.229
  206   2HD1  LEU  26          2HD1      LEU  26  11.848  -6.380   3.570
  207   3HD1  LEU  26          3HD1      LEU  26  10.290  -5.562   3.687
  208   1HD2  LEU  26          1HD2      LEU  26   9.789  -8.401   5.897
  209   2HD2  LEU  26          2HD2      LEU  26  10.392  -6.745   5.823
  210   3HD2  LEU  26          3HD2      LEU  26  11.493  -8.098   5.563
  211    H    PHE  27           H        PHE  27   5.881  -8.074   4.015
  212    HA   PHE  27           HA       PHE  27   5.227  -9.954   6.245
  213   1HB   PHE  27          2HB       PHE  27   5.293  -6.936   6.230
  214   2HB   PHE  27          1HB       PHE  27   4.331  -7.837   7.403
  215    HD1  PHE  27           1HD      PHE  27   7.694  -6.885   6.353
  216    HD2  PHE  27           2HD      PHE  27   5.426  -9.395   8.997
  217    HE1  PHE  27           1HE      PHE  27   9.727  -7.295   7.704
  218    HE2  PHE  27           2HE      PHE  27   7.457  -9.805  10.350
  219    HZ   PHE  27           HZ       PHE  27   9.614  -8.754   9.707
  220    H    LYS  28           H        LYS  28   4.376  -9.038   3.307
  221    HA   LYS  28           HA       LYS  28   2.332  -9.364   2.140
  222   1HB   LYS  28          2HB       LYS  28   0.896  -9.329   4.794
  223   2HB   LYS  28          1HB       LYS  28   0.461 -10.188   3.319
  224   1HG   LYS  28          2HG       LYS  28   3.027 -11.133   4.016
  225   2HG   LYS  28          1HG       LYS  28   2.108 -11.086   5.521
  226   1HD   LYS  28          2HD       LYS  28   1.179 -12.400   2.948
  227   2HD   LYS  28          1HD       LYS  28   1.818 -13.252   4.353
  228   1HE   LYS  28          2HE       LYS  28  -0.103 -11.795   5.578
  229   2HE   LYS  28          1HE       LYS  28  -0.843 -11.977   3.975
  230   1HZ   LYS  28          1HZ       LYS  28  -1.421 -13.911   5.173
  231   2HZ   LYS  28          2HZ       LYS  28   0.156 -14.116   5.771
  232   3HZ   LYS  28          3HZ       LYS  28  -0.174 -14.384   4.126
  233    H    LEU  29           H        LEU  29   3.526  -6.774   3.177
  234    HA   LEU  29           HA       LEU  29   1.034  -5.109   2.944
  235   1HB   LEU  29          2HB       LEU  29   3.583  -4.641   4.529
  236   2HB   LEU  29          1HB       LEU  29   2.327  -3.428   4.311
  237    HG   LEU  29           HG       LEU  29   0.725  -5.311   5.188
  238   1HD1  LEU  29          1HD1      LEU  29   1.647  -7.138   6.144
  239   2HD1  LEU  29          2HD1      LEU  29   2.914  -6.193   6.927
  240   3HD1  LEU  29          3HD1      LEU  29   3.106  -6.710   5.252
  241   1HD2  LEU  29          1HD2      LEU  29   0.742  -3.545   6.641
  242   2HD2  LEU  29          2HD2      LEU  29   2.500  -3.402   6.601
  243   3HD2  LEU  29          3HD2      LEU  29   1.738  -4.626   7.617
  244    H    CYS  30           H        CYS  30   1.775  -2.779   2.154
  245    HA   CYS  30           HA       CYS  30   3.395  -3.242  -0.281
  246   1HB   CYS  30          2HB       CYS  30   2.173  -1.432  -1.130
  247   2HB   CYS  30          1HB       CYS  30   1.016  -2.229  -0.081
  248    H    ASN  31           H        ASN  31   5.323  -2.166  -0.665
  249    HA   ASN  31           HA       ASN  31   6.127   0.113   1.015
  250   1HB   ASN  31          2HB       ASN  31   6.666  -1.640   2.529
  251   2HB   ASN  31          1HB       ASN  31   7.335  -2.638   1.245
  252   1HD2  ASN  31          1HD2      ASN  31   8.006   0.063   3.401
  253   2HD2  ASN  31          2HD2      ASN  31   9.647   0.214   2.995
  254    H    PHE  32           H        PHE  32   8.372   0.785   0.444
  255    HA   PHE  32           HA       PHE  32   9.802  -0.134  -1.832
  256   1HB   PHE  32          2HB       PHE  32   7.548   0.573  -2.824
  257   2HB   PHE  32          1HB       PHE  32   8.012   2.227  -2.429
  258    HD1  PHE  32           1HD      PHE  32   8.127  -0.258  -4.912
  259    HD2  PHE  32           2HD      PHE  32  10.477   2.883  -3.171
  260    HE1  PHE  32           1HE      PHE  32   9.508  -0.154  -6.974
  261    HE2  PHE  32           2HE      PHE  32  11.860   2.993  -5.231
  262    HZ   PHE  32           HZ       PHE  32  11.375   1.473  -7.131
  263    H    SER  33           H        SER  33   8.700   3.137  -0.965
  264    HA   SER  33           HA       SER  33  11.272   4.361  -1.069
  265   1HB   SER  33          2HB       SER  33  10.107   6.234  -0.217
  266   2HB   SER  33          1HB       SER  33   8.844   5.302  -1.017
  267    HG   SER  33           HG       SER  33   9.416   5.594   1.722
  268    H    PHE  34           H        PHE  34  11.483   5.696   1.425
  269    HA   PHE  34           HA       PHE  34  12.849   3.640   3.008
  270   1HB   PHE  34          2HB       PHE  34  12.953   6.444   2.562
  271   2HB   PHE  34          1HB       PHE  34  12.633   6.216   4.281
  272    HD1  PHE  34           1HD      PHE  34  14.865   5.061   1.505
  273    HD2  PHE  34           2HD      PHE  34  14.361   5.589   5.754
  274    HE1  PHE  34           1HE      PHE  34  17.243   4.422   1.866
  275    HE2  PHE  34           2HE      PHE  34  16.741   4.953   6.116
  276    HZ   PHE  34           HZ       PHE  34  18.182   4.368   4.171
  277   1HN   NH2  35          1HN       NH2  35  11.692   5.973   5.218
  278   2HN   NH2  35          2HN       NH2  35  10.320   5.061   5.901
  Start of MODEL   14
    1   1H    GLY   1          1HT       GLY   1  -8.299   7.838  -0.855
    2   2H    GLY   1          2HT       GLY   1  -7.248   6.793  -0.024
    3   3H    GLY   1          3HT       GLY   1  -8.899   6.841   0.379
    4   1HA   GLY   1          2HA       GLY   1  -9.512   5.508  -1.301
    5   2HA   GLY   1          1HA       GLY   1  -8.323   6.222  -2.393
    6    H    CYS   2           H        CYS   2  -6.197   5.373  -2.420
    7    HA   CYS   2           HA       CYS   2  -5.864   2.607  -2.005
    8   1HB   CYS   2          2HB       CYS   2  -3.390   3.268  -2.117
    9   2HB   CYS   2          1HB       CYS   2  -4.397   3.824  -3.449
   10    H    LEU   3           H        LEU   3  -3.703   2.027  -0.511
   11    HA   LEU   3           HA       LEU   3  -4.643   2.509   2.265
   12   1HB   LEU   3          2HB       LEU   3  -2.723   0.595   0.917
   13   2HB   LEU   3          1HB       LEU   3  -2.964   0.627   2.656
   14    HG   LEU   3           HG       LEU   3  -5.511   0.587   1.274
   15   1HD1  LEU   3          1HD1      LEU   3  -4.298  -0.591  -0.491
   16   2HD1  LEU   3          2HD1      LEU   3  -5.290  -1.744   0.402
   17   3HD1  LEU   3          3HD1      LEU   3  -3.553  -1.659   0.699
   18   1HD2  LEU   3          1HD2      LEU   3  -5.508  -0.069   3.529
   19   2HD2  LEU   3          2HD2      LEU   3  -4.047  -1.038   3.344
   20   3HD2  LEU   3          3HD2      LEU   3  -5.577  -1.618   2.689
   21    H    GLU   4           H        GLU   4  -1.974   1.948   3.397
   22    HA   GLU   4           HA       GLU   4  -0.820   4.670   3.072
   23   1HB   GLU   4          2HB       GLU   4  -1.374   2.914   5.215
   24   2HB   GLU   4          1HB       GLU   4   0.384   3.023   5.114
   25   1HG   GLU   4          2HG       GLU   4  -0.372   5.640   4.740
   26   2HG   GLU   4          1HG       GLU   4  -1.578   5.074   5.896
   27    H    PHE   5           H        PHE   5   1.760   4.237   3.873
   28    HA   PHE   5           HA       PHE   5   2.980   3.154   1.452
   29   1HB   PHE   5          2HB       PHE   5   4.331   4.856   2.081
   30   2HB   PHE   5          1HB       PHE   5   3.564   4.931   3.663
   31    HD1  PHE   5           1HD      PHE   5   4.381   3.394   5.508
   32    HD2  PHE   5           2HD      PHE   5   6.479   3.881   1.792
   33    HE1  PHE   5           1HE      PHE   5   6.429   2.448   6.539
   34    HE2  PHE   5           2HE      PHE   5   8.525   2.934   2.821
   35    HZ   PHE   5           HZ       PHE   5   8.500   2.217   5.197
   36    H    TRP   6           H        TRP   6   1.856   1.603   4.174
   37    HA   TRP   6           HA       TRP   6   3.546  -0.756   3.644
   38   1HB   TRP   6          2HB       TRP   6   4.851   0.783   5.162
   39   2HB   TRP   6          1HB       TRP   6   3.564   0.619   6.356
   40    HD1  TRP   6           HD       TRP   6   3.904  -1.242   8.039
   41    HE1  TRP   6           1HE      TRP   6   5.268  -3.428   8.132
   42    HE3  TRP   6           3HE      TRP   6   5.883  -1.246   3.332
   43    HZ2  TRP   6           2HZ      TRP   6   6.975  -4.974   6.433
   44    HZ3  TRP   6           3HZ      TRP   6   7.373  -3.084   2.596
   45    HH2  TRP   6           HH       TRP   6   7.922  -4.945   4.139
   46    H    TRP   7           H        TRP   7   0.862  -0.695   3.268
   47    HA   TRP   7           HA       TRP   7  -0.314  -1.977   5.713
   48   1HB   TRP   7          2HB       TRP   7  -1.345  -0.231   3.499
   49   2HB   TRP   7          1HB       TRP   7  -2.458  -1.356   4.277
   50    HD1  TRP   7           HD       TRP   7   0.075  -0.367   6.713
   51    HE1  TRP   7           1HE      TRP   7  -0.830   1.451   8.306
   52    HE3  TRP   7           3HE      TRP   7  -4.119   1.019   4.158
   53    HZ2  TRP   7           2HZ      TRP   7  -3.047   3.254   8.469
   54    HZ3  TRP   7           3HZ      TRP   7  -5.609   2.789   5.054
   55    HH2  TRP   7           HH       TRP   7  -5.077   3.907   7.203
   56    H    LYS   8           H        LYS   8  -1.823  -3.826   5.193
   57    HA   LYS   8           HA       LYS   8  -0.741  -5.900   3.741
   58   1HB   LYS   8          2HB       LYS   8  -3.347  -6.400   3.288
   59   2HB   LYS   8          1HB       LYS   8  -2.617  -6.582   4.873
   60   1HG   LYS   8          2HG       LYS   8  -3.694  -4.739   5.721
   61   2HG   LYS   8          1HG       LYS   8  -3.612  -3.865   4.190
   62   1HD   LYS   8          2HD       LYS   8  -5.434  -6.238   4.680
   63   2HD   LYS   8          1HD       LYS   8  -5.946  -4.557   4.845
   64   1HE   LYS   8          2HE       LYS   8  -5.053  -4.249   2.428
   65   2HE   LYS   8          1HE       LYS   8  -5.101  -6.022   2.341
   66   1HZ   LYS   8          1HZ       LYS   8  -7.295  -4.120   2.583
   67   2HZ   LYS   8          2HZ       LYS   8  -7.430  -5.538   3.508
   68   3HZ   LYS   8          3HZ       LYS   8  -7.255  -5.635   1.821
   69    H    CYS   9           H        CYS   9  -1.145  -6.755   1.576
   70    HA   CYS   9           HA       CYS   9  -2.366  -4.961  -0.422
   71   1HB   CYS   9          2HB       CYS   9  -0.202  -4.663  -1.619
   72   2HB   CYS   9          1HB       CYS   9  -0.171  -3.951  -0.006
   73    H    ASN  10           H        ASN  10  -1.568  -5.896  -2.722
   74    HA   ASN  10           HA       ASN  10  -1.218  -8.825  -2.716
   75   1HB   ASN  10          2HB       ASN  10  -3.769  -7.651  -2.627
   76   2HB   ASN  10          1HB       ASN  10  -3.537  -8.089  -4.321
   77   1HD2  ASN  10          1HD2      ASN  10  -5.437  -9.493  -2.723
   78   2HD2  ASN  10          2HD2      ASN  10  -4.881 -11.078  -2.484
   79    HA   PRO  11           HA       PRO  11   0.968  -7.284  -6.291
   80   1HB   PRO  11          2HB       PRO  11   1.788  -9.753  -7.185
   81   2HB   PRO  11          1HB       PRO  11   2.582  -8.880  -5.857
   82   1HG   PRO  11          2HG       PRO  11   0.540 -11.060  -5.726
   83   2HG   PRO  11          1HG       PRO  11   2.026 -10.852  -4.780
   84   1HD   PRO  11          2HD       PRO  11  -0.365 -10.207  -3.760
   85   2HD   PRO  11          1HD       PRO  11   1.083  -9.238  -3.401
   86    H    ASN  12           H        ASN  12  -1.722  -9.447  -6.185
   87    HA   ASN  12           HA       ASN  12  -2.062  -9.585  -9.113
   88   1HB   ASN  12          2HB       ASN  12  -2.692 -11.294  -7.212
   89   2HB   ASN  12          1HB       ASN  12  -4.130 -10.289  -7.038
   90   1HD2  ASN  12          1HD2      ASN  12  -5.165 -12.444  -7.843
   91   2HD2  ASN  12          2HD2      ASN  12  -5.299 -12.641  -9.523
   92    H    ASP  13           H        ASP  13  -3.079  -7.637  -6.414
   93    HA   ASP  13           HA       ASP  13  -4.505  -5.798  -8.260
   94   1HB   ASP  13          2HB       ASP  13  -5.652  -7.402  -5.999
   95   2HB   ASP  13          1HB       ASP  13  -6.292  -5.784  -6.289
   96    H    ASP  14           H        ASP  14  -2.050  -5.265  -7.239
   97    HA   ASP  14           HA       ASP  14  -1.542  -4.246  -4.748
   98   1HB   ASP  14          2HB       ASP  14  -1.010  -2.846  -7.389
   99   2HB   ASP  14          1HB       ASP  14  -0.080  -2.643  -5.903
  100    H    LYS  15           H        LYS  15  -2.869  -3.035  -3.445
  101    HA   LYS  15           HA       LYS  15  -4.605  -0.955  -4.698
  102   1HB   LYS  15          2HB       LYS  15  -5.355  -2.880  -3.105
  103   2HB   LYS  15          1HB       LYS  15  -4.656  -1.881  -1.830
  104   1HG   LYS  15          2HG       LYS  15  -6.843  -1.092  -1.843
  105   2HG   LYS  15          1HG       LYS  15  -6.081   0.030  -2.971
  106   1HD   LYS  15          2HD       LYS  15  -6.826  -2.227  -4.501
  107   2HD   LYS  15          1HD       LYS  15  -8.206  -1.860  -3.465
  108   1HE   LYS  15          2HE       LYS  15  -6.895   0.484  -4.747
  109   2HE   LYS  15          1HE       LYS  15  -7.803  -0.596  -5.824
  110   1HZ   LYS  15          1HZ       LYS  15  -8.838   0.436  -3.240
  111   2HZ   LYS  15          2HZ       LYS  15  -9.697  -0.461  -4.398
  112   3HZ   LYS  15          3HZ       LYS  15  -9.202   1.126  -4.745
  113    H    CYS  16           H        CYS  16  -1.859  -1.381  -2.552
  114    HA   CYS  16           HA       CYS  16  -1.822   0.942  -1.019
  115   1HB   CYS  16          2HB       CYS  16  -0.097  -0.891  -1.109
  116   2HB   CYS  16          1HB       CYS  16   0.509  -0.187  -2.609
  117    H    CYS  17           H        CYS  17  -1.329   3.124  -1.409
  118    HA   CYS  17           HA       CYS  17  -2.059   4.408  -3.757
  119   1HB   CYS  17          2HB       CYS  17   0.213   5.157  -1.883
  120   2HB   CYS  17          1HB       CYS  17  -0.712   6.272  -2.885
  121    H    ARG  18           H        ARG  18  -0.650   5.402  -5.498
  122    HA   ARG  18           HA       ARG  18   1.633   3.564  -6.137
  123   1HB   ARG  18          2HB       ARG  18   0.530   5.109  -8.363
  124   2HB   ARG  18          1HB       ARG  18   0.777   3.373  -8.223
  125   1HG   ARG  18          2HG       ARG  18  -1.551   4.884  -7.002
  126   2HG   ARG  18          1HG       ARG  18  -1.620   3.984  -8.513
  127   1HD   ARG  18          2HD       ARG  18  -0.571   2.543  -6.109
  128   2HD   ARG  18          1HD       ARG  18  -2.321   2.826  -6.211
  129    HE   ARG  18           HE       ARG  18  -0.759   1.101  -7.995
  130   1HH1  ARG  18          1HH2      ARG  18  -3.751   1.267  -6.838
  131   2HH1  ARG  18          2HH2      ARG  18  -4.603   1.218  -8.346
  132   1HH2  ARG  18          1HH1      ARG  18  -1.776   1.798 -10.266
  133   2HH2  ARG  18          2HH1      ARG  18  -3.486   1.518 -10.285
  134    HA   PRO  19           HA       PRO  19   3.034   8.090  -6.270
  135   1HB   PRO  19          2HB       PRO  19   3.951   8.560  -3.736
  136   2HB   PRO  19          1HB       PRO  19   2.290   8.939  -4.235
  137   1HG   PRO  19          2HG       PRO  19   3.311   6.663  -2.635
  138   2HG   PRO  19          1HG       PRO  19   1.777   7.533  -2.514
  139   1HD   PRO  19          2HD       PRO  19   2.103   5.059  -3.704
  140   2HD   PRO  19          1HD       PRO  19   0.756   6.176  -4.010
  141    H    LYS  20           H        LYS  20   4.172   5.227  -4.617
  142    HA   LYS  20           HA       LYS  20   6.564   4.880  -6.053
  143   1HB   LYS  20          2HB       LYS  20   6.607   7.060  -4.160
  144   2HB   LYS  20          1HB       LYS  20   7.765   5.827  -3.657
  145   1HG   LYS  20          2HG       LYS  20   8.345   5.856  -6.268
  146   2HG   LYS  20          1HG       LYS  20   7.734   7.506  -6.123
  147   1HD   LYS  20          2HD       LYS  20   9.312   7.948  -4.292
  148   2HD   LYS  20          1HD       LYS  20   9.905   6.289  -4.390
  149   1HE   LYS  20          2HE       LYS  20   9.964   7.556  -7.008
  150   2HE   LYS  20          1HE       LYS  20  10.910   8.478  -5.823
  151   1HZ   LYS  20          1HZ       LYS  20  12.146   6.596  -6.862
  152   2HZ   LYS  20          2HZ       LYS  20  11.057   5.527  -6.115
  153   3HZ   LYS  20          3HZ       LYS  20  12.064   6.517  -5.169
  154    H    LEU  21           H        LEU  21   4.616   3.197  -4.918
  155    HA   LEU  21           HA       LEU  21   6.267   1.609  -2.983
  156   1HB   LEU  21          2HB       LEU  21   3.350   2.422  -2.768
  157   2HB   LEU  21          1HB       LEU  21   4.132   1.276  -1.690
  158    HG   LEU  21           HG       LEU  21   5.803   3.572  -1.797
  159   1HD1  LEU  21          1HD1      LEU  21   3.753   4.742  -2.645
  160   2HD1  LEU  21          2HD1      LEU  21   4.301   5.347  -1.082
  161   3HD1  LEU  21          3HD1      LEU  21   2.917   4.258  -1.169
  162   1HD2  LEU  21          1HD2      LEU  21   4.731   3.726   0.640
  163   2HD2  LEU  21          2HD2      LEU  21   5.829   2.415   0.210
  164   3HD2  LEU  21          3HD2      LEU  21   4.086   2.144   0.197
  165    H    LYS  22           H        LYS  22   5.276  -0.615  -2.736
  166    HA   LYS  22           HA       LYS  22   3.515  -1.616  -4.808
  167   1HB   LYS  22          2HB       LYS  22   6.077  -1.266  -5.589
  168   2HB   LYS  22          1HB       LYS  22   6.217  -2.866  -4.858
  169   1HG   LYS  22          2HG       LYS  22   5.683  -3.041  -7.260
  170   2HG   LYS  22          1HG       LYS  22   4.371  -3.684  -6.273
  171   1HD   LYS  22          2HD       LYS  22   3.916  -0.883  -6.619
  172   2HD   LYS  22          1HD       LYS  22   4.254  -1.581  -8.204
  173   1HE   LYS  22          2HE       LYS  22   2.589  -3.482  -7.322
  174   2HE   LYS  22          1HE       LYS  22   1.979  -2.133  -6.343
  175   1HZ   LYS  22          1HZ       LYS  22   0.881  -2.094  -8.464
  176   2HZ   LYS  22          2HZ       LYS  22   2.365  -2.159  -9.289
  177   3HZ   LYS  22          3HZ       LYS  22   1.949  -0.778  -8.391
  178    H    CYS  23           H        CYS  23   2.621  -3.600  -4.122
  179    HA   CYS  23           HA       CYS  23   2.645  -4.394  -1.471
  180   1HB   CYS  23          2HB       CYS  23   1.192  -5.229  -3.369
  181   2HB   CYS  23          1HB       CYS  23   2.527  -6.271  -3.856
  182    H    SER  24           H        SER  24   3.740  -6.120  -0.319
  183    HA   SER  24           HA       SER  24   6.350  -7.005  -1.475
  184   1HB   SER  24          2HB       SER  24   5.880  -5.025   0.551
  185   2HB   SER  24          1HB       SER  24   6.676  -6.407   1.293
  186    HG   SER  24           HG       SER  24   8.071  -6.236  -0.718
  187    H    LYS  25           H        LYS  25   6.297  -9.198  -1.345
  188    HA   LYS  25           HA       LYS  25   4.500 -10.727   0.269
  189   1HB   LYS  25          2HB       LYS  25   6.483 -11.069  -1.742
  190   2HB   LYS  25          1HB       LYS  25   6.899 -12.160  -0.419
  191   1HG   LYS  25          2HG       LYS  25   4.140 -12.426  -0.637
  192   2HG   LYS  25          1HG       LYS  25   4.681 -12.309  -2.312
  193   1HD   LYS  25          2HD       LYS  25   6.255 -14.125  -1.994
  194   2HD   LYS  25          1HD       LYS  25   5.907 -14.177  -0.266
  195   1HE   LYS  25          2HE       LYS  25   4.041 -15.436  -0.585
  196   2HE   LYS  25          1HE       LYS  25   3.492 -14.413  -1.929
  197   1HZ   LYS  25          1HZ       LYS  25   4.894 -15.498  -3.428
  198   2HZ   LYS  25          2HZ       LYS  25   4.249 -16.767  -2.499
  199   3HZ   LYS  25          3HZ       LYS  25   5.826 -16.209  -2.203
  200    H    LEU  26           H        LEU  26   7.662  -9.369   0.912
  201    HA   LEU  26           HA       LEU  26   8.714 -10.953   2.938
  202   1HB   LEU  26          2HB       LEU  26   8.612  -8.045   2.292
  203   2HB   LEU  26          1HB       LEU  26   9.210  -8.477   3.892
  204    HG   LEU  26           HG       LEU  26  11.033  -8.343   2.198
  205   1HD1  LEU  26          1HD1      LEU  26  12.091  -9.911   3.419
  206   2HD1  LEU  26          2HD1      LEU  26  11.148 -11.199   2.670
  207   3HD1  LEU  26          3HD1      LEU  26  10.525 -10.363   4.092
  208   1HD2  LEU  26          1HD2      LEU  26  11.117  -9.771   0.327
  209   2HD2  LEU  26          2HD2      LEU  26   9.425  -9.279   0.371
  210   3HD2  LEU  26          3HD2      LEU  26   9.900 -10.862   0.990
  211    H    PHE  27           H        PHE  27   6.064  -8.584   3.213
  212    HA   PHE  27           HA       PHE  27   5.267  -9.901   5.775
  213   1HB   PHE  27          2HB       PHE  27   5.975  -7.040   5.220
  214   2HB   PHE  27          1HB       PHE  27   4.730  -7.398   6.418
  215    HD1  PHE  27           1HD      PHE  27   5.324  -8.058   8.595
  216    HD2  PHE  27           2HD      PHE  27   8.230  -8.275   5.446
  217    HE1  PHE  27           1HE      PHE  27   7.074  -8.629  10.249
  218    HE2  PHE  27           2HE      PHE  27   9.986  -8.849   7.098
  219    HZ   PHE  27           HZ       PHE  27   9.406  -9.027   9.506
  220    H    LYS  28           H        LYS  28   4.365  -9.302   2.736
  221    HA   LYS  28           HA       LYS  28   2.231  -9.274   1.700
  222   1HB   LYS  28          2HB       LYS  28   0.910  -9.189   4.392
  223   2HB   LYS  28          1HB       LYS  28   0.485 -10.142   2.973
  224   1HG   LYS  28          2HG       LYS  28   2.955 -11.162   3.594
  225   2HG   LYS  28          1HG       LYS  28   2.314 -10.788   5.194
  226   1HD   LYS  28          2HD       LYS  28   0.153 -11.962   4.387
  227   2HD   LYS  28          1HD       LYS  28   1.156 -12.619   3.094
  228   1HE   LYS  28          2HE       LYS  28   2.597 -12.952   5.541
  229   2HE   LYS  28          1HE       LYS  28   0.948 -13.560   5.788
  230   1HZ   LYS  28          1HZ       LYS  28   2.287 -14.144   3.247
  231   2HZ   LYS  28          2HZ       LYS  28   1.137 -15.061   4.098
  232   3HZ   LYS  28          3HZ       LYS  28   2.756 -15.035   4.612
  233    H    LEU  29           H        LEU  29   3.702  -6.842   2.828
  234    HA   LEU  29           HA       LEU  29   1.332  -4.990   2.922
  235   1HB   LEU  29          2HB       LEU  29   4.019  -4.267   4.061
  236   2HB   LEU  29          1HB       LEU  29   2.416  -3.756   4.581
  237    HG   LEU  29           HG       LEU  29   3.480  -6.574   4.911
  238   1HD1  LEU  29          1HD1      LEU  29   3.586  -4.139   6.653
  239   2HD1  LEU  29          2HD1      LEU  29   4.781  -5.419   6.446
  240   3HD1  LEU  29          3HD1      LEU  29   3.336  -5.710   7.416
  241   1HD2  LEU  29          1HD2      LEU  29   1.095  -6.603   4.864
  242   2HD2  LEU  29          2HD2      LEU  29   0.984  -5.114   5.802
  243   3HD2  LEU  29          3HD2      LEU  29   1.523  -6.604   6.575
  244    H    CYS  30           H        CYS  30   1.968  -2.733   2.074
  245    HA   CYS  30           HA       CYS  30   3.494  -3.127  -0.425
  246   1HB   CYS  30          2HB       CYS  30   2.155  -1.430  -1.232
  247   2HB   CYS  30          1HB       CYS  30   1.110  -2.066   0.024
  248    H    ASN  31           H        ASN  31   5.537  -2.408  -0.651
  249    HA   ASN  31           HA       ASN  31   6.690  -0.670   1.485
  250   1HB   ASN  31          2HB       ASN  31   7.540  -2.994   0.482
  251   2HB   ASN  31          1HB       ASN  31   8.286  -1.931  -0.708
  252   1HD2  ASN  31          1HD2      ASN  31   8.376   0.197   1.611
  253   2HD2  ASN  31          2HD2      ASN  31   9.766  -0.253   2.476
  254    H    PHE  32           H        PHE  32   8.894   0.189  -0.241
  255    HA   PHE  32           HA       PHE  32   7.492   2.406  -1.665
  256   1HB   PHE  32          2HB       PHE  32   9.675   2.176   0.061
  257   2HB   PHE  32          1HB       PHE  32  10.406   2.461  -1.515
  258    HD1  PHE  32           1HD      PHE  32   7.247   3.663   0.117
  259    HD2  PHE  32           2HD      PHE  32  10.951   4.709  -1.787
  260    HE1  PHE  32           1HE      PHE  32   6.642   6.064   0.259
  261    HE2  PHE  32           2HE      PHE  32  10.347   7.110  -1.645
  262    HZ   PHE  32           HZ       PHE  32   8.192   7.788  -0.621
  263    H    SER  33           H        SER  33   9.120  -0.515  -2.277
  264    HA   SER  33           HA       SER  33   9.331   0.141  -5.178
  265   1HB   SER  33          2HB       SER  33  11.548  -1.383  -4.712
  266   2HB   SER  33          1HB       SER  33  11.551   0.378  -4.718
  267    HG   SER  33           HG       SER  33  11.266   0.339  -2.487
  268    H    PHE  34           H        PHE  34  10.515  -2.688  -3.414
  269    HA   PHE  34           HA       PHE  34   8.596  -4.377  -4.968
  270   1HB   PHE  34          2HB       PHE  34  11.392  -4.588  -3.982
  271   2HB   PHE  34          1HB       PHE  34  10.451  -6.080  -3.950
  272    HD1  PHE  34           1HD      PHE  34  10.806  -7.417  -5.819
  273    HD2  PHE  34           2HD      PHE  34  10.696  -3.128  -6.273
  274    HE1  PHE  34           1HE      PHE  34  11.126  -7.668  -8.275
  275    HE2  PHE  34           2HE      PHE  34  11.016  -3.380  -8.729
  276    HZ   PHE  34           HZ       PHE  34  11.229  -5.650  -9.730
  277   1HN   NH2  35          1HN       NH2  35   7.143  -3.270  -2.921
  278   2HN   NH2  35          2HN       NH2  35   7.005  -4.388  -1.537
  Start of MODEL   15
    1   1H    GLY   1          1HT       GLY   1  -9.405   7.716   0.455
    2   2H    GLY   1          2HT       GLY   1  -8.012   8.391   1.155
    3   3H    GLY   1          3HT       GLY   1  -8.307   6.722   1.279
    4   1HA   GLY   1          2HA       GLY   1  -8.342   7.345  -1.434
    5   2HA   GLY   1          1HA       GLY   1  -6.914   8.107  -0.730
    6    H    CYS   2           H        CYS   2  -5.696   6.462  -1.999
    7    HA   CYS   2           HA       CYS   2  -5.858   3.686  -1.793
    8   1HB   CYS   2          2HB       CYS   2  -3.292   3.874  -2.034
    9   2HB   CYS   2          1HB       CYS   2  -4.272   4.670  -3.259
   10    H    LEU   3           H        LEU   3  -3.957   2.416  -0.551
   11    HA   LEU   3           HA       LEU   3  -4.581   2.645   2.292
   12   1HB   LEU   3          2HB       LEU   3  -2.806   0.901   0.570
   13   2HB   LEU   3          1HB       LEU   3  -2.910   0.696   2.319
   14    HG   LEU   3           HG       LEU   3  -5.519   0.724   1.822
   15   1HD1  LEU   3          1HD1      LEU   3  -5.380   1.164  -0.552
   16   2HD1  LEU   3          2HD1      LEU   3  -5.929  -0.500  -0.344
   17   3HD1  LEU   3          3HD1      LEU   3  -4.252  -0.174  -0.781
   18   1HD2  LEU   3          1HD2      LEU   3  -4.743  -1.892   1.023
   19   2HD2  LEU   3          2HD2      LEU   3  -5.183  -1.348   2.643
   20   3HD2  LEU   3          3HD2      LEU   3  -3.498  -1.302   2.124
   21    H    GLU   4           H        GLU   4  -2.155   1.985   3.491
   22    HA   GLU   4           HA       GLU   4  -0.763   4.597   3.443
   23   1HB   GLU   4          2HB       GLU   4  -1.301   2.405   5.282
   24   2HB   GLU   4          1HB       GLU   4   0.400   2.868   5.318
   25   1HG   GLU   4          2HG       GLU   4  -0.893   5.311   5.261
   26   2HG   GLU   4          1HG       GLU   4  -1.951   4.334   6.279
   27    H    PHE   5           H        PHE   5   1.783   3.987   4.130
   28    HA   PHE   5           HA       PHE   5   2.905   2.920   1.635
   29   1HB   PHE   5          2HB       PHE   5   4.270   4.628   2.266
   30   2HB   PHE   5          1HB       PHE   5   3.658   4.599   3.915
   31    HD1  PHE   5           1HD      PHE   5   4.551   2.775   5.497
   32    HD2  PHE   5           2HD      PHE   5   6.411   3.776   1.757
   33    HE1  PHE   5           1HE      PHE   5   6.657   1.710   6.259
   34    HE2  PHE   5           2HE      PHE   5   8.516   2.710   2.519
   35    HZ   PHE   5           HZ       PHE   5   8.639   1.677   4.770
   36    H    TRP   6           H        TRP   6   1.647   1.357   4.200
   37    HA   TRP   6           HA       TRP   6   3.312  -1.026   3.768
   38   1HB   TRP   6          2HB       TRP   6   4.533   0.460   5.410
   39   2HB   TRP   6          1HB       TRP   6   3.162   0.285   6.504
   40    HD1  TRP   6           HD       TRP   6   3.271  -1.677   8.109
   41    HE1  TRP   6           1HE      TRP   6   4.627  -3.866   8.260
   42    HE3  TRP   6           3HE      TRP   6   5.782  -1.462   3.671
   43    HZ2  TRP   6           2HZ      TRP   6   6.527  -5.331   6.700
   44    HZ3  TRP   6           3HZ      TRP   6   7.360  -3.265   3.028
   45    HH2  TRP   6           HH       TRP   6   7.734  -5.198   4.537
   46    H    TRP   7           H        TRP   7   0.659  -0.877   3.186
   47    HA   TRP   7           HA       TRP   7  -0.751  -2.130   5.520
   48   1HB   TRP   7          2HB       TRP   7  -1.528  -0.385   3.209
   49   2HB   TRP   7          1HB       TRP   7  -2.733  -1.508   3.839
   50    HD1  TRP   7           HD       TRP   7  -0.432  -0.493   6.518
   51    HE1  TRP   7           1HE      TRP   7  -1.516   1.293   8.031
   52    HE3  TRP   7           3HE      TRP   7  -4.446   0.788   3.634
   53    HZ2  TRP   7           2HZ      TRP   7  -3.785   3.036   8.017
   54    HZ3  TRP   7           3HZ      TRP   7  -6.050   2.512   4.405
   55    HH2  TRP   7           HH       TRP   7  -5.726   3.637   6.590
   56    H    LYS   8           H        LYS   8  -2.235  -3.962   4.894
   57    HA   LYS   8           HA       LYS   8  -1.072  -6.112   3.657
   58   1HB   LYS   8          2HB       LYS   8  -3.633  -6.507   2.855
   59   2HB   LYS   8          1HB       LYS   8  -3.097  -6.728   4.511
   60   1HG   LYS   8          2HG       LYS   8  -3.959  -4.617   5.182
   61   2HG   LYS   8          1HG       LYS   8  -4.101  -4.057   3.516
   62   1HD   LYS   8          2HD       LYS   8  -6.308  -4.622   3.937
   63   2HD   LYS   8          1HD       LYS   8  -5.713  -6.160   3.309
   64   1HE   LYS   8          2HE       LYS   8  -5.101  -6.157   6.078
   65   2HE   LYS   8          1HE       LYS   8  -6.780  -5.601   5.928
   66   1HZ   LYS   8          1HZ       LYS   8  -6.351  -8.114   5.904
   67   2HZ   LYS   8          2HZ       LYS   8  -5.775  -7.869   4.325
   68   3HZ   LYS   8          3HZ       LYS   8  -7.381  -7.475   4.718
   69    H    CYS   9           H        CYS   9  -1.013  -6.986   1.536
   70    HA   CYS   9           HA       CYS   9  -2.004  -5.374  -0.730
   71   1HB   CYS   9          2HB       CYS   9   0.195  -4.793  -1.539
   72   2HB   CYS   9          1HB       CYS   9   0.124  -4.319   0.159
   73    H    ASN  10           H        ASN  10  -1.360  -6.418  -2.846
   74    HA   ASN  10           HA       ASN  10  -0.543  -9.260  -2.638
   75   1HB   ASN  10          2HB       ASN  10  -2.602  -9.539  -4.301
   76   2HB   ASN  10          1HB       ASN  10  -2.836  -9.613  -2.559
   77   1HD2  ASN  10          1HD2      ASN  10  -2.516  -6.925  -4.963
   78   2HD2  ASN  10          2HD2      ASN  10  -3.884  -6.085  -4.415
   79    HA   PRO  11           HA       PRO  11   1.687  -7.685  -6.187
   80   1HB   PRO  11          2HB       PRO  11   2.888 -10.076  -6.818
   81   2HB   PRO  11          1HB       PRO  11   3.460  -9.007  -5.519
   82   1HG   PRO  11          2HG       PRO  11   1.721 -11.432  -5.340
   83   2HG   PRO  11          1HG       PRO  11   3.089 -10.952  -4.319
   84   1HD   PRO  11          2HD       PRO  11   0.557 -10.571  -3.522
   85   2HD   PRO  11          1HD       PRO  11   1.836  -9.396  -3.137
   86    H    ASN  12           H        ASN  12  -0.871  -7.874  -6.785
   87    HA   ASN  12           HA       ASN  12  -0.943  -9.160  -9.427
   88   1HB   ASN  12          2HB       ASN  12  -1.551 -11.009  -7.946
   89   2HB   ASN  12          1HB       ASN  12  -2.723  -9.992  -7.107
   90   1HD2  ASN  12          1HD2      ASN  12  -4.807  -9.769  -8.038
   91   2HD2  ASN  12          2HD2      ASN  12  -5.261 -10.496  -9.503
   92    H    ASP  13           H        ASP  13  -2.700  -7.522  -6.824
   93    HA   ASP  13           HA       ASP  13  -3.674  -5.476  -8.711
   94   1HB   ASP  13          2HB       ASP  13  -5.227  -7.635  -8.446
   95   2HB   ASP  13          1HB       ASP  13  -5.718  -6.809  -6.967
   96    H    ASP  14           H        ASP  14  -1.814  -5.277  -6.664
   97    HA   ASP  14           HA       ASP  14  -2.687  -4.648  -4.064
   98   1HB   ASP  14          2HB       ASP  14  -0.627  -3.159  -4.112
   99   2HB   ASP  14          1HB       ASP  14  -0.355  -4.814  -4.661
  100    H    LYS  15           H        LYS  15  -3.214  -2.601  -3.078
  101    HA   LYS  15           HA       LYS  15  -4.360  -0.598  -4.994
  102   1HB   LYS  15          2HB       LYS  15  -5.885  -2.047  -3.520
  103   2HB   LYS  15          1HB       LYS  15  -5.242  -1.140  -2.151
  104   1HG   LYS  15          2HG       LYS  15  -6.632   0.574  -2.594
  105   2HG   LYS  15          1HG       LYS  15  -5.983   0.704  -4.229
  106   1HD   LYS  15          2HD       LYS  15  -7.909  -0.116  -5.049
  107   2HD   LYS  15          1HD       LYS  15  -7.636  -1.613  -4.157
  108   1HE   LYS  15          2HE       LYS  15  -8.540  -0.163  -2.111
  109   2HE   LYS  15          1HE       LYS  15  -9.330   0.744  -3.417
  110   1HZ   LYS  15          1HZ       LYS  15 -10.644  -1.194  -2.640
  111   2HZ   LYS  15          2HZ       LYS  15  -9.390  -2.217  -3.160
  112   3HZ   LYS  15          3HZ       LYS  15 -10.244  -1.275  -4.286
  113    H    CYS  16           H        CYS  16  -1.979  -1.131  -2.616
  114    HA   CYS  16           HA       CYS  16  -1.829   1.162  -1.055
  115   1HB   CYS  16          2HB       CYS  16  -0.215  -0.815  -1.229
  116   2HB   CYS  16          1HB       CYS  16   0.506   0.005  -2.616
  117    H    CYS  17           H        CYS  17  -1.170   3.323  -1.418
  118    HA   CYS  17           HA       CYS  17  -1.843   4.730  -3.679
  119   1HB   CYS  17          2HB       CYS  17   0.625   5.181  -1.964
  120   2HB   CYS  17          1HB       CYS  17  -0.238   6.412  -2.878
  121    H    ARG  18           H        ARG  18  -0.642   5.467  -5.595
  122    HA   ARG  18           HA       ARG  18   1.498   3.531  -6.392
  123   1HB   ARG  18          2HB       ARG  18   0.730   4.265  -8.713
  124   2HB   ARG  18          1HB       ARG  18  -0.453   3.374  -7.755
  125   1HG   ARG  18          2HG       ARG  18  -0.450   6.324  -7.408
  126   2HG   ARG  18          1HG       ARG  18  -1.019   5.727  -8.967
  127   1HD   ARG  18          2HD       ARG  18  -2.041   4.440  -6.443
  128   2HD   ARG  18          1HD       ARG  18  -2.747   5.971  -7.000
  129    HE   ARG  18           HE       ARG  18  -3.285   4.856  -9.144
  130   1HH1  ARG  18          1HH1      ARG  18  -4.103   3.203  -6.517
  131   2HH1  ARG  18          2HH1      ARG  18  -3.925   1.605  -7.161
  132   1HH2  ARG  18          1HH2      ARG  18  -2.231   2.649  -9.999
  133   2HH2  ARG  18          2HH2      ARG  18  -2.868   1.293  -9.132
  134    HA   PRO  19           HA       PRO  19   3.130   8.006  -6.855
  135   1HB   PRO  19          2HB       PRO  19   4.065   8.703  -4.384
  136   2HB   PRO  19          1HB       PRO  19   2.429   9.113  -4.937
  137   1HG   PRO  19          2HG       PRO  19   3.322   6.969  -3.092
  138   2HG   PRO  19          1HG       PRO  19   1.845   7.942  -3.065
  139   1HD   PRO  19          2HD       PRO  19   1.996   5.347  -3.972
  140   2HD   PRO  19          1HD       PRO  19   0.735   6.511  -4.429
  141    H    LYS  20           H        LYS  20   4.118   5.261  -4.919
  142    HA   LYS  20           HA       LYS  20   6.517   4.735  -6.309
  143   1HB   LYS  20          2HB       LYS  20   8.075   5.660  -4.418
  144   2HB   LYS  20          1HB       LYS  20   7.448   6.785  -5.622
  145   1HG   LYS  20          2HG       LYS  20   5.898   7.717  -4.140
  146   2HG   LYS  20          1HG       LYS  20   5.889   6.292  -3.099
  147   1HD   LYS  20          2HD       LYS  20   8.104   6.808  -2.267
  148   2HD   LYS  20          1HD       LYS  20   8.278   8.126  -3.426
  149   1HE   LYS  20          2HE       LYS  20   7.623   9.292  -1.495
  150   2HE   LYS  20          1HE       LYS  20   6.051   9.007  -2.269
  151   1HZ   LYS  20          1HZ       LYS  20   5.601   8.039  -0.288
  152   2HZ   LYS  20          2HZ       LYS  20   7.232   7.714   0.062
  153   3HZ   LYS  20          3HZ       LYS  20   6.369   6.708  -1.003
  154    H    LEU  21           H        LEU  21   4.377   3.311  -4.917
  155    HA   LEU  21           HA       LEU  21   6.045   1.737  -2.980
  156   1HB   LEU  21          2HB       LEU  21   3.089   2.383  -2.806
  157   2HB   LEU  21          1HB       LEU  21   4.020   1.478  -1.616
  158    HG   LEU  21           HG       LEU  21   5.308   4.008  -2.198
  159   1HD1  LEU  21          1HD1      LEU  21   2.661   4.340  -2.540
  160   2HD1  LEU  21          2HD1      LEU  21   3.672   5.565  -1.771
  161   3HD1  LEU  21          3HD1      LEU  21   2.726   4.453  -0.780
  162   1HD2  LEU  21          1HD2      LEU  21   5.923   3.063  -0.176
  163   2HD2  LEU  21          2HD2      LEU  21   4.304   2.442   0.144
  164   3HD2  LEU  21          3HD2      LEU  21   4.656   4.153   0.388
  165    H    LYS  22           H        LYS  22   5.213  -0.519  -2.743
  166    HA   LYS  22           HA       LYS  22   3.430  -1.582  -4.770
  167   1HB   LYS  22          2HB       LYS  22   5.484  -1.211  -6.056
  168   2HB   LYS  22          1HB       LYS  22   6.415  -2.103  -4.852
  169   1HG   LYS  22          2HG       LYS  22   6.044  -3.883  -6.223
  170   2HG   LYS  22          1HG       LYS  22   4.461  -3.917  -5.445
  171   1HD   LYS  22          2HD       LYS  22   3.822  -2.163  -7.292
  172   2HD   LYS  22          1HD       LYS  22   5.220  -2.826  -8.140
  173   1HE   LYS  22          2HE       LYS  22   3.925  -5.114  -7.283
  174   2HE   LYS  22          1HE       LYS  22   2.577  -4.035  -7.694
  175   1HZ   LYS  22          1HZ       LYS  22   3.577  -3.570  -9.808
  176   2HZ   LYS  22          2HZ       LYS  22   3.460  -5.257  -9.638
  177   3HZ   LYS  22          3HZ       LYS  22   4.955  -4.481  -9.419
  178    H    CYS  23           H        CYS  23   2.619  -3.581  -4.081
  179    HA   CYS  23           HA       CYS  23   2.695  -4.476  -1.491
  180   1HB   CYS  23          2HB       CYS  23   1.318  -5.389  -3.381
  181   2HB   CYS  23          1HB       CYS  23   2.739  -6.265  -3.943
  182    H    SER  24           H        SER  24   4.004  -5.808  -0.217
  183    HA   SER  24           HA       SER  24   6.632  -6.655  -1.389
  184   1HB   SER  24          2HB       SER  24   5.954  -4.814   0.767
  185   2HB   SER  24          1HB       SER  24   7.006  -6.106   1.333
  186    HG   SER  24           HG       SER  24   8.528  -4.995   0.411
  187    H    LYS  25           H        LYS  25   6.587  -8.874  -1.339
  188    HA   LYS  25           HA       LYS  25   4.862 -10.451   0.314
  189   1HB   LYS  25          2HB       LYS  25   6.309 -10.872  -1.894
  190   2HB   LYS  25          1HB       LYS  25   7.466 -11.504  -0.720
  191   1HG   LYS  25          2HG       LYS  25   6.100 -13.258  -0.104
  192   2HG   LYS  25          1HG       LYS  25   4.619 -12.366  -0.456
  193   1HD   LYS  25          2HD       LYS  25   4.725 -13.966  -2.187
  194   2HD   LYS  25          1HD       LYS  25   5.368 -12.502  -2.933
  195   1HE   LYS  25          2HE       LYS  25   7.693 -13.321  -2.294
  196   2HE   LYS  25          1HE       LYS  25   6.936 -14.870  -1.869
  197   1HZ   LYS  25          1HZ       LYS  25   7.719 -14.269  -4.344
  198   2HZ   LYS  25          2HZ       LYS  25   6.118 -13.702  -4.401
  199   3HZ   LYS  25          3HZ       LYS  25   6.435 -15.324  -4.006
  200    H    LEU  26           H        LEU  26   7.807  -8.823   1.025
  201    HA   LEU  26           HA       LEU  26   9.079 -10.483   2.911
  202   1HB   LEU  26          2HB       LEU  26   8.711  -7.534   2.494
  203   2HB   LEU  26          1HB       LEU  26   9.520  -8.084   3.963
  204    HG   LEU  26           HG       LEU  26  10.463  -9.462   1.553
  205   1HD1  LEU  26          1HD1      LEU  26  11.021  -6.495   1.843
  206   2HD1  LEU  26          2HD1      LEU  26   9.959  -7.193   0.621
  207   3HD1  LEU  26          3HD1      LEU  26  11.682  -7.574   0.614
  208   1HD2  LEU  26          1HD2      LEU  26  11.923  -7.793   3.621
  209   2HD2  LEU  26          2HD2      LEU  26  12.615  -9.037   2.578
  210   3HD2  LEU  26          3HD2      LEU  26  11.489  -9.486   3.860
  211    H    PHE  27           H        PHE  27   6.275  -8.325   3.333
  212    HA   PHE  27           HA       PHE  27   5.664  -9.759   5.889
  213   1HB   PHE  27          2HB       PHE  27   5.935  -6.814   5.320
  214   2HB   PHE  27          1HB       PHE  27   4.892  -7.388   6.623
  215    HD1  PHE  27           1HD      PHE  27   8.362  -7.213   5.384
  216    HD2  PHE  27           2HD      PHE  27   5.806  -8.437   8.609
  217    HE1  PHE  27           1HE      PHE  27  10.344  -7.524   6.835
  218    HE2  PHE  27           2HE      PHE  27   7.787  -8.749  10.065
  219    HZ   PHE  27           HZ       PHE  27  10.060  -8.292   9.178
  220    H    LYS  28           H        LYS  28   4.638  -9.203   2.859
  221    HA   LYS  28           HA       LYS  28   2.490  -9.457   1.877
  222   1HB   LYS  28          2HB       LYS  28   1.262  -9.447   4.624
  223   2HB   LYS  28          1HB       LYS  28   0.832 -10.422   3.222
  224   1HG   LYS  28          2HG       LYS  28   3.439 -11.210   3.755
  225   2HG   LYS  28          1HG       LYS  28   2.753 -10.983   5.363
  226   1HD   LYS  28          2HD       LYS  28   1.715 -12.969   5.155
  227   2HD   LYS  28          1HD       LYS  28   0.766 -12.296   3.828
  228   1HE   LYS  28          2HE       LYS  28   1.796 -13.841   2.510
  229   2HE   LYS  28          1HE       LYS  28   3.253 -12.838   2.666
  230   1HZ   LYS  28          1HZ       LYS  28   2.406 -14.962   4.568
  231   2HZ   LYS  28          2HZ       LYS  28   3.794 -13.993   4.716
  232   3HZ   LYS  28          3HZ       LYS  28   3.662 -15.104   3.437
  233    H    LEU  29           H        LEU  29   3.745  -6.881   2.804
  234    HA   LEU  29           HA       LEU  29   1.243  -5.220   2.853
  235   1HB   LEU  29          2HB       LEU  29   3.841  -4.484   4.215
  236   2HB   LEU  29          1HB       LEU  29   2.228  -3.836   4.516
  237    HG   LEU  29           HG       LEU  29   3.088  -6.688   5.087
  238   1HD1  LEU  29          1HD1      LEU  29   4.158  -5.386   6.732
  239   2HD1  LEU  29          2HD1      LEU  29   2.631  -5.825   7.497
  240   3HD1  LEU  29          3HD1      LEU  29   2.835  -4.220   6.797
  241   1HD2  LEU  29          1HD2      LEU  29   0.545  -5.640   4.630
  242   2HD2  LEU  29          2HD2      LEU  29   0.686  -5.651   6.388
  243   3HD2  LEU  29          3HD2      LEU  29   0.906  -7.144   5.477
  244    H    CYS  30           H        CYS  30   1.669  -2.973   1.969
  245    HA   CYS  30           HA       CYS  30   3.365  -3.170  -0.422
  246   1HB   CYS  30          2HB       CYS  30   2.043  -1.418  -1.188
  247   2HB   CYS  30          1HB       CYS  30   0.947  -2.207  -0.071
  248    H    ASN  31           H        ASN  31   5.357  -2.264  -0.628
  249    HA   ASN  31           HA       ASN  31   6.257  -0.395   1.546
  250   1HB   ASN  31          2HB       ASN  31   7.173  -2.858   1.132
  251   2HB   ASN  31          1HB       ASN  31   8.140  -2.045  -0.098
  252   1HD2  ASN  31          1HD2      ASN  31  10.127  -2.352   1.161
  253   2HD2  ASN  31          2HD2      ASN  31  10.424  -1.441   2.563
  254    H    PHE  32           H        PHE  32   8.756   0.135   0.135
  255    HA   PHE  32           HA       PHE  32   7.757   2.173  -1.770
  256   1HB   PHE  32          2HB       PHE  32   9.329   2.986  -0.209
  257   2HB   PHE  32          1HB       PHE  32  10.324   1.544  -0.338
  258    HD1  PHE  32           1HD      PHE  32   9.491   4.781  -1.854
  259    HD2  PHE  32           2HD      PHE  32  11.838   1.202  -2.231
  260    HE1  PHE  32           1HE      PHE  32  10.905   5.888  -3.567
  261    HE2  PHE  32           2HE      PHE  32  13.249   2.309  -3.943
  262    HZ   PHE  32           HZ       PHE  32  12.784   4.651  -4.610
  263    H    SER  33           H        SER  33   9.274   2.465  -3.745
  264    HA   SER  33           HA       SER  33  10.727   0.317  -4.915
  265   1HB   SER  33          2HB       SER  33   8.048  -0.285  -4.645
  266   2HB   SER  33          1HB       SER  33   8.123   0.329  -6.292
  267    HG   SER  33           HG       SER  33   8.559  -1.946  -6.101
  268    H    PHE  34           H        PHE  34  11.943   1.512  -6.325
  269    HA   PHE  34           HA       PHE  34  10.636   3.132  -8.400
  270   1HB   PHE  34          2HB       PHE  34  10.782   4.513  -6.257
  271   2HB   PHE  34          1HB       PHE  34  12.535   4.446  -6.441
  272    HD1  PHE  34           1HD      PHE  34   9.403   5.386  -8.267
  273    HD2  PHE  34           2HD      PHE  34  13.657   5.957  -7.849
  274    HE1  PHE  34           1HE      PHE  34   9.312   7.260  -9.904
  275    HE2  PHE  34           2HE      PHE  34  13.567   7.834  -9.484
  276    HZ   PHE  34           HZ       PHE  34  11.394   8.484 -10.513
  277   1HN   NH2  35          1HN       NH2  35  11.813   2.737 -10.319
  278   2HN   NH2  35          2HN       NH2  35  13.564   2.403 -10.353
  Start of MODEL   16
    1   1H    GLY   1          1HT       GLY   1  -9.065   5.017  -0.444
    2   2H    GLY   1          2HT       GLY   1 -10.317   5.247  -1.571
    3   3H    GLY   1          3HT       GLY   1  -9.638   6.581  -0.767
    4   1HA   GLY   1          2HA       GLY   1  -8.938   5.824  -3.225
    5   2HA   GLY   1          1HA       GLY   1  -7.873   6.704  -2.127
    6    H    CYS   2           H        CYS   2  -6.078   5.648  -1.295
    7    HA   CYS   2           HA       CYS   2  -5.751   2.769  -2.043
    8   1HB   CYS   2          2HB       CYS   2  -3.295   3.503  -2.223
    9   2HB   CYS   2          1HB       CYS   2  -4.376   4.059  -3.490
   10    H    LEU   3           H        LEU   3  -3.528   2.098  -0.707
   11    HA   LEU   3           HA       LEU   3  -4.277   2.494   2.143
   12   1HB   LEU   3          2HB       LEU   3  -2.354   0.559   0.817
   13   2HB   LEU   3          1HB       LEU   3  -3.022   0.444   2.439
   14    HG   LEU   3           HG       LEU   3  -4.860   0.561   0.065
   15   1HD1  LEU   3          1HD1      LEU   3  -3.493  -1.276  -0.555
   16   2HD1  LEU   3          2HD1      LEU   3  -4.860  -2.008   0.286
   17   3HD1  LEU   3          3HD1      LEU   3  -3.314  -1.813   1.114
   18   1HD2  LEU   3          1HD2      LEU   3  -4.989  -0.534   2.888
   19   2HD2  LEU   3          2HD2      LEU   3  -6.234  -0.845   1.679
   20   3HD2  LEU   3          3HD2      LEU   3  -5.917   0.806   2.215
   21    H    GLU   4           H        GLU   4  -2.151   2.343   3.610
   22    HA   GLU   4           HA       GLU   4  -0.543   4.697   3.003
   23   1HB   GLU   4          2HB       GLU   4  -1.313   3.177   5.232
   24   2HB   GLU   4          1HB       GLU   4   0.435   2.965   5.130
   25   1HG   GLU   4          2HG       GLU   4   0.814   5.083   5.806
   26   2HG   GLU   4          1HG       GLU   4  -0.326   5.727   4.625
   27    H    PHE   5           H        PHE   5   1.994   4.081   3.776
   28    HA   PHE   5           HA       PHE   5   3.011   2.655   1.429
   29   1HB   PHE   5          2HB       PHE   5   4.755   4.049   1.809
   30   2HB   PHE   5          1HB       PHE   5   3.795   4.750   3.107
   31    HD1  PHE   5           1HD      PHE   5   4.054   3.867   5.459
   32    HD2  PHE   5           2HD      PHE   5   6.681   2.711   2.263
   33    HE1  PHE   5           1HE      PHE   5   5.708   3.042   7.115
   34    HE2  PHE   5           2HE      PHE   5   8.334   1.890   3.918
   35    HZ   PHE   5           HZ       PHE   5   7.848   2.054   6.344
   36    H    TRP   6           H        TRP   6   1.666   1.295   3.979
   37    HA   TRP   6           HA       TRP   6   3.400  -1.076   3.868
   38   1HB   TRP   6          2HB       TRP   6   4.416   0.636   5.493
   39   2HB   TRP   6          1HB       TRP   6   3.008   0.357   6.516
   40    HD1  TRP   6           HD       TRP   6   3.629  -1.238   8.384
   41    HE1  TRP   6           1HE      TRP   6   5.024  -3.397   8.588
   42    HE3  TRP   6           3HE      TRP   6   5.341  -1.628   3.599
   43    HZ2  TRP   6           2HZ      TRP   6   6.655  -5.070   6.934
   44    HZ3  TRP   6           3HZ      TRP   6   6.815  -3.508   2.933
   45    HH2  TRP   6           HH       TRP   6   7.473  -5.230   4.594
   46    H    TRP   7           H        TRP   7   0.626  -0.669   3.239
   47    HA   TRP   7           HA       TRP   7  -0.786  -2.002   5.521
   48   1HB   TRP   7          2HB       TRP   7  -1.514  -0.218   3.228
   49   2HB   TRP   7          1HB       TRP   7  -2.751  -1.301   3.866
   50    HD1  TRP   7           HD       TRP   7  -0.425  -0.389   6.554
   51    HE1  TRP   7           1HE      TRP   7  -1.430   1.447   8.060
   52    HE3  TRP   7           3HE      TRP   7  -4.356   1.086   3.646
   53    HZ2  TRP   7           2HZ      TRP   7  -3.610   3.298   8.033
   54    HZ3  TRP   7           3HZ      TRP   7  -5.879   2.886   4.412
   55    HH2  TRP   7           HH       TRP   7  -5.512   3.993   6.599
   56    H    LYS   8           H        LYS   8  -2.244  -3.818   4.917
   57    HA   LYS   8           HA       LYS   8  -1.178  -5.977   3.628
   58   1HB   LYS   8          2HB       LYS   8  -3.870  -5.988   2.730
   59   2HB   LYS   8          1HB       LYS   8  -3.213  -6.785   4.150
   60   1HG   LYS   8          2HG       LYS   8  -3.692  -4.844   5.529
   61   2HG   LYS   8          1HG       LYS   8  -4.165  -3.905   4.113
   62   1HD   LYS   8          2HD       LYS   8  -6.134  -4.789   5.357
   63   2HD   LYS   8          1HD       LYS   8  -6.054  -5.408   3.706
   64   1HE   LYS   8          2HE       LYS   8  -5.783  -7.551   4.421
   65   2HE   LYS   8          1HE       LYS   8  -4.584  -7.074   5.639
   66   1HZ   LYS   8          1HZ       LYS   8  -7.481  -6.490   5.899
   67   2HZ   LYS   8          2HZ       LYS   8  -6.281  -6.332   7.091
   68   3HZ   LYS   8          3HZ       LYS   8  -6.761  -7.874   6.562
   69    H    CYS   9           H        CYS   9  -0.707  -6.616   1.564
   70    HA   CYS   9           HA       CYS   9  -1.677  -4.881  -0.683
   71   1HB   CYS   9          2HB       CYS   9   0.593  -4.762  -1.518
   72   2HB   CYS   9          1HB       CYS   9   0.624  -4.297   0.182
   73    H    ASN  10           H        ASN  10  -1.381  -5.940  -2.818
   74    HA   ASN  10           HA       ASN  10  -0.993  -8.872  -2.829
   75   1HB   ASN  10          2HB       ASN  10  -3.473  -7.878  -2.297
   76   2HB   ASN  10          1HB       ASN  10  -3.528  -7.933  -4.060
   77   1HD2  ASN  10          1HD2      ASN  10  -4.572  -9.848  -4.629
   78   2HD2  ASN  10          2HD2      ASN  10  -4.251 -11.370  -3.947
   79    HA   PRO  11           HA       PRO  11   0.702  -7.437  -6.690
   80   1HB   PRO  11          2HB       PRO  11   1.322  -9.921  -7.687
   81   2HB   PRO  11          1HB       PRO  11   2.307  -9.086  -6.469
   82   1HG   PRO  11          2HG       PRO  11   0.243 -11.214  -6.094
   83   2HG   PRO  11          1HG       PRO  11   1.836 -11.045  -5.333
   84   1HD   PRO  11          2HD       PRO  11  -0.423 -10.356  -4.047
   85   2HD   PRO  11          1HD       PRO  11   1.095  -9.457  -3.819
   86    H    ASN  12           H        ASN  12  -2.007  -9.536  -6.229
   87    HA   ASN  12           HA       ASN  12  -2.723  -9.627  -9.096
   88   1HB   ASN  12          2HB       ASN  12  -3.061 -11.450  -7.306
   89   2HB   ASN  12          1HB       ASN  12  -4.376 -10.444  -6.696
   90   1HD2  ASN  12          1HD2      ASN  12  -5.122 -12.922  -7.647
   91   2HD2  ASN  12          2HD2      ASN  12  -5.889 -12.783  -9.154
   92    H    ASP  13           H        ASP  13  -3.744  -8.002  -6.109
   93    HA   ASP  13           HA       ASP  13  -5.379  -6.125  -7.780
   94   1HB   ASP  13          2HB       ASP  13  -6.315  -8.044  -5.998
   95   2HB   ASP  13          1HB       ASP  13  -6.307  -6.566  -5.033
   96    H    ASP  14           H        ASP  14  -2.811  -5.431  -7.225
   97    HA   ASP  14           HA       ASP  14  -1.970  -4.316  -4.852
   98   1HB   ASP  14          2HB       ASP  14  -1.030  -4.293  -7.293
   99   2HB   ASP  14          1HB       ASP  14  -1.843  -2.732  -7.411
  100    H    LYS  15           H        LYS  15  -2.544  -2.578  -3.566
  101    HA   LYS  15           HA       LYS  15  -4.671  -0.731  -4.580
  102   1HB   LYS  15          2HB       LYS  15  -5.672  -2.450  -3.162
  103   2HB   LYS  15          1HB       LYS  15  -4.478  -2.138  -1.900
  104   1HG   LYS  15          2HG       LYS  15  -6.545  -0.975  -1.334
  105   2HG   LYS  15          1HG       LYS  15  -5.314   0.216  -1.756
  106   1HD   LYS  15          2HD       LYS  15  -7.327   0.862  -2.901
  107   2HD   LYS  15          1HD       LYS  15  -6.240   0.189  -4.114
  108   1HE   LYS  15          2HE       LYS  15  -8.127  -1.028  -4.662
  109   2HE   LYS  15          1HE       LYS  15  -7.539  -2.075  -3.353
  110   1HZ   LYS  15          1HZ       LYS  15  -9.088   0.286  -2.603
  111   2HZ   LYS  15          2HZ       LYS  15  -9.036  -1.250  -1.879
  112   3HZ   LYS  15          3HZ       LYS  15  -9.945  -1.004  -3.294
  113    H    CYS  16           H        CYS  16  -1.881  -1.248  -2.479
  114    HA   CYS  16           HA       CYS  16  -1.693   1.034  -0.945
  115   1HB   CYS  16          2HB       CYS  16  -0.022  -0.866  -1.294
  116   2HB   CYS  16          1HB       CYS  16   0.551   0.013  -2.712
  117    H    CYS  17           H        CYS  17  -1.180   3.236  -1.313
  118    HA   CYS  17           HA       CYS  17  -2.067   4.562  -3.591
  119   1HB   CYS  17          2HB       CYS  17   0.226   5.235  -1.718
  120   2HB   CYS  17          1HB       CYS  17  -0.578   6.397  -2.768
  121    H    ARG  18           H        ARG  18  -0.722   5.676  -5.332
  122    HA   ARG  18           HA       ARG  18   1.460   3.828  -6.229
  123   1HB   ARG  18          2HB       ARG  18   0.747   4.714  -8.509
  124   2HB   ARG  18          1HB       ARG  18  -0.456   3.747  -7.655
  125   1HG   ARG  18          2HG       ARG  18  -0.536   6.633  -7.038
  126   2HG   ARG  18          1HG       ARG  18  -0.950   6.223  -8.703
  127   1HD   ARG  18          2HD       ARG  18  -2.322   4.295  -7.266
  128   2HD   ARG  18          1HD       ARG  18  -2.478   5.736  -6.241
  129    HE   ARG  18           HE       ARG  18  -3.027   6.846  -8.612
  130   1HH1  ARG  18          1HH2      ARG  18  -3.357   3.750  -9.280
  131   2HH1  ARG  18          2HH2      ARG  18  -5.087   3.676  -9.332
  132   1HH2  ARG  18          1HH1      ARG  18  -5.530   6.776  -7.843
  133   2HH2  ARG  18          2HH1      ARG  18  -6.316   5.388  -8.519
  134    HA   PRO  19           HA       PRO  19   3.105   8.276  -6.107
  135   1HB   PRO  19          2HB       PRO  19   4.230   8.445  -3.623
  136   2HB   PRO  19          1HB       PRO  19   2.564   8.963  -3.948
  137   1HG   PRO  19          2HG       PRO  19   3.558   6.488  -2.652
  138   2HG   PRO  19          1HG       PRO  19   2.094   7.426  -2.328
  139   1HD   PRO  19          2HD       PRO  19   2.175   5.064  -3.763
  140   2HD   PRO  19          1HD       PRO  19   0.881   6.275  -3.858
  141    H    LYS  20           H        LYS  20   4.202   5.322  -4.561
  142    HA   LYS  20           HA       LYS  20   6.384   4.755  -6.245
  143   1HB   LYS  20          2HB       LYS  20   7.383   6.829  -5.519
  144   2HB   LYS  20          1HB       LYS  20   7.003   6.487  -3.831
  145   1HG   LYS  20          2HG       LYS  20   8.783   5.079  -3.582
  146   2HG   LYS  20          1HG       LYS  20   8.639   4.445  -5.222
  147   1HD   LYS  20          2HD       LYS  20   9.457   7.296  -4.949
  148   2HD   LYS  20          1HD       LYS  20  10.648   6.078  -4.493
  149   1HE   LYS  20          2HE       LYS  20   9.887   4.970  -6.800
  150   2HE   LYS  20          1HE       LYS  20   9.467   6.651  -7.184
  151   1HZ   LYS  20          1HZ       LYS  20  12.014   6.132  -5.835
  152   2HZ   LYS  20          2HZ       LYS  20  11.608   7.353  -6.944
  153   3HZ   LYS  20          3HZ       LYS  20  11.913   5.773  -7.489
  154    H    LEU  21           H        LEU  21   4.520   3.131  -5.062
  155    HA   LEU  21           HA       LEU  21   6.153   1.564  -3.102
  156   1HB   LEU  21          2HB       LEU  21   3.216   2.276  -2.871
  157   2HB   LEU  21          1HB       LEU  21   4.111   1.259  -1.744
  158    HG   LEU  21           HG       LEU  21   4.912   4.110  -2.379
  159   1HD1  LEU  21          1HD1      LEU  21   2.934   2.989  -0.426
  160   2HD1  LEU  21          2HD1      LEU  21   2.875   4.499  -1.335
  161   3HD1  LEU  21          3HD1      LEU  21   3.928   4.357   0.072
  162   1HD2  LEU  21          1HD2      LEU  21   6.729   2.866  -1.448
  163   2HD2  LEU  21          2HD2      LEU  21   5.674   2.055  -0.292
  164   3HD2  LEU  21          3HD2      LEU  21   6.039   3.769  -0.099
  165    H    LYS  22           H        LYS  22   5.233  -0.668  -2.848
  166    HA   LYS  22           HA       LYS  22   3.419  -1.696  -4.852
  167   1HB   LYS  22          2HB       LYS  22   5.142  -3.140  -5.919
  168   2HB   LYS  22          1HB       LYS  22   5.466  -1.424  -6.165
  169   1HG   LYS  22          2HG       LYS  22   6.837  -1.718  -3.906
  170   2HG   LYS  22          1HG       LYS  22   6.904  -3.399  -4.444
  171   1HD   LYS  22          2HD       LYS  22   7.657  -2.498  -6.707
  172   2HD   LYS  22          1HD       LYS  22   7.885  -0.943  -5.905
  173   1HE   LYS  22          2HE       LYS  22  10.023  -1.935  -5.719
  174   2HE   LYS  22          1HE       LYS  22   9.275  -2.363  -4.167
  175   1HZ   LYS  22          1HZ       LYS  22  10.244  -4.293  -5.379
  176   2HZ   LYS  22          2HZ       LYS  22   9.098  -4.045  -6.608
  177   3HZ   LYS  22          3HZ       LYS  22   8.590  -4.457  -5.040
  178    H    CYS  23           H        CYS  23   2.589  -3.705  -4.143
  179    HA   CYS  23           HA       CYS  23   2.622  -4.523  -1.525
  180   1HB   CYS  23          2HB       CYS  23   1.227  -5.488  -3.330
  181   2HB   CYS  23          1HB       CYS  23   2.646  -6.295  -3.994
  182    H    SER  24           H        SER  24   4.047  -5.543  -0.150
  183    HA   SER  24           HA       SER  24   6.619  -6.556  -1.320
  184   1HB   SER  24          2HB       SER  24   5.944  -4.609   0.803
  185   2HB   SER  24          1HB       SER  24   7.242  -5.731   1.206
  186    HG   SER  24           HG       SER  24   8.375  -4.332   0.086
  187    H    LYS  25           H        LYS  25   6.874  -8.689  -0.908
  188    HA   LYS  25           HA       LYS  25   5.151 -10.188   0.862
  189   1HB   LYS  25          2HB       LYS  25   6.849 -10.642  -1.280
  190   2HB   LYS  25          1HB       LYS  25   7.702 -11.401   0.064
  191   1HG   LYS  25          2HG       LYS  25   6.318 -13.165  -0.164
  192   2HG   LYS  25          1HG       LYS  25   5.012 -12.127   0.411
  193   1HD   LYS  25          2HD       LYS  25   5.267 -11.368  -2.235
  194   2HD   LYS  25          1HD       LYS  25   5.557 -13.106  -2.300
  195   1HE   LYS  25          2HE       LYS  25   3.385 -12.789  -0.528
  196   2HE   LYS  25          1HE       LYS  25   3.047 -11.714  -1.901
  197   1HZ   LYS  25          1HZ       LYS  25   3.604 -13.531  -3.407
  198   2HZ   LYS  25          2HZ       LYS  25   2.319 -13.971  -2.384
  199   3HZ   LYS  25          3HZ       LYS  25   3.885 -14.562  -2.089
  200    H    LEU  26           H        LEU  26   8.005  -8.349   1.409
  201    HA   LEU  26           HA       LEU  26   9.471  -9.687   3.349
  202   1HB   LEU  26          2HB       LEU  26   8.582  -6.859   2.915
  203   2HB   LEU  26          1HB       LEU  26   9.413  -7.238   4.423
  204    HG   LEU  26           HG       LEU  26  10.902  -8.544   2.437
  205   1HD1  LEU  26          1HD1      LEU  26   9.609  -7.073   0.823
  206   2HD1  LEU  26          2HD1      LEU  26  11.360  -6.877   0.765
  207   3HD1  LEU  26          3HD1      LEU  26  10.365  -5.683   1.599
  208   1HD2  LEU  26          1HD2      LEU  26  12.159  -6.084   3.011
  209   2HD2  LEU  26          2HD2      LEU  26  12.399  -7.616   3.850
  210   3HD2  LEU  26          3HD2      LEU  26  11.196  -6.468   4.439
  211    H    PHE  27           H        PHE  27   6.374  -7.987   3.805
  212    HA   PHE  27           HA       PHE  27   5.886  -9.650   6.234
  213   1HB   PHE  27          2HB       PHE  27   6.031  -6.665   5.958
  214   2HB   PHE  27          1HB       PHE  27   4.916  -7.370   7.131
  215    HD1  PHE  27           1HD      PHE  27   8.299  -6.412   6.504
  216    HD2  PHE  27           2HD      PHE  27   5.883  -9.168   8.740
  217    HE1  PHE  27           1HE      PHE  27  10.187  -6.799   8.062
  218    HE2  PHE  27           2HE      PHE  27   7.770  -9.555  10.301
  219    HZ   PHE  27           HZ       PHE  27   9.923  -8.371   9.963
  220    H    LYS  28           H        LYS  28   4.844  -8.864   3.263
  221    HA   LYS  28           HA       LYS  28   2.757  -9.324   2.228
  222   1HB   LYS  28          2HB       LYS  28   1.484  -9.350   4.964
  223   2HB   LYS  28          1HB       LYS  28   1.017 -10.250   3.525
  224   1HG   LYS  28          2HG       LYS  28   3.717 -10.956   4.192
  225   2HG   LYS  28          1HG       LYS  28   2.725 -11.099   5.642
  226   1HD   LYS  28          2HD       LYS  28   2.503 -13.206   4.592
  227   2HD   LYS  28          1HD       LYS  28   1.038 -12.344   4.121
  228   1HE   LYS  28          2HE       LYS  28   1.596 -12.564   1.939
  229   2HE   LYS  28          1HE       LYS  28   3.137 -11.736   2.235
  230   1HZ   LYS  28          1HZ       LYS  28   2.547 -14.615   2.675
  231   2HZ   LYS  28          2HZ       LYS  28   3.977 -13.847   3.178
  232   3HZ   LYS  28          3HZ       LYS  28   3.606 -13.960   1.524
  233    H    LEU  29           H        LEU  29   3.845  -6.658   3.195
  234    HA   LEU  29           HA       LEU  29   1.253  -5.128   3.124
  235   1HB   LEU  29          2HB       LEU  29   3.911  -4.549   4.479
  236   2HB   LEU  29          1HB       LEU  29   2.653  -3.338   4.292
  237    HG   LEU  29           HG       LEU  29   2.522  -4.378   6.511
  238   1HD1  LEU  29          1HD1      LEU  29   0.262  -5.206   4.668
  239   2HD1  LEU  29          2HD1      LEU  29   0.433  -3.644   5.466
  240   3HD1  LEU  29          3HD1      LEU  29   0.155  -5.097   6.424
  241   1HD2  LEU  29          1HD2      LEU  29   3.355  -6.657   5.316
  242   2HD2  LEU  29          2HD2      LEU  29   1.625  -6.983   5.414
  243   3HD2  LEU  29          3HD2      LEU  29   2.541  -6.631   6.879
  244    H    CYS  30           H        CYS  30   1.872  -2.760   2.240
  245    HA   CYS  30           HA       CYS  30   3.307  -3.250  -0.308
  246   1HB   CYS  30          2HB       CYS  30   1.982  -1.519  -1.118
  247   2HB   CYS  30          1HB       CYS  30   0.930  -2.220   0.090
  248    H    ASN  31           H        ASN  31   5.276  -2.278  -0.748
  249    HA   ASN  31           HA       ASN  31   6.163   0.069   0.804
  250   1HB   ASN  31          2HB       ASN  31   6.690  -1.636   2.376
  251   2HB   ASN  31          1HB       ASN  31   7.308  -2.700   1.123
  252   1HD2  ASN  31          1HD2      ASN  31   9.530  -2.858   1.454
  253   2HD2  ASN  31          2HD2      ASN  31  10.560  -1.537   1.729
  254    H    PHE  32           H        PHE  32   8.429   0.644   0.174
  255    HA   PHE  32           HA       PHE  32   9.762  -0.418  -2.095
  256   1HB   PHE  32          2HB       PHE  32   7.583   0.323  -3.112
  257   2HB   PHE  32          1HB       PHE  32   8.008   1.970  -2.670
  258    HD1  PHE  32           1HD      PHE  32  11.059   0.449  -3.277
  259    HD2  PHE  32           2HD      PHE  32   7.574   1.828  -5.375
  260    HE1  PHE  32           1HE      PHE  32  12.393   0.652  -5.359
  261    HE2  PHE  32           2HE      PHE  32   8.907   2.032  -7.458
  262    HZ   PHE  32           HZ       PHE  32  11.317   1.443  -7.450
  263    H    SER  33           H        SER  33   8.922   2.975  -1.422
  264    HA   SER  33           HA       SER  33  11.342   3.547   0.073
  265   1HB   SER  33          2HB       SER  33  11.590   3.240  -2.710
  266   2HB   SER  33          1HB       SER  33  11.595   4.982  -2.447
  267    HG   SER  33           HG       SER  33  13.567   3.295  -2.063
  268    H    PHE  34           H        PHE  34  11.686   6.233  -0.575
  269    HA   PHE  34           HA       PHE  34   9.229   7.415   0.509
  270   1HB   PHE  34          2HB       PHE  34  12.054   8.010   0.241
  271   2HB   PHE  34          1HB       PHE  34  11.088   9.402  -0.250
  272    HD1  PHE  34           1HD      PHE  34   8.678   9.069   1.455
  273    HD2  PHE  34           2HD      PHE  34  12.863   8.589   2.388
  274    HE1  PHE  34           1HE      PHE  34   8.205   9.579   3.847
  275    HE2  PHE  34           2HE      PHE  34  12.390   9.101   4.776
  276    HZ   PHE  34           HZ       PHE  34  10.061   9.596   5.506
  277   1HN   NH2  35          1HN       NH2  35   8.281   9.533  -0.542
  278   2HN   NH2  35          2HN       NH2  35   8.134   9.532  -2.320
  Start of MODEL   17
    1   1H    GLY   1          1HT       GLY   1 -10.565   4.541  -1.262
    2   2H    GLY   1          2HT       GLY   1 -10.443   6.098  -0.592
    3   3H    GLY   1          3HT       GLY   1  -9.662   4.786   0.154
    4   1HA   GLY   1          2HA       GLY   1  -8.995   5.498  -2.623
    5   2HA   GLY   1          1HA       GLY   1  -8.286   6.404  -1.287
    6    H    CYS   2           H        CYS   2  -6.261   5.386  -2.228
    7    HA   CYS   2           HA       CYS   2  -5.757   2.568  -2.043
    8   1HB   CYS   2          2HB       CYS   2  -3.390   3.358  -2.178
    9   2HB   CYS   2          1HB       CYS   2  -4.430   4.113  -3.382
   10    H    LEU   3           H        LEU   3  -3.488   2.284  -0.526
   11    HA   LEU   3           HA       LEU   3  -4.550   2.539   2.250
   12   1HB   LEU   3          2HB       LEU   3  -2.480   0.759   0.926
   13   2HB   LEU   3          1HB       LEU   3  -2.923   0.669   2.625
   14    HG   LEU   3           HG       LEU   3  -5.383   0.563   1.520
   15   1HD1  LEU   3          1HD1      LEU   3  -3.976  -1.274  -0.328
   16   2HD1  LEU   3          2HD1      LEU   3  -3.851   0.441  -0.723
   17   3HD1  LEU   3          3HD1      LEU   3  -5.436  -0.320  -0.585
   18   1HD2  LEU   3          1HD2      LEU   3  -5.007  -2.011   1.639
   19   2HD2  LEU   3          2HD2      LEU   3  -4.762  -1.066   3.108
   20   3HD2  LEU   3          3HD2      LEU   3  -3.373  -1.593   2.158
   21    H    GLU   4           H        GLU   4  -1.663   1.855   3.080
   22    HA   GLU   4           HA       GLU   4  -0.621   4.662   3.001
   23   1HB   GLU   4          2HB       GLU   4  -1.434   3.330   5.141
   24   2HB   GLU   4          1HB       GLU   4   0.158   2.582   5.018
   25   1HG   GLU   4          2HG       GLU   4   0.508   5.383   4.646
   26   2HG   GLU   4          1HG       GLU   4  -0.511   5.162   6.069
   27    H    PHE   5           H        PHE   5   1.925   4.174   3.913
   28    HA   PHE   5           HA       PHE   5   3.244   3.121   1.528
   29   1HB   PHE   5          2HB       PHE   5   4.380   4.936   2.381
   30   2HB   PHE   5          1HB       PHE   5   3.891   4.589   4.037
   31    HD1  PHE   5           1HD      PHE   5   5.154   3.013   5.425
   32    HD2  PHE   5           2HD      PHE   5   6.366   3.903   1.401
   33    HE1  PHE   5           1HE      PHE   5   7.365   1.979   5.862
   34    HE2  PHE   5           2HE      PHE   5   8.576   2.868   1.838
   35    HZ   PHE   5           HZ       PHE   5   9.076   1.906   4.070
   36    H    TRP   6           H        TRP   6   1.888   1.559   4.116
   37    HA   TRP   6           HA       TRP   6   3.495  -0.871   3.670
   38   1HB   TRP   6          2HB       TRP   6   4.746   0.670   5.279
   39   2HB   TRP   6          1HB       TRP   6   3.415   0.432   6.410
   40    HD1  TRP   6           HD       TRP   6   4.211  -1.199   8.174
   41    HE1  TRP   6           1HE      TRP   6   5.439  -3.465   8.176
   42    HE3  TRP   6           3HE      TRP   6   5.205  -1.671   3.187
   43    HZ2  TRP   6           2HZ      TRP   6   6.684  -5.237   6.312
   44    HZ3  TRP   6           3HZ      TRP   6   6.410  -3.658   2.328
   45    HH2  TRP   6           HH       TRP   6   7.149  -5.443   3.881
   46    H    TRP   7           H        TRP   7   0.804  -0.608   3.173
   47    HA   TRP   7           HA       TRP   7  -0.539  -1.827   5.562
   48   1HB   TRP   7          2HB       TRP   7  -1.367  -0.104   3.252
   49   2HB   TRP   7          1HB       TRP   7  -2.573  -1.187   3.951
   50    HD1  TRP   7           HD       TRP   7  -0.128  -0.172   6.507
   51    HE1  TRP   7           1HE      TRP   7  -1.100   1.659   8.037
   52    HE3  TRP   7           3HE      TRP   7  -4.264   1.145   3.805
   53    HZ2  TRP   7           2HZ      TRP   7  -3.329   3.444   8.111
   54    HZ3  TRP   7           3HZ      TRP   7  -5.790   2.912   4.630
   55    HH2  TRP   7           HH       TRP   7  -5.330   4.062   6.778
   56    H    LYS   8           H        LYS   8  -2.277  -3.535   4.780
   57    HA   LYS   8           HA       LYS   8  -1.092  -5.784   3.687
   58   1HB   LYS   8          2HB       LYS   8  -3.886  -5.106   2.827
   59   2HB   LYS   8          1HB       LYS   8  -3.249  -6.641   3.386
   60   1HG   LYS   8          2HG       LYS   8  -3.936  -4.217   5.056
   61   2HG   LYS   8          1HG       LYS   8  -4.612  -5.840   5.166
   62   1HD   LYS   8          2HD       LYS   8  -1.677  -5.286   5.638
   63   2HD   LYS   8          1HD       LYS   8  -2.869  -5.243   6.936
   64   1HE   LYS   8          2HE       LYS   8  -3.342  -7.636   5.466
   65   2HE   LYS   8          1HE       LYS   8  -1.598  -7.548   5.791
   66   1HZ   LYS   8          1HZ       LYS   8  -2.716  -8.496   7.690
   67   2HZ   LYS   8          2HZ       LYS   8  -3.781  -7.174   7.773
   68   3HZ   LYS   8          3HZ       LYS   8  -2.128  -6.960   8.100
   69    H    CYS   9           H        CYS   9  -0.796  -6.605   1.568
   70    HA   CYS   9           HA       CYS   9  -1.400  -4.744  -0.690
   71   1HB   CYS   9          2HB       CYS   9   0.885  -4.824  -1.426
   72   2HB   CYS   9          1HB       CYS   9   0.933  -4.461   0.298
   73    H    ASN  10           H        ASN  10  -1.507  -5.816  -2.754
   74    HA   ASN  10           HA       ASN  10  -1.340  -8.791  -2.725
   75   1HB   ASN  10          2HB       ASN  10  -3.672  -7.506  -2.222
   76   2HB   ASN  10          1HB       ASN  10  -3.735  -7.557  -3.985
   77   1HD2  ASN  10          1HD2      ASN  10  -5.002  -9.215  -1.553
   78   2HD2  ASN  10          2HD2      ASN  10  -4.881 -10.810  -2.125
   79    HA   PRO  11           HA       PRO  11   0.538  -7.537  -6.597
   80   1HB   PRO  11          2HB       PRO  11   1.253 -10.079  -7.357
   81   2HB   PRO  11          1HB       PRO  11   2.181  -9.116  -6.190
   82   1HG   PRO  11          2HG       PRO  11   0.182 -11.275  -5.694
   83   2HG   PRO  11          1HG       PRO  11   1.735 -10.971  -4.894
   84   1HD   PRO  11          2HD       PRO  11  -0.617 -10.270  -3.774
   85   2HD   PRO  11          1HD       PRO  11   0.867  -9.320  -3.537
   86    H    ASN  12           H        ASN  12  -2.041  -9.808  -6.034
   87    HA   ASN  12           HA       ASN  12  -2.746 -10.117  -8.876
   88   1HB   ASN  12          2HB       ASN  12  -3.055 -11.723  -6.813
   89   2HB   ASN  12          1HB       ASN  12  -4.499 -10.757  -6.510
   90   1HD2  ASN  12          1HD2      ASN  12  -5.677 -12.863  -7.039
   91   2HD2  ASN  12          2HD2      ASN  12  -5.963 -13.230  -8.671
   92    H    ASP  13           H        ASP  13  -3.816  -8.283  -6.047
   93    HA   ASP  13           HA       ASP  13  -5.465  -6.550  -7.850
   94   1HB   ASP  13          2HB       ASP  13  -6.238  -8.274  -5.637
   95   2HB   ASP  13          1HB       ASP  13  -6.672  -6.596  -5.307
   96    H    ASP  14           H        ASP  14  -2.949  -5.746  -7.332
   97    HA   ASP  14           HA       ASP  14  -2.066  -4.538  -5.044
   98   1HB   ASP  14          2HB       ASP  14  -1.939  -4.019  -7.930
   99   2HB   ASP  14          1HB       ASP  14  -1.638  -2.581  -6.956
  100    H    LYS  15           H        LYS  15  -2.459  -2.585  -3.910
  101    HA   LYS  15           HA       LYS  15  -4.748  -0.901  -4.781
  102   1HB   LYS  15          2HB       LYS  15  -5.259  -2.966  -3.186
  103   2HB   LYS  15          1HB       LYS  15  -4.671  -1.857  -1.947
  104   1HG   LYS  15          2HG       LYS  15  -6.532  -0.571  -2.060
  105   2HG   LYS  15          1HG       LYS  15  -6.531  -0.585  -3.823
  106   1HD   LYS  15          2HD       LYS  15  -8.063  -2.241  -3.905
  107   2HD   LYS  15          1HD       LYS  15  -7.198  -3.198  -2.700
  108   1HE   LYS  15          2HE       LYS  15  -9.304  -2.652  -1.688
  109   2HE   LYS  15          1HE       LYS  15  -8.137  -1.530  -0.960
  110   1HZ   LYS  15          1HZ       LYS  15 -10.055  -0.315  -1.773
  111   2HZ   LYS  15          2HZ       LYS  15  -9.856  -0.979  -3.324
  112   3HZ   LYS  15          3HZ       LYS  15  -8.689   0.084  -2.695
  113    H    CYS  16           H        CYS  16  -1.950  -1.371  -2.651
  114    HA   CYS  16           HA       CYS  16  -1.863   0.898  -1.087
  115   1HB   CYS  16          2HB       CYS  16  -0.104  -0.906  -1.378
  116   2HB   CYS  16          1HB       CYS  16   0.437  -0.056  -2.826
  117    H    CYS  17           H        CYS  17  -1.195   3.098  -1.408
  118    HA   CYS  17           HA       CYS  17  -2.189   4.473  -3.640
  119   1HB   CYS  17          2HB       CYS  17   0.182   5.224  -1.897
  120   2HB   CYS  17          1HB       CYS  17  -0.876   6.338  -2.761
  121    H    ARG  18           H        ARG  18  -0.549   5.921  -5.062
  122    HA   ARG  18           HA       ARG  18   1.324   3.965  -6.333
  123   1HB   ARG  18          2HB       ARG  18   0.943   5.546  -8.319
  124   2HB   ARG  18          1HB       ARG  18  -0.438   4.581  -7.797
  125   1HG   ARG  18          2HG       ARG  18  -0.144   7.187  -6.427
  126   2HG   ARG  18          1HG       ARG  18  -0.528   7.283  -8.147
  127   1HD   ARG  18          2HD       ARG  18  -2.095   5.255  -6.670
  128   2HD   ARG  18          1HD       ARG  18  -2.419   6.935  -6.197
  129    HE   ARG  18           HE       ARG  18  -2.250   6.653  -9.078
  130   1HH1  ARG  18          1HH1      ARG  18  -4.190   8.084  -6.987
  131   2HH1  ARG  18          2HH1      ARG  18  -5.697   7.444  -7.552
  132   1HH2  ARG  18          1HH2      ARG  18  -4.224   5.005  -9.527
  133   2HH2  ARG  18          2HH2      ARG  18  -5.716   5.700  -8.991
  134    HA   PRO  19           HA       PRO  19   3.696   8.003  -5.352
  135   1HB   PRO  19          2HB       PRO  19   4.318   7.956  -2.693
  136   2HB   PRO  19          1HB       PRO  19   2.881   8.785  -3.326
  137   1HG   PRO  19          2HG       PRO  19   3.104   6.177  -1.941
  138   2HG   PRO  19          1HG       PRO  19   1.809   7.380  -1.888
  139   1HD   PRO  19          2HD       PRO  19   1.737   5.035  -3.353
  140   2HD   PRO  19          1HD       PRO  19   0.733   6.467  -3.658
  141    H    LYS  20           H        LYS  20   4.468   5.533  -6.320
  142    HA   LYS  20           HA       LYS  20   6.465   4.314  -6.649
  143   1HB   LYS  20          2HB       LYS  20   7.575   5.815  -4.272
  144   2HB   LYS  20          1HB       LYS  20   8.443   5.179  -5.666
  145   1HG   LYS  20          2HG       LYS  20   6.903   6.803  -7.033
  146   2HG   LYS  20          1HG       LYS  20   6.709   7.625  -5.483
  147   1HD   LYS  20          2HD       LYS  20   9.259   7.603  -5.310
  148   2HD   LYS  20          1HD       LYS  20   9.273   7.118  -7.006
  149   1HE   LYS  20          2HE       LYS  20   7.476   9.356  -6.671
  150   2HE   LYS  20          1HE       LYS  20   9.072   9.756  -6.002
  151   1HZ   LYS  20          1HZ       LYS  20   9.043   8.244  -8.490
  152   2HZ   LYS  20          2HZ       LYS  20  10.087   9.486  -7.988
  153   3HZ   LYS  20          3HZ       LYS  20   8.548   9.862  -8.602
  154    H    LEU  21           H        LEU  21   4.344   3.246  -5.044
  155    HA   LEU  21           HA       LEU  21   5.896   1.732  -2.965
  156   1HB   LEU  21          2HB       LEU  21   2.894   2.098  -3.093
  157   2HB   LEU  21          1HB       LEU  21   3.865   1.618  -1.703
  158    HG   LEU  21           HG       LEU  21   3.775   4.344  -3.027
  159   1HD1  LEU  21          1HD1      LEU  21   2.588   3.093  -0.649
  160   2HD1  LEU  21          2HD1      LEU  21   2.127   4.574  -1.486
  161   3HD1  LEU  21          3HD1      LEU  21   3.428   4.602  -0.296
  162   1HD2  LEU  21          1HD2      LEU  21   5.332   4.621  -0.785
  163   2HD2  LEU  21          2HD2      LEU  21   5.971   4.444  -2.419
  164   3HD2  LEU  21          3HD2      LEU  21   5.841   3.035  -1.367
  165    H    LYS  22           H        LYS  22   5.177  -0.562  -2.730
  166    HA   LYS  22           HA       LYS  22   3.563  -1.748  -4.828
  167   1HB   LYS  22          2HB       LYS  22   6.443  -1.439  -5.058
  168   2HB   LYS  22          1HB       LYS  22   5.980  -3.139  -5.121
  169   1HG   LYS  22          2HG       LYS  22   4.093  -2.187  -6.746
  170   2HG   LYS  22          1HG       LYS  22   5.292  -0.919  -6.995
  171   1HD   LYS  22          2HD       LYS  22   6.982  -2.818  -7.375
  172   2HD   LYS  22          1HD       LYS  22   5.581  -3.882  -7.503
  173   1HE   LYS  22          2HE       LYS  22   6.274  -1.516  -9.270
  174   2HE   LYS  22          1HE       LYS  22   6.035  -3.208  -9.751
  175   1HZ   LYS  22          1HZ       LYS  22   3.743  -2.980  -8.757
  176   2HZ   LYS  22          2HZ       LYS  22   4.005  -2.135 -10.207
  177   3HZ   LYS  22          3HZ       LYS  22   4.008  -1.304  -8.725
  178    H    CYS  23           H        CYS  23   2.704  -3.667  -4.074
  179    HA   CYS  23           HA       CYS  23   2.742  -4.512  -1.452
  180   1HB   CYS  23          2HB       CYS  23   1.263  -5.438  -3.147
  181   2HB   CYS  23          1HB       CYS  23   2.629  -6.146  -4.005
  182    H    SER  24           H        SER  24   4.043  -5.840  -0.169
  183    HA   SER  24           HA       SER  24   6.639  -6.759  -1.352
  184   1HB   SER  24          2HB       SER  24   6.000  -4.883   0.788
  185   2HB   SER  24          1HB       SER  24   7.044  -6.181   1.359
  186    HG   SER  24           HG       SER  24   8.433  -4.751   0.503
  187    H    LYS  25           H        LYS  25   6.764  -8.943  -1.175
  188    HA   LYS  25           HA       LYS  25   4.960 -10.601   0.265
  189   1HB   LYS  25          2HB       LYS  25   6.764 -12.323  -0.218
  190   2HB   LYS  25          1HB       LYS  25   6.245 -11.390  -1.622
  191   1HG   LYS  25          2HG       LYS  25   8.370  -9.995  -0.251
  192   2HG   LYS  25          1HG       LYS  25   8.876 -11.642  -0.625
  193   1HD   LYS  25          2HD       LYS  25   7.536 -10.803  -2.926
  194   2HD   LYS  25          1HD       LYS  25   8.465  -9.390  -2.426
  195   1HE   LYS  25          2HE       LYS  25  10.036 -11.840  -2.174
  196   2HE   LYS  25          1HE       LYS  25   9.478 -11.575  -3.838
  197   1HZ   LYS  25          1HZ       LYS  25  11.537 -10.357  -3.376
  198   2HZ   LYS  25          2HZ       LYS  25  10.767  -9.523  -2.113
  199   3HZ   LYS  25          3HZ       LYS  25  10.256  -9.301  -3.717
  200    H    LEU  26           H        LEU  26   7.859  -8.941   1.290
  201    HA   LEU  26           HA       LEU  26   8.887 -10.371   3.404
  202   1HB   LEU  26          2HB       LEU  26   8.134  -7.453   3.127
  203   2HB   LEU  26          1HB       LEU  26   9.066  -8.051   4.497
  204    HG   LEU  26           HG       LEU  26  10.072  -8.994   1.903
  205   1HD1  LEU  26          1HD1      LEU  26  11.192  -6.493   1.888
  206   2HD1  LEU  26          2HD1      LEU  26   9.532  -6.129   2.359
  207   3HD1  LEU  26          3HD1      LEU  26   9.851  -6.988   0.853
  208   1HD2  LEU  26          1HD2      LEU  26  10.979  -8.487   4.549
  209   2HD2  LEU  26          2HD2      LEU  26  11.911  -7.441   3.478
  210   3HD2  LEU  26          3HD2      LEU  26  11.896  -9.184   3.213
  211    H    PHE  27           H        PHE  27   6.613  -7.833   4.359
  212    HA   PHE  27           HA       PHE  27   5.457  -9.718   6.363
  213   1HB   PHE  27          2HB       PHE  27   5.722  -6.747   6.035
  214   2HB   PHE  27          1HB       PHE  27   4.516  -7.406   7.137
  215    HD1  PHE  27           1HD      PHE  27   5.857  -6.198   8.942
  216    HD2  PHE  27           2HD      PHE  27   7.427  -9.476   6.658
  217    HE1  PHE  27           1HE      PHE  27   7.615  -6.550  10.651
  218    HE2  PHE  27           2HE      PHE  27   9.182  -9.828   8.360
  219    HZ   PHE  27           HZ       PHE  27   9.280  -8.366  10.364
  220    H    LYS  28           H        LYS  28   4.770  -9.039   3.291
  221    HA   LYS  28           HA       LYS  28   2.769  -9.324   2.050
  222   1HB   LYS  28          2HB       LYS  28   1.246  -9.403   4.647
  223   2HB   LYS  28          1HB       LYS  28   0.958 -10.317   3.169
  224   1HG   LYS  28          2HG       LYS  28   3.541 -11.065   3.992
  225   2HG   LYS  28          1HG       LYS  28   2.581 -11.024   5.471
  226   1HD   LYS  28          2HD       LYS  28   1.372 -12.841   4.864
  227   2HD   LYS  28          1HD       LYS  28   1.171 -12.257   3.211
  228   1HE   LYS  28          2HE       LYS  28   3.942 -13.017   3.742
  229   2HE   LYS  28          1HE       LYS  28   2.819 -14.371   3.985
  230   1HZ   LYS  28          1HZ       LYS  28   3.125 -14.418   1.714
  231   2HZ   LYS  28          2HZ       LYS  28   3.249 -12.729   1.579
  232   3HZ   LYS  28          3HZ       LYS  28   1.735 -13.454   1.840
  233    H    LEU  29           H        LEU  29   3.810  -6.704   2.868
  234    HA   LEU  29           HA       LEU  29   1.227  -5.169   2.786
  235   1HB   LEU  29          2HB       LEU  29   3.753  -4.426   4.306
  236   2HB   LEU  29          1HB       LEU  29   2.247  -3.516   4.283
  237    HG   LEU  29           HG       LEU  29   1.797  -6.305   4.996
  238   1HD1  LEU  29          1HD1      LEU  29   2.961  -6.413   7.048
  239   2HD1  LEU  29          2HD1      LEU  29   3.347  -4.693   7.020
  240   3HD1  LEU  29          3HD1      LEU  29   4.159  -5.795   5.911
  241   1HD2  LEU  29          1HD2      LEU  29   0.678  -3.774   5.436
  242   2HD2  LEU  29          2HD2      LEU  29   1.249  -4.286   7.022
  243   3HD2  LEU  29          3HD2      LEU  29   0.119  -5.298   6.124
  244    H    CYS  30           H        CYS  30   1.732  -2.828   1.995
  245    HA   CYS  30           HA       CYS  30   3.377  -3.106  -0.432
  246   1HB   CYS  30          2HB       CYS  30   2.002  -1.450  -1.254
  247   2HB   CYS  30          1HB       CYS  30   0.944  -2.153  -0.051
  248    H    ASN  31           H        ASN  31   5.408  -2.354  -0.554
  249    HA   ASN  31           HA       ASN  31   6.347  -0.415   1.523
  250   1HB   ASN  31          2HB       ASN  31   7.332  -2.813   0.944
  251   2HB   ASN  31          1HB       ASN  31   8.130  -1.931  -0.358
  252   1HD2  ASN  31          1HD2      ASN  31   8.048   0.544   1.576
  253   2HD2  ASN  31          2HD2      ASN  31   9.385   0.279   2.586
  254    H    PHE  32           H        PHE  32   8.713  -0.046  -0.445
  255    HA   PHE  32           HA       PHE  32   7.483   2.226  -1.903
  256   1HB   PHE  32          2HB       PHE  32  10.005   1.556  -0.676
  257   2HB   PHE  32          1HB       PHE  32  10.276   2.013  -2.354
  258    HD1  PHE  32           1HD      PHE  32   7.548   3.199  -0.111
  259    HD2  PHE  32           2HD      PHE  32  11.211   4.187  -2.127
  260    HE1  PHE  32           1HE      PHE  32   7.231   5.587   0.482
  261    HE2  PHE  32           2HE      PHE  32  10.895   6.575  -1.533
  262    HZ   PHE  32           HZ       PHE  32   8.906   7.275  -0.229
  263    H    SER  33           H        SER  33   9.221   2.397  -4.054
  264    HA   SER  33           HA       SER  33   8.833  -0.155  -5.574
  265   1HB   SER  33          2HB       SER  33   6.979   1.410  -6.014
  266   2HB   SER  33          1HB       SER  33   8.134   2.674  -6.426
  267    HG   SER  33           HG       SER  33   7.968   0.155  -7.728
  268    H    PHE  34           H        PHE  34  10.932  -0.726  -6.068
  269    HA   PHE  34           HA       PHE  34  13.024   1.298  -6.472
  270   1HB   PHE  34          2HB       PHE  34  12.731  -1.607  -6.089
  271   2HB   PHE  34          1HB       PHE  34  14.038  -1.167  -7.189
  272    HD1  PHE  34           1HD      PHE  34  12.583  -0.143  -3.875
  273    HD2  PHE  34           2HD      PHE  34  16.120  -0.603  -6.303
  274    HE1  PHE  34           1HE      PHE  34  14.002   0.516  -1.937
  275    HE2  PHE  34           2HE      PHE  34  17.536   0.056  -4.366
  276    HZ   PHE  34           HZ       PHE  34  16.479   0.617  -2.183
  277   1HN   NH2  35          1HN       NH2  35  13.952   1.994  -8.488
  278   2HN   NH2  35          2HN       NH2  35  13.350   1.416 -10.066
  Start of MODEL   18
    1   1H    GLY   1          1HT       GLY   1  -9.417   6.944  -2.510
    2   2H    GLY   1          2HT       GLY   1 -10.295   5.792  -1.622
    3   3H    GLY   1          3HT       GLY   1  -9.011   5.301  -2.621
    4   1HA   GLY   1          2HA       GLY   1  -7.801   7.086  -0.999
    5   2HA   GLY   1          1HA       GLY   1  -8.966   6.306   0.074
    6    H    CYS   2           H        CYS   2  -6.155   5.776  -1.965
    7    HA   CYS   2           HA       CYS   2  -5.926   2.962  -1.857
    8   1HB   CYS   2          2HB       CYS   2  -3.457   3.520  -2.049
    9   2HB   CYS   2          1HB       CYS   2  -4.490   4.341  -3.217
   10    H    LEU   3           H        LEU   3  -3.640   2.284  -0.504
   11    HA   LEU   3           HA       LEU   3  -4.545   2.386   2.318
   12   1HB   LEU   3          2HB       LEU   3  -2.327   0.806   0.987
   13   2HB   LEU   3          1HB       LEU   3  -3.086   0.466   2.537
   14    HG   LEU   3           HG       LEU   3  -4.554   0.465  -0.110
   15   1HD1  LEU   3          1HD1      LEU   3  -3.727  -1.910   1.578
   16   2HD1  LEU   3          2HD1      LEU   3  -2.812  -1.355   0.177
   17   3HD1  LEU   3          3HD1      LEU   3  -4.464  -1.938  -0.024
   18   1HD2  LEU   3          1HD2      LEU   3  -5.351  -0.523   2.648
   19   2HD2  LEU   3          2HD2      LEU   3  -6.349  -0.585   1.195
   20   3HD2  LEU   3          3HD2      LEU   3  -5.923   0.971   1.907
   21    H    GLU   4           H        GLU   4  -1.818   1.741   3.242
   22    HA   GLU   4           HA       GLU   4  -0.653   4.502   3.198
   23   1HB   GLU   4          2HB       GLU   4  -1.617   3.443   5.320
   24   2HB   GLU   4          1HB       GLU   4  -0.287   2.290   5.241
   25   1HG   GLU   4          2HG       GLU   4   1.348   4.016   5.506
   26   2HG   GLU   4          1HG       GLU   4   0.150   5.284   5.242
   27    H    PHE   5           H        PHE   5   1.827   4.331   3.773
   28    HA   PHE   5           HA       PHE   5   3.220   3.120   1.619
   29   1HB   PHE   5          2HB       PHE   5   3.721   4.977   3.486
   30   2HB   PHE   5          1HB       PHE   5   4.566   3.624   4.235
   31    HD1  PHE   5           1HD      PHE   5   4.579   6.058   1.540
   32    HD2  PHE   5           2HD      PHE   5   6.379   2.428   2.963
   33    HE1  PHE   5           1HE      PHE   5   6.479   6.390  -0.020
   34    HE2  PHE   5           2HE      PHE   5   8.278   2.758   1.403
   35    HZ   PHE   5           HZ       PHE   5   8.329   4.739  -0.087
   36    H    TRP   6           H        TRP   6   1.930   1.603   4.404
   37    HA   TRP   6           HA       TRP   6   3.412  -0.890   3.774
   38   1HB   TRP   6          2HB       TRP   6   4.687   0.566   5.440
   39   2HB   TRP   6          1HB       TRP   6   3.348   0.315   6.558
   40    HD1  TRP   6           HD       TRP   6   3.421  -1.788   7.983
   41    HE1  TRP   6           1HE      TRP   6   4.832  -3.944   8.003
   42    HE3  TRP   6           3HE      TRP   6   6.041  -1.167   3.645
   43    HZ2  TRP   6           2HZ      TRP   6   6.810  -5.236   6.394
   44    HZ3  TRP   6           3HZ      TRP   6   7.683  -2.876   2.913
   45    HH2  TRP   6           HH       TRP   6   8.069  -4.908   4.280
   46    H    TRP   7           H        TRP   7   0.829  -0.744   3.195
   47    HA   TRP   7           HA       TRP   7  -0.658  -1.895   5.535
   48   1HB   TRP   7          2HB       TRP   7  -1.292  -0.025   3.310
   49   2HB   TRP   7          1HB       TRP   7  -2.568  -1.156   3.760
   50    HD1  TRP   7           HD       TRP   7  -0.256  -0.207   6.531
   51    HE1  TRP   7           1HE      TRP   7  -1.459   1.381   8.172
   52    HE3  TRP   7           3HE      TRP   7  -4.434   0.869   3.807
   53    HZ2  TRP   7           2HZ      TRP   7  -3.875   2.907   8.305
   54    HZ3  TRP   7           3HZ      TRP   7  -6.168   2.390   4.709
   55    HH2  TRP   7           HH       TRP   7  -5.895   3.411   6.953
   56    H    LYS   8           H        LYS   8  -2.479  -3.443   4.662
   57    HA   LYS   8           HA       LYS   8  -1.443  -5.763   3.540
   58   1HB   LYS   8          2HB       LYS   8  -4.181  -4.790   2.746
   59   2HB   LYS   8          1HB       LYS   8  -3.682  -6.417   3.181
   60   1HG   LYS   8          2HG       LYS   8  -3.173  -5.406   5.522
   61   2HG   LYS   8          1HG       LYS   8  -4.202  -4.073   4.995
   62   1HD   LYS   8          2HD       LYS   8  -5.557  -6.460   4.289
   63   2HD   LYS   8          1HD       LYS   8  -4.987  -6.675   5.946
   64   1HE   LYS   8          2HE       LYS   8  -5.912  -4.144   6.146
   65   2HE   LYS   8          1HE       LYS   8  -6.996  -4.754   4.878
   66   1HZ   LYS   8          1HZ       LYS   8  -7.618  -5.208   7.317
   67   2HZ   LYS   8          2HZ       LYS   8  -6.394  -6.384   7.263
   68   3HZ   LYS   8          3HZ       LYS   8  -7.722  -6.489   6.210
   69    H    CYS   9           H        CYS   9  -1.367  -6.598   1.354
   70    HA   CYS   9           HA       CYS   9  -1.932  -4.762  -0.890
   71   1HB   CYS   9          2HB       CYS   9   0.389  -4.535  -1.538
   72   2HB   CYS   9          1HB       CYS   9   0.263  -4.084   0.163
   73    H    ASN  10           H        ASN  10  -0.867  -5.835  -2.972
   74    HA   ASN  10           HA       ASN  10  -0.652  -8.763  -2.893
   75   1HB   ASN  10          2HB       ASN  10  -3.133  -8.055  -2.779
   76   2HB   ASN  10          1HB       ASN  10  -2.926  -7.512  -4.444
   77   1HD2  ASN  10          1HD2      ASN  10  -4.698  -9.669  -3.821
   78   2HD2  ASN  10          2HD2      ASN  10  -4.054 -11.100  -4.467
   79    HA   PRO  11           HA       PRO  11   1.862  -7.380  -6.315
   80   1HB   PRO  11          2HB       PRO  11   2.703  -9.881  -7.079
   81   2HB   PRO  11          1HB       PRO  11   3.391  -9.003  -5.697
   82   1HG   PRO  11          2HG       PRO  11   1.307 -11.143  -5.725
   83   2HG   PRO  11          1HG       PRO  11   2.694 -10.937  -4.640
   84   1HD   PRO  11          2HD       PRO  11   0.204 -10.237  -3.896
   85   2HD   PRO  11          1HD       PRO  11   1.633  -9.314  -3.371
   86    H    ASN  12           H        ASN  12  -0.927  -9.370  -6.371
   87    HA   ASN  12           HA       ASN  12  -1.001  -9.510  -9.347
   88   1HB   ASN  12          2HB       ASN  12  -1.546 -11.408  -7.647
   89   2HB   ASN  12          1HB       ASN  12  -3.058 -10.539  -7.389
   90   1HD2  ASN  12          1HD2      ASN  12  -4.338 -12.232  -8.421
   91   2HD2  ASN  12          2HD2      ASN  12  -4.285 -12.483 -10.099
   92    H    ASP  13           H        ASP  13  -2.080  -7.593  -6.742
   93    HA   ASP  13           HA       ASP  13  -3.558  -5.783  -8.475
   94   1HB   ASP  13          2HB       ASP  13  -5.703  -6.171  -7.074
   95   2HB   ASP  13          1HB       ASP  13  -5.309  -7.392  -8.284
   96    H    ASP  14           H        ASP  14  -1.390  -5.255  -6.931
   97    HA   ASP  14           HA       ASP  14  -1.627  -4.608  -4.224
   98   1HB   ASP  14          2HB       ASP  14   0.029  -2.744  -4.911
   99   2HB   ASP  14          1HB       ASP  14   0.468  -4.402  -5.320
  100    H    LYS  15           H        LYS  15  -2.759  -3.082  -3.084
  101    HA   LYS  15           HA       LYS  15  -4.355  -1.091  -4.643
  102   1HB   LYS  15          2HB       LYS  15  -5.627  -2.650  -3.265
  103   2HB   LYS  15          1HB       LYS  15  -4.627  -2.274  -1.860
  104   1HG   LYS  15          2HG       LYS  15  -5.501  -0.076  -1.687
  105   2HG   LYS  15          1HG       LYS  15  -6.180  -0.131  -3.313
  106   1HD   LYS  15          2HD       LYS  15  -7.442  -2.258  -2.172
  107   2HD   LYS  15          1HD       LYS  15  -7.273  -1.191  -0.777
  108   1HE   LYS  15          2HE       LYS  15  -8.435  -0.322  -3.449
  109   2HE   LYS  15          1HE       LYS  15  -9.401  -0.772  -2.029
  110   1HZ   LYS  15          1HZ       LYS  15  -9.012   1.605  -2.037
  111   2HZ   LYS  15          2HZ       LYS  15  -7.333   1.361  -2.137
  112   3HZ   LYS  15          3HZ       LYS  15  -8.181   0.894  -0.740
  113    H    CYS  16           H        CYS  16  -1.704  -1.408  -2.446
  114    HA   CYS  16           HA       CYS  16  -1.694   0.871  -0.869
  115   1HB   CYS  16          2HB       CYS  16   0.099  -0.932  -1.203
  116   2HB   CYS  16          1HB       CYS  16   0.648   0.006  -2.594
  117    H    CYS  17           H        CYS  17  -1.196   3.102  -1.227
  118    HA   CYS  17           HA       CYS  17  -2.135   4.416  -3.492
  119   1HB   CYS  17          2HB       CYS  17   0.266   5.190  -1.796
  120   2HB   CYS  17          1HB       CYS  17  -0.776   6.292  -2.692
  121    H    ARG  18           H        ARG  18  -0.762   5.550  -5.239
  122    HA   ARG  18           HA       ARG  18   1.330   3.627  -6.166
  123   1HB   ARG  18          2HB       ARG  18   0.739   4.902  -8.407
  124   2HB   ARG  18          1HB       ARG  18  -0.313   3.632  -7.789
  125   1HG   ARG  18          2HG       ARG  18  -0.809   6.434  -6.866
  126   2HG   ARG  18          1HG       ARG  18  -1.290   6.001  -8.507
  127   1HD   ARG  18          2HD       ARG  18  -2.651   4.145  -7.666
  128   2HD   ARG  18          1HD       ARG  18  -2.120   4.480  -6.007
  129    HE   ARG  18           HE       ARG  18  -3.087   6.889  -6.610
  130   1HH1  ARG  18          1HH1      ARG  18  -4.800   4.576  -5.418
  131   2HH1  ARG  18          2HH1      ARG  18  -6.225   4.726  -6.393
  132   1HH2  ARG  18          1HH2      ARG  18  -4.710   6.745  -8.770
  133   2HH2  ARG  18          2HH2      ARG  18  -6.173   5.952  -8.291
  134    HA   PRO  19           HA       PRO  19   3.303   7.938  -6.044
  135   1HB   PRO  19          2HB       PRO  19   3.970   8.444  -3.443
  136   2HB   PRO  19          1HB       PRO  19   2.461   9.020  -4.176
  137   1HG   PRO  19          2HG       PRO  19   2.914   6.785  -2.304
  138   2HG   PRO  19          1HG       PRO  19   1.505   7.830  -2.499
  139   1HD   PRO  19          2HD       PRO  19   1.730   5.222  -3.455
  140   2HD   PRO  19          1HD       PRO  19   0.535   6.430  -3.973
  141    H    LYS  20           H        LYS  20   4.288   5.503  -6.652
  142    HA   LYS  20           HA       LYS  20   6.383   4.445  -6.889
  143   1HB   LYS  20          2HB       LYS  20   7.311   6.282  -4.663
  144   2HB   LYS  20          1HB       LYS  20   8.303   5.470  -5.869
  145   1HG   LYS  20          2HG       LYS  20   7.326   6.792  -7.655
  146   2HG   LYS  20          1HG       LYS  20   6.184   7.533  -6.536
  147   1HD   LYS  20          2HD       LYS  20   8.204   8.386  -5.236
  148   2HD   LYS  20          1HD       LYS  20   9.188   7.878  -6.610
  149   1HE   LYS  20          2HE       LYS  20   6.783   9.682  -6.976
  150   2HE   LYS  20          1HE       LYS  20   8.400  10.331  -6.634
  151   1HZ   LYS  20          1HZ       LYS  20   7.681   9.855  -9.084
  152   2HZ   LYS  20          2HZ       LYS  20   8.099   8.256  -8.690
  153   3HZ   LYS  20          3HZ       LYS  20   9.256   9.494  -8.571
  154    H    LEU  21           H        LEU  21   4.574   3.000  -5.559
  155    HA   LEU  21           HA       LEU  21   6.163   1.747  -3.356
  156   1HB   LEU  21          2HB       LEU  21   3.245   2.547  -3.327
  157   2HB   LEU  21          1HB       LEU  21   3.937   1.428  -2.163
  158    HG   LEU  21           HG       LEU  21   5.641   3.718  -2.301
  159   1HD1  LEU  21          1HD1      LEU  21   3.883   5.099  -3.095
  160   2HD1  LEU  21          2HD1      LEU  21   3.876   5.338  -1.347
  161   3HD1  LEU  21          3HD1      LEU  21   2.682   4.279  -2.097
  162   1HD2  LEU  21          1HD2      LEU  21   4.272   3.826   0.105
  163   2HD2  LEU  21          2HD2      LEU  21   5.712   2.855  -0.201
  164   3HD2  LEU  21          3HD2      LEU  21   4.112   2.131  -0.357
  165    H    LYS  22           H        LYS  22   5.217  -0.498  -2.899
  166    HA   LYS  22           HA       LYS  22   3.571  -1.714  -4.946
  167   1HB   LYS  22          2HB       LYS  22   6.093  -1.329  -5.726
  168   2HB   LYS  22          1HB       LYS  22   6.347  -2.821  -4.819
  169   1HG   LYS  22          2HG       LYS  22   3.980  -3.084  -6.437
  170   2HG   LYS  22          1HG       LYS  22   5.324  -2.558  -7.450
  171   1HD   LYS  22          2HD       LYS  22   6.157  -4.604  -5.556
  172   2HD   LYS  22          1HD       LYS  22   4.836  -5.169  -6.578
  173   1HE   LYS  22          2HE       LYS  22   6.068  -4.771  -8.581
  174   2HE   LYS  22          1HE       LYS  22   7.270  -3.778  -7.731
  175   1HZ   LYS  22          1HZ       LYS  22   7.870  -6.205  -8.173
  176   2HZ   LYS  22          2HZ       LYS  22   6.754  -6.582  -6.948
  177   3HZ   LYS  22          3HZ       LYS  22   8.110  -5.618  -6.600
  178    H    CYS  23           H        CYS  23   2.693  -3.645  -4.190
  179    HA   CYS  23           HA       CYS  23   2.671  -4.342  -1.498
  180   1HB   CYS  23          2HB       CYS  23   1.118  -5.214  -3.195
  181   2HB   CYS  23          1HB       CYS  23   2.428  -6.122  -3.948
  182    H    SER  24           H        SER  24   3.804  -5.857  -0.237
  183    HA   SER  24           HA       SER  24   6.322  -6.990  -1.380
  184   1HB   SER  24          2HB       SER  24   5.809  -5.075   0.824
  185   2HB   SER  24          1HB       SER  24   6.993  -6.331   1.172
  186    HG   SER  24           HG       SER  24   8.179  -4.815   0.190
  187    H    LYS  25           H        LYS  25   5.956  -9.182  -1.209
  188    HA   LYS  25           HA       LYS  25   4.153 -10.458   0.593
  189   1HB   LYS  25          2HB       LYS  25   6.678 -11.534  -0.709
  190   2HB   LYS  25          1HB       LYS  25   5.296 -12.487  -0.168
  191   1HG   LYS  25          2HG       LYS  25   4.017 -11.904  -1.968
  192   2HG   LYS  25          1HG       LYS  25   4.670 -10.267  -2.029
  193   1HD   LYS  25          2HD       LYS  25   6.886 -11.579  -2.736
  194   2HD   LYS  25          1HD       LYS  25   5.707 -12.770  -3.285
  195   1HE   LYS  25          2HE       LYS  25   4.609 -10.410  -4.209
  196   2HE   LYS  25          1HE       LYS  25   6.349 -10.138  -4.426
  197   1HZ   LYS  25          1HZ       LYS  25   4.637 -12.212  -5.584
  198   2HZ   LYS  25          2HZ       LYS  25   6.237 -12.633  -5.199
  199   3HZ   LYS  25          3HZ       LYS  25   5.928 -11.364  -6.285
  200    H    LEU  26           H        LEU  26   7.328  -9.171   1.071
  201    HA   LEU  26           HA       LEU  26   8.557 -10.664   3.033
  202   1HB   LEU  26          2HB       LEU  26   8.020  -7.677   2.912
  203   2HB   LEU  26          1HB       LEU  26   9.236  -8.415   3.953
  204    HG   LEU  26           HG       LEU  26   9.141  -8.497   0.928
  205   1HD1  LEU  26          1HD1      LEU  26  11.625  -7.669   2.147
  206   2HD1  LEU  26          2HD1      LEU  26  10.296  -6.696   2.775
  207   3HD1  LEU  26          3HD1      LEU  26  10.586  -6.774   1.038
  208   1HD2  LEU  26          1HD2      LEU  26  10.012 -10.597   1.350
  209   2HD2  LEU  26          2HD2      LEU  26  10.609 -10.142   2.946
  210   3HD2  LEU  26          3HD2      LEU  26  11.488  -9.644   1.501
  211    H    PHE  27           H        PHE  27   5.760  -8.509   3.467
  212    HA   PHE  27           HA       PHE  27   5.073 -10.000   5.952
  213   1HB   PHE  27          2HB       PHE  27   5.522  -7.031   5.615
  214   2HB   PHE  27          1HB       PHE  27   4.590  -7.699   6.958
  215    HD1  PHE  27           1HD      PHE  27   7.913  -7.269   5.514
  216    HD2  PHE  27           2HD      PHE  27   5.651  -9.268   8.566
  217    HE1  PHE  27           1HE      PHE  27  10.015  -7.849   6.691
  218    HE2  PHE  27           2HE      PHE  27   7.748  -9.847   9.746
  219    HZ   PHE  27           HZ       PHE  27   9.936  -9.138   8.811
  220    H    LYS  28           H        LYS  28   4.090  -9.324   2.998
  221    HA   LYS  28           HA       LYS  28   1.926  -9.392   2.019
  222   1HB   LYS  28          2HB       LYS  28   0.736  -9.131   4.772
  223   2HB   LYS  28          1HB       LYS  28   0.155 -10.073   3.402
  224   1HG   LYS  28          2HG       LYS  28   2.640 -11.188   3.901
  225   2HG   LYS  28          1HG       LYS  28   2.042 -10.823   5.519
  226   1HD   LYS  28          2HD       LYS  28  -0.156 -11.895   4.094
  227   2HD   LYS  28          1HD       LYS  28   1.223 -12.937   3.733
  228   1HE   LYS  28          2HE       LYS  28   1.562 -13.488   6.000
  229   2HE   LYS  28          1HE       LYS  28   0.645 -12.081   6.573
  230   1HZ   LYS  28          1HZ       LYS  28  -0.364 -14.556   5.320
  231   2HZ   LYS  28          2HZ       LYS  28  -1.265 -13.120   5.231
  232   3HZ   LYS  28          3HZ       LYS  28  -0.888 -13.797   6.743
  233    H    LEU  29           H        LEU  29   3.439  -6.896   3.073
  234    HA   LEU  29           HA       LEU  29   1.085  -5.032   2.935
  235   1HB   LEU  29          2HB       LEU  29   3.719  -4.392   4.263
  236   2HB   LEU  29          1HB       LEU  29   2.138  -3.669   4.551
  237    HG   LEU  29           HG       LEU  29   2.863  -6.536   5.216
  238   1HD1  LEU  29          1HD1      LEU  29   2.499  -5.546   7.603
  239   2HD1  LEU  29          2HD1      LEU  29   2.817  -3.994   6.829
  240   3HD1  LEU  29          3HD1      LEU  29   4.042  -5.262   6.797
  241   1HD2  LEU  29          1HD2      LEU  29   0.466  -4.953   6.150
  242   2HD2  LEU  29          2HD2      LEU  29   0.701  -6.701   6.177
  243   3HD2  LEU  29          3HD2      LEU  29   0.428  -5.871   4.645
  244    H    CYS  30           H        CYS  30   1.913  -2.758   2.162
  245    HA   CYS  30           HA       CYS  30   3.491  -3.250  -0.295
  246   1HB   CYS  30          2HB       CYS  30   2.287  -1.441  -1.148
  247   2HB   CYS  30          1HB       CYS  30   1.135  -2.159  -0.036
  248    H    ASN  31           H        ASN  31   5.268  -1.955  -0.869
  249    HA   ASN  31           HA       ASN  31   6.400  -0.197   1.278
  250   1HB   ASN  31          2HB       ASN  31   7.260  -2.667   1.043
  251   2HB   ASN  31          1HB       ASN  31   8.097  -2.053  -0.382
  252   1HD2  ASN  31          1HD2      ASN  31   7.492  -0.388   2.756
  253   2HD2  ASN  31          2HD2      ASN  31   9.133  -0.140   3.109
  254    H    PHE  32           H        PHE  32   8.853  -0.155  -0.617
  255    HA   PHE  32           HA       PHE  32   8.010   2.180  -2.149
  256   1HB   PHE  32          2HB       PHE  32  10.436   0.773  -1.337
  257   2HB   PHE  32          1HB       PHE  32  10.537   1.333  -3.005
  258    HD1  PHE  32           1HD      PHE  32  11.512   2.267   0.090
  259    HD2  PHE  32           2HD      PHE  32   9.116   3.801  -3.127
  260    HE1  PHE  32           1HE      PHE  32  11.920   4.580   0.891
  261    HE2  PHE  32           2HE      PHE  32   9.522   6.114  -2.327
  262    HZ   PHE  32           HZ       PHE  32  10.924   6.502  -0.318
  263    H    SER  33           H        SER  33   9.468   1.792  -4.541
  264    HA   SER  33           HA       SER  33   8.220  -0.586  -5.838
  265   1HB   SER  33          2HB       SER  33   6.791   1.548  -5.925
  266   2HB   SER  33          1HB       SER  33   8.044   2.213  -6.971
  267    HG   SER  33           HG       SER  33   7.660   0.004  -8.076
  268    H    PHE  34           H        PHE  34  10.461   2.153  -6.077
  269    HA   PHE  34           HA       PHE  34  12.121   0.523  -7.972
  270   1HB   PHE  34          2HB       PHE  34  10.929   3.164  -8.162
  271   2HB   PHE  34          1HB       PHE  34  12.683   3.259  -8.326
  272    HD1  PHE  34           1HD      PHE  34  10.154   0.670  -9.343
  273    HD2  PHE  34           2HD      PHE  34  13.270   3.383 -10.576
  274    HE1  PHE  34           1HE      PHE  34   9.987  -0.198 -11.671
  275    HE2  PHE  34           2HE      PHE  34  13.105   2.515 -12.905
  276    HZ   PHE  34           HZ       PHE  34  11.462   0.724 -13.452
  277   1HN   NH2  35          1HN       NH2  35  14.344   2.500  -8.007
  278   2HN   NH2  35          2HN       NH2  35  15.113   2.438  -6.397
  Start of MODEL   19
    1   1H    GLY   1          1HT       GLY   1  -9.987   5.216  -1.930
    2   2H    GLY   1          2HT       GLY   1  -9.028   5.649  -3.264
    3   3H    GLY   1          3HT       GLY   1 -10.020   6.807  -2.516
    4   1HA   GLY   1          2HA       GLY   1  -7.734   7.151  -1.862
    5   2HA   GLY   1          1HA       GLY   1  -8.704   6.638  -0.482
    6    H    CYS   2           H        CYS   2  -5.935   5.940  -2.318
    7    HA   CYS   2           HA       CYS   2  -5.690   3.124  -2.115
    8   1HB   CYS   2          2HB       CYS   2  -3.222   3.702  -2.152
    9   2HB   CYS   2          1HB       CYS   2  -4.174   4.465  -3.422
   10    H    LEU   3           H        LEU   3  -3.562   2.441  -0.605
   11    HA   LEU   3           HA       LEU   3  -4.572   2.767   2.173
   12   1HB   LEU   3          2HB       LEU   3  -2.752   0.818   0.736
   13   2HB   LEU   3          1HB       LEU   3  -3.054   0.747   2.470
   14    HG   LEU   3           HG       LEU   3  -5.571   0.799   1.791
   15   1HD1  LEU   3          1HD1      LEU   3  -5.854  -0.423  -0.438
   16   2HD1  LEU   3          2HD1      LEU   3  -4.181   0.022  -0.779
   17   3HD1  LEU   3          3HD1      LEU   3  -5.396   1.277  -0.540
   18   1HD2  LEU   3          1HD2      LEU   3  -5.384  -1.755   1.290
   19   2HD2  LEU   3          2HD2      LEU   3  -4.787  -1.159   2.839
   20   3HD2  LEU   3          3HD2      LEU   3  -3.654  -1.513   1.534
   21    H    GLU   4           H        GLU   4  -2.118   2.012   3.439
   22    HA   GLU   4           HA       GLU   4  -0.705   4.610   3.357
   23   1HB   GLU   4          2HB       GLU   4  -1.588   3.178   5.387
   24   2HB   GLU   4          1HB       GLU   4  -0.069   2.308   5.177
   25   1HG   GLU   4          2HG       GLU   4   1.014   3.947   6.269
   26   2HG   GLU   4          1HG       GLU   4   0.512   5.094   5.026
   27    H    PHE   5           H        PHE   5   1.820   4.091   4.030
   28    HA   PHE   5           HA       PHE   5   2.998   2.977   1.601
   29   1HB   PHE   5          2HB       PHE   5   4.222   4.778   2.324
   30   2HB   PHE   5          1HB       PHE   5   3.767   4.535   4.006
   31    HD1  PHE   5           1HD      PHE   5   4.924   2.716   5.344
   32    HD2  PHE   5           2HD      PHE   5   6.291   3.968   1.469
   33    HE1  PHE   5           1HE      PHE   5   7.135   1.684   5.790
   34    HE2  PHE   5           2HE      PHE   5   8.501   2.936   1.914
   35    HZ   PHE   5           HZ       PHE   5   8.924   1.793   4.075
   36    H    TRP   6           H        TRP   6   1.717   1.403   4.168
   37    HA   TRP   6           HA       TRP   6   3.390  -0.978   3.732
   38   1HB   TRP   6          2HB       TRP   6   4.599   0.511   5.389
   39   2HB   TRP   6          1HB       TRP   6   3.227   0.310   6.476
   40    HD1  TRP   6           HD       TRP   6   3.430  -1.617   8.103
   41    HE1  TRP   6           1HE      TRP   6   4.768  -3.819   8.210
   42    HE3  TRP   6           3HE      TRP   6   5.760  -1.460   3.558
   43    HZ2  TRP   6           2HZ      TRP   6   6.587  -5.312   6.586
   44    HZ3  TRP   6           3HZ      TRP   6   7.289  -3.283   2.868
   45    HH2  TRP   6           HH       TRP   6   7.704  -5.206   4.375
   46    H    TRP   7           H        TRP   7   0.733  -0.785   3.152
   47    HA   TRP   7           HA       TRP   7  -0.688  -2.058   5.468
   48   1HB   TRP   7          2HB       TRP   7  -1.408  -0.243   3.215
   49   2HB   TRP   7          1HB       TRP   7  -2.628  -1.423   3.694
   50    HD1  TRP   7           HD       TRP   7  -0.363  -0.292   6.447
   51    HE1  TRP   7           1HE      TRP   7  -1.641   1.285   8.039
   52    HE3  TRP   7           3HE      TRP   7  -4.586   0.501   3.693
   53    HZ2  TRP   7           2HZ      TRP   7  -4.132   2.697   8.128
   54    HZ3  TRP   7           3HZ      TRP   7  -6.393   1.963   4.550
   55    HH2  TRP   7           HH       TRP   7  -6.171   3.062   6.761
   56    H    LYS   8           H        LYS   8  -2.208  -3.866   4.787
   57    HA   LYS   8           HA       LYS   8  -1.032  -6.014   3.538
   58   1HB   LYS   8          2HB       LYS   8  -3.565  -6.412   2.721
   59   2HB   LYS   8          1HB       LYS   8  -3.085  -6.576   4.400
   60   1HG   LYS   8          2HG       LYS   8  -3.800  -3.825   3.578
   61   2HG   LYS   8          1HG       LYS   8  -5.131  -4.980   3.535
   62   1HD   LYS   8          2HD       LYS   8  -3.385  -5.075   5.938
   63   2HD   LYS   8          1HD       LYS   8  -4.429  -3.661   5.780
   64   1HE   LYS   8          2HE       LYS   8  -5.924  -5.087   6.830
   65   2HE   LYS   8          1HE       LYS   8  -6.221  -5.587   5.154
   66   1HZ   LYS   8          1HZ       LYS   8  -5.688  -7.485   6.604
   67   2HZ   LYS   8          2HZ       LYS   8  -4.177  -6.787   6.950
   68   3HZ   LYS   8          3HZ       LYS   8  -4.543  -7.285   5.368
   69    H    CYS   9           H        CYS   9  -1.082  -6.885   1.375
   70    HA   CYS   9           HA       CYS   9  -1.962  -5.131  -0.835
   71   1HB   CYS   9          2HB       CYS   9   0.274  -4.730  -1.667
   72   2HB   CYS   9          1HB       CYS   9   0.241  -4.256   0.031
   73    H    ASN  10           H        ASN  10  -1.167  -6.135  -2.991
   74    HA   ASN  10           HA       ASN  10  -0.610  -9.025  -2.935
   75   1HB   ASN  10          2HB       ASN  10  -3.069  -8.725  -2.472
   76   2HB   ASN  10          1HB       ASN  10  -3.218  -7.927  -4.038
   77   1HD2  ASN  10          1HD2      ASN  10  -4.734 -10.173  -3.839
   78   2HD2  ASN  10          2HD2      ASN  10  -4.032 -11.480  -4.662
   79    HA   PRO  11           HA       PRO  11   1.326  -7.422  -6.618
   80   1HB   PRO  11          2HB       PRO  11   2.273  -9.844  -7.515
   81   2HB   PRO  11          1HB       PRO  11   3.056  -8.903  -6.226
   82   1HG   PRO  11          2HG       PRO  11   1.174 -11.213  -6.002
   83   2HG   PRO  11          1HG       PRO  11   2.670 -10.891  -5.107
   84   1HD   PRO  11          2HD       PRO  11   0.264 -10.401  -4.023
   85   2HD   PRO  11          1HD       PRO  11   1.659  -9.341  -3.706
   86    H    ASN  12           H        ASN  12  -1.328  -9.530  -6.355
   87    HA   ASN  12           HA       ASN  12  -1.719  -9.683  -9.311
   88   1HB   ASN  12          2HB       ASN  12  -1.964 -11.579  -7.441
   89   2HB   ASN  12          1HB       ASN  12  -3.576 -10.878  -7.286
   90   1HD2  ASN  12          1HD2      ASN  12  -1.362 -12.438  -9.619
   91   2HD2  ASN  12          2HD2      ASN  12  -2.577 -12.896 -10.712
   92    H    ASP  13           H        ASP  13  -2.781  -8.039  -6.454
   93    HA   ASP  13           HA       ASP  13  -4.470  -6.225  -7.994
   94   1HB   ASP  13          2HB       ASP  13  -5.600  -8.621  -7.197
   95   2HB   ASP  13          1HB       ASP  13  -6.068  -7.528  -5.894
   96    H    ASP  14           H        ASP  14  -2.315  -5.551  -6.476
   97    HA   ASP  14           HA       ASP  14  -2.875  -5.024  -3.689
   98   1HB   ASP  14          2HB       ASP  14  -0.858  -3.520  -4.000
   99   2HB   ASP  14          1HB       ASP  14  -0.616  -5.178  -4.552
  100    H    LYS  15           H        LYS  15  -2.813  -2.612  -2.908
  101    HA   LYS  15           HA       LYS  15  -4.315  -0.806  -4.746
  102   1HB   LYS  15          2HB       LYS  15  -5.828  -2.273  -3.296
  103   2HB   LYS  15          1HB       LYS  15  -5.195  -1.384  -1.908
  104   1HG   LYS  15          2HG       LYS  15  -5.999   0.719  -2.815
  105   2HG   LYS  15          1HG       LYS  15  -6.489  -0.069  -4.314
  106   1HD   LYS  15          2HD       LYS  15  -7.853  -1.593  -2.551
  107   2HD   LYS  15          1HD       LYS  15  -7.811  -0.076  -1.652
  108   1HE   LYS  15          2HE       LYS  15  -9.686   0.373  -2.922
  109   2HE   LYS  15          1HE       LYS  15  -8.475   0.857  -4.123
  110   1HZ   LYS  15          1HZ       LYS  15  -8.718  -1.940  -4.171
  111   2HZ   LYS  15          2HZ       LYS  15  -9.092  -0.834  -5.403
  112   3HZ   LYS  15          3HZ       LYS  15 -10.277  -1.282  -4.272
  113    H    CYS  16           H        CYS  16  -1.684  -1.128  -2.821
  114    HA   CYS  16           HA       CYS  16  -1.688   1.096  -1.055
  115   1HB   CYS  16          2HB       CYS  16   0.023  -0.800  -1.390
  116   2HB   CYS  16          1HB       CYS  16   0.666   0.161  -2.722
  117    H    CYS  17           H        CYS  17  -1.143   3.311  -1.389
  118    HA   CYS  17           HA       CYS  17  -1.970   4.697  -3.631
  119   1HB   CYS  17          2HB       CYS  17   0.452   5.308  -1.902
  120   2HB   CYS  17          1HB       CYS  17  -0.490   6.484  -2.815
  121    H    ARG  18           H        ARG  18  -0.631   5.754  -5.404
  122    HA   ARG  18           HA       ARG  18   1.461   3.827  -6.347
  123   1HB   ARG  18          2HB       ARG  18  -0.935   4.742  -7.450
  124   2HB   ARG  18          1HB       ARG  18   0.321   5.602  -8.343
  125   1HG   ARG  18          2HG       ARG  18  -0.031   3.528  -9.493
  126   2HG   ARG  18          1HG       ARG  18   1.494   3.367  -8.619
  127   1HD   ARG  18          2HD       ARG  18   0.273   2.226  -6.756
  128   2HD   ARG  18          1HD       ARG  18  -1.208   2.292  -7.733
  129    HE   ARG  18           HE       ARG  18   1.231   1.049  -8.910
  130   1HH1  ARG  18          1HH1      ARG  18  -1.829   1.157  -9.753
  131   2HH1  ARG  18          2HH1      ARG  18  -2.224  -0.517  -9.541
  132   1HH2  ARG  18          1HH2      ARG  18   0.664  -1.246  -7.764
  133   2HH2  ARG  18          2HH2      ARG  18  -0.811  -1.878  -8.415
  134    HA   PRO  19           HA       PRO  19   3.221   8.246  -6.320
  135   1HB   PRO  19          2HB       PRO  19   4.325   8.510  -3.832
  136   2HB   PRO  19          1HB       PRO  19   2.675   9.046  -4.205
  137   1HG   PRO  19          2HG       PRO  19   3.595   6.607  -2.790
  138   2HG   PRO  19          1HG       PRO  19   2.158   7.601  -2.513
  139   1HD   PRO  19          2HD       PRO  19   2.162   5.180  -3.838
  140   2HD   PRO  19          1HD       PRO  19   0.918   6.437  -4.016
  141    H    LYS  20           H        LYS  20   4.216   5.239  -4.836
  142    HA   LYS  20           HA       LYS  20   6.435   4.666  -6.430
  143   1HB   LYS  20          2HB       LYS  20   6.857   6.854  -4.555
  144   2HB   LYS  20          1HB       LYS  20   7.995   5.539  -4.257
  145   1HG   LYS  20          2HG       LYS  20   8.902   5.661  -6.418
  146   2HG   LYS  20          1HG       LYS  20   7.494   6.508  -7.062
  147   1HD   LYS  20          2HD       LYS  20   8.154   8.558  -6.196
  148   2HD   LYS  20          1HD       LYS  20   9.083   7.822  -4.888
  149   1HE   LYS  20          2HE       LYS  20  10.240   6.970  -7.368
  150   2HE   LYS  20          1HE       LYS  20  10.065   8.736  -7.408
  151   1HZ   LYS  20          1HZ       LYS  20  11.198   7.187  -5.137
  152   2HZ   LYS  20          2HZ       LYS  20  11.071   8.878  -5.234
  153   3HZ   LYS  20          3HZ       LYS  20  12.119   8.042  -6.278
  154    H    LEU  21           H        LEU  21   4.374   3.368  -4.828
  155    HA   LEU  21           HA       LEU  21   6.075   1.766  -2.939
  156   1HB   LEU  21          2HB       LEU  21   3.068   2.174  -2.872
  157   2HB   LEU  21          1HB       LEU  21   4.085   1.527  -1.585
  158    HG   LEU  21           HG       LEU  21   4.550   4.310  -2.655
  159   1HD1  LEU  21          1HD1      LEU  21   2.883   3.889  -0.211
  160   2HD1  LEU  21          2HD1      LEU  21   2.101   3.720  -1.782
  161   3HD1  LEU  21          3HD1      LEU  21   2.888   5.238  -1.348
  162   1HD2  LEU  21          1HD2      LEU  21   5.992   2.800  -0.941
  163   2HD2  LEU  21          2HD2      LEU  21   4.860   3.526   0.199
  164   3HD2  LEU  21          3HD2      LEU  21   5.886   4.555  -0.801
  165    H    LYS  22           H        LYS  22   5.284  -0.542  -2.736
  166    HA   LYS  22           HA       LYS  22   3.637  -1.626  -4.872
  167   1HB   LYS  22          2HB       LYS  22   5.978  -1.115  -5.798
  168   2HB   LYS  22          1HB       LYS  22   6.554  -2.407  -4.746
  169   1HG   LYS  22          2HG       LYS  22   4.326  -3.501  -6.042
  170   2HG   LYS  22          1HG       LYS  22   5.177  -2.601  -7.299
  171   1HD   LYS  22          2HD       LYS  22   7.316  -3.729  -6.455
  172   2HD   LYS  22          1HD       LYS  22   6.262  -4.806  -5.539
  173   1HE   LYS  22          2HE       LYS  22   5.359  -4.558  -8.302
  174   2HE   LYS  22          1HE       LYS  22   7.029  -5.156  -8.206
  175   1HZ   LYS  22          1HZ       LYS  22   6.405  -7.006  -7.112
  176   2HZ   LYS  22          2HZ       LYS  22   4.885  -6.705  -7.809
  177   3HZ   LYS  22          3HZ       LYS  22   5.204  -6.213  -6.214
  178    H    CYS  23           H        CYS  23   2.737  -3.560  -4.163
  179    HA   CYS  23           HA       CYS  23   2.710  -4.471  -1.580
  180   1HB   CYS  23          2HB       CYS  23   1.366  -5.328  -3.506
  181   2HB   CYS  23          1HB       CYS  23   2.780  -6.221  -4.062
  182    H    SER  24           H        SER  24   3.965  -5.816  -0.273
  183    HA   SER  24           HA       SER  24   6.575  -6.780  -1.380
  184   1HB   SER  24          2HB       SER  24   5.915  -4.866   0.781
  185   2HB   SER  24          1HB       SER  24   7.153  -6.050   1.188
  186    HG   SER  24           HG       SER  24   8.242  -5.418  -0.738
  187    H    LYS  25           H        LYS  25   6.525  -8.977  -1.122
  188    HA   LYS  25           HA       LYS  25   4.750 -10.385   0.628
  189   1HB   LYS  25          2HB       LYS  25   7.157 -10.970  -1.056
  190   2HB   LYS  25          1HB       LYS  25   6.608 -12.212   0.071
  191   1HG   LYS  25          2HG       LYS  25   4.343 -12.100  -0.906
  192   2HG   LYS  25          1HG       LYS  25   4.893 -10.865  -2.038
  193   1HD   LYS  25          2HD       LYS  25   6.740 -12.687  -2.604
  194   2HD   LYS  25          1HD       LYS  25   5.518 -13.792  -1.974
  195   1HE   LYS  25          2HE       LYS  25   4.010 -12.156  -3.608
  196   2HE   LYS  25          1HE       LYS  25   5.535 -12.290  -4.506
  197   1HZ   LYS  25          1HZ       LYS  25   3.897 -14.155  -4.865
  198   2HZ   LYS  25          2HZ       LYS  25   4.198 -14.625  -3.260
  199   3HZ   LYS  25          3HZ       LYS  25   5.457 -14.629  -4.401
  200    H    LEU  26           H        LEU  26   7.828  -8.865   1.167
  201    HA   LEU  26           HA       LEU  26   9.078 -10.251   3.200
  202   1HB   LEU  26          2HB       LEU  26   8.483  -7.353   2.676
  203   2HB   LEU  26          1HB       LEU  26   9.309  -7.790   4.170
  204    HG   LEU  26           HG       LEU  26  10.853  -9.204   2.592
  205   1HD1  LEU  26          1HD1      LEU  26  10.075  -9.075   0.446
  206   2HD1  LEU  26          2HD1      LEU  26  10.973  -7.556   0.432
  207   3HD1  LEU  26          3HD1      LEU  26   9.235  -7.551   0.737
  208   1HD2  LEU  26          1HD2      LEU  26  11.303  -6.288   2.183
  209   2HD2  LEU  26          2HD2      LEU  26  12.398  -7.515   2.820
  210   3HD2  LEU  26          3HD2      LEU  26  11.139  -6.834   3.851
  211    H    PHE  27           H        PHE  27   6.177  -8.196   3.534
  212    HA   PHE  27           HA       PHE  27   5.530  -9.653   6.064
  213   1HB   PHE  27          2HB       PHE  27   5.811  -6.704   5.536
  214   2HB   PHE  27          1HB       PHE  27   4.736  -7.288   6.810
  215    HD1  PHE  27           1HD      PHE  27   8.188  -6.775   5.787
  216    HD2  PHE  27           2HD      PHE  27   5.648  -8.703   8.663
  217    HE1  PHE  27           1HE      PHE  27  10.137  -7.120   7.278
  218    HE2  PHE  27           2HE      PHE  27   7.594  -9.049  10.155
  219    HZ   PHE  27           HZ       PHE  27   9.843  -8.256   9.463
  220    H    LYS  28           H        LYS  28   4.552  -9.150   3.035
  221    HA   LYS  28           HA       LYS  28   2.425  -9.466   2.025
  222   1HB   LYS  28          2HB       LYS  28   1.168  -9.319   4.757
  223   2HB   LYS  28          1HB       LYS  28   0.715 -10.326   3.383
  224   1HG   LYS  28          2HG       LYS  28   3.333 -11.113   3.985
  225   2HG   LYS  28          1HG       LYS  28   2.564 -10.900   5.559
  226   1HD   LYS  28          2HD       LYS  28   1.512 -12.870   5.283
  227   2HD   LYS  28          1HD       LYS  28   0.672 -12.201   3.883
  228   1HE   LYS  28          2HE       LYS  28   1.808 -14.089   2.997
  229   2HE   LYS  28          1HE       LYS  28   2.892 -12.742   2.598
  230   1HZ   LYS  28          1HZ       LYS  28   4.308 -14.190   3.675
  231   2HZ   LYS  28          2HZ       LYS  28   3.123 -14.720   4.769
  232   3HZ   LYS  28          3HZ       LYS  28   3.825 -13.183   4.949
  233    H    LEU  29           H        LEU  29   3.638  -6.808   2.985
  234    HA   LEU  29           HA       LEU  29   1.099  -5.206   2.805
  235   1HB   LEU  29          2HB       LEU  29   3.658  -4.469   4.264
  236   2HB   LEU  29          1HB       LEU  29   2.115  -3.621   4.335
  237    HG   LEU  29           HG       LEU  29   1.948  -6.484   5.021
  238   1HD1  LEU  29          1HD1      LEU  29   3.176  -4.651   7.071
  239   2HD1  LEU  29          2HD1      LEU  29   4.199  -5.576   5.971
  240   3HD1  LEU  29          3HD1      LEU  29   3.100  -6.413   7.068
  241   1HD2  LEU  29          1HD2      LEU  29   0.240  -4.488   5.235
  242   2HD2  LEU  29          2HD2      LEU  29   1.107  -4.162   6.735
  243   3HD2  LEU  29          3HD2      LEU  29   0.309  -5.717   6.497
  244    H    CYS  30           H        CYS  30   1.767  -2.839   2.065
  245    HA   CYS  30           HA       CYS  30   3.369  -3.201  -0.392
  246   1HB   CYS  30          2HB       CYS  30   2.102  -1.411  -1.195
  247   2HB   CYS  30          1HB       CYS  30   0.980  -2.194  -0.100
  248    H    ASN  31           H        ASN  31   5.378  -2.352  -0.620
  249    HA   ASN  31           HA       ASN  31   6.338  -0.435   1.481
  250   1HB   ASN  31          2HB       ASN  31   7.265  -2.899   1.012
  251   2HB   ASN  31          1HB       ASN  31   8.170  -2.057  -0.247
  252   1HD2  ASN  31          1HD2      ASN  31   9.353  -3.237   2.179
  253   2HD2  ASN  31          2HD2      ASN  31  10.052  -1.959   3.051
  254    H    PHE  32           H        PHE  32   8.781  -0.061  -0.268
  255    HA   PHE  32           HA       PHE  32   7.666   2.113  -1.918
  256   1HB   PHE  32          2HB       PHE  32  10.057   1.542  -0.534
  257   2HB   PHE  32          1HB       PHE  32  10.499   1.593  -2.236
  258    HD1  PHE  32           1HD      PHE  32   8.213   3.471   0.087
  259    HD2  PHE  32           2HD      PHE  32  11.145   3.668  -3.047
  260    HE1  PHE  32           1HE      PHE  32   8.083   5.947   0.120
  261    HE2  PHE  32           2HE      PHE  32  11.015   6.142  -3.014
  262    HZ   PHE  32           HZ       PHE  32   9.483   7.283  -1.431
  263    H    SER  33           H        SER  33   9.459   2.113  -4.031
  264    HA   SER  33           HA       SER  33   8.629  -0.332  -5.560
  265   1HB   SER  33          2HB       SER  33   7.730   1.225  -6.931
  266   2HB   SER  33          1HB       SER  33   8.464   2.529  -6.002
  267    HG   SER  33           HG       SER  33   9.100   2.077  -8.347
  268    H    PHE  34           H        PHE  34  10.263  -0.274  -7.690
  269    HA   PHE  34           HA       PHE  34  13.050  -0.218  -6.577
  270   1HB   PHE  34          2HB       PHE  34  13.354  -2.284  -8.025
  271   2HB   PHE  34          1HB       PHE  34  12.247  -2.496  -6.669
  272    HD1  PHE  34           1HD      PHE  34   9.945  -3.000  -7.005
  273    HD2  PHE  34           2HD      PHE  34  12.421  -1.815 -10.331
  274    HE1  PHE  34           1HE      PHE  34   8.121  -3.621  -8.583
  275    HE2  PHE  34           2HE      PHE  34  10.598  -2.439 -11.910
  276    HZ   PHE  34           HZ       PHE  34   8.447  -3.341 -11.035
  277   1HN   NH2  35          1HN       NH2  35  14.553  -0.852  -8.875
  278   2HN   NH2  35          2HN       NH2  35  14.270   0.371 -10.143
  Start of MODEL   20
    1   1H    GLY   1          1HT       GLY   1  -9.711   7.642  -1.501
    2   2H    GLY   1          2HT       GLY   1  -9.444   5.981  -1.262
    3   3H    GLY   1          3HT       GLY   1  -9.563   6.606  -2.837
    4   1HA   GLY   1          2HA       GLY   1  -7.497   7.621  -2.755
    5   2HA   GLY   1          1HA       GLY   1  -7.464   7.555  -0.992
    6    H    CYS   2           H        CYS   2  -5.419   6.423  -1.059
    7    HA   CYS   2           HA       CYS   2  -5.660   3.574  -1.949
    8   1HB   CYS   2          2HB       CYS   2  -3.088   3.852  -2.116
    9   2HB   CYS   2          1HB       CYS   2  -4.071   4.610  -3.361
   10    H    LEU   3           H        LEU   3  -3.673   2.354  -0.706
   11    HA   LEU   3           HA       LEU   3  -4.351   2.600   2.155
   12   1HB   LEU   3          2HB       LEU   3  -2.737   0.682   0.455
   13   2HB   LEU   3          1HB       LEU   3  -2.912   0.499   2.198
   14    HG   LEU   3           HG       LEU   3  -5.485   0.764   1.649
   15   1HD1  LEU   3          1HD1      LEU   3  -5.424   1.201  -0.676
   16   2HD1  LEU   3          2HD1      LEU   3  -5.865  -0.503  -0.570
   17   3HD1  LEU   3          3HD1      LEU   3  -4.208  -0.045  -0.963
   18   1HD2  LEU   3          1HD2      LEU   3  -4.146  -1.248   2.556
   19   2HD2  LEU   3          2HD2      LEU   3  -4.145  -1.836   0.894
   20   3HD2  LEU   3          3HD2      LEU   3  -5.672  -1.602   1.745
   21    H    GLU   4           H        GLU   4  -2.585   2.619   3.783
   22    HA   GLU   4           HA       GLU   4  -0.777   4.767   3.525
   23   1HB   GLU   4          2HB       GLU   4  -1.293   2.489   5.326
   24   2HB   GLU   4          1HB       GLU   4   0.355   3.114   5.406
   25   1HG   GLU   4          2HG       GLU   4  -0.692   5.442   5.591
   26   2HG   GLU   4          1HG       GLU   4  -2.225   4.617   5.876
   27    H    PHE   5           H        PHE   5   1.732   3.977   4.226
   28    HA   PHE   5           HA       PHE   5   2.751   2.863   1.689
   29   1HB   PHE   5          2HB       PHE   5   4.361   4.387   2.131
   30   2HB   PHE   5          1HB       PHE   5   3.507   4.812   3.609
   31    HD1  PHE   5           1HD      PHE   5   6.428   3.224   2.191
   32    HD2  PHE   5           2HD      PHE   5   4.033   3.524   5.745
   33    HE1  PHE   5           1HE      PHE   5   8.297   2.293   3.529
   34    HE2  PHE   5           2HE      PHE   5   5.903   2.592   7.083
   35    HZ   PHE   5           HZ       PHE   5   8.035   1.977   5.975
   36    H    TRP   6           H        TRP   6   1.532   1.315   4.209
   37    HA   TRP   6           HA       TRP   6   3.279  -1.021   3.866
   38   1HB   TRP   6          2HB       TRP   6   4.432   0.511   5.517
   39   2HB   TRP   6          1HB       TRP   6   3.042   0.317   6.584
   40    HD1  TRP   6           HD       TRP   6   3.300  -1.534   8.291
   41    HE1  TRP   6           1HE      TRP   6   4.645  -3.728   8.460
   42    HE3  TRP   6           3HE      TRP   6   5.565  -1.540   3.712
   43    HZ2  TRP   6           2HZ      TRP   6   6.442  -5.278   6.866
   44    HZ3  TRP   6           3HZ      TRP   6   7.087  -3.385   3.066
   45    HH2  TRP   6           HH       TRP   6   7.529  -5.253   4.636
   46    H    TRP   7           H        TRP   7   0.676  -0.987   3.197
   47    HA   TRP   7           HA       TRP   7  -0.796  -2.203   5.513
   48   1HB   TRP   7          2HB       TRP   7  -1.500  -0.519   3.147
   49   2HB   TRP   7          1HB       TRP   7  -2.698  -1.702   3.671
   50    HD1  TRP   7           HD       TRP   7  -0.588  -0.503   6.466
   51    HE1  TRP   7           1HE      TRP   7  -1.899   1.168   7.930
   52    HE3  TRP   7           3HE      TRP   7  -4.601   0.365   3.432
   53    HZ2  TRP   7           2HZ      TRP   7  -4.329   2.672   7.826
   54    HZ3  TRP   7           3HZ      TRP   7  -6.397   1.922   4.139
   55    HH2  TRP   7           HH       TRP   7  -6.266   3.076   6.329
   56    H    LYS   8           H        LYS   8  -2.057  -4.173   4.987
   57    HA   LYS   8           HA       LYS   8  -0.701  -6.194   3.630
   58   1HB   LYS   8          2HB       LYS   8  -3.707  -5.976   3.542
   59   2HB   LYS   8          1HB       LYS   8  -2.727  -7.419   3.750
   60   1HG   LYS   8          2HG       LYS   8  -3.080  -7.185   5.968
   61   2HG   LYS   8          1HG       LYS   8  -1.960  -5.825   5.889
   62   1HD   LYS   8          2HD       LYS   8  -4.114  -4.502   5.115
   63   2HD   LYS   8          1HD       LYS   8  -4.956  -5.810   5.947
   64   1HE   LYS   8          2HE       LYS   8  -4.046  -5.243   8.038
   65   2HE   LYS   8          1HE       LYS   8  -2.680  -4.374   7.311
   66   1HZ   LYS   8          1HZ       LYS   8  -4.871  -3.144   8.183
   67   2HZ   LYS   8          2HZ       LYS   8  -5.333  -3.443   6.575
   68   3HZ   LYS   8          3HZ       LYS   8  -3.926  -2.552   6.906
   69    H    CYS   9           H        CYS   9  -0.921  -7.070   1.472
   70    HA   CYS   9           HA       CYS   9  -2.407  -5.546  -0.559
   71   1HB   CYS   9          2HB       CYS   9  -0.314  -4.890  -1.740
   72   2HB   CYS   9          1HB       CYS   9  -0.424  -4.160  -0.138
   73    H    ASN  10           H        ASN  10  -1.218  -6.359  -2.824
   74    HA   ASN  10           HA       ASN  10  -0.429  -9.183  -2.736
   75   1HB   ASN  10          2HB       ASN  10  -2.946  -9.089  -2.419
   76   2HB   ASN  10          1HB       ASN  10  -3.052  -8.369  -4.027
   77   1HD2  ASN  10          1HD2      ASN  10  -4.369 -10.689  -3.980
   78   2HD2  ASN  10          2HD2      ASN  10  -3.469 -11.971  -4.635
   79    HA   PRO  11           HA       PRO  11   1.497  -7.307  -6.313
   80   1HB   PRO  11          2HB       PRO  11   2.924  -9.534  -7.052
   81   2HB   PRO  11          1HB       PRO  11   3.423  -8.447  -5.738
   82   1HG   PRO  11          2HG       PRO  11   1.986 -11.060  -5.586
   83   2HG   PRO  11          1HG       PRO  11   3.309 -10.442  -4.581
   84   1HD   PRO  11          2HD       PRO  11   0.748 -10.406  -3.745
   85   2HD   PRO  11          1HD       PRO  11   1.904  -9.128  -3.300
   86    H    ASN  12           H        ASN  12  -1.094  -7.845  -6.784
   87    HA   ASN  12           HA       ASN  12  -1.109  -8.964  -9.492
   88   1HB   ASN  12          2HB       ASN  12  -1.298 -10.974  -8.089
   89   2HB   ASN  12          1HB       ASN  12  -2.622 -10.239  -7.184
   90   1HD2  ASN  12          1HD2      ASN  12  -2.241  -9.913 -10.708
   91   2HD2  ASN  12          2HD2      ASN  12  -3.621 -10.814 -11.110
   92    H    ASP  13           H        ASP  13  -2.952  -7.803  -6.694
   93    HA   ASP  13           HA       ASP  13  -4.401  -5.883  -8.402
   94   1HB   ASP  13          2HB       ASP  13  -5.546  -8.229  -8.303
   95   2HB   ASP  13          1HB       ASP  13  -5.963  -7.781  -6.648
   96    H    ASP  14           H        ASP  14  -2.507  -5.361  -6.455
   97    HA   ASP  14           HA       ASP  14  -3.706  -4.903  -3.833
   98   1HB   ASP  14          2HB       ASP  14  -1.539  -3.997  -3.336
   99   2HB   ASP  14          1HB       ASP  14  -1.261  -5.337  -4.449
  100    H    LYS  15           H        LYS  15  -3.186  -2.400  -3.062
  101    HA   LYS  15           HA       LYS  15  -4.228  -0.527  -5.127
  102   1HB   LYS  15          2HB       LYS  15  -6.099  -1.664  -3.862
  103   2HB   LYS  15          1HB       LYS  15  -5.494  -0.885  -2.401
  104   1HG   LYS  15          2HG       LYS  15  -6.830   0.853  -2.973
  105   2HG   LYS  15          1HG       LYS  15  -5.613   1.211  -4.199
  106   1HD   LYS  15          2HD       LYS  15  -7.419  -0.902  -5.069
  107   2HD   LYS  15          1HD       LYS  15  -8.293   0.577  -4.673
  108   1HE   LYS  15          2HE       LYS  15  -7.562   1.567  -6.575
  109   2HE   LYS  15          1HE       LYS  15  -5.874   1.209  -6.151
  110   1HZ   LYS  15          1HZ       LYS  15  -7.040   0.047  -8.193
  111   2HZ   LYS  15          2HZ       LYS  15  -7.585  -1.015  -6.984
  112   3HZ   LYS  15          3HZ       LYS  15  -5.920  -0.782  -7.228
  113    H    CYS  16           H        CYS  16  -1.938  -1.079  -2.781
  114    HA   CYS  16           HA       CYS  16  -1.818   1.194  -1.147
  115   1HB   CYS  16          2HB       CYS  16  -0.218  -0.813  -1.337
  116   2HB   CYS  16          1HB       CYS  16   0.554   0.060  -2.664
  117    H    CYS  17           H        CYS  17  -1.061   3.347  -1.484
  118    HA   CYS  17           HA       CYS  17  -1.708   4.774  -3.751
  119   1HB   CYS  17          2HB       CYS  17   0.754   5.171  -2.016
  120   2HB   CYS  17          1HB       CYS  17  -0.072   6.421  -2.942
  121    H    ARG  18           H        ARG  18  -0.526   5.432  -5.683
  122    HA   ARG  18           HA       ARG  18   1.629   3.492  -6.419
  123   1HB   ARG  18          2HB       ARG  18  -0.808   4.215  -7.587
  124   2HB   ARG  18          1HB       ARG  18   0.418   4.989  -8.592
  125   1HG   ARG  18          2HG       ARG  18   0.215   2.840  -9.540
  126   2HG   ARG  18          1HG       ARG  18   1.634   2.698  -8.500
  127   1HD   ARG  18          2HD       ARG  18   0.316   1.645  -6.745
  128   2HD   ARG  18          1HD       ARG  18  -1.180   1.914  -7.662
  129    HE   ARG  18           HE       ARG  18  -0.158   0.443  -9.457
  130   1HH1  ARG  18          1HH1      ARG  18  -0.537  -0.651  -6.436
  131   2HH1  ARG  18          2HH1      ARG  18   0.751  -1.810  -6.442
  132   1HH2  ARG  18          1HH2      ARG  18   2.162  -0.623  -9.379
  133   2HH2  ARG  18          2HH2      ARG  18   2.279  -1.795  -8.108
  134    HA   PRO  19           HA       PRO  19   3.204   7.964  -7.074
  135   1HB   PRO  19          2HB       PRO  19   4.054   8.846  -4.631
  136   2HB   PRO  19          1HB       PRO  19   2.436   9.196  -5.269
  137   1HG   PRO  19          2HG       PRO  19   3.279   7.207  -3.240
  138   2HG   PRO  19          1HG       PRO  19   1.791   8.157  -3.343
  139   1HD   PRO  19          2HD       PRO  19   2.011   5.504  -4.048
  140   2HD   PRO  19          1HD       PRO  19   0.748   6.607  -4.628
  141    H    LYS  20           H        LYS  20   4.174   5.328  -4.992
  142    HA   LYS  20           HA       LYS  20   6.638   4.831  -6.288
  143   1HB   LYS  20          2HB       LYS  20   6.594   7.082  -4.446
  144   2HB   LYS  20          1HB       LYS  20   7.781   5.875  -3.949
  145   1HG   LYS  20          2HG       LYS  20   9.048   6.129  -5.863
  146   2HG   LYS  20          1HG       LYS  20   7.658   6.591  -6.846
  147   1HD   LYS  20          2HD       LYS  20   8.788   8.624  -6.628
  148   2HD   LYS  20          1HD       LYS  20   7.618   8.716  -5.311
  149   1HE   LYS  20          2HE       LYS  20  10.141   7.369  -4.573
  150   2HE   LYS  20          1HE       LYS  20  10.320   9.086  -4.981
  151   1HZ   LYS  20          1HZ       LYS  20   7.949   8.697  -3.493
  152   2HZ   LYS  20          2HZ       LYS  20   9.300   9.649  -3.107
  153   3HZ   LYS  20          3HZ       LYS  20   9.252   8.015  -2.648
  154    H    LEU  21           H        LEU  21   4.423   3.441  -4.864
  155    HA   LEU  21           HA       LEU  21   6.089   1.888  -2.903
  156   1HB   LEU  21          2HB       LEU  21   3.120   2.511  -2.837
  157   2HB   LEU  21          1HB       LEU  21   3.978   1.540  -1.643
  158    HG   LEU  21           HG       LEU  21   5.510   3.822  -1.708
  159   1HD1  LEU  21          1HD1      LEU  21   2.956   4.463  -2.872
  160   2HD1  LEU  21          2HD1      LEU  21   4.331   5.528  -2.587
  161   3HD1  LEU  21          3HD1      LEU  21   3.117   5.296  -1.328
  162   1HD2  LEU  21          1HD2      LEU  21   4.996   3.732   0.492
  163   2HD2  LEU  21          2HD2      LEU  21   3.883   2.423   0.096
  164   3HD2  LEU  21          3HD2      LEU  21   3.299   4.085   0.171
  165    H    LYS  22           H        LYS  22   5.239  -0.383  -2.663
  166    HA   LYS  22           HA       LYS  22   3.583  -1.478  -4.774
  167   1HB   LYS  22          2HB       LYS  22   5.674  -1.140  -5.982
  168   2HB   LYS  22          1HB       LYS  22   6.582  -1.927  -4.691
  169   1HG   LYS  22          2HG       LYS  22   5.841  -4.048  -5.274
  170   2HG   LYS  22          1HG       LYS  22   4.353  -3.441  -6.002
  171   1HD   LYS  22          2HD       LYS  22   6.026  -2.296  -7.702
  172   2HD   LYS  22          1HD       LYS  22   7.114  -3.577  -7.164
  173   1HE   LYS  22          2HE       LYS  22   5.445  -5.282  -7.776
  174   2HE   LYS  22          1HE       LYS  22   4.320  -4.008  -8.285
  175   1HZ   LYS  22          1HZ       LYS  22   5.647  -4.872 -10.149
  176   2HZ   LYS  22          2HZ       LYS  22   7.066  -4.374  -9.360
  177   3HZ   LYS  22          3HZ       LYS  22   5.928  -3.223  -9.875
  178    H    CYS  23           H        CYS  23   2.745  -3.475  -4.100
  179    HA   CYS  23           HA       CYS  23   2.713  -4.297  -1.475
  180   1HB   CYS  23          2HB       CYS  23   1.415  -5.210  -3.451
  181   2HB   CYS  23          1HB       CYS  23   2.833  -6.178  -3.850
  182    H    SER  24           H        SER  24   3.848  -5.972  -0.279
  183    HA   SER  24           HA       SER  24   6.598  -6.599  -1.293
  184   1HB   SER  24          2HB       SER  24   6.005  -4.702   0.597
  185   2HB   SER  24          1HB       SER  24   6.270  -6.118   1.606
  186    HG   SER  24           HG       SER  24   8.317  -6.009   1.156
  187    H    LYS  25           H        LYS  25   6.344  -8.808  -1.578
  188    HA   LYS  25           HA       LYS  25   4.676 -10.534  -0.044
  189   1HB   LYS  25          2HB       LYS  25   7.210 -10.976  -1.655
  190   2HB   LYS  25          1HB       LYS  25   6.173 -12.284  -1.085
  191   1HG   LYS  25          2HG       LYS  25   4.842 -11.992  -2.874
  192   2HG   LYS  25          1HG       LYS  25   4.488 -10.353  -2.325
  193   1HD   LYS  25          2HD       LYS  25   5.623  -9.553  -4.095
  194   2HD   LYS  25          1HD       LYS  25   7.092 -10.281  -3.442
  195   1HE   LYS  25          2HE       LYS  25   5.106 -11.574  -5.344
  196   2HE   LYS  25          1HE       LYS  25   6.813 -11.195  -5.659
  197   1HZ   LYS  25          1HZ       LYS  25   5.657 -13.322  -4.032
  198   2HZ   LYS  25          2HZ       LYS  25   7.055 -12.575  -3.420
  199   3HZ   LYS  25          3HZ       LYS  25   7.085 -13.316  -4.949
  200    H    LEU  26           H        LEU  26   7.965  -9.367   0.484
  201    HA   LEU  26           HA       LEU  26   9.008 -11.170   2.332
  202   1HB   LEU  26          2HB       LEU  26   9.054  -8.171   2.050
  203   2HB   LEU  26          1HB       LEU  26   9.935  -8.951   3.364
  204    HG   LEU  26           HG       LEU  26  10.356 -10.258   0.776
  205   1HD1  LEU  26          1HD1      LEU  26  11.149  -8.542  -0.483
  206   2HD1  LEU  26          2HD1      LEU  26  11.887  -7.745   0.907
  207   3HD1  LEU  26          3HD1      LEU  26  10.169  -7.523   0.572
  208   1HD2  LEU  26          1HD2      LEU  26  11.610 -10.224   3.168
  209   2HD2  LEU  26          2HD2      LEU  26  12.544  -8.979   2.338
  210   3HD2  LEU  26          3HD2      LEU  26  12.447 -10.605   1.664
  211    H    PHE  27           H        PHE  27   6.534  -8.674   2.874
  212    HA   PHE  27           HA       PHE  27   5.938  -9.974   5.509
  213   1HB   PHE  27          2HB       PHE  27   6.535  -7.145   4.784
  214   2HB   PHE  27          1HB       PHE  27   5.293  -7.434   6.005
  215    HD1  PHE  27           1HD      PHE  27   5.852  -8.229   8.196
  216    HD2  PHE  27           2HD      PHE  27   8.848  -8.058   5.122
  217    HE1  PHE  27           1HE      PHE  27   7.611  -8.679   9.884
  218    HE2  PHE  27           2HE      PHE  27  10.607  -8.505   6.813
  219    HZ   PHE  27           HZ       PHE  27   9.989  -8.817   9.194
  220    H    LYS  28           H        LYS  28   4.798  -9.228   2.479
  221    HA   LYS  28           HA       LYS  28   2.607  -9.445   1.597
  222   1HB   LYS  28          2HB       LYS  28   1.510  -9.573   4.394
  223   2HB   LYS  28          1HB       LYS  28   1.001 -10.463   2.960
  224   1HG   LYS  28          2HG       LYS  28   3.628 -11.286   3.316
  225   2HG   LYS  28          1HG       LYS  28   3.017 -11.160   4.966
  226   1HD   LYS  28          2HD       LYS  28   1.714 -12.989   4.714
  227   2HD   LYS  28          1HD       LYS  28   1.063 -12.395   3.186
  228   1HE   LYS  28          2HE       LYS  28   3.875 -13.464   3.257
  229   2HE   LYS  28          1HE       LYS  28   2.507 -14.594   3.178
  230   1HZ   LYS  28          1HZ       LYS  28   1.670 -13.515   1.259
  231   2HZ   LYS  28          2HZ       LYS  28   3.323 -13.777   0.967
  232   3HZ   LYS  28          3HZ       LYS  28   2.769 -12.232   1.401
  233    H    LEU  29           H        LEU  29   3.880  -6.883   2.742
  234    HA   LEU  29           HA       LEU  29   1.330  -5.291   2.830
  235   1HB   LEU  29          2HB       LEU  29   3.890  -4.506   4.232
  236   2HB   LEU  29          1HB       LEU  29   2.248  -3.962   4.562
  237    HG   LEU  29           HG       LEU  29   3.207  -6.807   4.980
  238   1HD1  LEU  29          1HD1      LEU  29   2.772  -6.002   7.454
  239   2HD1  LEU  29          2HD1      LEU  29   3.083  -4.404   6.777
  240   3HD1  LEU  29          3HD1      LEU  29   4.318  -5.660   6.678
  241   1HD2  LEU  29          1HD2      LEU  29   0.997  -6.488   6.510
  242   2HD2  LEU  29          2HD2      LEU  29   0.930  -7.067   4.846
  243   3HD2  LEU  29          3HD2      LEU  29   0.614  -5.369   5.202
  244    H    CYS  30           H        CYS  30   1.663  -3.027   1.985
  245    HA   CYS  30           HA       CYS  30   3.448  -3.100  -0.346
  246   1HB   CYS  30          2HB       CYS  30   2.081  -1.392  -1.142
  247   2HB   CYS  30          1HB       CYS  30   0.976  -2.277  -0.114
  248    H    ASN  31           H        ASN  31   5.419  -2.176  -0.408
  249    HA   ASN  31           HA       ASN  31   6.136  -0.256   1.789
  250   1HB   ASN  31          2HB       ASN  31   7.225  -2.650   1.340
  251   2HB   ASN  31          1HB       ASN  31   8.165  -1.738   0.160
  252   1HD2  ASN  31          1HD2      ASN  31  10.042  -2.235   1.684
  253   2HD2  ASN  31          2HD2      ASN  31  10.274  -1.220   3.026
  254    H    PHE  32           H        PHE  32   8.625   0.454   0.425
  255    HA   PHE  32           HA       PHE  32   7.511   2.454  -1.455
  256   1HB   PHE  32          2HB       PHE  32  10.006   2.007   0.126
  257   2HB   PHE  32          1HB       PHE  32  10.128   3.013  -1.315
  258    HD1  PHE  32           1HD      PHE  32   9.364   3.010   2.135
  259    HD2  PHE  32           2HD      PHE  32   8.205   4.818  -1.585
  260    HE1  PHE  32           1HE      PHE  32   8.364   4.914   3.371
  261    HE2  PHE  32           2HE      PHE  32   7.206   6.722  -0.349
  262    HZ   PHE  32           HZ       PHE  32   7.285   6.769   2.130
  263    H    SER  33           H        SER  33   9.458   2.872  -3.259
  264    HA   SER  33           HA       SER  33   9.879   0.232  -4.621
  265   1HB   SER  33          2HB       SER  33   8.207   1.141  -5.922
  266   2HB   SER  33          1HB       SER  33   8.609   2.793  -5.463
  267    HG   SER  33           HG       SER  33   9.816   2.911  -7.172
  268    H    PHE  34           H        PHE  34  11.656   2.154  -2.976
  269    HA   PHE  34           HA       PHE  34  13.978   1.998  -4.773
  270   1HB   PHE  34          2HB       PHE  34  14.314   4.342  -4.990
  271   2HB   PHE  34          1HB       PHE  34  12.589   4.120  -5.278
  272    HD1  PHE  34           1HD      PHE  34  11.225   3.965  -2.867
  273    HD2  PHE  34           2HD      PHE  34  14.834   6.185  -3.673
  274    HE1  PHE  34           1HE      PHE  34  10.712   5.490  -0.968
  275    HE2  PHE  34           2HE      PHE  34  14.320   7.710  -1.774
  276    HZ   PHE  34           HZ       PHE  34  12.258   7.364  -0.421
  277   1HN   NH2  35          1HN       NH2  35  12.628   1.581  -1.741
  278   2HN   NH2  35          2HN       NH2  35  14.049   1.904  -0.713