*HEADER    SIGNALING PROTEIN                       15-OCT-10   2L4U              
*TITLE     SOLUTION STRUCTURE OF STE5PM24 IN THE PRESENCE OF SDS MICELLE         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 24MER PEPTIDE FROM PROTEIN STE5;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHETIC PEPTIDE                                     
*KEYWDS    STE5, MAPKKK, STE11 SAM, STE50 SAM, PHEROMONE RESPONSE,               
*KEYWDS   2 PHOSPHOPROTEIN, SIGNALING PROTEIN                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.BHUNIA, S.BHATTACHARJYA                                             
*REVDAT   1   27-OCT-10 2L4U    0                                                


assign ( resid 1 and name HB# ) ( resid 2 and name HN ) 3.55 2.00 0.00
assign ( resid 1 and name HG# ) ( resid 2 and name HN ) 3.70 2.00 0.00
assign ( resid 2 and name HB# ) ( resid 2 and name HN ) 3.55 2.00 0.00
assign ( resid 2 and name HD## ) ( resid 2 and name HN ) 3.95 2.00 0.00
assign ( resid 2 and name HA ) ( resid 3 and name HN ) 3.40 2.00 0.00
assign ( resid 3 and name HB# ) ( resid 3 and name HN ) 3.84 2.00 0.00
assign ( resid 2 and name HB# ) ( resid 3 and name HN ) 4.10 2.00 0.00
assign ( resid 2 and name HD## ) ( resid 3 and name HN ) 4.30 2.00 0.00
assign ( resid 4 and name HB# ) ( resid 3 and name HN ) 4.30 2.00 0.00
assign ( resid 3 and name HA ) ( resid 4 and name HN ) 3.40 2.00 0.00
assign ( resid 3 and name HB# ) ( resid 4 and name HN ) 3.85 2.00 0.00
assign ( resid 4 and name HB# ) ( resid 4 and name HN ) 3.56 2.00 0.00
assign ( resid 4 and name HG# ) ( resid 4 and name HN ) 3.56 2.00 0.00
assign ( resid 4 and name HD# ) ( resid 4 and name HN ) 3.56 2.00 0.00
assign ( resid 2 and name HD## ) ( resid 4 and name HN ) 4.30 2.00 0.00
assign ( resid 4 and name HA ) ( resid 5 and name HN ) 3.35 2.00 0.00
assign ( resid 4 and name HB# ) ( resid 5 and name HN ) 3.55 2.00 0.00
assign ( resid 4 and name HG# ) ( resid 5 and name HN ) 3.85 2.00 0.00
assign ( resid 4 and name HD# ) ( resid 5 and name HN ) 3.95 2.00 0.00
assign ( resid 2 and name HB# ) ( resid 5 and name HN ) 4.20 2.00 0.00
assign ( resid 2 and name HD## ) ( resid 5 and name HN ) 4.40 2.00 0.00
assign ( resid 5 and name HA# ) ( resid 6 and name HN ) 3.35 2.00 0.00
assign ( resid 2 and name HB# ) ( resid 6 and name HN ) 4.20 2.00 0.00
assign ( resid 4 and name HG# ) ( resid 6 and name HN ) 3.00 2.00 0.00
assign ( resid 6 and name HB# ) ( resid 6 and name HN ) 3.50 2.00 0.00
assign ( resid 6 and name HG# ) ( resid 6 and name HN ) 3.80 2.00 0.00
assign ( resid 6 and name HA ) ( resid 7 and name HN ) 3.35 2.00 0.00
assign ( resid 5 and name HA# ) ( resid 7 and name HN ) 3.85 2.00 0.00
assign ( resid 7 and name HB# ) ( resid 7 and name HN ) 3.50 2.00 0.00
assign ( resid 7 and name HG# ) ( resid 7 and name HN ) 3.80 2.00 0.00
assign ( resid 7 and name HD# ) ( resid 7 and name HN ) 4.10 2.00 0.00
assign ( resid 7 and name HE# ) ( resid 7 and name HN ) 4.20 2.00 0.00
assign ( resid 4 and name HG# ) ( resid 7 and name HN ) 4.50 2.00 0.00
assign ( resid 7 and name HA ) ( resid 8 and name HN ) 3.35 2.00 0.00
assign ( resid 5 and name HA# ) ( resid 8 and name HN ) 4.15 2.00 0.00
assign ( resid 8 and name HB# ) ( resid 8 and name HN ) 3.50 2.00 0.00
assign ( resid 7 and name HB# ) ( resid 8 and name HN ) 3.50 2.00 0.00
assign ( resid 7 and name HG# ) ( resid 8 and name HN ) 3.95 2.00 0.00
assign ( resid 7 and name HD# ) ( resid 8 and name HN ) 3.95 2.00 0.00
assign ( resid 7 and name HE# ) ( resid 8 and name HN ) 3.95 2.00 0.00
assign ( resid 6 and name HB# ) ( resid 8 and name HN ) 4.40 2.00 0.00
assign ( resid 4 and name HG# ) ( resid 8 and name HN ) 5.35 2.00 0.00
assign ( resid 10 and name HB# ) ( resid 8 and name HN ) 4.50 2.00 0.00
assign ( resid 6 and name HB# ) ( resid 8 and name HE1 ) 4.27 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 8 and name HE1 ) 5.25 2.00 0.00
assign ( resid 8 and name HA ) ( resid 8 and name HE3 ) 4.80 2.00 0.00
assign ( resid 8 and name HB# ) ( resid 8 and name HE3 ) 3.75 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 8 and name HE3 ) 3.00 2.00 0.00
assign ( resid 8 and name HA ) ( resid 8 and name HD1 ) 4.50 2.00 0.00
assign ( resid 5 and name HA# ) ( resid 8 and name HD1 ) 4.50 2.00 0.00
assign ( resid 6 and name HA ) ( resid 8 and name HD1 ) 3.00 2.00 0.00
assign ( resid 7 and name HA ) ( resid 8 and name HD1 ) 5.00 2.00 0.00
assign ( resid 8 and name HB# ) ( resid 8 and name HD1 ) 4.75 2.00 0.00
assign ( resid 6 and name HB# ) ( resid 8 and name HD1 ) 5.50 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 8 and name HD1 ) 5.25 2.00 0.00
assign ( resid 8 and name HA ) ( resid 9 and name HN ) 3.35 2.00 0.00
assign ( resid 6 and name HA ) ( resid 9 and name HN ) 4.00 2.00 0.00
assign ( resid 9 and name HB ) ( resid 9 and name HN ) 3.50 2.00 0.00
assign ( resid 9 and name HG2# ) ( resid 9 and name HN ) 3.80 2.00 0.00
assign ( resid 8 and name HB# ) ( resid 9 and name HN ) 3.50 2.00 0.00
assign ( resid 6 and name HB# ) ( resid 9 and name HN ) 4.90 2.00 0.00
assign ( resid 9 and name HA ) ( resid 10 and name HN ) 3.35 2.00 0.00
assign ( resid 9 and name HB ) ( resid 10 and name HN ) 3.75 2.00 0.00
assign ( resid 9 and name HG2# ) ( resid 10 and name HN ) 4.25 2.00 0.00
assign ( resid 7 and name HA ) ( resid 10 and name HN ) 3.90 2.00 0.00
assign ( resid 8 and name HA ) ( resid 10 and name HN ) 4.80 2.00 0.00
assign ( resid 6 and name HA ) ( resid 10 and name HN ) 4.58 2.00 0.00
assign ( resid 10 and name HB# ) ( resid 10 and name HN ) 3.50 2.00 0.00
assign ( resid 10 and name HG# ) ( resid 10 and name HN ) 4.00 2.00 0.00
assign ( resid 10 and name HA ) ( resid 11 and name HN ) 3.35 2.00 0.00
assign ( resid 9 and name HA ) ( resid 11 and name HN ) 3.75 2.00 0.00
assign ( resid 11 and name HB# ) ( resid 11 and name HN ) 3.50 2.00 0.00
assign ( resid 11 and name HG# ) ( resid 11 and name HN ) 3.80 2.00 0.00
assign ( resid 11 and name HE# ) ( resid 11 and name HN ) 3.95 2.00 0.00
assign ( resid 11 and name HD# ) ( resid 11 and name HN ) 3.95 2.00 0.00
assign ( resid 10 and name HG# ) ( resid 11 and name HN ) 4.00 2.00 0.00
assign ( resid 10 and name HB# ) ( resid 11 and name HN ) 4.00 2.00 0.00
assign ( resid 11 and name HA ) ( resid 12 and name HN ) 3.35 2.00 0.00
assign ( resid 9 and name HA ) ( resid 12 and name HN ) 3.30 2.00 0.00
assign ( resid 10 and name HA ) ( resid 12 and name HN ) 4.50 2.00 0.00
assign ( resid 10 and name HG# ) ( resid 12 and name HN ) 5.10 2.00 0.00
assign ( resid 11 and name HB# ) ( resid 12 and name HN ) 3.85 2.00 0.00
assign ( resid 11 and name HG# ) ( resid 12 and name HN ) 4.55 2.00 0.00
assign ( resid 12 and name HB# ) ( resid 12 and name HN ) 3.80 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 12 and name HN ) 4.25 2.00 0.00
assign ( resid 9 and name HB ) ( resid 12 and name HN ) 5.20 2.00 0.00
assign ( resid 12 and name HA ) ( resid 13 and name HN ) 3.35 2.00 0.00
assign ( resid 11 and name HA ) ( resid 13 and name HN ) 4.45 2.00 0.00
assign ( resid 10 and name HA ) ( resid 13 and name HN ) 4.00 2.00 0.00
assign ( resid 9 and name HA ) ( resid 13 and name HN ) 4.20 2.00 0.00
assign ( resid 10 and name HB# ) ( resid 13 and name HN ) 5.20 2.00 0.00
assign ( resid 11 and name HB# ) ( resid 13 and name HN ) 4.75 2.00 0.00
assign ( resid 12 and name HB# ) ( resid 13 and name HN ) 4.00 2.00 0.00
assign ( resid 13 and name HB# ) ( resid 13 and name HN ) 4.14 2.00 0.00
assign ( resid 9 and name HG2# ) ( resid 13 and name HN ) 4.20 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 13 and name HN ) 4.20 2.00 0.00
assign ( resid 13 and name HA ) ( resid 14 and name HN ) 3.35 2.00 0.00
assign ( resid 10 and name HA ) ( resid 14 and name HN ) 4.25 2.00 0.00
assign ( resid 11 and name HA ) ( resid 14 and name HN ) 4.00 2.00 0.00
assign ( resid 12 and name HA ) ( resid 14 and name HN ) 4.35 2.00 0.00
assign ( resid 15 and name HB# ) ( resid 14 and name HN ) 4.75 2.00 0.00
assign ( resid 14 and name HB# ) ( resid 14 and name HN ) 3.90 2.00 0.00
assign ( resid 14 and name HG# ) ( resid 14 and name HN ) 4.10 2.00 0.00
assign ( resid 14 and name HD# ) ( resid 14 and name HN ) 4.10 2.00 0.00
assign ( resid 11 and name HB# ) ( resid 14 and name HN ) 5.20 2.00 0.00
assign ( resid 11 and name HG# ) ( resid 14 and name HN ) 5.50 2.00 0.00
assign ( resid 13 and name HB# ) ( resid 14 and name HN ) 3.95 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 14 and name HN ) 5.00 2.00 0.00
assign ( resid 14 and name HA ) ( resid 15 and name HN ) 3.35 2.00 0.00
assign ( resid 12 and name HA ) ( resid 15 and name HN ) 4.30 2.00 0.00
assign ( resid 13 and name HA ) ( resid 15 and name HN ) 4.20 2.00 0.00
assign ( resid 11 and name HA ) ( resid 15 and name HN ) 4.85 2.00 0.00
assign ( resid 14 and name HD# ) ( resid 15 and name HN ) 4.00 2.00 0.00
assign ( resid 14 and name HB# ) ( resid 15 and name HN ) 4.00 2.00 0.00
assign ( resid 15 and name HB# ) ( resid 15 and name HN ) 3.85 2.00 0.00
assign ( resid 15 and name HA ) ( resid 15 and name HD# ) 4.00 2.00 0.00
assign ( resid 15 and name HB# ) ( resid 15 and name HD# ) 4.00 2.00 0.00
assign ( resid 15 and name HB# ) ( resid 15 and name HE# ) 4.00 2.00 0.00
assign ( resid 16 and name HG# ) ( resid 15 and name HN ) 4.50 2.00 0.00
assign ( resid 16 and name HB# ) ( resid 15 and name HN ) 4.30 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 15 and name HN ) 4.76 2.00 0.00
assign ( resid 12 and name HA ) ( resid 15 and name HD# ) 4.30 2.00 0.00
assign ( resid 12 and name HA ) ( resid 15 and name HE# ) 4.30 2.00 0.00
assign ( resid 11 and name HE# ) ( resid 15 and name HD# ) 4.95 2.00 0.00
assign ( resid 14 and name HD# ) ( resid 15 and name HD# ) 4.50 2.00 0.00
assign ( resid 12 and name HB# ) ( resid 15 and name HE# ) 3.00 2.00 0.00
assign ( resid 14 and name HG# ) ( resid 15 and name HE# ) 5.00 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 15 and name HE# ) 3.00 2.00 0.00
assign ( resid 12 and name HB# ) ( resid 15 and name HD# ) 4.90 2.00 0.00
assign ( resid 14 and name HG# ) ( resid 15 and name HD# ) 4.50 2.00 0.00
assign ( resid 17 and name HG# ) ( resid 15 and name HD# ) 5.25 2.00 0.00
assign ( resid 15 and name HA ) ( resid 16 and name HN ) 3.35 2.00 0.00
assign ( resid 15 and name HB# ) ( resid 16 and name HN ) 3.96 2.00 0.00
assign ( resid 16 and name HB# ) ( resid 16 and name HN ) 3.85 2.00 0.00
assign ( resid 16 and name HG# ) ( resid 16 and name HN ) 3.95 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 16 and name HN ) 4.50 2.00 0.00
assign ( resid 16 and name HA ) ( resid 17 and name HN ) 3.35 2.00 0.00
assign ( resid 15 and name HA ) ( resid 17 and name HN ) 4.20 2.00 0.00
assign ( resid 17 and name HB# ) ( resid 17 and name HN ) 3.85 2.00 0.00
assign ( resid 17 and name HG# ) ( resid 17 and name HN ) 3.97 2.00 0.00
assign ( resid 17 and name HD# ) ( resid 17 and name HN ) 4.07 2.00 0.00
assign ( resid 17 and name HA ) ( resid 18 and name HN ) 3.35 2.00 0.00
assign ( resid 18 and name HB# ) ( resid 18 and name HN ) 3.85 2.00 0.00
assign ( resid 17 and name HB# ) ( resid 18 and name HN ) 3.98 2.00 0.00
assign ( resid 17 and name HD# ) ( resid 18 and name HN ) 4.38 2.00 0.00
assign ( resid 18 and name HA ) ( resid 19 and name HN ) 3.35 2.00 0.00
assign ( resid 19 and name HB# ) ( resid 19 and name HN ) 3.85 2.00 0.00
assign ( resid 18 and name HB# ) ( resid 19 and name HN ) 3.85 2.00 0.00
assign ( resid 17 and name HB# ) ( resid 19 and name HN ) 4.90 2.00 0.00
assign ( resid 19 and name HA ) ( resid 20 and name HN ) 3.35 2.00 0.00
assign ( resid 18 and name HB# ) ( resid 20 and name HN ) 4.40 2.00 0.00
assign ( resid 19 and name HB# ) ( resid 20 and name HN ) 3.50 2.00 0.00
assign ( resid 20 and name HB# ) ( resid 20 and name HN ) 3.85 2.00 0.00
assign ( resid 20 and name HA ) ( resid 21 and name HN ) 3.35 2.00 0.00
assign ( resid 21 and name HB# ) ( resid 21 and name HN ) 3.85 2.00 0.00
assign ( resid 21 and name HG# ) ( resid 21 and name HN ) 4.00 2.00 0.00
assign ( resid 21 and name HG# ) ( resid 21 and name HN ) 4.20 2.00 0.00
assign ( resid 19 and name HA ) ( resid 21 and name HN ) 4.10 2.00 0.00
assign ( resid 20 and name HB# ) ( resid 21 and name HN ) 3.35 2.00 0.00
assign ( resid 21 and name HA ) ( resid 22 and name HN ) 3.35 2.00 0.00
assign ( resid 22 and name HB# ) ( resid 22 and name HN ) 3.85 2.00 0.00
assign ( resid 21 and name HB# ) ( resid 22 and name HN ) 3.85 2.00 0.00
assign ( resid 22 and name HA ) ( resid 23 and name HN ) 3.35 2.00 0.00
assign ( resid 23 and name HB# ) ( resid 23 and name HN ) 3.85 2.00 0.00
assign ( resid 23 and name HG# ) ( resid 23 and name HN ) 3.95 2.00 0.00
assign ( resid 23 and name HD# ) ( resid 23 and name HN ) 4.05 2.00 0.00
assign ( resid 23 and name HA ) ( resid 24 and name HN ) 3.35 2.00 0.00
assign ( resid 24 and name HB# ) ( resid 24 and name HN ) 3.85 2.00 0.00
assign ( resid 24 and name HG# ) ( resid 24 and name HN ) 4.00 2.00 0.00
assign ( resid 2 and name HN ) ( resid 3 and name HN ) 3.50 2.00 0.00
assign ( resid 3 and name HN ) ( resid 4 and name HN ) 3.50 2.00 0.00
assign ( resid 4 and name HN ) ( resid 5 and name HN ) 3.50 2.00 0.00
assign ( resid 6 and name HN ) ( resid 5 and name HN ) 2.80 2.00 0.00
assign ( resid 16 and name HN ) ( resid 17 and name HN ) 2.80 2.00 0.00
assign ( resid 6 and name HN ) ( resid 7 and name HN ) 2.80 2.00 0.00
assign ( resid 7 and name HN ) ( resid 8 and name HN ) 2.80 2.00 0.00
assign ( resid 8 and name HN ) ( resid 9 and name HN ) 2.80 2.00 0.00
assign ( resid 9 and name HN ) ( resid 10 and name HN ) 2.80 2.00 0.00
assign ( resid 10 and name HN ) ( resid 11 and name HN ) 2.80 2.00 0.00
assign ( resid 11 and name HN ) ( resid 12 and name HN ) 2.80 2.00 0.00
assign ( resid 12 and name HN ) ( resid 13 and name HN ) 2.80 2.00 0.00
assign ( resid 13 and name HN ) ( resid 14 and name HN ) 2.80 2.00 0.00
assign ( resid 14 and name HN ) ( resid 15 and name HN ) 2.80 2.00 0.00
assign ( resid 15 and name HN ) ( resid 16 and name HN ) 2.80 2.00 0.00
assign ( resid 17 and name HN ) ( resid 18 and name HN ) 2.80 2.00 0.00
assign ( resid 18 and name HN ) ( resid 19 and name HN ) 2.80 2.00 0.00
assign ( resid 19 and name HN ) ( resid 20 and name HN ) 2.80 2.00 0.00
assign ( resid 20 and name HN ) ( resid 21 and name HN ) 2.80 2.00 0.00
assign ( resid 21 and name HN ) ( resid 22 and name HN ) 2.80 2.00 0.00
assign ( resid 22 and name HN ) ( resid 23 and name HN ) 2.80 2.00 0.00
assign ( resid 23 and name HN ) ( resid 24 and name HN ) 2.80 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 8 and name HE3 ) 4.00 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 8 and name HZ3 ) 4.00 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 8 and name HH2 ) 4.00 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 15 and name HD# ) 3.50 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 15 and name HE# ) 3.50 2.00 0.00
assign ( resid 12 and name HB# ) ( resid 15 and name HE# ) 3.50 2.00 0.00
assign ( resid 12 and name HB# ) ( resid 15 and name HD# ) 3.75 2.00 0.00
assign ( resid 12 and name HD## ) ( resid 15 and name HZ ) 3.50 2.00 0.00
assign ( resid 10 and name OE1 ) ( resid 14 and name HH11 ) 2.80 2.00 0.00
assign ( resid 10 and name OE2 ) ( resid 14 and name HH12 ) 2.80 2.00 0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   PRO   1           1HT      PRO   1 -11.714  14.308  -5.352
    2    H3   PRO   1           2HT      PRO   1 -13.126  13.586  -5.794
    3    HA   PRO   1           HA       PRO   1 -12.265  12.361  -7.239
    4    HB2  PRO   1           2HB      PRO   1 -10.035  13.720  -8.344
    5    HB3  PRO   1           1HB      PRO   1 -11.610  13.438  -9.099
    6    HG2  PRO   1           2HG      PRO   1 -10.613  15.822  -7.633
    7    HG3  PRO   1           1HG      PRO   1 -11.767  15.724  -8.974
    8    HD2  PRO   1           2HD      PRO   1 -12.606  16.230  -6.495
    9    HD3  PRO   1           1HD      PRO   1 -13.546  15.175  -7.567
   10    H    LEU   2           H        LEU   2  -9.307  14.199  -6.555
   11    HA   LEU   2           HA       LEU   2  -8.259  11.814  -5.206
   12    HB2  LEU   2           2HB      LEU   2  -6.233  12.196  -6.063
   13    HB3  LEU   2           1HB      LEU   2  -7.185  12.991  -7.295
   14    HG   LEU   2           HG       LEU   2  -5.540  14.551  -6.994
   15   HD11  LEU   2          1HD1      LEU   2  -6.616  16.375  -6.292
   16   HD12  LEU   2          2HD1      LEU   2  -6.852  15.729  -4.668
   17   HD13  LEU   2          3HD1      LEU   2  -7.959  15.283  -5.964
   18   HD21  LEU   2          3HD2      LEU   2  -5.030  13.086  -4.646
   19   HD22  LEU   2          1HD2      LEU   2  -5.167  14.778  -4.169
   20   HD23  LEU   2          2HD2      LEU   2  -4.010  14.302  -5.412
   21    H    SER   3           H        SER   3  -9.882  14.085  -4.098
   22    HA   SER   3           HA       SER   3  -8.137  15.409  -2.220
   23    HB2  SER   3           2HB      SER   3 -10.992  15.480  -2.907
   24    HB3  SER   3           1HB      SER   3 -10.692  15.609  -1.174
   25    HG   SER   3           HG       SER   3  -9.591  17.453  -1.483
   26    H    ARG   4           H        ARG   4  -8.564  12.439  -2.627
   27    HA   ARG   4           HA       ARG   4  -9.161  11.601   0.101
   28    HB2  ARG   4           2HB      ARG   4 -10.090   9.725  -0.833
   29    HB3  ARG   4           1HB      ARG   4 -10.351  10.863  -2.144
   30    HG2  ARG   4           2HG      ARG   4  -7.973   9.956  -2.908
   31    HG3  ARG   4           1HG      ARG   4  -8.500   8.539  -1.999
   32    HD2  ARG   4           2HD      ARG   4 -10.569   9.647  -3.731
   33    HD3  ARG   4           1HD      ARG   4  -9.129   9.136  -4.609
   34    HE   ARG   4           HE       ARG   4  -9.625   6.947  -4.107
   35   HH11  ARG   4          1HH1      ARG   4 -11.645   9.055  -2.192
   36   HH12  ARG   4          2HH1      ARG   4 -12.654   7.771  -1.617
   37   HH21  ARG   4          1HH2      ARG   4 -10.951   5.259  -3.351
   38   HH22  ARG   4          2HH2      ARG   4 -12.261   5.616  -2.275
   39    H    GLY   5           H        GLY   5  -6.902  11.486  -2.532
   40    HA2  GLY   5           2HA      GLY   5  -4.591  11.110  -2.419
   41    HA3  GLY   5           1HA      GLY   5  -4.781  10.595  -0.744
   42    H    LYS   6           H        LYS   6  -6.337   9.536  -3.753
   43    HA   LYS   6           HA       LYS   6  -6.441   6.844  -3.065
   44    HB2  LYS   6           2HB      LYS   6  -6.533   6.485  -5.594
   45    HB3  LYS   6           1HB      LYS   6  -7.828   7.348  -4.780
   46    HG2  LYS   6           2HG      LYS   6  -7.325   9.332  -5.777
   47    HG3  LYS   6           1HG      LYS   6  -5.602   8.965  -5.875
   48    HD2  LYS   6           2HD      LYS   6  -6.067   7.369  -7.692
   49    HD3  LYS   6           1HD      LYS   6  -7.777   7.793  -7.608
   50    HE2  LYS   6           2HE      LYS   6  -6.901   9.060  -9.389
   51    HE3  LYS   6           1HE      LYS   6  -7.059  10.186  -8.041
   52    HZ1  LYS   6           3HZ      LYS   6  -4.571   9.327  -7.673
   53    HZ2  LYS   6           1HZ      LYS   6  -4.954  10.684  -8.609
   54    HZ3  LYS   6           2HZ      LYS   6  -4.668   9.194  -9.357
   55    H    LYS   7           H        LYS   7  -3.757   8.663  -3.890
   56    HA   LYS   7           HA       LYS   7  -2.108   6.862  -5.246
   57    HB2  LYS   7           2HB      LYS   7  -0.564   8.064  -3.156
   58    HB3  LYS   7           1HB      LYS   7  -0.551   8.433  -4.870
   59    HG2  LYS   7           2HG      LYS   7  -1.062  10.474  -4.016
   60    HG3  LYS   7           1HG      LYS   7  -2.686   9.836  -4.245
   61    HD2  LYS   7           2HD      LYS   7  -2.478  10.872  -2.055
   62    HD3  LYS   7           1HD      LYS   7  -2.723   9.134  -1.894
   63    HE2  LYS   7           2HE      LYS   7  -0.871   8.983  -0.693
   64    HE3  LYS   7           1HE      LYS   7   0.063   9.589  -2.061
   65    HZ1  LYS   7           3HZ      LYS   7   0.433  10.974  -0.153
   66    HZ2  LYS   7           1HZ      LYS   7  -1.228  11.224   0.056
   67    HZ3  LYS   7           2HZ      LYS   7  -0.442  11.858  -1.300
   68    H    TRP   8           H        TRP   8  -3.442   6.874  -2.184
   69    HA   TRP   8           HA       TRP   8  -1.751   4.945  -0.895
   70    HB2  TRP   8           2HB      TRP   8  -3.097   5.144   0.973
   71    HB3  TRP   8           1HB      TRP   8  -3.395   6.698   0.208
   72    HD1  TRP   8           HD       TRP   8  -5.631   6.448  -1.613
   73    HE1  TRP   8           1HE      TRP   8  -7.966   5.602  -1.025
   74    HE3  TRP   8           3HE      TRP   8  -4.399   3.606   2.413
   75    HZ2  TRP   8           2HZ      TRP   8  -9.140   3.936   0.941
   76    HZ3  TRP   8           3HZ      TRP   8  -6.179   2.427   3.613
   77    HH2  TRP   8           HH       TRP   8  -8.493   2.567   2.875
   78    H    THR   9           H        THR   9  -4.794   5.024  -2.557
   79    HA   THR   9           HA       THR   9  -5.736   2.477  -2.161
   80    HB   THR   9           HB       THR   9  -6.404   4.635  -3.808
   81    HG1  THR   9           1HG      THR   9  -7.568   2.095  -3.395
   82   HG21  THR   9          3HG2      THR   9  -6.857   3.742  -5.965
   83   HG22  THR   9          1HG2      THR   9  -6.232   2.161  -5.500
   84   HG23  THR   9          2HG2      THR   9  -5.137   3.536  -5.636
   85    H    GLU  10           H        GLU  10  -3.167   3.684  -4.026
   86    HA   GLU  10           HA       GLU  10  -2.590   1.625  -5.779
   87    HB2  GLU  10           2HB      GLU  10  -0.857   3.031  -6.140
   88    HB3  GLU  10           1HB      GLU  10  -1.425   3.979  -4.783
   89    HG2  GLU  10           2HG      GLU  10   0.836   3.562  -4.350
   90    HG3  GLU  10           1HG      GLU  10  -0.059   2.475  -3.298
   91    H    LYS  11           H        LYS  11  -2.040   1.989  -2.376
   92    HA   LYS  11           HA       LYS  11  -0.484  -0.371  -2.017
   93    HB2  LYS  11           2HB      LYS  11  -2.065   1.144   0.006
   94    HB3  LYS  11           1HB      LYS  11  -0.684   0.094   0.299
   95    HG2  LYS  11           2HG      LYS  11   0.812   1.616  -0.609
   96    HG3  LYS  11           1HG      LYS  11  -0.470   2.528  -1.405
   97    HD2  LYS  11           2HD      LYS  11   0.697   3.031   1.116
   98    HD3  LYS  11           1HD      LYS  11  -0.654   3.874   0.360
   99    HE2  LYS  11           2HE      LYS  11  -2.242   2.426   1.400
  100    HE3  LYS  11           1HE      LYS  11  -0.972   1.338   1.960
  101    HZ1  LYS  11           3HZ      LYS  11  -0.215   3.643   3.082
  102    HZ2  LYS  11           1HZ      LYS  11  -1.197   2.500   3.853
  103    HZ3  LYS  11           2HZ      LYS  11  -1.895   3.842   3.094
  104    H    LEU  12           H        LEU  12  -3.815   0.465  -2.016
  105    HA   LEU  12           HA       LEU  12  -4.489  -2.101  -0.851
  106    HB2  LEU  12           2HB      LEU  12  -6.823  -0.788  -1.616
  107    HB3  LEU  12           1HB      LEU  12  -6.255  -1.243  -0.038
  108    HG   LEU  12           HG       LEU  12  -6.400   1.375  -1.289
  109   HD11  LEU  12          1HD1      LEU  12  -7.031  -0.037   1.081
  110   HD12  LEU  12          2HD1      LEU  12  -7.549   1.561   0.556
  111   HD13  LEU  12          3HD1      LEU  12  -6.060   1.373   1.477
  112   HD21  LEU  12          3HD2      LEU  12  -4.138   1.625  -1.292
  113   HD22  LEU  12          1HD2      LEU  12  -3.879   0.386  -0.080
  114   HD23  LEU  12          2HD2      LEU  12  -4.433   1.977   0.404
  115    H    ALA  13           H        ALA  13  -4.409  -0.267  -3.691
  116    HA   ALA  13           HA       ALA  13  -5.924  -1.986  -5.353
  117    HB1  ALA  13           1HB      ALA  13  -5.179   0.210  -6.169
  118    HB2  ALA  13           2HB      ALA  13  -4.554  -1.071  -7.206
  119    HB3  ALA  13           3HB      ALA  13  -3.497  -0.300  -6.024
  120    H    ARG  14           H        ARG  14  -3.077  -2.171  -3.490
  121    HA   ARG  14           HA       ARG  14  -2.260  -4.655  -4.908
  122    HB2  ARG  14           2HB      ARG  14  -0.068  -4.284  -3.889
  123    HB3  ARG  14           1HB      ARG  14  -0.559  -2.876  -4.838
  124    HG2  ARG  14           2HG      ARG  14  -0.478  -1.572  -3.050
  125    HG3  ARG  14           1HG      ARG  14  -1.547  -2.653  -2.174
  126    HD2  ARG  14           2HD      ARG  14   0.691  -2.223  -1.143
  127    HD3  ARG  14           1HD      ARG  14   0.191  -3.905  -1.323
  128    HE   ARG  14           HE       ARG  14   2.099  -4.205  -2.525
  129   HH11  ARG  14          1HH1      ARG  14   1.117  -0.875  -2.970
  130   HH12  ARG  14          2HH1      ARG  14   2.365  -0.533  -4.115
  131   HH21  ARG  14          1HH2      ARG  14   3.759  -3.736  -4.001
  132   HH22  ARG  14          2HH2      ARG  14   3.877  -2.149  -4.685
  133    H    PHE  15           H        PHE  15  -3.626  -3.361  -1.995
  134    HA   PHE  15           HA       PHE  15  -3.007  -5.923  -0.692
  135    HB2  PHE  15           2HB      PHE  15  -2.864  -4.889   1.442
  136    HB3  PHE  15           1HB      PHE  15  -1.831  -4.013   0.335
  137    HD1  PHE  15           2HD      PHE  15  -5.460  -3.718   1.222
  138    HD2  PHE  15           1HD      PHE  15  -1.640  -1.892   0.922
  139    HE1  PHE  15           2HE      PHE  15  -6.395  -1.644   1.984
  140    HE2  PHE  15           1HE      PHE  15  -2.555   0.183   1.694
  141    HZ   PHE  15           HZ       PHE  15  -4.952   0.346   2.284
  142    H    GLN  16           H        GLN  16  -5.479  -3.509  -1.198
  143    HA   GLN  16           HA       GLN  16  -7.508  -4.591   0.357
  144    HB2  GLN  16           2HB      GLN  16  -7.360  -2.961  -2.104
  145    HB3  GLN  16           1HB      GLN  16  -8.899  -3.745  -1.778
  146    HG2  GLN  16           2HG      GLN  16  -7.585  -2.319   0.440
  147    HG3  GLN  16           1HG      GLN  16  -8.280  -1.350  -0.858
  148   HE21  GLN  16          1HE2      GLN  16  -9.643  -0.594   0.955
  149   HE22  GLN  16          2HE2      GLN  16 -11.079  -1.483   1.320
  150    H    ARG  17           H        ARG  17  -5.913  -5.913  -2.320
  151    HA   ARG  17           HA       ARG  17  -7.503  -7.435  -3.804
  152    HB2  ARG  17           2HB      ARG  17  -5.645  -9.297  -3.157
  153    HB3  ARG  17           1HB      ARG  17  -5.383  -7.986  -4.298
  154    HG2  ARG  17           2HG      ARG  17  -4.145  -6.729  -2.763
  155    HG3  ARG  17           1HG      ARG  17  -4.792  -7.617  -1.383
  156    HD2  ARG  17           2HD      ARG  17  -3.598  -9.626  -2.180
  157    HD3  ARG  17           1HD      ARG  17  -2.871  -8.646  -3.451
  158    HE   ARG  17           HE       ARG  17  -1.379  -7.872  -1.913
  159   HH11  ARG  17          1HH1      ARG  17  -4.171  -9.090  -0.208
  160   HH12  ARG  17          2HH1      ARG  17  -3.477  -8.844   1.359
  161   HH21  ARG  17          1HH2      ARG  17  -0.464  -7.550   0.148
  162   HH22  ARG  17          2HH2      ARG  17  -1.373  -7.971   1.562
  163    H    SER  18           H        SER  18  -6.783  -7.953  -0.464
  164    HA   SER  18           HA       SER  18  -7.596 -10.425   0.193
  165    HB2  SER  18           2HB      SER  18  -7.400  -7.939   1.505
  166    HB3  SER  18           1HB      SER  18  -8.973  -8.605   1.939
  167    HG   SER  18           HG       SER  18  -6.469  -9.411   2.687
  168    H    SER  19           H        SER  19  -9.609  -7.801  -0.803
  169    HA   SER  19           HA       SER  19 -11.920  -9.622  -0.947
  170    HB2  SER  19           2HB      SER  19 -11.711  -6.915   0.245
  171    HB3  SER  19           1HB      SER  19 -13.163  -7.243  -0.700
  172    HG   SER  19           HG       SER  19 -13.558  -7.859   1.401
  173    H    ALA  20           H        ALA  20  -9.872  -7.401  -2.505
  174    HA   ALA  20           HA       ALA  20 -11.504  -6.357  -4.513
  175    HB1  ALA  20           1HB      ALA  20  -8.765  -7.134  -5.294
  176    HB2  ALA  20           2HB      ALA  20  -8.924  -6.049  -3.911
  177    HB3  ALA  20           3HB      ALA  20  -9.603  -5.592  -5.474
  178    H    LYS  21           H        LYS  21 -10.030  -9.476  -4.210
  179    HA   LYS  21           HA       LYS  21 -11.460 -10.368  -6.602
  180    HB2  LYS  21           2HB      LYS  21  -8.811 -11.455  -5.684
  181    HB3  LYS  21           1HB      LYS  21  -9.693 -11.892  -7.139
  182    HG2  LYS  21           2HG      LYS  21  -8.580 -10.343  -8.262
  183    HG3  LYS  21           1HG      LYS  21  -9.294  -9.102  -7.231
  184    HD2  LYS  21           2HD      LYS  21  -7.365  -8.758  -6.161
  185    HD3  LYS  21           1HD      LYS  21  -7.114 -10.485  -5.908
  186    HE2  LYS  21           2HE      LYS  21  -5.367  -9.257  -7.291
  187    HE3  LYS  21           1HE      LYS  21  -6.030 -10.741  -7.975
  188    HZ1  LYS  21           3HZ      LYS  21  -7.038  -9.631  -9.636
  189    HZ2  LYS  21           1HZ      LYS  21  -5.851  -8.465  -9.325
  190    HZ3  LYS  21           2HZ      LYS  21  -7.406  -8.282  -8.685
  191    H    LYS  22           H        LYS  22 -12.921 -10.604  -4.783
  192    HA   LYS  22           HA       LYS  22 -12.586 -12.628  -2.828
  193    HB2  LYS  22           2HB      LYS  22 -14.169 -10.738  -2.597
  194    HB3  LYS  22           1HB      LYS  22 -15.157 -11.436  -3.872
  195    HG2  LYS  22           2HG      LYS  22 -14.794 -13.483  -2.005
  196    HG3  LYS  22           1HG      LYS  22 -15.108 -12.027  -1.061
  197    HD2  LYS  22           2HD      LYS  22 -16.921 -11.995  -3.221
  198    HD3  LYS  22           1HD      LYS  22 -16.938 -13.635  -2.573
  199    HE2  LYS  22           2HE      LYS  22 -17.989 -12.999  -0.703
  200    HE3  LYS  22           1HE      LYS  22 -16.955 -11.586  -0.501
  201    HZ1  LYS  22           3HZ      LYS  22 -18.755 -11.274  -2.692
  202    HZ2  LYS  22           1HZ      LYS  22 -18.516 -10.276  -1.346
  203    HZ3  LYS  22           2HZ      LYS  22 -19.587 -11.581  -1.252
  204    H    LYS  23           H        LYS  23 -13.308 -12.779  -6.146
  205    HA   LYS  23           HA       LYS  23 -13.949 -15.619  -5.867
  206    HB2  LYS  23           2HB      LYS  23 -15.598 -15.405  -7.732
  207    HB3  LYS  23           1HB      LYS  23 -16.092 -14.601  -6.249
  208    HG2  LYS  23           2HG      LYS  23 -14.899 -12.544  -7.458
  209    HG3  LYS  23           1HG      LYS  23 -15.387 -13.464  -8.882
  210    HD2  LYS  23           2HD      LYS  23 -17.351 -12.968  -6.684
  211    HD3  LYS  23           1HD      LYS  23 -17.005 -11.695  -7.856
  212    HE2  LYS  23           2HE      LYS  23 -18.154 -12.727  -9.479
  213    HE3  LYS  23           1HE      LYS  23 -17.477 -14.304  -9.078
  214    HZ1  LYS  23           3HZ      LYS  23 -19.101 -13.973  -7.023
  215    HZ2  LYS  23           1HZ      LYS  23 -19.603 -14.684  -8.473
  216    HZ3  LYS  23           2HZ      LYS  23 -19.944 -13.057  -8.167
  217    H    ARG  24           H        ARG  24 -11.485 -15.058  -6.328
  218    HA   ARG  24           HA       ARG  24 -11.081 -15.175  -9.238
  219    HB2  ARG  24           2HB      ARG  24  -9.812 -13.360  -8.639
  220    HB3  ARG  24           1HB      ARG  24  -9.532 -13.955  -7.010
  221    HG2  ARG  24           2HG      ARG  24  -7.642 -15.027  -7.583
  222    HG3  ARG  24           1HG      ARG  24  -8.258 -15.500  -9.166
  223    HD2  ARG  24           2HD      ARG  24  -8.023 -12.710  -9.244
  224    HD3  ARG  24           1HD      ARG  24  -6.559 -13.291  -8.452
  225    HE   ARG  24           HE       ARG  24  -5.853 -13.992 -10.494
  226   HH11  ARG  24          1HH1      ARG  24  -9.342 -13.943 -10.527
  227   HH12  ARG  24          2HH1      ARG  24  -9.457 -14.441 -12.182
  228   HH21  ARG  24          1HH2      ARG  24  -6.003 -14.646 -12.670
  229   HH22  ARG  24          2HH2      ARG  24  -7.562 -14.841 -13.399
  Start of MODEL    2
    1    H2   PRO   1           1HT      PRO   1  -2.515  15.945  -2.525
    2    H3   PRO   1           2HT      PRO   1  -0.910  16.308  -2.509
    3    HA   PRO   1           HA       PRO   1  -0.374  14.839  -3.882
    4    HB2  PRO   1           2HB      PRO   1  -2.135  12.644  -3.574
    5    HB3  PRO   1           1HB      PRO   1  -0.446  12.748  -3.066
    6    HG2  PRO   1           2HG      PRO   1  -2.926  13.212  -1.498
    7    HG3  PRO   1           1HG      PRO   1  -1.360  12.573  -0.967
    8    HD2  PRO   1           2HD      PRO   1  -2.101  15.052  -0.328
    9    HD3  PRO   1           1HD      PRO   1  -0.419  14.701  -0.772
   10    H    LEU   2           H        LEU   2  -3.755  13.781  -3.613
   11    HA   LEU   2           HA       LEU   2  -4.292  15.127  -6.171
   12    HB2  LEU   2           2HB      LEU   2  -5.886  12.719  -5.514
   13    HB3  LEU   2           1HB      LEU   2  -5.260  13.263  -7.055
   14    HG   LEU   2           HG       LEU   2  -2.958  12.513  -6.031
   15   HD11  LEU   2          1HD1      LEU   2  -2.979  11.062  -4.290
   16   HD12  LEU   2          2HD1      LEU   2  -4.571  10.427  -4.697
   17   HD13  LEU   2          3HD1      LEU   2  -4.428  11.971  -3.862
   18   HD21  LEU   2          3HD2      LEU   2  -3.772  11.514  -8.007
   19   HD22  LEU   2          1HD2      LEU   2  -5.116  10.749  -7.159
   20   HD23  LEU   2          2HD2      LEU   2  -3.468  10.182  -6.892
   21    H    SER   3           H        SER   3  -7.045  13.546  -5.025
   22    HA   SER   3           HA       SER   3  -7.896  15.830  -3.411
   23    HB2  SER   3           2HB      SER   3  -9.825  14.627  -5.367
   24    HB3  SER   3           1HB      SER   3  -9.818  16.240  -4.654
   25    HG   SER   3           HG       SER   3  -9.019  15.690  -7.010
   26    H    ARG   4           H        ARG   4  -7.786  12.506  -4.096
   27    HA   ARG   4           HA       ARG   4  -9.707  11.887  -1.964
   28    HB2  ARG   4           2HB      ARG   4 -10.218   9.906  -3.107
   29    HB3  ARG   4           1HB      ARG   4 -10.092  11.121  -4.371
   30    HG2  ARG   4           2HG      ARG   4  -7.561  10.207  -4.348
   31    HG3  ARG   4           1HG      ARG   4  -8.420   8.745  -3.860
   32    HD2  ARG   4           2HD      ARG   4  -9.143  10.430  -6.253
   33    HD3  ARG   4           1HD      ARG   4  -8.096   9.015  -6.327
   34    HE   ARG   4           HE       ARG   4 -10.656   8.507  -5.118
   35   HH11  ARG   4          1HH1      ARG   4  -8.880   8.650  -8.119
   36   HH12  ARG   4          2HH1      ARG   4  -9.968   7.596  -8.958
   37   HH21  ARG   4          1HH2      ARG   4 -12.090   7.122  -6.220
   38   HH22  ARG   4          2HH2      ARG   4 -11.791   6.729  -7.880
   39    H    GLY   5           H        GLY   5  -6.584  11.256  -3.322
   40    HA2  GLY   5           2HA      GLY   5  -4.643  10.742  -2.075
   41    HA3  GLY   5           1HA      GLY   5  -5.670  10.158  -0.770
   42    H    LYS   6           H        LYS   6  -6.054   9.336  -4.168
   43    HA   LYS   6           HA       LYS   6  -6.315   6.610  -3.682
   44    HB2  LYS   6           2HB      LYS   6  -5.893   6.307  -6.102
   45    HB3  LYS   6           1HB      LYS   6  -7.186   7.417  -5.678
   46    HG2  LYS   6           2HG      LYS   6  -6.236   9.027  -6.879
   47    HG3  LYS   6           1HG      LYS   6  -4.758   8.890  -5.926
   48    HD2  LYS   6           2HD      LYS   6  -3.830   8.290  -7.887
   49    HD3  LYS   6           1HD      LYS   6  -4.542   6.715  -7.533
   50    HE2  LYS   6           2HE      LYS   6  -6.463   7.214  -8.882
   51    HE3  LYS   6           1HE      LYS   6  -5.926   8.878  -9.111
   52    HZ1  LYS   6           3HZ      LYS   6  -4.752   6.407 -10.234
   53    HZ2  LYS   6           1HZ      LYS   6  -3.890   7.863 -10.191
   54    HZ3  LYS   6           2HZ      LYS   6  -5.336   7.761 -11.061
   55    H    LYS   7           H        LYS   7  -3.522   8.503  -3.730
   56    HA   LYS   7           HA       LYS   7  -1.545   6.758  -4.625
   57    HB2  LYS   7           2HB      LYS   7  -0.039   7.964  -3.199
   58    HB3  LYS   7           1HB      LYS   7  -1.210   9.111  -3.828
   59    HG2  LYS   7           2HG      LYS   7  -1.965   7.943  -1.261
   60    HG3  LYS   7           1HG      LYS   7  -0.469   8.874  -1.218
   61    HD2  LYS   7           2HD      LYS   7  -1.532  10.833  -1.919
   62    HD3  LYS   7           1HD      LYS   7  -2.938   9.957  -2.528
   63    HE2  LYS   7           2HE      LYS   7  -3.452  11.137  -0.449
   64    HE3  LYS   7           1HE      LYS   7  -3.588   9.390  -0.249
   65    HZ1  LYS   7           3HZ      LYS   7  -2.373  10.743   1.538
   66    HZ2  LYS   7           1HZ      LYS   7  -1.085  10.787   0.442
   67    HZ3  LYS   7           2HZ      LYS   7  -1.664   9.302   1.008
   68    H    TRP   8           H        TRP   8  -3.670   6.697  -2.052
   69    HA   TRP   8           HA       TRP   8  -2.322   4.814  -0.334
   70    HB2  TRP   8           2HB      TRP   8  -4.131   4.982   1.110
   71    HB3  TRP   8           1HB      TRP   8  -4.281   6.515   0.261
   72    HD1  TRP   8           HD       TRP   8  -5.874   5.984  -2.161
   73    HE1  TRP   8           1HE      TRP   8  -8.244   5.054  -2.202
   74    HE3  TRP   8           3HE      TRP   8  -5.851   3.670   2.361
   75    HZ2  TRP   8           2HZ      TRP   8  -9.914   3.537  -0.501
   76    HZ3  TRP   8           3HZ      TRP   8  -7.874   2.509   3.096
   77    HH2  TRP   8           HH       TRP   8  -9.851   2.422   1.684
   78    H    THR   9           H        THR   9  -4.760   4.800  -2.770
   79    HA   THR   9           HA       THR   9  -5.456   2.106  -2.649
   80    HB   THR   9           HB       THR   9  -6.090   4.414  -4.196
   81    HG1  THR   9           1HG      THR   9  -8.033   3.375  -4.416
   82   HG21  THR   9          3HG2      THR   9  -4.923   3.524  -6.049
   83   HG22  THR   9          1HG2      THR   9  -6.645   3.278  -6.324
   84   HG23  THR   9          2HG2      THR   9  -5.635   1.932  -5.807
   85    H    GLU  10           H        GLU  10  -3.010   3.856  -4.223
   86    HA   GLU  10           HA       GLU  10  -2.128   1.988  -6.031
   87    HB2  GLU  10           2HB      GLU  10  -0.971   3.943  -6.261
   88    HB3  GLU  10           1HB      GLU  10  -1.126   4.309  -4.554
   89    HG2  GLU  10           2HG      GLU  10   1.222   4.007  -5.387
   90    HG3  GLU  10           1HG      GLU  10   0.765   3.047  -3.985
   91    H    LYS  11           H        LYS  11  -1.217   2.522  -2.741
   92    HA   LYS  11           HA       LYS  11   0.295   0.044  -2.603
   93    HB2  LYS  11           2HB      LYS  11   0.589   0.925  -0.224
   94    HB3  LYS  11           1HB      LYS  11   1.422   1.706  -1.561
   95    HG2  LYS  11           2HG      LYS  11   0.352   3.631  -1.243
   96    HG3  LYS  11           1HG      LYS  11  -1.201   2.817  -1.070
   97    HD2  LYS  11           2HD      LYS  11   0.885   3.054   1.079
   98    HD3  LYS  11           1HD      LYS  11  -0.582   4.029   0.954
   99    HE2  LYS  11           2HE      LYS  11  -1.907   2.369   1.700
  100    HE3  LYS  11           1HE      LYS  11  -1.001   1.123   0.845
  101    HZ1  LYS  11           3HZ      LYS  11  -0.954   1.176   3.406
  102    HZ2  LYS  11           1HZ      LYS  11   0.161   2.435   3.216
  103    HZ3  LYS  11           2HZ      LYS  11   0.493   0.906   2.574
  104    H    LEU  12           H        LEU  12  -2.584   1.479  -1.464
  105    HA   LEU  12           HA       LEU  12  -3.007  -0.841   0.207
  106    HB2  LEU  12           2HB      LEU  12  -3.680   0.559   1.730
  107    HB3  LEU  12           1HB      LEU  12  -3.314   1.857   0.658
  108    HG   LEU  12           HG       LEU  12  -5.426   2.349   1.287
  109   HD11  LEU  12          1HD1      LEU  12  -6.505   2.409  -0.654
  110   HD12  LEU  12          2HD1      LEU  12  -6.448   0.668  -0.857
  111   HD13  LEU  12          3HD1      LEU  12  -5.045   1.656  -1.258
  112   HD21  LEU  12          3HD2      LEU  12  -7.194   0.725   1.648
  113   HD22  LEU  12          1HD2      LEU  12  -5.770   0.342   2.606
  114   HD23  LEU  12          2HD2      LEU  12  -6.114  -0.560   1.131
  115    H    ALA  13           H        ALA  13  -4.035   0.505  -2.723
  116    HA   ALA  13           HA       ALA  13  -6.518  -1.089  -2.625
  117    HB1  ALA  13           1HB      ALA  13  -6.476   1.095  -3.882
  118    HB2  ALA  13           2HB      ALA  13  -7.110  -0.284  -4.760
  119    HB3  ALA  13           3HB      ALA  13  -5.479   0.291  -5.084
  120    H    ARG  14           H        ARG  14  -3.246  -1.313  -3.241
  121    HA   ARG  14           HA       ARG  14  -3.386  -3.509  -5.153
  122    HB2  ARG  14           2HB      ARG  14  -0.973  -3.720  -4.543
  123    HB3  ARG  14           1HB      ARG  14  -1.402  -2.084  -5.051
  124    HG2  ARG  14           2HG      ARG  14  -0.900  -1.233  -3.063
  125    HG3  ARG  14           1HG      ARG  14  -1.804  -2.466  -2.207
  126    HD2  ARG  14           2HD      ARG  14   0.786  -2.199  -1.926
  127    HD3  ARG  14           1HD      ARG  14  -0.010  -3.769  -1.885
  128    HE   ARG  14           HE       ARG  14   1.366  -4.322  -3.610
  129   HH11  ARG  14          1HH1      ARG  14   0.630  -0.911  -3.991
  130   HH12  ARG  14          2HH1      ARG  14   1.444  -0.784  -5.507
  131   HH21  ARG  14          1HH2      ARG  14   2.450  -4.127  -5.588
  132   HH22  ARG  14          2HH2      ARG  14   2.487  -2.600  -6.404
  133    H    PHE  15           H        PHE  15  -3.690  -2.886  -1.815
  134    HA   PHE  15           HA       PHE  15  -3.373  -5.744  -1.190
  135    HB2  PHE  15           2HB      PHE  15  -2.609  -5.117   0.949
  136    HB3  PHE  15           1HB      PHE  15  -1.787  -4.069  -0.189
  137    HD1  PHE  15           1HD      PHE  15  -5.218  -3.636   1.185
  138    HD2  PHE  15           2HD      PHE  15  -1.190  -2.290   1.082
  139    HE1  PHE  15           1HE      PHE  15  -5.826  -1.773   2.544
  140    HE2  PHE  15           2HE      PHE  15  -1.793  -0.402   2.452
  141    HZ   PHE  15           HZ       PHE  15  -4.120  -0.138   3.254
  142    H    GLN  16           H        GLN  16  -5.580  -3.265  -1.511
  143    HA   GLN  16           HA       GLN  16  -7.430  -3.708   0.510
  144    HB2  GLN  16           2HB      GLN  16  -8.890  -2.415  -0.759
  145    HB3  GLN  16           1HB      GLN  16  -7.307  -1.884  -1.288
  146    HG2  GLN  16           2HG      GLN  16  -7.868  -2.305  -3.379
  147    HG3  GLN  16           1HG      GLN  16  -8.072  -4.009  -2.982
  148   HE21  GLN  16          1HE2      GLN  16  -9.547  -1.519  -4.398
  149   HE22  GLN  16          2HE2      GLN  16 -11.203  -1.919  -4.108
  150    H    ARG  17           H        ARG  17  -6.350  -5.999  -1.498
  151    HA   ARG  17           HA       ARG  17  -8.376  -7.387  -2.637
  152    HB2  ARG  17           2HB      ARG  17  -6.945  -9.431  -1.607
  153    HB3  ARG  17           1HB      ARG  17  -6.451  -8.507  -3.017
  154    HG2  ARG  17           2HG      ARG  17  -4.924  -7.202  -1.737
  155    HG3  ARG  17           1HG      ARG  17  -5.574  -7.820  -0.218
  156    HD2  ARG  17           2HD      ARG  17  -4.742 -10.011  -1.857
  157    HD3  ARG  17           1HD      ARG  17  -3.435  -8.836  -1.743
  158    HE   ARG  17           HE       ARG  17  -3.283  -9.238   0.540
  159   HH11  ARG  17          1HH1      ARG  17  -5.944 -11.029  -0.849
  160   HH12  ARG  17          2HH1      ARG  17  -6.143 -12.043   0.540
  161   HH21  ARG  17          1HH2      ARG  17  -3.552 -10.570   2.362
  162   HH22  ARG  17          2HH2      ARG  17  -4.789 -11.782   2.361
  163    H    SER  18           H        SER  18  -7.276  -7.723   0.679
  164    HA   SER  18           HA       SER  18  -9.690  -9.229   1.357
  165    HB2  SER  18           2HB      SER  18  -7.489  -8.594   3.287
  166    HB3  SER  18           1HB      SER  18  -8.605  -9.960   3.283
  167    HG   SER  18           HG       SER  18  -7.080 -10.985   2.273
  168    H    SER  19           H        SER  19  -8.766  -6.066   1.263
  169    HA   SER  19           HA       SER  19  -9.618  -4.998   3.705
  170    HB2  SER  19           2HB      SER  19  -9.358  -3.952   0.929
  171    HB3  SER  19           1HB      SER  19 -10.290  -3.000   2.080
  172    HG   SER  19           HG       SER  19  -8.450  -2.336   2.821
  173    H    ALA  20           H        ALA  20 -11.395  -6.704   1.449
  174    HA   ALA  20           HA       ALA  20 -13.858  -5.464   1.308
  175    HB1  ALA  20           1HB      ALA  20 -13.767  -7.301  -0.041
  176    HB2  ALA  20           2HB      ALA  20 -14.677  -7.973   1.312
  177    HB3  ALA  20           3HB      ALA  20 -12.947  -8.283   1.173
  178    H    LYS  21           H        LYS  21 -12.473  -7.303   3.903
  179    HA   LYS  21           HA       LYS  21 -14.751  -6.581   5.585
  180    HB2  LYS  21           2HB      LYS  21 -13.545  -8.885   6.688
  181    HB3  LYS  21           1HB      LYS  21 -15.177  -8.694   6.071
  182    HG2  LYS  21           2HG      LYS  21 -12.916  -9.282   4.205
  183    HG3  LYS  21           1HG      LYS  21 -13.679 -10.576   5.131
  184    HD2  LYS  21           2HD      LYS  21 -15.813 -10.111   4.148
  185    HD3  LYS  21           1HD      LYS  21 -15.195  -8.649   3.376
  186    HE2  LYS  21           2HE      LYS  21 -15.109 -10.106   1.613
  187    HE3  LYS  21           1HE      LYS  21 -13.497 -10.339   2.289
  188    HZ1  LYS  21           3HZ      LYS  21 -14.252 -12.483   2.003
  189    HZ2  LYS  21           1HZ      LYS  21 -15.843 -12.114   2.447
  190    HZ3  LYS  21           2HZ      LYS  21 -14.634 -12.204   3.627
  191    H    LYS  22           H        LYS  22 -13.235  -4.831   5.731
  192    HA   LYS  22           HA       LYS  22 -11.197  -5.273   7.806
  193    HB2  LYS  22           2HB      LYS  22 -10.411  -4.395   5.567
  194    HB3  LYS  22           1HB      LYS  22 -11.306  -2.923   5.919
  195    HG2  LYS  22           2HG      LYS  22  -9.832  -2.238   7.513
  196    HG3  LYS  22           1HG      LYS  22  -9.367  -3.884   7.948
  197    HD2  LYS  22           2HD      LYS  22  -7.473  -3.165   6.858
  198    HD3  LYS  22           1HD      LYS  22  -8.360  -3.913   5.529
  199    HE2  LYS  22           2HE      LYS  22  -9.054  -1.831   4.681
  200    HE3  LYS  22           1HE      LYS  22  -8.613  -0.989   6.166
  201    HZ1  LYS  22           3HZ      LYS  22  -6.663  -2.289   4.344
  202    HZ2  LYS  22           1HZ      LYS  22  -6.309  -1.321   5.686
  203    HZ3  LYS  22           2HZ      LYS  22  -7.035  -0.639   4.320
  204    H    LYS  23           H        LYS  23 -14.174  -3.797   7.117
  205    HA   LYS  23           HA       LYS  23 -14.091  -2.418   9.693
  206    HB2  LYS  23           2HB      LYS  23 -15.602  -0.640   8.497
  207    HB3  LYS  23           1HB      LYS  23 -13.852  -0.523   8.395
  208    HG2  LYS  23           2HG      LYS  23 -14.167  -0.333   6.199
  209    HG3  LYS  23           1HG      LYS  23 -14.463  -2.071   6.217
  210    HD2  LYS  23           2HD      LYS  23 -16.896  -1.496   6.684
  211    HD3  LYS  23           1HD      LYS  23 -16.473   0.164   6.258
  212    HE2  LYS  23           2HE      LYS  23 -17.315  -0.810   4.283
  213    HE3  LYS  23           1HE      LYS  23 -15.563  -0.770   4.089
  214    HZ1  LYS  23           3HZ      LYS  23 -15.853  -3.168   5.168
  215    HZ2  LYS  23           1HZ      LYS  23 -15.910  -2.903   3.497
  216    HZ3  LYS  23           2HZ      LYS  23 -17.346  -3.051   4.380
  217    H    ARG  24           H        ARG  24 -15.119  -4.763   9.699
  218    HA   ARG  24           HA       ARG  24 -18.025  -4.331   9.682
  219    HB2  ARG  24           2HB      ARG  24 -16.558  -6.756   8.640
  220    HB3  ARG  24           1HB      ARG  24 -18.282  -6.737   8.981
  221    HG2  ARG  24           2HG      ARG  24 -17.594  -4.510   7.312
  222    HG3  ARG  24           1HG      ARG  24 -16.989  -6.010   6.606
  223    HD2  ARG  24           2HD      ARG  24 -19.231  -5.558   5.808
  224    HD3  ARG  24           1HD      ARG  24 -19.228  -6.998   6.826
  225    HE   ARG  24           HE       ARG  24 -19.868  -5.028   8.559
  226   HH11  ARG  24          1HH1      ARG  24 -21.155  -5.972   5.456
  227   HH12  ARG  24          2HH1      ARG  24 -22.759  -5.428   5.816
  228   HH21  ARG  24          1HH2      ARG  24 -21.976  -4.313   9.035
  229   HH22  ARG  24          2HH2      ARG  24 -23.226  -4.486   7.847
  Start of MODEL    3
    1    H2   PRO   1           1HT      PRO   1  -1.282  15.617  -3.576
    2    H3   PRO   1           2HT      PRO   1   0.326  15.802  -3.873
    3    HA   PRO   1           HA       PRO   1   0.395  14.392  -5.399
    4    HB2  PRO   1           2HB      PRO   1  -1.499  12.367  -4.839
    5    HB3  PRO   1           1HB      PRO   1   0.259  12.268  -4.681
    6    HG2  PRO   1           2HG      PRO   1  -1.797  12.867  -2.621
    7    HG3  PRO   1           1HG      PRO   1  -0.240  12.037  -2.451
    8    HD2  PRO   1           2HD      PRO   1  -0.555  14.528  -1.556
    9    HD3  PRO   1           1HD      PRO   1   0.955  14.038  -2.346
   10    H    LEU   2           H        LEU   2  -2.956  13.714  -4.432
   11    HA   LEU   2           HA       LEU   2  -3.847  15.147  -6.840
   12    HB2  LEU   2           2HB      LEU   2  -5.603  13.064  -5.663
   13    HB3  LEU   2           1HB      LEU   2  -5.326  13.479  -7.341
   14    HG   LEU   2           HG       LEU   2  -2.973  12.371  -6.870
   15   HD11  LEU   2          1HD1      LEU   2  -4.007  12.047  -4.403
   16   HD12  LEU   2          2HD1      LEU   2  -2.804  10.968  -5.110
   17   HD13  LEU   2          3HD1      LEU   2  -4.511  10.535  -5.157
   18   HD21  LEU   2          3HD2      LEU   2  -4.329  11.512  -8.573
   19   HD22  LEU   2          1HD2      LEU   2  -5.603  11.045  -7.445
   20   HD23  LEU   2          2HD2      LEU   2  -4.085  10.147  -7.481
   21    H    SER   3           H        SER   3  -6.475  14.113  -4.993
   22    HA   SER   3           HA       SER   3  -6.525  16.555  -3.386
   23    HB2  SER   3           2HB      SER   3  -7.830  16.815  -5.568
   24    HB3  SER   3           1HB      SER   3  -8.935  15.593  -4.937
   25    HG   SER   3           HG       SER   3  -9.652  17.703  -4.453
   26    H    ARG   4           H        ARG   4  -6.989  13.241  -3.756
   27    HA   ARG   4           HA       ARG   4  -8.489  13.048  -1.240
   28    HB2  ARG   4           2HB      ARG   4  -9.511  11.107  -2.059
   29    HB3  ARG   4           1HB      ARG   4  -9.495  12.200  -3.432
   30    HG2  ARG   4           2HG      ARG   4  -7.174  10.898  -3.837
   31    HG3  ARG   4           1HG      ARG   4  -8.107   9.627  -3.047
   32    HD2  ARG   4           2HD      ARG   4  -9.246  11.242  -5.304
   33    HD3  ARG   4           1HD      ARG   4  -8.218   9.848  -5.611
   34    HE   ARG   4           HE       ARG   4  -9.875   8.444  -4.709
   35   HH11  ARG   4          1HH1      ARG   4 -10.872  11.797  -4.745
   36   HH12  ARG   4          2HH1      ARG   4 -12.547  11.424  -4.525
   37   HH21  ARG   4          1HH2      ARG   4 -12.077   7.966  -4.421
   38   HH22  ARG   4          2HH2      ARG   4 -13.231   9.255  -4.339
   39    H    GLY   5           H        GLY   5  -5.845  11.898  -3.150
   40    HA2  GLY   5           2HA      GLY   5  -3.754  11.207  -2.266
   41    HA3  GLY   5           1HA      GLY   5  -4.563  10.805  -0.754
   42    H    LYS   6           H        LYS   6  -5.809   9.909  -3.900
   43    HA   LYS   6           HA       LYS   6  -6.185   7.225  -3.223
   44    HB2  LYS   6           2HB      LYS   6  -6.488   6.826  -5.626
   45    HB3  LYS   6           1HB      LYS   6  -7.468   8.128  -4.969
   46    HG2  LYS   6           2HG      LYS   6  -6.387   9.736  -6.173
   47    HG3  LYS   6           1HG      LYS   6  -4.859   8.856  -6.170
   48    HD2  LYS   6           2HD      LYS   6  -5.826   8.950  -8.414
   49    HD3  LYS   6           1HD      LYS   6  -5.745   7.291  -7.820
   50    HE2  LYS   6           2HE      LYS   6  -8.249   8.669  -7.188
   51    HE3  LYS   6           1HE      LYS   6  -7.953   8.475  -8.914
   52    HZ1  LYS   6           3HZ      LYS   6  -7.483   6.133  -7.252
   53    HZ2  LYS   6           1HZ      LYS   6  -8.174   6.248  -8.793
   54    HZ3  LYS   6           2HZ      LYS   6  -9.096   6.611  -7.422
   55    H    LYS   7           H        LYS   7  -3.352   8.838  -4.032
   56    HA   LYS   7           HA       LYS   7  -1.843   6.930  -5.358
   57    HB2  LYS   7           2HB      LYS   7   0.066   7.857  -3.935
   58    HB3  LYS   7           1HB      LYS   7  -0.808   9.010  -4.931
   59    HG2  LYS   7           2HG      LYS   7  -0.729  10.191  -2.999
   60    HG3  LYS   7           1HG      LYS   7  -2.216   9.291  -2.702
   61    HD2  LYS   7           2HD      LYS   7  -0.654   7.525  -1.640
   62    HD3  LYS   7           1HD      LYS   7   0.521   8.841  -1.579
   63    HE2  LYS   7           2HE      LYS   7  -0.863  10.140  -0.174
   64    HE3  LYS   7           1HE      LYS   7  -2.261   9.106  -0.471
   65    HZ1  LYS   7           3HZ      LYS   7  -0.015   8.718   1.342
   66    HZ2  LYS   7           1HZ      LYS   7  -0.602   7.334   0.565
   67    HZ3  LYS   7           2HZ      LYS   7  -1.637   8.273   1.517
   68    H    TRP   8           H        TRP   8  -3.249   7.027  -2.323
   69    HA   TRP   8           HA       TRP   8  -1.696   5.001  -1.004
   70    HB2  TRP   8           2HB      TRP   8  -3.050   5.296   0.840
   71    HB3  TRP   8           1HB      TRP   8  -3.282   6.852   0.049
   72    HD1  TRP   8           HD       TRP   8  -5.491   6.713  -1.768
   73    HE1  TRP   8           1HE      TRP   8  -7.864   5.933  -1.241
   74    HE3  TRP   8           3HE      TRP   8  -4.432   3.728   2.205
   75    HZ2  TRP   8           2HZ      TRP   8  -9.130   4.258   0.660
   76    HZ3  TRP   8           3HZ      TRP   8  -6.272   2.578   3.341
   77    HH2  TRP   8           HH       TRP   8  -8.568   2.818   2.567
   78    H    THR   9           H        THR   9  -4.720   5.238  -2.700
   79    HA   THR   9           HA       THR   9  -5.776   2.753  -2.268
   80    HB   THR   9           HB       THR   9  -6.317   4.910  -3.980
   81    HG1  THR   9           1HG      THR   9  -7.792   3.669  -2.676
   82   HG21  THR   9          3HG2      THR   9  -5.225   3.716  -5.803
   83   HG22  THR   9          1HG2      THR   9  -6.964   3.866  -6.060
   84   HG23  THR   9          2HG2      THR   9  -6.282   2.332  -5.519
   85    H    GLU  10           H        GLU  10  -3.156   3.775  -4.172
   86    HA   GLU  10           HA       GLU  10  -2.719   1.663  -5.878
   87    HB2  GLU  10           2HB      GLU  10  -1.317   3.601  -5.959
   88    HB3  GLU  10           1HB      GLU  10  -0.938   3.460  -4.245
   89    HG2  GLU  10           2HG      GLU  10  -0.175   1.046  -5.422
   90    HG3  GLU  10           1HG      GLU  10   0.412   2.332  -6.467
   91    H    LYS  11           H        LYS  11  -1.940   2.168  -2.530
   92    HA   LYS  11           HA       LYS  11  -0.551  -0.213  -2.029
   93    HB2  LYS  11           2HB      LYS  11  -2.159   1.485  -0.179
   94    HB3  LYS  11           1HB      LYS  11  -0.938   0.308   0.291
   95    HG2  LYS  11           2HG      LYS  11   0.795   1.581  -0.601
   96    HG3  LYS  11           1HG      LYS  11  -0.320   2.597  -1.515
   97    HD2  LYS  11           2HD      LYS  11   0.761   3.105   1.031
   98    HD3  LYS  11           1HD      LYS  11  -0.471   4.035   0.181
   99    HE2  LYS  11           2HE      LYS  11  -2.229   2.796   1.211
  100    HE3  LYS  11           1HE      LYS  11  -1.093   1.622   1.877
  101    HZ1  LYS  11           3HZ      LYS  11  -1.460   4.453   2.685
  102    HZ2  LYS  11           1HZ      LYS  11  -0.121   3.535   3.162
  103    HZ3  LYS  11           2HZ      LYS  11  -1.678   3.066   3.629
  104    H    LEU  12           H        LEU  12  -3.851   0.569  -2.281
  105    HA   LEU  12           HA       LEU  12  -4.574  -1.933  -0.974
  106    HB2  LEU  12           2HB      LEU  12  -6.866  -0.621  -1.897
  107    HB3  LEU  12           1HB      LEU  12  -6.394  -1.053  -0.280
  108    HG   LEU  12           HG       LEU  12  -6.411   1.537  -1.608
  109   HD11  LEU  12          1HD1      LEU  12  -6.220   1.630   1.162
  110   HD12  LEU  12          2HD1      LEU  12  -7.186   0.213   0.779
  111   HD13  LEU  12          3HD1      LEU  12  -7.658   1.797   0.168
  112   HD21  LEU  12          3HD2      LEU  12  -4.150   1.753  -1.489
  113   HD22  LEU  12          1HD2      LEU  12  -3.978   0.523  -0.255
  114   HD23  LEU  12          2HD2      LEU  12  -4.519   2.130   0.185
  115    H    ALA  13           H        ALA  13  -4.464  -0.203  -3.889
  116    HA   ALA  13           HA       ALA  13  -5.858  -2.061  -5.511
  117    HB1  ALA  13           1HB      ALA  13  -3.562  -0.189  -6.117
  118    HB2  ALA  13           2HB      ALA  13  -5.263   0.037  -6.520
  119    HB3  ALA  13           3HB      ALA  13  -4.321  -1.206  -7.342
  120    H    ARG  14           H        ARG  14  -3.051  -2.056  -3.569
  121    HA   ARG  14           HA       ARG  14  -2.108  -4.568  -4.851
  122    HB2  ARG  14           2HB      ARG  14   0.051  -4.065  -3.823
  123    HB3  ARG  14           1HB      ARG  14  -0.474  -2.726  -4.847
  124    HG2  ARG  14           2HG      ARG  14  -0.420  -1.334  -3.125
  125    HG3  ARG  14           1HG      ARG  14  -1.524  -2.370  -2.235
  126    HD2  ARG  14           2HD      ARG  14   0.593  -1.935  -1.068
  127    HD3  ARG  14           1HD      ARG  14   0.234  -3.640  -1.334
  128    HE   ARG  14           HE       ARG  14   2.183  -3.785  -2.506
  129   HH11  ARG  14          1HH1      ARG  14   1.170  -0.434  -2.578
  130   HH12  ARG  14          2HH1      ARG  14   2.550   0.090  -3.481
  131   HH21  ARG  14          1HH2      ARG  14   3.997  -3.084  -3.679
  132   HH22  ARG  14          2HH2      ARG  14   4.155  -1.411  -4.099
  133    H    PHE  15           H        PHE  15  -3.586  -3.190  -2.053
  134    HA   PHE  15           HA       PHE  15  -2.886  -5.633  -0.580
  135    HB2  PHE  15           2HB      PHE  15  -2.812  -4.487   1.485
  136    HB3  PHE  15           1HB      PHE  15  -1.828  -3.594   0.347
  137    HD1  PHE  15           2HD      PHE  15  -5.505  -3.454   1.061
  138    HD2  PHE  15           1HD      PHE  15  -1.751  -1.474   0.976
  139    HE1  PHE  15           2HE      PHE  15  -6.573  -1.417   1.738
  140    HE2  PHE  15           1HE      PHE  15  -2.801   0.566   1.671
  141    HZ   PHE  15           HZ       PHE  15  -5.232   0.633   2.111
  142    H    GLN  16           H        GLN  16  -5.468  -3.386  -1.283
  143    HA   GLN  16           HA       GLN  16  -7.532  -4.193   0.263
  144    HB2  GLN  16           2HB      GLN  16  -7.294  -3.426  -2.584
  145    HB3  GLN  16           1HB      GLN  16  -8.809  -4.171  -2.104
  146    HG2  GLN  16           2HG      GLN  16  -7.855  -2.072  -0.316
  147    HG3  GLN  16           1HG      GLN  16  -8.244  -1.537  -1.950
  148   HE21  GLN  16          1HE2      GLN  16  -9.596  -0.910   0.538
  149   HE22  GLN  16          2HE2      GLN  16 -11.228  -1.446   0.359
  150    H    ARG  17           H        ARG  17  -5.894  -6.027  -2.124
  151    HA   ARG  17           HA       ARG  17  -7.513  -8.088  -2.814
  152    HB2  ARG  17           2HB      ARG  17  -5.195  -9.406  -2.501
  153    HB3  ARG  17           1HB      ARG  17  -5.502  -8.307  -3.837
  154    HG2  ARG  17           2HG      ARG  17  -4.207  -6.593  -2.882
  155    HG3  ARG  17           1HG      ARG  17  -4.240  -7.339  -1.285
  156    HD2  ARG  17           2HD      ARG  17  -2.107  -7.809  -2.047
  157    HD3  ARG  17           1HD      ARG  17  -3.000  -9.288  -2.401
  158    HE   ARG  17           HE       ARG  17  -3.173  -7.732  -4.671
  159   HH11  ARG  17          1HH1      ARG  17  -0.622  -9.185  -2.783
  160   HH12  ARG  17          2HH1      ARG  17   0.437  -9.386  -4.138
  161   HH21  ARG  17          1HH2      ARG  17  -1.783  -7.996  -6.455
  162   HH22  ARG  17          2HH2      ARG  17  -0.221  -8.709  -6.224
  163    H    SER  18           H        SER  18  -5.375  -8.009  -0.034
  164    HA   SER  18           HA       SER  18  -6.910 -10.198   1.195
  165    HB2  SER  18           2HB      SER  18  -4.106  -9.233   1.734
  166    HB3  SER  18           1HB      SER  18  -4.919 -10.510   2.638
  167    HG   SER  18           HG       SER  18  -5.133 -11.620   0.592
  168    H    SER  19           H        SER  19  -7.149  -7.086   1.195
  169    HA   SER  19           HA       SER  19  -6.730  -6.056   3.722
  170    HB2  SER  19           2HB      SER  19  -8.481  -5.416   1.462
  171    HB3  SER  19           1HB      SER  19  -9.118  -4.886   3.017
  172    HG   SER  19           HG       SER  19  -7.778  -3.297   2.099
  173    H    ALA  20           H        ALA  20  -8.790  -8.610   2.899
  174    HA   ALA  20           HA       ALA  20 -10.975  -8.386   4.545
  175    HB1  ALA  20           1HB      ALA  20 -11.118 -10.270   3.290
  176    HB2  ALA  20           2HB      ALA  20 -10.544 -10.998   4.791
  177    HB3  ALA  20           3HB      ALA  20  -9.408 -10.657   3.486
  178    H    LYS  21           H        LYS  21  -7.715  -9.144   5.387
  179    HA   LYS  21           HA       LYS  21  -7.142 -10.257   7.508
  180    HB2  LYS  21           2HB      LYS  21  -6.695  -7.435   6.927
  181    HB3  LYS  21           1HB      LYS  21  -6.517  -7.855   8.623
  182    HG2  LYS  21           2HG      LYS  21  -4.374  -8.104   7.779
  183    HG3  LYS  21           1HG      LYS  21  -5.006  -9.752   7.785
  184    HD2  LYS  21           2HD      LYS  21  -5.434  -9.671   5.436
  185    HD3  LYS  21           1HD      LYS  21  -5.080  -7.943   5.377
  186    HE2  LYS  21           2HE      LYS  21  -2.837  -8.262   5.400
  187    HE3  LYS  21           1HE      LYS  21  -2.943  -9.682   6.438
  188    HZ1  LYS  21           3HZ      LYS  21  -3.228  -9.503   3.512
  189    HZ2  LYS  21           1HZ      LYS  21  -3.951 -10.781   4.355
  190    HZ3  LYS  21           2HZ      LYS  21  -2.275 -10.559   4.429
  191    H    LYS  22           H        LYS  22  -9.278 -10.844   8.005
  192    HA   LYS  22           HA       LYS  22 -10.736  -9.264   9.963
  193    HB2  LYS  22           2HB      LYS  22 -12.286 -11.255   9.980
  194    HB3  LYS  22           1HB      LYS  22 -12.114 -10.443   8.430
  195    HG2  LYS  22           2HG      LYS  22 -10.908 -12.181   7.502
  196    HG3  LYS  22           1HG      LYS  22 -10.405 -12.804   9.074
  197    HD2  LYS  22           2HD      LYS  22 -12.042 -14.308   8.846
  198    HD3  LYS  22           1HD      LYS  22 -13.159 -12.979   9.168
  199    HE2  LYS  22           2HE      LYS  22 -14.044 -13.583   7.186
  200    HE3  LYS  22           1HE      LYS  22 -12.722 -12.620   6.529
  201    HZ1  LYS  22           3HZ      LYS  22 -11.465 -14.894   6.726
  202    HZ2  LYS  22           1HZ      LYS  22 -12.437 -14.550   5.385
  203    HZ3  LYS  22           2HZ      LYS  22 -13.029 -15.530   6.630
  204    H    LYS  23           H        LYS  23  -7.994 -10.818  10.311
  205    HA   LYS  23           HA       LYS  23  -8.642 -11.704  13.022
  206    HB2  LYS  23           2HB      LYS  23  -7.170 -13.655  12.787
  207    HB3  LYS  23           1HB      LYS  23  -8.516 -13.732  11.658
  208    HG2  LYS  23           2HG      LYS  23  -6.070 -12.470  10.622
  209    HG3  LYS  23           1HG      LYS  23  -5.947 -14.191  10.991
  210    HD2  LYS  23           2HD      LYS  23  -8.397 -13.495   9.570
  211    HD3  LYS  23           1HD      LYS  23  -6.936 -13.104   8.663
  212    HE2  LYS  23           2HE      LYS  23  -6.261 -15.544   9.498
  213    HE3  LYS  23           1HE      LYS  23  -8.014 -15.736   9.501
  214    HZ1  LYS  23           3HZ      LYS  23  -6.495 -16.132   7.356
  215    HZ2  LYS  23           1HZ      LYS  23  -6.880 -14.500   7.131
  216    HZ3  LYS  23           2HZ      LYS  23  -8.113 -15.649   7.269
  217    H    ARG  24           H        ARG  24  -7.737  -9.312  12.795
  218    HA   ARG  24           HA       ARG  24  -4.873  -9.489  13.452
  219    HB2  ARG  24           2HB      ARG  24  -4.628  -7.185  12.482
  220    HB3  ARG  24           1HB      ARG  24  -4.948  -8.450  11.304
  221    HG2  ARG  24           2HG      ARG  24  -6.658  -7.279  10.540
  222    HG3  ARG  24           1HG      ARG  24  -7.451  -7.435  12.109
  223    HD2  ARG  24           2HD      ARG  24  -7.282  -5.101  11.480
  224    HD3  ARG  24           1HD      ARG  24  -6.277  -5.426  12.888
  225    HE   ARG  24           HE       ARG  24  -5.338  -4.877  10.165
  226   HH11  ARG  24          1HH1      ARG  24  -4.604  -5.428  13.541
  227   HH12  ARG  24          2HH1      ARG  24  -2.979  -4.853  13.403
  228   HH21  ARG  24          1HH2      ARG  24  -3.201  -4.126   9.995
  229   HH22  ARG  24          2HH2      ARG  24  -2.182  -4.116  11.395
  Start of MODEL    4
    1    H2   PRO   1           1HT      PRO   1  -1.704  16.686  -5.400
    2    H3   PRO   1           2HT      PRO   1  -0.510  15.569  -5.575
    3    HA   PRO   1           HA       PRO   1  -1.789  14.029  -5.153
    4    HB2  PRO   1           2HB      PRO   1  -3.048  14.373  -2.746
    5    HB3  PRO   1           1HB      PRO   1  -1.389  13.789  -2.920
    6    HG2  PRO   1           2HG      PRO   1  -2.375  16.560  -2.379
    7    HG3  PRO   1           1HG      PRO   1  -1.046  15.675  -1.604
    8    HD2  PRO   1           2HD      PRO   1  -0.554  17.511  -3.486
    9    HD3  PRO   1           1HD      PRO   1   0.397  16.016  -3.402
   10    H    LEU   2           H        LEU   2  -4.343  14.030  -3.729
   11    HA   LEU   2           HA       LEU   2  -5.924  15.698  -5.561
   12    HB2  LEU   2           2HB      LEU   2  -7.054  13.174  -4.434
   13    HB3  LEU   2           1HB      LEU   2  -7.382  13.953  -5.967
   14    HG   LEU   2           HG       LEU   2  -5.015  13.207  -6.630
   15   HD11  LEU   2          1HD1      LEU   2  -3.912  12.446  -4.794
   16   HD12  LEU   2          2HD1      LEU   2  -4.648  10.928  -5.305
   17   HD13  LEU   2          3HD1      LEU   2  -5.384  11.871  -4.010
   18   HD21  LEU   2          3HD2      LEU   2  -6.808  12.185  -7.721
   19   HD22  LEU   2          1HD2      LEU   2  -7.385  11.412  -6.245
   20   HD23  LEU   2          2HD2      LEU   2  -5.913  10.833  -7.027
   21    H    SER   3           H        SER   3  -7.907  14.017  -3.421
   22    HA   SER   3           HA       SER   3  -7.785  16.096  -1.372
   23    HB2  SER   3           2HB      SER   3  -9.705  16.214  -3.279
   24    HB3  SER   3           1HB      SER   3 -10.495  15.143  -2.122
   25    HG   SER   3           HG       SER   3  -9.901  16.814  -0.521
   26    H    ARG   4           H        ARG   4  -7.971  12.884  -2.317
   27    HA   ARG   4           HA       ARG   4  -8.805  11.986   0.352
   28    HB2  ARG   4           2HB      ARG   4  -9.719  10.079  -0.639
   29    HB3  ARG   4           1HB      ARG   4 -10.135  11.362  -1.765
   30    HG2  ARG   4           2HG      ARG   4  -7.796  10.561  -2.826
   31    HG3  ARG   4           1HG      ARG   4  -8.339   9.041  -2.116
   32    HD2  ARG   4           2HD      ARG   4 -10.299  10.653  -3.665
   33    HD3  ARG   4           1HD      ARG   4  -9.040   9.801  -4.559
   34    HE   ARG   4           HE       ARG   4 -10.017   7.881  -2.942
   35   HH11  ARG   4          1HH1      ARG   4 -11.559  10.141  -5.110
   36   HH12  ARG   4          2HH1      ARG   4 -12.888   9.089  -5.462
   37   HH21  ARG   4          1HH2      ARG   4 -11.764   6.497  -3.404
   38   HH22  ARG   4          2HH2      ARG   4 -13.005   7.020  -4.494
   39    H    GLY   5           H        GLY   5  -6.530  11.714  -2.233
   40    HA2  GLY   5           2HA      GLY   5  -4.263  11.166  -2.097
   41    HA3  GLY   5           1HA      GLY   5  -4.527  10.588  -0.453
   42    H    LYS   6           H        LYS   6  -6.276   9.771  -3.419
   43    HA   LYS   6           HA       LYS   6  -6.448   7.055  -2.838
   44    HB2  LYS   6           2HB      LYS   6  -6.892   6.767  -5.288
   45    HB3  LYS   6           1HB      LYS   6  -7.964   7.825  -4.382
   46    HG2  LYS   6           2HG      LYS   6  -7.557   9.486  -5.794
   47    HG3  LYS   6           1HG      LYS   6  -5.834   9.390  -5.432
   48    HD2  LYS   6           2HD      LYS   6  -6.759   7.268  -7.210
   49    HD3  LYS   6           1HD      LYS   6  -6.998   8.886  -7.872
   50    HE2  LYS   6           2HE      LYS   6  -4.592   9.354  -7.286
   51    HE3  LYS   6           1HE      LYS   6  -4.425   7.636  -6.931
   52    HZ1  LYS   6           3HZ      LYS   6  -5.593   8.275  -9.508
   53    HZ2  LYS   6           1HZ      LYS   6  -4.447   7.100  -9.099
   54    HZ3  LYS   6           2HZ      LYS   6  -3.968   8.706  -9.326
   55    H    LYS   7           H        LYS   7  -3.749   8.785  -3.863
   56    HA   LYS   7           HA       LYS   7  -2.359   6.952  -5.421
   57    HB2  LYS   7           2HB      LYS   7  -0.589   8.318  -5.048
   58    HB3  LYS   7           1HB      LYS   7  -1.804   9.362  -4.336
   59    HG2  LYS   7           2HG      LYS   7  -0.255   7.388  -2.700
   60    HG3  LYS   7           1HG      LYS   7   0.348   9.006  -3.044
   61    HD2  LYS   7           2HD      LYS   7  -2.229   8.321  -1.641
   62    HD3  LYS   7           1HD      LYS   7  -0.769   8.962  -0.891
   63    HE2  LYS   7           2HE      LYS   7  -1.073  10.882  -2.634
   64    HE3  LYS   7           1HE      LYS   7  -2.740  10.312  -2.678
   65    HZ1  LYS   7           3HZ      LYS   7  -2.778  11.915  -1.036
   66    HZ2  LYS   7           1HZ      LYS   7  -1.251  11.507  -0.434
   67    HZ3  LYS   7           2HZ      LYS   7  -2.575  10.502  -0.129
   68    H    TRP   8           H        TRP   8  -3.419   6.930  -2.261
   69    HA   TRP   8           HA       TRP   8  -1.685   4.924  -1.162
   70    HB2  TRP   8           2HB      TRP   8  -2.846   5.136   0.821
   71    HB3  TRP   8           1HB      TRP   8  -3.179   6.706   0.101
   72    HD1  TRP   8           HD       TRP   8  -5.575   6.523  -1.506
   73    HE1  TRP   8           1HE      TRP   8  -7.865   5.724  -0.712
   74    HE3  TRP   8           3HE      TRP   8  -4.043   3.620   2.368
   75    HZ2  TRP   8           2HZ      TRP   8  -8.892   4.067   1.343
   76    HZ3  TRP   8           3HZ      TRP   8  -5.733   2.467   3.718
   77    HH2  TRP   8           HH       TRP   8  -8.103   2.667   3.199
   78    H    THR   9           H        THR   9  -4.866   5.107  -2.550
   79    HA   THR   9           HA       THR   9  -5.799   2.556  -2.123
   80    HB   THR   9           HB       THR   9  -6.545   4.765  -3.712
   81    HG1  THR   9           1HG      THR   9  -8.528   3.756  -3.650
   82   HG21  THR   9          3HG2      THR   9  -7.367   3.723  -5.742
   83   HG22  THR   9          1HG2      THR   9  -6.552   2.220  -5.307
   84   HG23  THR   9          2HG2      THR   9  -5.606   3.665  -5.661
   85    H    GLU  10           H        GLU  10  -3.407   3.810  -4.184
   86    HA   GLU  10           HA       GLU  10  -3.008   1.778  -6.021
   87    HB2  GLU  10           2HB      GLU  10  -1.227   3.102  -6.531
   88    HB3  GLU  10           1HB      GLU  10  -1.805   4.150  -5.253
   89    HG2  GLU  10           2HG      GLU  10   0.420   3.886  -4.725
   90    HG3  GLU  10           1HG      GLU  10  -0.365   2.703  -3.691
   91    H    LYS  11           H        LYS  11  -2.103   2.090  -2.690
   92    HA   LYS  11           HA       LYS  11  -0.583  -0.320  -2.633
   93    HB2  LYS  11           2HB      LYS  11  -1.786   0.841  -0.198
   94    HB3  LYS  11           1HB      LYS  11  -0.217   0.086  -0.399
   95    HG2  LYS  11           2HG      LYS  11   0.747   2.010  -1.203
   96    HG3  LYS  11           1HG      LYS  11  -0.795   2.701  -1.700
   97    HD2  LYS  11           2HD      LYS  11   0.613   2.977   0.805
   98    HD3  LYS  11           1HD      LYS  11  -0.773   3.877   0.197
   99    HE2  LYS  11           2HE      LYS  11  -2.286   2.143   1.013
  100    HE3  LYS  11           1HE      LYS  11  -0.913   1.181   1.563
  101    HZ1  LYS  11           3HZ      LYS  11  -0.341   2.954   3.112
  102    HZ2  LYS  11           1HZ      LYS  11  -1.917   2.401   3.386
  103    HZ3  LYS  11           2HZ      LYS  11  -1.663   3.870   2.588
  104    H    LEU  12           H        LEU  12  -3.831   0.668  -1.943
  105    HA   LEU  12           HA       LEU  12  -4.445  -1.908  -0.853
  106    HB2  LEU  12           2HB      LEU  12  -6.798  -0.562  -1.631
  107    HB3  LEU  12           1HB      LEU  12  -6.268  -1.147  -0.084
  108    HG   LEU  12           HG       LEU  12  -6.480   1.545  -1.037
  109   HD11  LEU  12          1HD1      LEU  12  -6.899  -0.053   1.194
  110   HD12  LEU  12          2HD1      LEU  12  -7.274   1.649   0.988
  111   HD13  LEU  12          3HD1      LEU  12  -5.729   1.167   1.678
  112   HD21  LEU  12          3HD2      LEU  12  -3.796   0.592  -0.110
  113   HD22  LEU  12          1HD2      LEU  12  -4.358   2.203   0.302
  114   HD23  LEU  12          2HD2      LEU  12  -4.199   1.728  -1.380
  115    H    ALA  13           H        ALA  13  -4.466  -0.156  -3.730
  116    HA   ALA  13           HA       ALA  13  -5.930  -2.008  -5.328
  117    HB1  ALA  13           1HB      ALA  13  -4.913  -0.955  -7.219
  118    HB2  ALA  13           2HB      ALA  13  -3.569  -0.355  -6.247
  119    HB3  ALA  13           3HB      ALA  13  -5.180   0.334  -6.045
  120    H    ARG  14           H        ARG  14  -3.153  -2.001  -3.430
  121    HA   ARG  14           HA       ARG  14  -1.935  -4.266  -4.863
  122    HB2  ARG  14           2HB      ARG  14   0.066  -3.638  -4.009
  123    HB3  ARG  14           1HB      ARG  14  -0.729  -2.098  -3.705
  124    HG2  ARG  14           2HG      ARG  14  -1.422  -3.230  -1.436
  125    HG3  ARG  14           1HG      ARG  14  -0.058  -4.285  -1.778
  126    HD2  ARG  14           2HD      ARG  14   0.147  -1.314  -1.841
  127    HD3  ARG  14           1HD      ARG  14   0.358  -2.237  -0.367
  128    HE   ARG  14           HE       ARG  14   2.345  -3.144  -1.247
  129   HH11  ARG  14          1HH1      ARG  14   0.885  -0.857  -3.482
  130   HH12  ARG  14          2HH1      ARG  14   2.346  -0.629  -4.378
  131   HH21  ARG  14          1HH2      ARG  14   4.241  -2.843  -2.452
  132   HH22  ARG  14          2HH2      ARG  14   4.240  -1.761  -3.805
  133    H    PHE  15           H        PHE  15  -3.663  -3.319  -1.950
  134    HA   PHE  15           HA       PHE  15  -3.386  -6.118  -1.079
  135    HB2  PHE  15           2HB      PHE  15  -3.618  -5.280   1.225
  136    HB3  PHE  15           1HB      PHE  15  -2.181  -4.717   0.393
  137    HD1  PHE  15           2HD      PHE  15  -5.628  -3.667   1.301
  138    HD2  PHE  15           1HD      PHE  15  -1.647  -2.526   0.363
  139    HE1  PHE  15           2HE      PHE  15  -6.104  -1.426   2.006
  140    HE2  PHE  15           1HE      PHE  15  -2.107  -0.292   1.071
  141    HZ   PHE  15           HZ       PHE  15  -4.338   0.311   1.932
  142    H    GLN  16           H        GLN  16  -5.582  -3.360  -1.015
  143    HA   GLN  16           HA       GLN  16  -7.822  -4.580   0.030
  144    HB2  GLN  16           2HB      GLN  16  -7.327  -2.402  -1.911
  145    HB3  GLN  16           1HB      GLN  16  -8.971  -3.016  -1.784
  146    HG2  GLN  16           2HG      GLN  16  -7.456  -2.325   0.671
  147    HG3  GLN  16           1HG      GLN  16  -8.169  -1.042  -0.305
  148   HE21  GLN  16          1HE2      GLN  16 -10.154  -0.464   0.230
  149   HE22  GLN  16          2HE2      GLN  16 -11.312  -1.441   1.061
  150    H    ARG  17           H        ARG  17  -6.233  -5.210  -2.913
  151    HA   ARG  17           HA       ARG  17  -8.039  -6.121  -4.699
  152    HB2  ARG  17           2HB      ARG  17  -6.190  -8.081  -4.907
  153    HB3  ARG  17           1HB      ARG  17  -5.965  -6.460  -5.545
  154    HG2  ARG  17           2HG      ARG  17  -4.390  -5.924  -4.003
  155    HG3  ARG  17           1HG      ARG  17  -5.156  -6.879  -2.734
  156    HD2  ARG  17           2HD      ARG  17  -3.040  -7.868  -3.322
  157    HD3  ARG  17           1HD      ARG  17  -4.351  -8.932  -3.824
  158    HE   ARG  17           HE       ARG  17  -3.646  -7.265  -5.971
  159   HH11  ARG  17          1HH1      ARG  17  -2.379  -9.943  -4.128
  160   HH12  ARG  17          2HH1      ARG  17  -1.431 -10.559  -5.438
  161   HH21  ARG  17          1HH2      ARG  17  -2.398  -8.074  -7.698
  162   HH22  ARG  17          2HH2      ARG  17  -1.440  -9.498  -7.465
  163    H    SER  18           H        SER  18  -6.689  -7.961  -2.047
  164    HA   SER  18           HA       SER  18  -8.999  -9.790  -2.186
  165    HB2  SER  18           2HB      SER  18  -6.382 -10.601  -0.982
  166    HB3  SER  18           1HB      SER  18  -7.671 -11.614  -1.630
  167    HG   SER  18           HG       SER  18  -6.995 -11.215  -3.652
  168    H    SER  19           H        SER  19  -7.536  -7.405  -0.407
  169    HA   SER  19           HA       SER  19  -7.757  -8.321   2.243
  170    HB2  SER  19           2HB      SER  19  -6.943  -5.996   1.033
  171    HB3  SER  19           1HB      SER  19  -8.420  -5.492   1.850
  172    HG   SER  19           HG       SER  19  -6.227  -6.836   3.057
  173    H    ALA  20           H        ALA  20 -10.148  -7.989  -0.013
  174    HA   ALA  20           HA       ALA  20 -12.318  -6.774   1.056
  175    HB1  ALA  20           1HB      ALA  20 -11.952  -8.417  -1.038
  176    HB2  ALA  20           2HB      ALA  20 -13.539  -7.905  -0.466
  177    HB3  ALA  20           3HB      ALA  20 -12.889  -9.470   0.022
  178    H    LYS  21           H        LYS  21 -10.906  -9.758   2.090
  179    HA   LYS  21           HA       LYS  21 -12.706  -9.791   4.397
  180    HB2  LYS  21           2HB      LYS  21 -11.573 -12.253   3.099
  181    HB3  LYS  21           1HB      LYS  21 -12.740 -12.173   4.411
  182    HG2  LYS  21           2HG      LYS  21 -14.303 -12.431   2.847
  183    HG3  LYS  21           1HG      LYS  21 -13.972 -10.756   2.402
  184    HD2  LYS  21           2HD      LYS  21 -12.629 -11.365   0.607
  185    HD3  LYS  21           1HD      LYS  21 -12.326 -12.978   1.257
  186    HE2  LYS  21           2HE      LYS  21 -15.009 -13.064   0.951
  187    HE3  LYS  21           1HE      LYS  21 -14.571 -11.975  -0.365
  188    HZ1  LYS  21           3HZ      LYS  21 -13.974 -14.807  -0.020
  189    HZ2  LYS  21           1HZ      LYS  21 -12.772 -13.862  -0.742
  190    HZ3  LYS  21           2HZ      LYS  21 -14.315 -13.938  -1.430
  191    H    LYS  22           H        LYS  22 -10.856  -8.453   4.957
  192    HA   LYS  22           HA       LYS  22  -8.724 -10.058   6.184
  193    HB2  LYS  22           2HB      LYS  22  -8.289  -8.238   4.223
  194    HB3  LYS  22           1HB      LYS  22  -8.119  -7.224   5.650
  195    HG2  LYS  22           2HG      LYS  22  -6.617  -9.796   5.217
  196    HG3  LYS  22           1HG      LYS  22  -5.990  -8.196   4.817
  197    HD2  LYS  22           2HD      LYS  22  -5.308  -7.933   6.916
  198    HD3  LYS  22           1HD      LYS  22  -6.971  -8.111   7.482
  199    HE2  LYS  22           2HE      LYS  22  -5.152 -10.436   6.882
  200    HE3  LYS  22           1HE      LYS  22  -5.317  -9.716   8.482
  201    HZ1  LYS  22           3HZ      LYS  22  -7.298 -11.245   6.928
  202    HZ2  LYS  22           1HZ      LYS  22  -7.815 -10.148   8.109
  203    HZ3  LYS  22           2HZ      LYS  22  -6.819 -11.445   8.538
  204    H    LYS  23           H        LYS  23  -9.918  -6.750   6.410
  205    HA   LYS  23           HA       LYS  23 -10.445  -7.148   9.260
  206    HB2  LYS  23           2HB      LYS  23  -9.399  -4.997   9.806
  207    HB3  LYS  23           1HB      LYS  23  -8.231  -6.115   9.115
  208    HG2  LYS  23           2HG      LYS  23  -9.590  -4.283   7.235
  209    HG3  LYS  23           1HG      LYS  23  -8.432  -3.568   8.358
  210    HD2  LYS  23           2HD      LYS  23  -6.676  -4.459   7.287
  211    HD3  LYS  23           1HD      LYS  23  -7.469  -6.025   7.107
  212    HE2  LYS  23           2HE      LYS  23  -6.918  -4.787   4.966
  213    HE3  LYS  23           1HE      LYS  23  -8.580  -5.352   5.141
  214    HZ1  LYS  23           3HZ      LYS  23  -7.783  -2.604   5.891
  215    HZ2  LYS  23           1HZ      LYS  23  -9.335  -3.200   5.577
  216    HZ3  LYS  23           2HZ      LYS  23  -8.235  -2.997   4.309
  217    H    ARG  24           H        ARG  24 -12.479  -7.288   7.700
  218    HA   ARG  24           HA       ARG  24 -13.672  -4.953   6.729
  219    HB2  ARG  24           2HB      ARG  24 -14.370  -7.671   6.964
  220    HB3  ARG  24           1HB      ARG  24 -15.659  -6.774   7.754
  221    HG2  ARG  24           2HG      ARG  24 -15.952  -5.424   5.735
  222    HG3  ARG  24           1HG      ARG  24 -14.668  -6.340   4.944
  223    HD2  ARG  24           2HD      ARG  24 -16.307  -8.332   5.826
  224    HD3  ARG  24           1HD      ARG  24 -17.467  -7.058   5.450
  225    HE   ARG  24           HE       ARG  24 -15.891  -7.114   3.256
  226   HH11  ARG  24          1HH1      ARG  24 -17.623  -9.589   5.003
  227   HH12  ARG  24          2HH1      ARG  24 -17.885 -10.571   3.602
  228   HH21  ARG  24          1HH2      ARG  24 -16.235  -8.405   1.411
  229   HH22  ARG  24          2HH2      ARG  24 -17.096  -9.900   1.562
  Start of MODEL    5
    1    H2   PRO   1           1HT      PRO   1  -9.542  15.441  -6.710
    2    H3   PRO   1           2HT      PRO   1 -11.050  15.048  -7.242
    3    HA   PRO   1           HA       PRO   1 -10.440  13.360  -8.294
    4    HB2  PRO   1           2HB      PRO   1  -7.818  13.806  -9.264
    5    HB3  PRO   1           1HB      PRO   1  -9.325  13.817 -10.190
    6    HG2  PRO   1           2HG      PRO   1  -7.814  16.086  -9.006
    7    HG3  PRO   1           1HG      PRO   1  -8.795  16.033 -10.482
    8    HD2  PRO   1           2HD      PRO   1  -9.708  17.250  -8.295
    9    HD3  PRO   1           1HD      PRO   1 -10.798  16.281  -9.306
   10    H    LEU   2           H        LEU   2  -7.184  14.497  -7.452
   11    HA   LEU   2           HA       LEU   2  -6.883  12.155  -5.736
   12    HB2  LEU   2           2HB      LEU   2  -4.692  12.170  -6.175
   13    HB3  LEU   2           1HB      LEU   2  -5.246  13.018  -7.600
   14    HG   LEU   2           HG       LEU   2  -3.464  14.330  -7.025
   15   HD11  LEU   2          1HD1      LEU   2  -4.358  16.333  -6.621
   16   HD12  LEU   2          2HD1      LEU   2  -4.987  15.839  -5.049
   17   HD13  LEU   2          3HD1      LEU   2  -5.894  15.476  -6.514
   18   HD21  LEU   2          3HD2      LEU   2  -2.330  13.934  -5.165
   19   HD22  LEU   2          1HD2      LEU   2  -3.674  12.962  -4.567
   20   HD23  LEU   2          2HD2      LEU   2  -3.600  14.684  -4.198
   21    H    SER   3           H        SER   3  -8.296  14.718  -5.047
   22    HA   SER   3           HA       SER   3  -6.748  15.882  -2.912
   23    HB2  SER   3           2HB      SER   3  -9.349  16.362  -4.170
   24    HB3  SER   3           1HB      SER   3  -9.409  16.518  -2.415
   25    HG   SER   3           HG       SER   3  -7.447  17.788  -4.014
   26    H    ARG   4           H        ARG   4  -7.589  12.987  -3.285
   27    HA   ARG   4           HA       ARG   4  -8.796  12.452  -0.684
   28    HB2  ARG   4           2HB      ARG   4  -9.838  10.677  -1.694
   29    HB3  ARG   4           1HB      ARG   4  -9.664  11.742  -3.080
   30    HG2  ARG   4           2HG      ARG   4  -7.375  10.431  -3.346
   31    HG3  ARG   4           1HG      ARG   4  -8.269   9.182  -2.481
   32    HD2  ARG   4           2HD      ARG   4  -9.746  10.492  -4.653
   33    HD3  ARG   4           1HD      ARG   4  -8.329   9.583  -5.169
   34    HE   ARG   4           HE       ARG   4  -9.386   7.622  -4.567
   35   HH11  ARG   4          1HH1      ARG   4 -11.237  10.350  -3.412
   36   HH12  ARG   4          2HH1      ARG   4 -12.625   9.395  -3.014
   37   HH21  ARG   4          1HH2      ARG   4 -11.213   6.371  -4.046
   38   HH22  ARG   4          2HH2      ARG   4 -12.613   7.139  -3.374
   39    H    GLY   5           H        GLY   5  -6.153  11.800  -2.836
   40    HA2  GLY   5           2HA      GLY   5  -3.980  11.140  -2.233
   41    HA3  GLY   5           1HA      GLY   5  -4.580  10.702  -0.635
   42    H    LYS   6           H        LYS   6  -5.783   9.773  -3.831
   43    HA   LYS   6           HA       LYS   6  -6.186   7.097  -3.108
   44    HB2  LYS   6           2HB      LYS   6  -6.304   6.685  -5.573
   45    HB3  LYS   6           1HB      LYS   6  -7.443   7.835  -4.894
   46    HG2  LYS   6           2HG      LYS   6  -6.627   9.547  -6.101
   47    HG3  LYS   6           1HG      LYS   6  -4.955   9.033  -5.871
   48    HD2  LYS   6           2HD      LYS   6  -5.545   8.903  -8.218
   49    HD3  LYS   6           1HD      LYS   6  -5.287   7.280  -7.572
   50    HE2  LYS   6           2HE      LYS   6  -7.228   7.022  -8.804
   51    HE3  LYS   6           1HE      LYS   6  -7.847   7.299  -7.176
   52    HZ1  LYS   6           3HZ      LYS   6  -7.797   9.163  -9.467
   53    HZ2  LYS   6           1HZ      LYS   6  -7.956   9.732  -7.881
   54    HZ3  LYS   6           2HZ      LYS   6  -9.116   8.682  -8.523
   55    H    LYS   7           H        LYS   7  -3.345   8.732  -3.804
   56    HA   LYS   7           HA       LYS   7  -1.767   6.841  -5.080
   57    HB2  LYS   7           2HB      LYS   7  -0.015   8.154  -4.442
   58    HB3  LYS   7           1HB      LYS   7  -1.314   9.268  -4.055
   59    HG2  LYS   7           2HG      LYS   7  -0.139   7.402  -2.023
   60    HG3  LYS   7           1HG      LYS   7   0.515   9.007  -2.341
   61    HD2  LYS   7           2HD      LYS   7  -2.341   8.467  -1.566
   62    HD3  LYS   7           1HD      LYS   7  -1.075   8.919  -0.427
   63    HE2  LYS   7           2HE      LYS   7  -2.115  10.542  -2.742
   64    HE3  LYS   7           1HE      LYS   7  -2.317  10.885  -1.025
   65    HZ1  LYS   7           3HZ      LYS   7  -0.544  12.196  -1.378
   66    HZ2  LYS   7           1HZ      LYS   7  -0.032  11.349  -2.751
   67    HZ3  LYS   7           2HZ      LYS   7   0.338  10.762  -1.208
   68    H    TRP   8           H        TRP   8  -3.274   6.901  -2.111
   69    HA   TRP   8           HA       TRP   8  -1.743   4.894  -0.739
   70    HB2  TRP   8           2HB      TRP   8  -3.166   5.161   1.056
   71    HB3  TRP   8           1HB      TRP   8  -3.382   6.720   0.268
   72    HD1  TRP   8           HD       TRP   8  -5.528   6.551  -1.642
   73    HE1  TRP   8           1HE      TRP   8  -7.910   5.754  -1.184
   74    HE3  TRP   8           3HE      TRP   8  -4.572   3.633   2.403
   75    HZ2  TRP   8           2HZ      TRP   8  -9.223   4.098   0.703
   76    HZ3  TRP   8           3HZ      TRP   8  -6.437   2.485   3.499
   77    HH2  TRP   8           HH       TRP   8  -8.707   2.690   2.649
   78    H    THR   9           H        THR   9  -4.702   5.120  -2.545
   79    HA   THR   9           HA       THR   9  -5.739   2.589  -2.249
   80    HB   THR   9           HB       THR   9  -6.267   4.816  -3.872
   81    HG1  THR   9           1HG      THR   9  -7.546   2.330  -3.494
   82   HG21  THR   9          3HG2      THR   9  -6.017   2.341  -5.557
   83   HG22  THR   9          1HG2      THR   9  -5.050   3.808  -5.716
   84   HG23  THR   9          2HG2      THR   9  -6.784   3.854  -6.041
   85    H    GLU  10           H        GLU  10  -3.073   3.787  -3.979
   86    HA   GLU  10           HA       GLU  10  -2.480   1.760  -5.766
   87    HB2  GLU  10           2HB      GLU  10  -0.711   3.144  -6.034
   88    HB3  GLU  10           1HB      GLU  10  -1.308   4.070  -4.676
   89    HG2  GLU  10           2HG      GLU  10   0.862   3.657  -4.056
   90    HG3  GLU  10           1HG      GLU  10  -0.004   2.370  -3.230
   91    H    LYS  11           H        LYS  11  -2.019   2.055  -2.341
   92    HA   LYS  11           HA       LYS  11  -0.551  -0.343  -1.968
   93    HB2  LYS  11           2HB      LYS  11  -2.167   1.204   0.000
   94    HB3  LYS  11           1HB      LYS  11  -0.859   0.081   0.355
   95    HG2  LYS  11           2HG      LYS  11   0.760   1.528  -0.479
   96    HG3  LYS  11           1HG      LYS  11  -0.439   2.522  -1.306
   97    HD2  LYS  11           2HD      LYS  11   0.657   2.946   1.245
   98    HD3  LYS  11           1HD      LYS  11  -0.667   3.828   0.485
   99    HE2  LYS  11           2HE      LYS  11  -2.295   2.379   1.463
  100    HE3  LYS  11           1HE      LYS  11  -1.049   1.265   2.027
  101    HZ1  LYS  11           3HZ      LYS  11  -1.785   3.913   3.089
  102    HZ2  LYS  11           1HZ      LYS  11  -0.216   3.326   3.325
  103    HZ3  LYS  11           2HZ      LYS  11  -1.541   2.460   3.918
  104    H    LEU  12           H        LEU  12  -3.878   0.552  -2.026
  105    HA   LEU  12           HA       LEU  12  -4.601  -2.049  -0.976
  106    HB2  LEU  12           2HB      LEU  12  -6.931  -0.734  -1.704
  107    HB3  LEU  12           1HB      LEU  12  -6.342  -1.188  -0.136
  108    HG   LEU  12           HG       LEU  12  -6.536   1.438  -1.361
  109   HD11  LEU  12          1HD1      LEU  12  -7.157  -0.005   0.978
  110   HD12  LEU  12          2HD1      LEU  12  -7.639   1.622   0.513
  111   HD13  LEU  12          3HD1      LEU  12  -6.150   1.367   1.416
  112   HD21  LEU  12          3HD2      LEU  12  -4.572   2.101   0.270
  113   HD22  LEU  12          1HD2      LEU  12  -4.252   1.658  -1.398
  114   HD23  LEU  12          2HD2      LEU  12  -4.000   0.490  -0.119
  115    H    ALA  13           H        ALA  13  -4.390  -0.152  -3.754
  116    HA   ALA  13           HA       ALA  13  -5.888  -1.834  -5.488
  117    HB1  ALA  13           1HB      ALA  13  -3.531  -0.002  -5.993
  118    HB2  ALA  13           2HB      ALA  13  -5.230   0.330  -6.332
  119    HB3  ALA  13           3HB      ALA  13  -4.364  -0.887  -7.271
  120    H    ARG  14           H        ARG  14  -3.093  -2.049  -3.545
  121    HA   ARG  14           HA       ARG  14  -2.212  -4.468  -5.024
  122    HB2  ARG  14           2HB      ARG  14  -0.043  -4.122  -3.978
  123    HB3  ARG  14           1HB      ARG  14  -0.530  -2.673  -4.858
  124    HG2  ARG  14           2HG      ARG  14  -0.393  -1.468  -3.010
  125    HG3  ARG  14           1HG      ARG  14  -1.548  -2.527  -2.223
  126    HD2  ARG  14           2HD      ARG  14   0.623  -2.291  -1.058
  127    HD3  ARG  14           1HD      ARG  14   0.112  -3.940  -1.417
  128    HE   ARG  14           HE       ARG  14   2.065  -4.173  -2.561
  129   HH11  ARG  14          1HH1      ARG  14   1.200  -0.782  -2.677
  130   HH12  ARG  14          2HH1      ARG  14   2.560  -0.346  -3.652
  131   HH21  ARG  14          1HH2      ARG  14   3.854  -3.586  -3.830
  132   HH22  ARG  14          2HH2      ARG  14   4.067  -1.932  -4.299
  133    H    PHE  15           H        PHE  15  -3.687  -3.299  -2.117
  134    HA   PHE  15           HA       PHE  15  -3.092  -5.911  -0.910
  135    HB2  PHE  15           2HB      PHE  15  -3.093  -4.961   1.288
  136    HB3  PHE  15           1HB      PHE  15  -1.949  -4.108   0.275
  137    HD1  PHE  15           2HD      PHE  15  -5.598  -3.696   1.038
  138    HD2  PHE  15           1HD      PHE  15  -1.718  -1.992   0.813
  139    HE1  PHE  15           2HE      PHE  15  -6.474  -1.591   1.813
  140    HE2  PHE  15           1HE      PHE  15  -2.575   0.108   1.594
  141    HZ   PHE  15           HZ       PHE  15  -4.973   0.346   2.145
  142    H    GLN  16           H        GLN  16  -5.522  -3.446  -1.358
  143    HA   GLN  16           HA       GLN  16  -7.620  -4.874  -0.066
  144    HB2  GLN  16           2HB      GLN  16  -7.395  -2.581  -1.947
  145    HB3  GLN  16           1HB      GLN  16  -8.969  -3.342  -1.744
  146    HG2  GLN  16           2HG      GLN  16  -7.424  -2.635   0.666
  147    HG3  GLN  16           1HG      GLN  16  -8.181  -1.334  -0.252
  148   HE21  GLN  16          1HE2      GLN  16  -8.767  -4.281   1.544
  149   HE22  GLN  16          2HE2      GLN  16 -10.432  -3.972   1.888
  150    H    ARG  17           H        ARG  17  -5.868  -6.117  -2.232
  151    HA   ARG  17           HA       ARG  17  -7.436  -6.757  -4.457
  152    HB2  ARG  17           2HB      ARG  17  -5.602  -8.862  -4.036
  153    HB3  ARG  17           1HB      ARG  17  -5.461  -7.519  -5.156
  154    HG2  ARG  17           2HG      ARG  17  -4.240  -6.215  -3.530
  155    HG3  ARG  17           1HG      ARG  17  -4.509  -7.437  -2.284
  156    HD2  ARG  17           2HD      ARG  17  -3.378  -8.830  -4.409
  157    HD3  ARG  17           1HD      ARG  17  -2.488  -7.309  -4.345
  158    HE   ARG  17           HE       ARG  17  -2.540  -8.128  -1.760
  159   HH11  ARG  17          1HH1      ARG  17  -1.544  -9.635  -4.747
  160   HH12  ARG  17          2HH1      ARG  17  -0.334 -10.618  -3.993
  161   HH21  ARG  17          1HH2      ARG  17  -0.949  -9.420  -0.767
  162   HH22  ARG  17          2HH2      ARG  17   0.004 -10.496  -1.732
  163    H    SER  18           H        SER  18  -6.426  -8.889  -1.839
  164    HA   SER  18           HA       SER  18  -8.922 -10.409  -2.217
  165    HB2  SER  18           2HB      SER  18  -6.470 -11.477  -0.858
  166    HB3  SER  18           1HB      SER  18  -7.822 -12.370  -1.552
  167    HG   SER  18           HG       SER  18  -7.075 -11.382  -3.618
  168    H    SER  19           H        SER  19  -7.570  -8.209  -0.177
  169    HA   SER  19           HA       SER  19  -7.972  -9.190   2.390
  170    HB2  SER  19           2HB      SER  19  -7.719  -6.564   1.131
  171    HB3  SER  19           1HB      SER  19  -8.720  -6.539   2.582
  172    HG   SER  19           HG       SER  19  -6.899  -7.776   3.551
  173    H    ALA  20           H        ALA  20 -10.267  -8.783  -0.026
  174    HA   ALA  20           HA       ALA  20 -12.519  -7.892   1.376
  175    HB1  ALA  20           1HB      ALA  20 -13.655  -8.289  -0.530
  176    HB2  ALA  20           2HB      ALA  20 -12.985  -9.910  -0.714
  177    HB3  ALA  20           3HB      ALA  20 -12.037  -8.503  -1.199
  178    H    LYS  21           H        LYS  21 -11.133 -11.077   1.039
  179    HA   LYS  21           HA       LYS  21 -12.957 -12.039   3.114
  180    HB2  LYS  21           2HB      LYS  21 -11.884 -13.762   0.903
  181    HB3  LYS  21           1HB      LYS  21 -13.107 -14.173   2.096
  182    HG2  LYS  21           2HG      LYS  21 -14.608 -13.654   0.539
  183    HG3  LYS  21           1HG      LYS  21 -14.175 -11.970   0.836
  184    HD2  LYS  21           2HD      LYS  21 -13.703 -11.932  -1.361
  185    HD3  LYS  21           1HD      LYS  21 -12.208 -12.736  -0.881
  186    HE2  LYS  21           2HE      LYS  21 -13.031 -14.855  -1.470
  187    HE3  LYS  21           1HE      LYS  21 -14.698 -14.283  -1.529
  188    HZ1  LYS  21           3HZ      LYS  21 -13.629 -12.747  -3.391
  189    HZ2  LYS  21           1HZ      LYS  21 -14.260 -14.280  -3.729
  190    HZ3  LYS  21           2HZ      LYS  21 -12.592 -14.077  -3.531
  191    H    LYS  22           H        LYS  22 -11.068 -11.148   4.196
  192    HA   LYS  22           HA       LYS  22  -9.013 -13.217   4.594
  193    HB2  LYS  22           2HB      LYS  22  -8.321 -10.936   3.535
  194    HB3  LYS  22           1HB      LYS  22  -8.471 -10.326   5.177
  195    HG2  LYS  22           2HG      LYS  22  -6.942 -12.728   5.233
  196    HG3  LYS  22           1HG      LYS  22  -6.285 -11.659   3.992
  197    HD2  LYS  22           2HD      LYS  22  -6.510  -9.836   5.846
  198    HD3  LYS  22           1HD      LYS  22  -6.534 -11.222   6.939
  199    HE2  LYS  22           2HE      LYS  22  -4.273 -10.465   6.750
  200    HE3  LYS  22           1HE      LYS  22  -4.412 -11.999   5.893
  201    HZ1  LYS  22           3HZ      LYS  22  -3.761  -9.385   4.881
  202    HZ2  LYS  22           1HZ      LYS  22  -4.934 -10.186   3.960
  203    HZ3  LYS  22           2HZ      LYS  22  -3.429 -10.909   4.229
  204    H    LYS  23           H        LYS  23 -11.677 -12.389   5.945
  205    HA   LYS  23           HA       LYS  23 -10.626 -12.583   8.669
  206    HB2  LYS  23           2HB      LYS  23 -12.467 -11.027   9.412
  207    HB3  LYS  23           1HB      LYS  23 -11.164 -10.267   8.508
  208    HG2  LYS  23           2HG      LYS  23 -13.091 -11.048   6.616
  209    HG3  LYS  23           1HG      LYS  23 -13.970 -10.308   7.956
  210    HD2  LYS  23           2HD      LYS  23 -11.566  -8.833   7.214
  211    HD3  LYS  23           1HD      LYS  23 -12.729  -8.967   5.893
  212    HE2  LYS  23           2HE      LYS  23 -14.098  -8.350   8.336
  213    HE3  LYS  23           1HE      LYS  23 -12.789  -7.197   8.080
  214    HZ1  LYS  23           3HZ      LYS  23 -15.132  -7.741   6.377
  215    HZ2  LYS  23           1HZ      LYS  23 -13.734  -7.060   5.711
  216    HZ3  LYS  23           2HZ      LYS  23 -14.556  -6.259   6.954
  217    H    ARG  24           H        ARG  24 -11.323 -14.795   7.561
  218    HA   ARG  24           HA       ARG  24 -14.072 -15.455   7.520
  219    HB2  ARG  24           2HB      ARG  24 -11.681 -16.738   6.871
  220    HB3  ARG  24           1HB      ARG  24 -12.352 -17.706   8.175
  221    HG2  ARG  24           2HG      ARG  24 -14.543 -17.331   6.616
  222    HG3  ARG  24           1HG      ARG  24 -13.256 -17.375   5.409
  223    HD2  ARG  24           2HD      ARG  24 -13.486 -19.601   5.533
  224    HD3  ARG  24           1HD      ARG  24 -12.574 -19.458   7.035
  225    HE   ARG  24           HE       ARG  24 -15.128 -19.087   7.835
  226   HH11  ARG  24          1HH1      ARG  24 -13.574 -21.557   5.919
  227   HH12  ARG  24          2HH1      ARG  24 -14.662 -22.807   6.423
  228   HH21  ARG  24          1HH2      ARG  24 -16.558 -20.731   8.499
  229   HH22  ARG  24          2HH2      ARG  24 -16.356 -22.339   7.887
  Start of MODEL    6
    1    H2   PRO   1           1HT      PRO   1  -2.288  15.171  -3.143
    2    H3   PRO   1           2HT      PRO   1  -0.842  15.926  -3.355
    3    HA   PRO   1           HA       PRO   1  -0.587  15.311  -5.332
    4    HB2  PRO   1           2HB      PRO   1  -1.926  12.817  -5.631
    5    HB3  PRO   1           1HB      PRO   1  -0.185  13.122  -5.627
    6    HG2  PRO   1           2HG      PRO   1  -1.956  12.256  -3.413
    7    HG3  PRO   1           1HG      PRO   1  -0.237  11.918  -3.680
    8    HD2  PRO   1           2HD      PRO   1  -1.011  13.636  -1.790
    9    HD3  PRO   1           1HD      PRO   1   0.434  13.956  -2.769
   10    H    LEU   2           H        LEU   2  -3.685  14.089  -4.042
   11    HA   LEU   2           HA       LEU   2  -5.050  15.645  -6.129
   12    HB2  LEU   2           2HB      LEU   2  -6.430  13.293  -4.940
   13    HB3  LEU   2           1HB      LEU   2  -6.498  13.923  -6.572
   14    HG   LEU   2           HG       LEU   2  -4.033  12.996  -6.680
   15   HD11  LEU   2          1HD1      LEU   2  -5.274  11.598  -4.342
   16   HD12  LEU   2          2HD1      LEU   2  -3.640  12.237  -4.521
   17   HD13  LEU   2          3HD1      LEU   2  -4.109  10.766  -5.370
   18   HD21  LEU   2          3HD2      LEU   2  -4.929  10.919  -7.581
   19   HD22  LEU   2          1HD2      LEU   2  -5.913  12.294  -8.081
   20   HD23  LEU   2          2HD2      LEU   2  -6.475  11.231  -6.792
   21    H    SER   3           H        SER   3  -7.268  14.208  -4.046
   22    HA   SER   3           HA       SER   3  -7.212  16.423  -2.143
   23    HB2  SER   3           2HB      SER   3  -9.589  15.529  -3.791
   24    HB3  SER   3           1HB      SER   3  -9.734  16.529  -2.346
   25    HG   SER   3           HG       SER   3  -9.631  17.716  -4.356
   26    H    ARG   4           H        ARG   4  -7.608  13.151  -2.917
   27    HA   ARG   4           HA       ARG   4  -8.669  12.514  -0.254
   28    HB2  ARG   4           2HB      ARG   4  -9.679  10.640  -1.183
   29    HB3  ARG   4           1HB      ARG   4  -9.846  11.837  -2.457
   30    HG2  ARG   4           2HG      ARG   4  -7.516  10.734  -3.192
   31    HG3  ARG   4           1HG      ARG   4  -8.257   9.345  -2.399
   32    HD2  ARG   4           2HD      ARG   4  -9.868  10.957  -4.321
   33    HD3  ARG   4           1HD      ARG   4  -8.652   9.848  -4.951
   34    HE   ARG   4           HE       ARG   4  -9.901   8.044  -4.160
   35   HH11  ARG   4          1HH1      ARG   4 -11.405  11.078  -3.289
   36   HH12  ARG   4          2HH1      ARG   4 -12.913  10.346  -2.865
   37   HH21  ARG   4          1HH2      ARG   4 -11.886   7.090  -3.599
   38   HH22  ARG   4          2HH2      ARG   4 -13.187   8.086  -3.040
   39    H    GLY   5           H        GLY   5  -6.222  11.887  -2.615
   40    HA2  GLY   5           2HA      GLY   5  -4.004  11.231  -2.198
   41    HA3  GLY   5           1HA      GLY   5  -4.485  10.730  -0.579
   42    H    LYS   6           H        LYS   6  -6.051   9.895  -3.635
   43    HA   LYS   6           HA       LYS   6  -6.344   7.191  -3.003
   44    HB2  LYS   6           2HB      LYS   6  -6.690   6.852  -5.446
   45    HB3  LYS   6           1HB      LYS   6  -7.744   8.014  -4.653
   46    HG2  LYS   6           2HG      LYS   6  -7.215   9.459  -6.256
   47    HG3  LYS   6           1HG      LYS   6  -5.593   9.522  -5.566
   48    HD2  LYS   6           2HD      LYS   6  -5.184   8.977  -7.786
   49    HD3  LYS   6           1HD      LYS   6  -5.163   7.404  -6.989
   50    HE2  LYS   6           2HE      LYS   6  -7.829   7.809  -7.657
   51    HE3  LYS   6           1HE      LYS   6  -6.932   8.414  -9.048
   52    HZ1  LYS   6           3HZ      LYS   6  -6.307   5.784  -7.860
   53    HZ2  LYS   6           1HZ      LYS   6  -5.962   6.353  -9.416
   54    HZ3  LYS   6           2HZ      LYS   6  -7.550   5.954  -8.995
   55    H    LYS   7           H        LYS   7  -3.571   8.847  -3.904
   56    HA   LYS   7           HA       LYS   7  -2.104   6.978  -5.337
   57    HB2  LYS   7           2HB      LYS   7  -0.140   7.888  -3.969
   58    HB3  LYS   7           1HB      LYS   7  -1.054   9.050  -4.918
   59    HG2  LYS   7           2HG      LYS   7  -0.892  10.203  -2.971
   60    HG3  LYS   7           1HG      LYS   7  -2.379   9.313  -2.646
   61    HD2  LYS   7           2HD      LYS   7  -0.801   7.519  -1.650
   62    HD3  LYS   7           1HD      LYS   7   0.382   8.828  -1.599
   63    HE2  LYS   7           2HE      LYS   7  -2.291   9.461  -0.531
   64    HE3  LYS   7           1HE      LYS   7  -1.355   8.286   0.392
   65    HZ1  LYS   7           3HZ      LYS   7  -0.906  11.128   0.013
   66    HZ2  LYS   7           1HZ      LYS   7   0.483  10.162  -0.042
   67    HZ3  LYS   7           2HZ      LYS   7  -0.514  10.135   1.325
   68    H    TRP   8           H        TRP   8  -3.361   6.995  -2.234
   69    HA   TRP   8           HA       TRP   8  -1.740   4.962  -1.024
   70    HB2  TRP   8           2HB      TRP   8  -3.021   5.208   0.878
   71    HB3  TRP   8           1HB      TRP   8  -3.292   6.777   0.130
   72    HD1  TRP   8           HD       TRP   8  -5.576   6.671  -1.591
   73    HE1  TRP   8           1HE      TRP   8  -7.921   5.870  -0.980
   74    HE3  TRP   8           3HE      TRP   8  -4.339   3.592   2.257
   75    HZ2  TRP   8           2HZ      TRP   8  -9.100   4.146   0.928
   76    HZ3  TRP   8           3HZ      TRP   8  -6.126   2.408   3.440
   77    HH2  TRP   8           HH       TRP   8  -8.454   2.659   2.772
   78    H    THR   9           H        THR   9  -4.822   5.201  -2.611
   79    HA   THR   9           HA       THR   9  -5.856   2.711  -2.162
   80    HB   THR   9           HB       THR   9  -6.446   4.869  -3.861
   81    HG1  THR   9           1HG      THR   9  -8.206   4.134  -2.989
   82   HG21  THR   9          3HG2      THR   9  -5.408   3.683  -5.713
   83   HG22  THR   9          1HG2      THR   9  -7.157   3.802  -5.916
   84   HG23  THR   9          2HG2      THR   9  -6.431   2.284  -5.387
   85    H    GLU  10           H        GLU  10  -3.296   3.762  -4.127
   86    HA   GLU  10           HA       GLU  10  -2.881   1.661  -5.852
   87    HB2  GLU  10           2HB      GLU  10  -1.511   3.628  -5.945
   88    HB3  GLU  10           1HB      GLU  10  -1.063   3.449  -4.251
   89    HG2  GLU  10           2HG      GLU  10  -0.330   1.066  -5.491
   90    HG3  GLU  10           1HG      GLU  10   0.188   2.362  -6.560
   91    H    LYS  11           H        LYS  11  -2.016   2.150  -2.518
   92    HA   LYS  11           HA       LYS  11  -0.595  -0.224  -2.079
   93    HB2  LYS  11           2HB      LYS  11  -2.178   1.426  -0.163
   94    HB3  LYS  11           1HB      LYS  11  -0.940   0.252   0.261
   95    HG2  LYS  11           2HG      LYS  11   0.767   1.558  -0.615
   96    HG3  LYS  11           1HG      LYS  11  -0.360   2.566  -1.524
   97    HD2  LYS  11           2HD      LYS  11   0.729   3.099   1.004
   98    HD3  LYS  11           1HD      LYS  11  -0.551   3.990   0.183
   99    HE2  LYS  11           2HE      LYS  11  -2.248   2.712   1.252
  100    HE3  LYS  11           1HE      LYS  11  -1.074   1.545   1.864
  101    HZ1  LYS  11           3HZ      LYS  11  -0.663   4.308   2.675
  102    HZ2  LYS  11           1HZ      LYS  11  -0.503   2.882   3.571
  103    HZ3  LYS  11           2HZ      LYS  11  -2.035   3.554   3.316
  104    H    LEU  12           H        LEU  12  -3.903   0.530  -2.265
  105    HA   LEU  12           HA       LEU  12  -4.587  -2.010  -1.009
  106    HB2  LEU  12           2HB      LEU  12  -6.919  -0.698  -1.844
  107    HB3  LEU  12           1HB      LEU  12  -6.394  -1.145  -0.246
  108    HG   LEU  12           HG       LEU  12  -6.462   1.466  -1.539
  109   HD11  LEU  12          1HD1      LEU  12  -7.652   1.711   0.276
  110   HD12  LEU  12          2HD1      LEU  12  -6.187   1.516   1.228
  111   HD13  LEU  12          3HD1      LEU  12  -7.175   0.115   0.847
  112   HD21  LEU  12          3HD2      LEU  12  -3.989   0.447  -0.266
  113   HD22  LEU  12          1HD2      LEU  12  -4.525   2.046   0.210
  114   HD23  LEU  12          2HD2      LEU  12  -4.197   1.693  -1.476
  115    H    ALA  13           H        ALA  13  -4.432  -0.233  -3.881
  116    HA   ALA  13           HA       ALA  13  -5.845  -2.056  -5.537
  117    HB1  ALA  13           1HB      ALA  13  -5.141  -0.747  -7.252
  118    HB2  ALA  13           2HB      ALA  13  -3.458  -0.837  -6.735
  119    HB3  ALA  13           3HB      ALA  13  -4.548   0.333  -5.991
  120    H    ARG  14           H        ARG  14  -3.046  -2.092  -3.588
  121    HA   ARG  14           HA       ARG  14  -2.090  -4.568  -4.932
  122    HB2  ARG  14           2HB      ARG  14   0.063  -4.090  -3.840
  123    HB3  ARG  14           1HB      ARG  14  -0.438  -2.754  -4.879
  124    HG2  ARG  14           2HG      ARG  14  -0.494  -1.347  -3.165
  125    HG3  ARG  14           1HG      ARG  14  -1.512  -2.443  -2.245
  126    HD2  ARG  14           2HD      ARG  14   0.635  -1.861  -1.164
  127    HD3  ARG  14           1HD      ARG  14   0.319  -3.584  -1.358
  128    HE   ARG  14           HE       ARG  14   2.218  -3.718  -2.612
  129   HH11  ARG  14          1HH1      ARG  14   1.126  -0.393  -2.713
  130   HH12  ARG  14          2HH1      ARG  14   2.463   0.144  -3.673
  131   HH21  ARG  14          1HH2      ARG  14   3.975  -3.001  -3.861
  132   HH22  ARG  14          2HH2      ARG  14   4.081  -1.333  -4.316
  133    H    PHE  15           H        PHE  15  -3.496  -3.203  -2.081
  134    HA   PHE  15           HA       PHE  15  -2.913  -5.716  -0.667
  135    HB2  PHE  15           2HB      PHE  15  -2.818  -4.607   1.419
  136    HB3  PHE  15           1HB      PHE  15  -1.808  -3.713   0.304
  137    HD1  PHE  15           2HD      PHE  15  -5.479  -3.531   1.047
  138    HD2  PHE  15           1HD      PHE  15  -1.706  -1.591   0.915
  139    HE1  PHE  15           2HE      PHE  15  -6.513  -1.485   1.753
  140    HE2  PHE  15           1HE      PHE  15  -2.721   0.458   1.636
  141    HZ   PHE  15           HZ       PHE  15  -5.143   0.548   2.115
  142    H    GLN  16           H        GLN  16  -5.381  -3.398  -1.423
  143    HA   GLN  16           HA       GLN  16  -7.498  -4.248   0.109
  144    HB2  GLN  16           2HB      GLN  16  -8.785  -3.047  -1.348
  145    HB3  GLN  16           1HB      GLN  16  -7.209  -2.478  -1.850
  146    HG2  GLN  16           2HG      GLN  16  -8.044  -2.953  -3.885
  147    HG3  GLN  16           1HG      GLN  16  -7.390  -4.542  -3.493
  148   HE21  GLN  16          1HE2      GLN  16 -10.293  -2.602  -3.679
  149   HE22  GLN  16          2HE2      GLN  16 -11.407  -3.923  -3.731
  150    H    ARG  17           H        ARG  17  -5.751  -5.969  -2.219
  151    HA   ARG  17           HA       ARG  17  -7.383  -7.747  -3.436
  152    HB2  ARG  17           2HB      ARG  17  -5.326  -9.364  -2.917
  153    HB3  ARG  17           1HB      ARG  17  -5.228  -8.052  -4.083
  154    HG2  ARG  17           2HG      ARG  17  -3.773  -6.863  -2.821
  155    HG3  ARG  17           1HG      ARG  17  -4.555  -7.321  -1.310
  156    HD2  ARG  17           2HD      ARG  17  -2.726  -8.567  -1.000
  157    HD3  ARG  17           1HD      ARG  17  -3.533  -9.697  -2.086
  158    HE   ARG  17           HE       ARG  17  -2.159  -8.090  -3.774
  159   HH11  ARG  17          1HH1      ARG  17  -1.244  -9.923  -0.949
  160   HH12  ARG  17          2HH1      ARG  17   0.376 -10.194  -1.495
  161   HH21  ARG  17          1HH2      ARG  17  -0.029  -8.446  -4.495
  162   HH22  ARG  17          2HH2      ARG  17   1.067  -9.357  -3.509
  163    H    SER  18           H        SER  18  -6.916  -7.489  -0.069
  164    HA   SER  18           HA       SER  18  -7.116  -9.973   0.990
  165    HB2  SER  18           2HB      SER  18  -8.768  -7.604   1.852
  166    HB3  SER  18           1HB      SER  18  -8.398  -9.019   2.837
  167    HG   SER  18           HG       SER  18  -6.912  -7.494   3.392
  168    H    SER  19           H        SER  19  -9.493  -8.372  -0.911
  169    HA   SER  19           HA       SER  19 -11.818  -9.747  -0.201
  170    HB2  SER  19           2HB      SER  19 -10.948  -8.016  -2.316
  171    HB3  SER  19           1HB      SER  19 -11.866  -9.353  -3.006
  172    HG   SER  19           HG       SER  19 -12.719  -7.645  -0.903
  173    H    ALA  20           H        ALA  20  -8.983 -11.005  -1.366
  174    HA   ALA  20           HA       ALA  20  -9.454 -12.870  -3.269
  175    HB1  ALA  20           1HB      ALA  20  -7.880 -14.354  -1.761
  176    HB2  ALA  20           2HB      ALA  20  -7.731 -12.847  -0.856
  177    HB3  ALA  20           3HB      ALA  20  -7.287 -12.898  -2.562
  178    H    LYS  21           H        LYS  21 -10.613 -12.924  -0.024
  179    HA   LYS  21           HA       LYS  21 -12.083 -15.391  -0.597
  180    HB2  LYS  21           2HB      LYS  21 -11.237 -14.622   2.170
  181    HB3  LYS  21           1HB      LYS  21 -11.812 -16.178   1.588
  182    HG2  LYS  21           2HG      LYS  21  -9.748 -16.551   0.404
  183    HG3  LYS  21           1HG      LYS  21  -9.177 -14.936   0.827
  184    HD2  LYS  21           2HD      LYS  21  -9.794 -17.146   2.786
  185    HD3  LYS  21           1HD      LYS  21  -8.180 -16.672   2.253
  186    HE2  LYS  21           2HE      LYS  21  -9.385 -14.304   3.097
  187    HE3  LYS  21           1HE      LYS  21  -9.866 -15.509   4.292
  188    HZ1  LYS  21           3HZ      LYS  21  -7.051 -15.222   3.437
  189    HZ2  LYS  21           1HZ      LYS  21  -7.660 -15.954   4.836
  190    HZ3  LYS  21           2HZ      LYS  21  -7.697 -14.270   4.677
  191    H    LYS  22           H        LYS  22 -13.406 -13.613  -1.357
  192    HA   LYS  22           HA       LYS  22 -15.076 -12.431   0.756
  193    HB2  LYS  22           2HB      LYS  22 -13.939 -10.904  -0.924
  194    HB3  LYS  22           1HB      LYS  22 -15.005 -11.590  -2.140
  195    HG2  LYS  22           2HG      LYS  22 -16.786 -10.876  -0.216
  196    HG3  LYS  22           1HG      LYS  22 -15.553  -9.625  -0.040
  197    HD2  LYS  22           2HD      LYS  22 -17.200  -8.859  -1.611
  198    HD3  LYS  22           1HD      LYS  22 -15.711  -9.211  -2.489
  199    HE2  LYS  22           2HE      LYS  22 -16.899 -11.590  -2.711
  200    HE3  LYS  22           1HE      LYS  22 -18.337 -10.584  -2.559
  201    HZ1  LYS  22           3HZ      LYS  22 -17.182 -11.062  -4.874
  202    HZ2  LYS  22           1HZ      LYS  22 -16.288  -9.695  -4.435
  203    HZ3  LYS  22           2HZ      LYS  22 -17.973  -9.603  -4.550
  204    H    LYS  23           H        LYS  23 -15.148 -15.183  -0.618
  205    HA   LYS  23           HA       LYS  23 -18.032 -15.145  -1.111
  206    HB2  LYS  23           2HB      LYS  23 -17.792 -16.682  -2.996
  207    HB3  LYS  23           1HB      LYS  23 -16.944 -15.175  -3.311
  208    HG2  LYS  23           2HG      LYS  23 -15.318 -17.294  -2.085
  209    HG3  LYS  23           1HG      LYS  23 -15.898 -17.628  -3.719
  210    HD2  LYS  23           2HD      LYS  23 -15.035 -15.263  -4.272
  211    HD3  LYS  23           1HD      LYS  23 -14.136 -15.397  -2.761
  212    HE2  LYS  23           2HE      LYS  23 -13.963 -17.263  -5.125
  213    HE3  LYS  23           1HE      LYS  23 -12.752 -16.079  -4.637
  214    HZ1  LYS  23           3HZ      LYS  23 -13.626 -18.319  -2.902
  215    HZ2  LYS  23           1HZ      LYS  23 -12.300 -17.292  -2.671
  216    HZ3  LYS  23           2HZ      LYS  23 -12.292 -18.413  -3.938
  217    H    ARG  24           H        ARG  24 -17.299 -15.783   1.262
  218    HA   ARG  24           HA       ARG  24 -17.406 -17.376   2.885
  219    HB2  ARG  24           2HB      ARG  24 -18.324 -19.150   0.614
  220    HB3  ARG  24           1HB      ARG  24 -18.445 -19.543   2.324
  221    HG2  ARG  24           2HG      ARG  24 -19.728 -17.184   2.308
  222    HG3  ARG  24           1HG      ARG  24 -20.086 -17.741   0.672
  223    HD2  ARG  24           2HD      ARG  24 -20.803 -19.930   1.713
  224    HD3  ARG  24           1HD      ARG  24 -20.701 -19.120   3.275
  225    HE   ARG  24           HE       ARG  24 -22.297 -17.499   1.767
  226   HH11  ARG  24          1HH1      ARG  24 -22.376 -20.866   2.680
  227   HH12  ARG  24          2HH1      ARG  24 -24.104 -20.964   2.648
  228   HH21  ARG  24          1HH2      ARG  24 -24.571 -17.625   1.725
  229   HH22  ARG  24          2HH2      ARG  24 -25.351 -19.124   2.105
  Start of MODEL    7
    1    H2   PRO   1           1HT      PRO   1  -0.096  15.269  -5.723
    2    H3   PRO   1           2HT      PRO   1   0.828  13.939  -5.446
    3    HA   PRO   1           HA       PRO   1  -0.836  12.811  -5.068
    4    HB2  PRO   1           2HB      PRO   1  -2.279  13.797  -2.980
    5    HB3  PRO   1           1HB      PRO   1  -0.754  12.923  -2.784
    6    HG2  PRO   1           2HG      PRO   1  -1.248  15.872  -2.862
    7    HG3  PRO   1           1HG      PRO   1  -0.241  14.939  -1.739
    8    HD2  PRO   1           2HD      PRO   1   0.846  16.280  -3.794
    9    HD3  PRO   1           1HD      PRO   1   1.487  14.710  -3.278
   10    H    LEU   2           H        LEU   2  -3.475  13.526  -4.134
   11    HA   LEU   2           HA       LEU   2  -4.393  15.219  -6.356
   12    HB2  LEU   2           2HB      LEU   2  -6.190  13.107  -5.266
   13    HB3  LEU   2           1HB      LEU   2  -6.053  13.724  -6.900
   14    HG   LEU   2           HG       LEU   2  -3.782  12.471  -6.921
   15   HD11  LEU   2          1HD1      LEU   2  -5.037  11.554  -4.406
   16   HD12  LEU   2          2HD1      LEU   2  -3.334  11.667  -4.852
   17   HD13  LEU   2          3HD1      LEU   2  -4.307  10.313  -5.425
   18   HD21  LEU   2          3HD2      LEU   2  -5.498  11.774  -8.369
   19   HD22  LEU   2          1HD2      LEU   2  -6.505  11.209  -7.037
   20   HD23  LEU   2          2HD2      LEU   2  -5.040  10.329  -7.470
   21    H    SER   3           H        SER   3  -6.968  14.156  -4.443
   22    HA   SER   3           HA       SER   3  -6.762  16.419  -2.603
   23    HB2  SER   3           2HB      SER   3  -9.202  15.739  -4.271
   24    HB3  SER   3           1HB      SER   3  -9.135  16.976  -3.016
   25    HG   SER   3           HG       SER   3  -8.408  17.150  -5.591
   26    H    ARG   4           H        ARG   4  -7.372  13.192  -3.235
   27    HA   ARG   4           HA       ARG   4  -8.798  12.789  -0.701
   28    HB2  ARG   4           2HB      ARG   4  -9.765  10.868  -1.643
   29    HB3  ARG   4           1HB      ARG   4  -9.814  12.059  -2.933
   30    HG2  ARG   4           2HG      ARG   4  -7.446  10.869  -3.456
   31    HG3  ARG   4           1HG      ARG   4  -8.339   9.513  -2.765
   32    HD2  ARG   4           2HD      ARG   4  -9.386  11.287  -4.966
   33    HD3  ARG   4           1HD      ARG   4  -8.536   9.770  -5.252
   34    HE   ARG   4           HE       ARG   4 -10.523   9.027  -3.591
   35   HH11  ARG   4          1HH1      ARG   4 -10.493  10.864  -6.560
   36   HH12  ARG   4          2HH1      ARG   4 -12.084  10.368  -7.029
   37   HH21  ARG   4          1HH2      ARG   4 -12.616   8.375  -4.207
   38   HH22  ARG   4          2HH2      ARG   4 -13.290   8.955  -5.694
   39    H    GLY   5           H        GLY   5  -6.144  11.871  -2.711
   40    HA2  GLY   5           2HA      GLY   5  -4.036  11.125  -1.968
   41    HA3  GLY   5           1HA      GLY   5  -4.769  10.678  -0.429
   42    H    LYS   6           H        LYS   6  -6.001   9.888  -3.635
   43    HA   LYS   6           HA       LYS   6  -6.378   7.175  -2.964
   44    HB2  LYS   6           2HB      LYS   6  -6.790   6.838  -5.379
   45    HB3  LYS   6           1HB      LYS   6  -7.787   8.056  -4.598
   46    HG2  LYS   6           2HG      LYS   6  -6.590   9.825  -5.616
   47    HG3  LYS   6           1HG      LYS   6  -5.305   8.740  -6.146
   48    HD2  LYS   6           2HD      LYS   6  -7.962   7.991  -7.115
   49    HD3  LYS   6           1HD      LYS   6  -7.416   9.570  -7.682
   50    HE2  LYS   6           2HE      LYS   6  -6.631   8.080  -9.301
   51    HE3  LYS   6           1HE      LYS   6  -5.226   8.388  -8.281
   52    HZ1  LYS   6           3HZ      LYS   6  -6.998   6.074  -7.796
   53    HZ2  LYS   6           1HZ      LYS   6  -5.400   6.307  -7.288
   54    HZ3  LYS   6           2HZ      LYS   6  -5.732   5.989  -8.916
   55    H    LYS   7           H        LYS   7  -3.615   8.847  -3.879
   56    HA   LYS   7           HA       LYS   7  -2.155   6.997  -5.342
   57    HB2  LYS   7           2HB      LYS   7  -0.331   8.268  -4.777
   58    HB3  LYS   7           1HB      LYS   7  -1.603   9.394  -4.336
   59    HG2  LYS   7           2HG      LYS   7  -0.122   7.574  -2.455
   60    HG3  LYS   7           1HG      LYS   7   0.124   9.312  -2.637
   61    HD2  LYS   7           2HD      LYS   7  -2.653   8.710  -2.163
   62    HD3  LYS   7           1HD      LYS   7  -1.642   8.020  -0.895
   63    HE2  LYS   7           2HE      LYS   7  -1.880  10.887  -1.753
   64    HE3  LYS   7           1HE      LYS   7  -2.214  10.186  -0.171
   65    HZ1  LYS   7           3HZ      LYS   7  -0.170  11.088   0.197
   66    HZ2  LYS   7           1HZ      LYS   7   0.358  10.868  -1.396
   67    HZ3  LYS   7           2HZ      LYS   7   0.308   9.554  -0.333
   68    H    TRP   8           H        TRP   8  -3.408   6.995  -2.251
   69    HA   TRP   8           HA       TRP   8  -1.744   4.983  -1.052
   70    HB2  TRP   8           2HB      TRP   8  -3.008   5.199   0.863
   71    HB3  TRP   8           1HB      TRP   8  -3.316   6.765   0.124
   72    HD1  TRP   8           HD       TRP   8  -5.617   6.564  -1.609
   73    HE1  TRP   8           1HE      TRP   8  -7.940   5.745  -0.940
   74    HE3  TRP   8           3HE      TRP   8  -4.273   3.660   2.336
   75    HZ2  TRP   8           2HZ      TRP   8  -9.062   4.071   1.052
   76    HZ3  TRP   8           3HZ      TRP   8  -6.023   2.487   3.588
   77    HH2  TRP   8           HH       TRP   8  -8.363   2.669   2.943
   78    H    THR   9           H        THR   9  -4.855   5.173  -2.595
   79    HA   THR   9           HA       THR   9  -5.799   2.615  -2.233
   80    HB   THR   9           HB       THR   9  -6.490   4.843  -3.815
   81    HG1  THR   9           1HG      THR   9  -7.734   2.358  -3.305
   82   HG21  THR   9          3HG2      THR   9  -6.403   2.337  -5.469
   83   HG22  THR   9          1HG2      THR   9  -5.452   3.795  -5.744
   84   HG23  THR   9          2HG2      THR   9  -7.207   3.845  -5.906
   85    H    GLU  10           H        GLU  10  -3.329   3.896  -4.182
   86    HA   GLU  10           HA       GLU  10  -2.850   1.880  -6.019
   87    HB2  GLU  10           2HB      GLU  10  -1.098   3.257  -6.457
   88    HB3  GLU  10           1HB      GLU  10  -1.672   4.247  -5.131
   89    HG2  GLU  10           2HG      GLU  10   0.555   3.940  -4.620
   90    HG3  GLU  10           1HG      GLU  10  -0.246   2.725  -3.633
   91    H    LYS  11           H        LYS  11  -2.073   2.188  -2.654
   92    HA   LYS  11           HA       LYS  11  -0.533  -0.197  -2.516
   93    HB2  LYS  11           2HB      LYS  11  -1.931   1.065  -0.222
   94    HB3  LYS  11           1HB      LYS  11  -0.419   0.172  -0.214
   95    HG2  LYS  11           2HG      LYS  11   0.779   1.964  -1.051
   96    HG3  LYS  11           1HG      LYS  11  -0.668   2.774  -1.649
   97    HD2  LYS  11           2HD      LYS  11   0.636   3.084   0.873
   98    HD3  LYS  11           1HD      LYS  11  -0.756   3.956   0.237
   99    HE2  LYS  11           2HE      LYS  11  -2.268   2.292   1.118
  100    HE3  LYS  11           1HE      LYS  11  -0.918   1.272   1.617
  101    HZ1  LYS  11           3HZ      LYS  11  -1.928   2.582   3.443
  102    HZ2  LYS  11           1HZ      LYS  11  -1.410   4.001   2.682
  103    HZ3  LYS  11           2HZ      LYS  11  -0.276   2.878   3.243
  104    H    LEU  12           H        LEU  12  -3.826   0.738  -1.993
  105    HA   LEU  12           HA       LEU  12  -4.462  -1.847  -0.938
  106    HB2  LEU  12           2HB      LEU  12  -6.766  -0.494  -1.843
  107    HB3  LEU  12           1HB      LEU  12  -6.355  -1.119  -0.273
  108    HG   LEU  12           HG       LEU  12  -6.508   1.589  -1.193
  109   HD11  LEU  12          1HD1      LEU  12  -7.446   1.633   0.768
  110   HD12  LEU  12          2HD1      LEU  12  -5.926   1.219   1.549
  111   HD13  LEU  12          3HD1      LEU  12  -7.013  -0.050   1.005
  112   HD21  LEU  12          3HD2      LEU  12  -4.232   1.825  -1.399
  113   HD22  LEU  12          1HD2      LEU  12  -3.870   0.622  -0.179
  114   HD23  LEU  12          2HD2      LEU  12  -4.455   2.204   0.300
  115    H    ALA  13           H        ALA  13  -4.441  -0.068  -3.823
  116    HA   ALA  13           HA       ALA  13  -5.828  -1.904  -5.479
  117    HB1  ALA  13           1HB      ALA  13  -5.243   0.226  -6.438
  118    HB2  ALA  13           2HB      ALA  13  -4.304  -0.996  -7.296
  119    HB3  ALA  13           3HB      ALA  13  -3.537  -0.008  -6.053
  120    H    ARG  14           H        ARG  14  -3.088  -1.940  -3.511
  121    HA   ARG  14           HA       ARG  14  -1.911  -4.274  -4.877
  122    HB2  ARG  14           2HB      ARG  14   0.094  -3.684  -3.991
  123    HB3  ARG  14           1HB      ARG  14  -0.663  -2.108  -3.789
  124    HG2  ARG  14           2HG      ARG  14  -1.453  -3.079  -1.486
  125    HG3  ARG  14           1HG      ARG  14  -0.137  -4.217  -1.729
  126    HD2  ARG  14           2HD      ARG  14   0.171  -1.255  -1.884
  127    HD3  ARG  14           1HD      ARG  14   0.394  -2.174  -0.409
  128    HE   ARG  14           HE       ARG  14   2.343  -3.129  -1.332
  129   HH11  ARG  14          1HH1      ARG  14   0.879  -0.814  -3.532
  130   HH12  ARG  14          2HH1      ARG  14   2.322  -0.613  -4.460
  131   HH21  ARG  14          1HH2      ARG  14   4.220  -2.862  -2.579
  132   HH22  ARG  14          2HH2      ARG  14   4.208  -1.779  -3.931
  133    H    PHE  15           H        PHE  15  -3.670  -3.236  -2.031
  134    HA   PHE  15           HA       PHE  15  -3.389  -5.994  -1.032
  135    HB2  PHE  15           2HB      PHE  15  -3.412  -5.114   1.222
  136    HB3  PHE  15           1HB      PHE  15  -2.099  -4.445   0.270
  137    HD1  PHE  15           1HD      PHE  15  -5.625  -3.617   1.168
  138    HD2  PHE  15           2HD      PHE  15  -1.665  -2.276   0.445
  139    HE1  PHE  15           1HE      PHE  15  -6.243  -1.414   1.876
  140    HE2  PHE  15           2HE      PHE  15  -2.265  -0.076   1.147
  141    HZ   PHE  15           HZ       PHE  15  -4.560   0.407   1.916
  142    H    GLN  16           H        GLN  16  -5.612  -3.311  -1.369
  143    HA   GLN  16           HA       GLN  16  -7.809  -4.003   0.019
  144    HB2  GLN  16           2HB      GLN  16  -7.344  -2.852  -2.636
  145    HB3  GLN  16           1HB      GLN  16  -8.945  -3.541  -2.420
  146    HG2  GLN  16           2HG      GLN  16  -7.947  -1.832  -0.257
  147    HG3  GLN  16           1HG      GLN  16  -8.297  -1.039  -1.792
  148   HE21  GLN  16          1HE2      GLN  16 -10.412  -0.965  -2.545
  149   HE22  GLN  16          2HE2      GLN  16 -11.767  -1.313  -1.531
  150    H    ARG  17           H        ARG  17  -6.447  -5.724  -2.635
  151    HA   ARG  17           HA       ARG  17  -8.340  -7.418  -3.559
  152    HB2  ARG  17           2HB      ARG  17  -6.294  -9.136  -3.428
  153    HB3  ARG  17           1HB      ARG  17  -6.347  -7.811  -4.583
  154    HG2  ARG  17           2HG      ARG  17  -4.808  -6.531  -3.382
  155    HG3  ARG  17           1HG      ARG  17  -5.087  -7.427  -1.890
  156    HD2  ARG  17           2HD      ARG  17  -2.911  -7.833  -3.204
  157    HD3  ARG  17           1HD      ARG  17  -3.796  -9.214  -2.562
  158    HE   ARG  17           HE       ARG  17  -4.474  -8.522  -5.277
  159   HH11  ARG  17          1HH1      ARG  17  -2.352 -10.385  -3.225
  160   HH12  ARG  17          2HH1      ARG  17  -1.978 -11.545  -4.453
  161   HH21  ARG  17          1HH2      ARG  17  -3.982 -10.049  -6.894
  162   HH22  ARG  17          2HH2      ARG  17  -2.901 -11.354  -6.537
  163    H    SER  18           H        SER  18  -6.847  -7.473  -0.435
  164    HA   SER  18           HA       SER  18  -7.822 -10.086   0.289
  165    HB2  SER  18           2HB      SER  18  -6.598  -7.883   1.940
  166    HB3  SER  18           1HB      SER  18  -6.985  -9.494   2.541
  167    HG   SER  18           HG       SER  18  -5.505 -10.346   1.045
  168    H    SER  19           H        SER  19  -9.610  -7.619  -0.370
  169    HA   SER  19           HA       SER  19 -11.064  -6.801   1.814
  170    HB2  SER  19           2HB      SER  19 -11.281  -6.445  -0.884
  171    HB3  SER  19           1HB      SER  19 -12.717  -7.411  -0.545
  172    HG   SER  19           HG       SER  19 -13.551  -5.602   0.102
  173    H    ALA  20           H        ALA  20 -10.813  -9.960   0.608
  174    HA   ALA  20           HA       ALA  20 -13.322 -11.046   1.168
  175    HB1  ALA  20           1HB      ALA  20 -11.784 -13.148   1.675
  176    HB2  ALA  20           2HB      ALA  20 -10.571 -12.115   0.920
  177    HB3  ALA  20           3HB      ALA  20 -12.036 -12.544   0.038
  178    H    LYS  21           H        LYS  21 -10.658 -10.262   3.235
  179    HA   LYS  21           HA       LYS  21 -12.273 -10.974   5.567
  180    HB2  LYS  21           2HB      LYS  21  -9.282 -11.107   5.567
  181    HB3  LYS  21           1HB      LYS  21 -10.408 -11.762   6.744
  182    HG2  LYS  21           2HG      LYS  21 -10.824 -13.632   5.521
  183    HG3  LYS  21           1HG      LYS  21 -10.565 -12.814   3.979
  184    HD2  LYS  21           2HD      LYS  21  -8.251 -13.189   5.820
  185    HD3  LYS  21           1HD      LYS  21  -8.832 -14.571   4.888
  186    HE2  LYS  21           2HE      LYS  21  -8.663 -13.094   2.843
  187    HE3  LYS  21           1HE      LYS  21  -7.799 -11.938   3.858
  188    HZ1  LYS  21           3HZ      LYS  21  -6.615 -13.884   2.467
  189    HZ2  LYS  21           1HZ      LYS  21  -6.807 -14.659   3.959
  190    HZ3  LYS  21           2HZ      LYS  21  -5.958 -13.197   3.867
  191    H    LYS  22           H        LYS  22 -12.806  -8.761   5.017
  192    HA   LYS  22           HA       LYS  22 -11.037  -6.601   5.448
  193    HB2  LYS  22           2HB      LYS  22 -13.919  -6.948   5.016
  194    HB3  LYS  22           1HB      LYS  22 -13.504  -5.543   5.988
  195    HG2  LYS  22           2HG      LYS  22 -11.881  -5.880   3.569
  196    HG3  LYS  22           1HG      LYS  22 -13.596  -5.582   3.281
  197    HD2  LYS  22           2HD      LYS  22 -13.540  -3.513   4.359
  198    HD3  LYS  22           1HD      LYS  22 -12.042  -3.894   5.211
  199    HE2  LYS  22           2HE      LYS  22 -12.054  -3.764   2.228
  200    HE3  LYS  22           1HE      LYS  22 -12.025  -2.269   3.163
  201    HZ1  LYS  22           3HZ      LYS  22  -9.837  -3.593   2.456
  202    HZ2  LYS  22           1HZ      LYS  22 -10.118  -4.310   3.963
  203    HZ3  LYS  22           2HZ      LYS  22  -9.925  -2.634   3.846
  204    H    LYS  23           H        LYS  23 -12.358  -8.778   7.648
  205    HA   LYS  23           HA       LYS  23 -11.668  -6.990   9.858
  206    HB2  LYS  23           2HB      LYS  23 -14.081  -8.806   9.929
  207    HB3  LYS  23           1HB      LYS  23 -13.596  -7.626  11.138
  208    HG2  LYS  23           2HG      LYS  23 -15.045  -6.255  10.157
  209    HG3  LYS  23           1HG      LYS  23 -13.848  -6.100   8.870
  210    HD2  LYS  23           2HD      LYS  23 -14.973  -7.534   7.466
  211    HD3  LYS  23           1HD      LYS  23 -15.764  -8.384   8.796
  212    HE2  LYS  23           2HE      LYS  23 -16.396  -5.517   8.182
  213    HE3  LYS  23           1HE      LYS  23 -17.186  -6.832   7.313
  214    HZ1  LYS  23           3HZ      LYS  23 -18.122  -5.804   9.571
  215    HZ2  LYS  23           1HZ      LYS  23 -17.170  -7.048  10.210
  216    HZ3  LYS  23           2HZ      LYS  23 -18.397  -7.405   9.104
  217    H    ARG  24           H        ARG  24  -9.822  -8.599   9.096
  218    HA   ARG  24           HA       ARG  24  -9.847 -10.772  11.068
  219    HB2  ARG  24           2HB      ARG  24  -9.272 -10.976   8.141
  220    HB3  ARG  24           1HB      ARG  24  -8.393 -12.014   9.256
  221    HG2  ARG  24           2HG      ARG  24 -10.745 -12.610  10.166
  222    HG3  ARG  24           1HG      ARG  24 -11.310 -11.965   8.624
  223    HD2  ARG  24           2HD      ARG  24 -11.009 -14.353   8.442
  224    HD3  ARG  24           1HD      ARG  24  -9.805 -13.529   7.453
  225    HE   ARG  24           HE       ARG  24  -8.511 -13.929   9.792
  226   HH11  ARG  24          1HH1      ARG  24 -10.275 -16.045   7.651
  227   HH12  ARG  24          2HH1      ARG  24  -9.330 -17.441   8.049
  228   HH21  ARG  24          1HH2      ARG  24  -7.266 -15.762  10.315
  229   HH22  ARG  24          2HH2      ARG  24  -7.621 -17.280   9.561
  Start of MODEL    8
    1    H2   PRO   1           1HT      PRO   1  -1.297  15.891  -3.706
    2    H3   PRO   1           2HT      PRO   1   0.307  16.060  -4.023
    3    HA   PRO   1           HA       PRO   1   0.269  14.842  -5.690
    4    HB2  PRO   1           2HB      PRO   1  -1.425  12.658  -5.256
    5    HB3  PRO   1           1HB      PRO   1   0.332  12.679  -5.061
    6    HG2  PRO   1           2HG      PRO   1  -1.803  13.030  -3.010
    7    HG3  PRO   1           1HG      PRO   1  -0.236  12.213  -2.874
    8    HD2  PRO   1           2HD      PRO   1  -0.601  14.620  -1.795
    9    HD3  PRO   1           1HD      PRO   1   0.927  14.216  -2.602
   10    H    LEU   2           H        LEU   2  -2.981  14.064  -4.436
   11    HA   LEU   2           HA       LEU   2  -4.105  15.573  -6.697
   12    HB2  LEU   2           2HB      LEU   2  -5.690  13.338  -5.558
   13    HB3  LEU   2           1HB      LEU   2  -5.535  13.867  -7.220
   14    HG   LEU   2           HG       LEU   2  -3.092  12.839  -6.893
   15   HD11  LEU   2          1HD1      LEU   2  -3.547  10.643  -5.607
   16   HD12  LEU   2          2HD1      LEU   2  -4.830  11.563  -4.822
   17   HD13  LEU   2          3HD1      LEU   2  -3.158  12.101  -4.693
   18   HD21  LEU   2          3HD2      LEU   2  -3.814  11.048  -8.175
   19   HD22  LEU   2          1HD2      LEU   2  -5.060  12.258  -8.475
   20   HD23  LEU   2          2HD2      LEU   2  -5.363  10.944  -7.339
   21    H    SER   3           H        SER   3  -6.554  14.305  -4.766
   22    HA   SER   3           HA       SER   3  -6.559  16.584  -2.937
   23    HB2  SER   3           2HB      SER   3  -8.571  15.941  -5.032
   24    HB3  SER   3           1HB      SER   3  -9.195  16.440  -3.460
   25    HG   SER   3           HG       SER   3  -8.773  18.170  -5.010
   26    H    ARG   4           H        ARG   4  -6.846  13.326  -3.525
   27    HA   ARG   4           HA       ARG   4  -8.269  12.824  -1.006
   28    HB2  ARG   4           2HB      ARG   4  -9.145  10.852  -1.954
   29    HB3  ARG   4           1HB      ARG   4  -9.315  12.078  -3.200
   30    HG2  ARG   4           2HG      ARG   4  -6.863  10.994  -3.781
   31    HG3  ARG   4           1HG      ARG   4  -7.769   9.592  -3.215
   32    HD2  ARG   4           2HD      ARG   4  -9.000  11.496  -5.169
   33    HD3  ARG   4           1HD      ARG   4  -7.848  10.288  -5.730
   34    HE   ARG   4           HE       ARG   4  -9.685   8.914  -4.210
   35   HH11  ARG   4          1HH1      ARG   4  -9.774  10.922  -7.063
   36   HH12  ARG   4          2HH1      ARG   4 -11.148  10.115  -7.741
   37   HH21  ARG   4          1HH2      ARG   4 -11.494   7.851  -5.100
   38   HH22  ARG   4          2HH2      ARG   4 -12.125   8.372  -6.627
   39    H    GLY   5           H        GLY   5  -5.651  11.949  -3.098
   40    HA2  GLY   5           2HA      GLY   5  -3.498  11.301  -2.377
   41    HA3  GLY   5           1HA      GLY   5  -4.195  10.809  -0.837
   42    H    LYS   6           H        LYS   6  -5.419   9.979  -4.061
   43    HA   LYS   6           HA       LYS   6  -5.797   7.276  -3.478
   44    HB2  LYS   6           2HB      LYS   6  -5.665   8.816  -5.983
   45    HB3  LYS   6           1HB      LYS   6  -5.560   7.065  -6.073
   46    HG2  LYS   6           2HG      LYS   6  -7.742   8.059  -4.402
   47    HG3  LYS   6           1HG      LYS   6  -7.868   8.485  -6.110
   48    HD2  LYS   6           2HD      LYS   6  -8.316   6.381  -6.724
   49    HD3  LYS   6           1HD      LYS   6  -7.088   5.710  -5.652
   50    HE2  LYS   6           2HE      LYS   6  -8.580   5.258  -4.045
   51    HE3  LYS   6           1HE      LYS   6  -9.387   6.814  -4.234
   52    HZ1  LYS   6           3HZ      LYS   6 -10.721   4.753  -4.784
   53    HZ2  LYS   6           1HZ      LYS   6  -9.766   4.613  -6.174
   54    HZ3  LYS   6           2HZ      LYS   6 -10.727   5.986  -5.943
   55    H    LYS   7           H        LYS   7  -2.909   8.921  -4.006
   56    HA   LYS   7           HA       LYS   7  -1.268   7.027  -5.246
   57    HB2  LYS   7           2HB      LYS   7   0.148   8.074  -2.990
   58    HB3  LYS   7           1HB      LYS   7   0.349   8.477  -4.685
   59    HG2  LYS   7           2HG      LYS   7  -0.096  10.533  -3.850
   60    HG3  LYS   7           1HG      LYS   7  -1.740  10.016  -4.203
   61    HD2  LYS   7           2HD      LYS   7  -1.572  11.028  -1.979
   62    HD3  LYS   7           1HD      LYS   7  -2.030   9.329  -1.883
   63    HE2  LYS   7           2HE      LYS   7  -0.284   8.898  -0.592
   64    HE3  LYS   7           1HE      LYS   7   0.812   9.520  -1.825
   65    HZ1  LYS   7           3HZ      LYS   7  -0.625  11.351  -0.010
   66    HZ2  LYS   7           1HZ      LYS   7   0.797  11.625  -0.886
   67    HZ3  LYS   7           2HZ      LYS   7   0.821  10.615   0.470
   68    H    TRP   8           H        TRP   8  -2.901   7.098  -2.322
   69    HA   TRP   8           HA       TRP   8  -1.490   5.036  -0.895
   70    HB2  TRP   8           2HB      TRP   8  -3.107   5.225   0.787
   71    HB3  TRP   8           1HB      TRP   8  -3.119   6.845   0.096
   72    HD1  TRP   8           HD       TRP   8  -4.967   6.827  -2.136
   73    HE1  TRP   8           1HE      TRP   8  -7.429   6.239  -2.069
   74    HE3  TRP   8           3HE      TRP   8  -4.854   3.927   2.010
   75    HZ2  TRP   8           2HZ      TRP   8  -9.151   4.719  -0.372
   76    HZ3  TRP   8           3HZ      TRP   8  -6.948   2.948   2.821
   77    HH2  TRP   8           HH       TRP   8  -9.040   3.313   1.639
   78    H    THR   9           H        THR   9  -4.284   5.331  -2.927
   79    HA   THR   9           HA       THR   9  -5.456   2.862  -2.701
   80    HB   THR   9           HB       THR   9  -5.760   5.073  -4.376
   81    HG1  THR   9           1HG      THR   9  -7.124   2.613  -4.158
   82   HG21  THR   9          3HG2      THR   9  -5.443   2.602  -6.058
   83   HG22  THR   9          1HG2      THR   9  -4.360   3.993  -6.073
   84   HG23  THR   9          2HG2      THR   9  -6.035   4.175  -6.594
   85    H    GLU  10           H        GLU  10  -2.591   3.897  -4.193
   86    HA   GLU  10           HA       GLU  10  -1.944   1.803  -5.887
   87    HB2  GLU  10           2HB      GLU  10  -0.098   3.104  -6.007
   88    HB3  GLU  10           1HB      GLU  10  -0.736   4.054  -4.686
   89    HG2  GLU  10           2HG      GLU  10   1.358   3.497  -3.926
   90    HG3  GLU  10           1HG      GLU  10   0.346   2.283  -3.160
   91    H    LYS  11           H        LYS  11  -1.781   2.136  -2.436
   92    HA   LYS  11           HA       LYS  11  -0.503  -0.337  -1.885
   93    HB2  LYS  11           2HB      LYS  11  -2.223   1.338  -0.117
   94    HB3  LYS  11           1HB      LYS  11  -1.035   0.141   0.390
   95    HG2  LYS  11           2HG      LYS  11   0.751   1.466  -0.266
   96    HG3  LYS  11           1HG      LYS  11  -0.274   2.508  -1.252
   97    HD2  LYS  11           2HD      LYS  11   0.544   2.953   1.392
   98    HD3  LYS  11           1HD      LYS  11  -0.644   3.876   0.471
   99    HE2  LYS  11           2HE      LYS  11  -2.442   2.554   1.308
  100    HE3  LYS  11           1HE      LYS  11  -1.332   1.377   2.010
  101    HZ1  LYS  11           3HZ      LYS  11  -0.551   3.624   3.233
  102    HZ2  LYS  11           1HZ      LYS  11  -1.697   2.556   3.871
  103    HZ3  LYS  11           2HZ      LYS  11  -2.202   3.943   3.044
  104    H    LEU  12           H        LEU  12  -3.745   0.746  -2.297
  105    HA   LEU  12           HA       LEU  12  -4.734  -1.780  -1.289
  106    HB2  LEU  12           2HB      LEU  12  -6.872  -0.340  -2.316
  107    HB3  LEU  12           1HB      LEU  12  -6.513  -0.804  -0.681
  108    HG   LEU  12           HG       LEU  12  -6.374   1.806  -1.952
  109   HD11  LEU  12          1HD1      LEU  12  -6.373   1.784   0.847
  110   HD12  LEU  12          2HD1      LEU  12  -7.387   0.451   0.307
  111   HD13  LEU  12          3HD1      LEU  12  -7.711   2.090  -0.253
  112   HD21  LEU  12          3HD2      LEU  12  -4.605   2.352  -0.055
  113   HD22  LEU  12          1HD2      LEU  12  -4.108   1.914  -1.679
  114   HD23  LEU  12          2HD2      LEU  12  -4.082   0.715  -0.405
  115    H    ALA  13           H        ALA  13  -4.137   0.052  -4.063
  116    HA   ALA  13           HA       ALA  13  -5.529  -1.567  -5.927
  117    HB1  ALA  13           1HB      ALA  13  -4.592   0.576  -6.640
  118    HB2  ALA  13           2HB      ALA  13  -3.853  -0.728  -7.570
  119    HB3  ALA  13           3HB      ALA  13  -2.967   0.019  -6.241
  120    H    ARG  14           H        ARG  14  -2.980  -1.937  -3.697
  121    HA   ARG  14           HA       ARG  14  -2.121  -4.442  -5.043
  122    HB2  ARG  14           2HB      ARG  14  -0.064  -4.225  -3.744
  123    HB3  ARG  14           1HB      ARG  14  -0.337  -2.779  -4.719
  124    HG2  ARG  14           2HG      ARG  14  -0.377  -1.509  -2.909
  125    HG3  ARG  14           1HG      ARG  14  -1.643  -2.500  -2.211
  126    HD2  ARG  14           2HD      ARG  14   0.436  -2.283  -0.859
  127    HD3  ARG  14           1HD      ARG  14  -0.143  -3.918  -1.172
  128    HE   ARG  14           HE       ARG  14   1.884  -4.331  -2.120
  129   HH11  ARG  14          1HH1      ARG  14   1.236  -0.912  -2.519
  130   HH12  ARG  14          2HH1      ARG  14   2.712  -0.610  -3.368
  131   HH21  ARG  14          1HH2      ARG  14   3.825  -3.918  -3.224
  132   HH22  ARG  14          2HH2      ARG  14   4.182  -2.311  -3.761
  133    H    PHE  15           H        PHE  15  -3.794  -3.101  -2.314
  134    HA   PHE  15           HA       PHE  15  -3.534  -5.724  -1.011
  135    HB2  PHE  15           2HB      PHE  15  -3.669  -4.726   1.155
  136    HB3  PHE  15           1HB      PHE  15  -2.391  -3.953   0.245
  137    HD1  PHE  15           2HD      PHE  15  -6.068  -3.339   0.629
  138    HD2  PHE  15           1HD      PHE  15  -2.102  -1.837   0.794
  139    HE1  PHE  15           2HE      PHE  15  -6.912  -1.181   1.270
  140    HE2  PHE  15           1HE      PHE  15  -2.926   0.318   1.442
  141    HZ   PHE  15           HZ       PHE  15  -5.356   0.687   1.730
  142    H    GLN  16           H        GLN  16  -5.715  -3.104  -1.762
  143    HA   GLN  16           HA       GLN  16  -8.031  -4.232  -0.620
  144    HB2  GLN  16           2HB      GLN  16  -7.421  -2.202  -2.691
  145    HB3  GLN  16           1HB      GLN  16  -9.050  -2.868  -2.675
  146    HG2  GLN  16           2HG      GLN  16  -7.863  -1.977  -0.125
  147    HG3  GLN  16           1HG      GLN  16  -8.388  -0.751  -1.277
  148   HE21  GLN  16          1HE2      GLN  16  -9.329  -2.780   1.211
  149   HE22  GLN  16          2HE2      GLN  16 -11.042  -2.631   1.044
  150    H    ARG  17           H        ARG  17  -6.080  -5.368  -3.031
  151    HA   ARG  17           HA       ARG  17  -7.438  -6.352  -5.108
  152    HB2  ARG  17           2HB      ARG  17  -5.963  -8.553  -4.447
  153    HB3  ARG  17           1HB      ARG  17  -5.336  -7.137  -5.277
  154    HG2  ARG  17           2HG      ARG  17  -4.224  -6.363  -3.420
  155    HG3  ARG  17           1HG      ARG  17  -5.340  -7.135  -2.295
  156    HD2  ARG  17           2HD      ARG  17  -3.067  -8.156  -2.368
  157    HD3  ARG  17           1HD      ARG  17  -4.386  -9.278  -2.694
  158    HE   ARG  17           HE       ARG  17  -3.607  -8.424  -5.161
  159   HH11  ARG  17          1HH1      ARG  17  -1.966  -9.895  -2.457
  160   HH12  ARG  17          2HH1      ARG  17  -0.794 -10.700  -3.445
  161   HH21  ARG  17          1HH2      ARG  17  -2.066  -9.482  -6.464
  162   HH22  ARG  17          2HH2      ARG  17  -0.849 -10.465  -5.720
  163    H    SER  18           H        SER  18  -7.820  -7.346  -1.821
  164    HA   SER  18           HA       SER  18  -9.280  -9.752  -2.391
  165    HB2  SER  18           2HB      SER  18  -9.074  -8.143   0.151
  166    HB3  SER  18           1HB      SER  18  -9.777  -9.754   0.015
  167    HG   SER  18           HG       SER  18  -7.529  -9.686   0.710
  168    H    SER  19           H        SER  19 -10.155  -6.804  -3.155
  169    HA   SER  19           HA       SER  19 -12.570  -6.192  -1.967
  170    HB2  SER  19           2HB      SER  19 -11.178  -5.497  -4.428
  171    HB3  SER  19           1HB      SER  19 -12.931  -5.484  -4.625
  172    HG   SER  19           HG       SER  19 -11.314  -3.935  -2.929
  173    H    ALA  20           H        ALA  20 -11.852  -8.960  -3.737
  174    HA   ALA  20           HA       ALA  20 -13.975  -9.577  -5.308
  175    HB1  ALA  20           1HB      ALA  20 -13.200 -11.712  -3.422
  176    HB2  ALA  20           2HB      ALA  20 -11.906 -10.990  -4.378
  177    HB3  ALA  20           3HB      ALA  20 -13.289 -11.732  -5.184
  178    H    LYS  21           H        LYS  21 -13.915  -9.424  -1.854
  179    HA   LYS  21           HA       LYS  21 -16.817  -9.797  -1.796
  180    HB2  LYS  21           2HB      LYS  21 -15.010 -10.610   0.455
  181    HB3  LYS  21           1HB      LYS  21 -16.716 -10.975   0.241
  182    HG2  LYS  21           2HG      LYS  21 -14.727 -11.981  -1.743
  183    HG3  LYS  21           1HG      LYS  21 -14.930 -12.812  -0.200
  184    HD2  LYS  21           2HD      LYS  21 -16.984 -13.598  -0.743
  185    HD3  LYS  21           1HD      LYS  21 -17.413 -12.150  -1.656
  186    HE2  LYS  21           2HE      LYS  21 -15.462 -13.166  -3.225
  187    HE3  LYS  21           1HE      LYS  21 -16.128 -14.649  -2.546
  188    HZ1  LYS  21           3HZ      LYS  21 -17.808 -12.561  -3.811
  189    HZ2  LYS  21           1HZ      LYS  21 -18.252 -14.142  -3.405
  190    HZ3  LYS  21           2HZ      LYS  21 -17.165 -13.867  -4.671
  191    H    LYS  22           H        LYS  22 -16.405  -7.508  -2.140
  192    HA   LYS  22           HA       LYS  22 -15.456  -5.855  -0.019
  193    HB2  LYS  22           2HB      LYS  22 -16.456  -3.992  -1.353
  194    HB3  LYS  22           1HB      LYS  22 -15.330  -5.000  -2.252
  195    HG2  LYS  22           2HG      LYS  22 -17.121  -6.116  -3.376
  196    HG3  LYS  22           1HG      LYS  22 -18.320  -5.317  -2.356
  197    HD2  LYS  22           2HD      LYS  22 -16.424  -3.714  -4.033
  198    HD3  LYS  22           1HD      LYS  22 -17.891  -4.400  -4.736
  199    HE2  LYS  22           2HE      LYS  22 -19.258  -3.212  -3.140
  200    HE3  LYS  22           1HE      LYS  22 -17.823  -2.613  -2.308
  201    HZ1  LYS  22           3HZ      LYS  22 -17.352  -1.142  -3.988
  202    HZ2  LYS  22           1HZ      LYS  22 -19.044  -1.118  -4.014
  203    HZ3  LYS  22           2HZ      LYS  22 -18.192  -2.020  -5.164
  204    H    LYS  23           H        LYS  23 -18.286  -7.609  -0.351
  205    HA   LYS  23           HA       LYS  23 -19.568  -5.995   1.724
  206    HB2  LYS  23           2HB      LYS  23 -21.780  -6.816   0.477
  207    HB3  LYS  23           1HB      LYS  23 -20.995  -5.293   0.087
  208    HG2  LYS  23           2HG      LYS  23 -21.505  -6.326  -1.967
  209    HG3  LYS  23           1HG      LYS  23 -19.767  -6.522  -1.737
  210    HD2  LYS  23           2HD      LYS  23 -20.386  -8.801  -0.698
  211    HD3  LYS  23           1HD      LYS  23 -21.946  -8.566  -1.488
  212    HE2  LYS  23           2HE      LYS  23 -19.506  -8.155  -3.122
  213    HE3  LYS  23           1HE      LYS  23 -19.914  -9.810  -2.675
  214    HZ1  LYS  23           3HZ      LYS  23 -21.165  -9.688  -4.520
  215    HZ2  LYS  23           1HZ      LYS  23 -21.257  -7.998  -4.498
  216    HZ3  LYS  23           2HZ      LYS  23 -22.279  -8.914  -3.509
  217    H    ARG  24           H        ARG  24 -18.185  -7.988   2.539
  218    HA   ARG  24           HA       ARG  24 -19.555 -10.514   2.488
  219    HB2  ARG  24           2HB      ARG  24 -17.840 -11.134   4.235
  220    HB3  ARG  24           1HB      ARG  24 -17.189 -10.616   2.686
  221    HG2  ARG  24           2HG      ARG  24 -17.495  -8.376   4.477
  222    HG3  ARG  24           1HG      ARG  24 -16.519  -9.651   5.208
  223    HD2  ARG  24           2HD      ARG  24 -15.489  -9.581   2.700
  224    HD3  ARG  24           1HD      ARG  24 -15.938  -7.891   2.924
  225    HE   ARG  24           HE       ARG  24 -13.829  -9.324   4.264
  226   HH11  ARG  24          1HH1      ARG  24 -15.972  -6.574   4.401
  227   HH12  ARG  24          2HH1      ARG  24 -14.943  -5.666   5.456
  228   HH21  ARG  24          1HH2      ARG  24 -12.474  -8.133   5.653
  229   HH22  ARG  24          2HH2      ARG  24 -12.957  -6.551   6.168
  Start of MODEL    9
    1    H2   PRO   1           1HT      PRO   1  -3.180  15.345  -3.562
    2    H3   PRO   1           2HT      PRO   1  -1.630  15.570  -3.058
    3    HA   PRO   1           HA       PRO   1  -1.104  15.529  -5.037
    4    HB2  PRO   1           2HB      PRO   1  -1.510  12.785  -5.714
    5    HB3  PRO   1           1HB      PRO   1  -0.019  13.573  -5.194
    6    HG2  PRO   1           2HG      PRO   1  -1.441  11.720  -3.705
    7    HG3  PRO   1           1HG      PRO   1  -0.263  12.869  -3.054
    8    HD2  PRO   1           2HD      PRO   1  -3.249  13.011  -3.062
    9    HD3  PRO   1           1HD      PRO   1  -2.101  13.521  -1.813
   10    H    LEU   2           H        LEU   2  -4.086  13.643  -4.672
   11    HA   LEU   2           HA       LEU   2  -4.977  14.702  -7.266
   12    HB2  LEU   2           2HB      LEU   2  -6.583  12.453  -6.427
   13    HB3  LEU   2           1HB      LEU   2  -5.678  12.671  -7.901
   14    HG   LEU   2           HG       LEU   2  -5.068  10.619  -6.767
   15   HD11  LEU   2          1HD1      LEU   2  -3.262  11.211  -7.969
   16   HD12  LEU   2          2HD1      LEU   2  -2.547  11.335  -6.363
   17   HD13  LEU   2          3HD1      LEU   2  -3.114  12.785  -7.191
   18   HD21  LEU   2          3HD2      LEU   2  -3.589  11.764  -4.568
   19   HD22  LEU   2          1HD2      LEU   2  -4.754  10.444  -4.577
   20   HD23  LEU   2          2HD2      LEU   2  -5.312  12.110  -4.440
   21    H    SER   3           H        SER   3  -7.497  13.156  -5.674
   22    HA   SER   3           HA       SER   3  -8.287  15.545  -4.191
   23    HB2  SER   3           2HB      SER   3  -9.347  14.987  -6.677
   24    HB3  SER   3           1HB      SER   3 -10.517  14.242  -5.587
   25    HG   SER   3           HG       SER   3 -10.635  16.642  -6.197
   26    H    ARG   4           H        ARG   4  -7.971  12.203  -4.489
   27    HA   ARG   4           HA       ARG   4  -9.730  11.723  -2.182
   28    HB2  ARG   4           2HB      ARG   4 -10.223   9.608  -3.062
   29    HB3  ARG   4           1HB      ARG   4 -10.259  10.680  -4.453
   30    HG2  ARG   4           2HG      ARG   4  -7.702   9.901  -4.578
   31    HG3  ARG   4           1HG      ARG   4  -8.393   8.473  -3.807
   32    HD2  ARG   4           2HD      ARG   4  -9.943   9.530  -6.062
   33    HD3  ARG   4           1HD      ARG   4  -8.334   8.952  -6.489
   34    HE   ARG   4           HE       ARG   4  -9.299   6.932  -4.995
   35   HH11  ARG   4          1HH1      ARG   4 -10.621   8.676  -7.714
   36   HH12  ARG   4          2HH1      ARG   4 -11.547   7.330  -8.287
   37   HH21  ARG   4          1HH2      ARG   4 -10.515   5.161  -5.747
   38   HH22  ARG   4          2HH2      ARG   4 -11.487   5.334  -7.171
   39    H    GLY   5           H        GLY   5  -6.708  11.007  -3.720
   40    HA2  GLY   5           2HA      GLY   5  -4.653  10.724  -2.535
   41    HA3  GLY   5           1HA      GLY   5  -5.582  10.173  -1.142
   42    H    LYS   6           H        LYS   6  -6.079   9.172  -4.485
   43    HA   LYS   6           HA       LYS   6  -6.270   6.473  -3.873
   44    HB2  LYS   6           2HB      LYS   6  -5.672   6.150  -6.344
   45    HB3  LYS   6           1HB      LYS   6  -7.167   6.952  -5.892
   46    HG2  LYS   6           2HG      LYS   6  -6.340   9.071  -6.483
   47    HG3  LYS   6           1HG      LYS   6  -4.674   8.491  -6.535
   48    HD2  LYS   6           2HD      LYS   6  -5.283   7.064  -8.471
   49    HD3  LYS   6           1HD      LYS   6  -6.895   7.782  -8.450
   50    HE2  LYS   6           2HE      LYS   6  -4.649   9.687  -8.487
   51    HE3  LYS   6           1HE      LYS   6  -4.837   8.707  -9.940
   52    HZ1  LYS   6           3HZ      LYS   6  -6.596  10.762  -8.843
   53    HZ2  LYS   6           1HZ      LYS   6  -7.335   9.446  -9.608
   54    HZ3  LYS   6           2HZ      LYS   6  -6.226  10.403 -10.453
   55    H    LYS   7           H        LYS   7  -3.510   8.394  -3.994
   56    HA   LYS   7           HA       LYS   7  -1.491   6.667  -4.826
   57    HB2  LYS   7           2HB      LYS   7  -0.135   7.838  -3.001
   58    HB3  LYS   7           1HB      LYS   7  -0.847   8.860  -4.239
   59    HG2  LYS   7           2HG      LYS   7  -1.406  10.071  -2.408
   60    HG3  LYS   7           1HG      LYS   7  -2.805   9.001  -2.457
   61    HD2  LYS   7           2HD      LYS   7  -1.375   7.459  -0.951
   62    HD3  LYS   7           1HD      LYS   7  -0.421   8.913  -0.653
   63    HE2  LYS   7           2HE      LYS   7  -3.313   9.305  -0.419
   64    HE3  LYS   7           1HE      LYS   7  -2.646   8.166   0.749
   65    HZ1  LYS   7           3HZ      LYS   7  -2.642  10.441   1.586
   66    HZ2  LYS   7           1HZ      LYS   7  -1.660  10.932   0.298
   67    HZ3  LYS   7           2HZ      LYS   7  -1.067   9.843   1.446
   68    H    TRP   8           H        TRP   8  -3.616   6.626  -2.242
   69    HA   TRP   8           HA       TRP   8  -2.226   4.816  -0.485
   70    HB2  TRP   8           2HB      TRP   8  -4.037   4.980   0.965
   71    HB3  TRP   8           1HB      TRP   8  -4.177   6.507   0.106
   72    HD1  TRP   8           HD       TRP   8  -5.779   5.936  -2.321
   73    HE1  TRP   8           1HE      TRP   8  -8.162   5.034  -2.329
   74    HE3  TRP   8           3HE      TRP   8  -5.774   3.754   2.265
   75    HZ2  TRP   8           2HZ      TRP   8  -9.847   3.591  -0.581
   76    HZ3  TRP   8           3HZ      TRP   8  -7.811   2.640   3.039
   77    HH2  TRP   8           HH       TRP   8  -9.793   2.539   1.636
   78    H    THR   9           H        THR   9  -4.684   4.704  -2.897
   79    HA   THR   9           HA       THR   9  -5.379   2.020  -2.711
   80    HB   THR   9           HB       THR   9  -5.967   4.281  -4.342
   81    HG1  THR   9           1HG      THR   9  -7.763   3.458  -3.661
   82   HG21  THR   9          3HG2      THR   9  -4.639   3.052  -6.047
   83   HG22  THR   9          1HG2      THR   9  -6.318   3.362  -6.479
   84   HG23  THR   9          2HG2      THR   9  -5.832   1.759  -5.944
   85    H    GLU  10           H        GLU  10  -2.916   3.710  -4.333
   86    HA   GLU  10           HA       GLU  10  -2.001   1.787  -6.050
   87    HB2  GLU  10           2HB      GLU  10  -0.837   3.733  -6.311
   88    HB3  GLU  10           1HB      GLU  10  -1.015   4.141  -4.616
   89    HG2  GLU  10           2HG      GLU  10   1.344   3.810  -5.420
   90    HG3  GLU  10           1HG      GLU  10   0.868   2.904  -3.988
   91    H    LYS  11           H        LYS  11  -1.101   2.405  -2.768
   92    HA   LYS  11           HA       LYS  11   0.353  -0.098  -2.553
   93    HB2  LYS  11           2HB      LYS  11   0.665   0.865  -0.202
   94    HB3  LYS  11           1HB      LYS  11   1.535   1.547  -1.568
   95    HG2  LYS  11           2HG      LYS  11   0.533   3.528  -1.362
   96    HG3  LYS  11           1HG      LYS  11  -1.047   2.782  -1.133
   97    HD2  LYS  11           2HD      LYS  11   1.071   3.126   0.972
   98    HD3  LYS  11           1HD      LYS  11  -0.431   4.047   0.830
   99    HE2  LYS  11           2HE      LYS  11  -1.539   1.694   0.877
  100    HE3  LYS  11           1HE      LYS  11  -0.022   1.196   1.612
  101    HZ1  LYS  11           3HZ      LYS  11  -2.010   3.126   2.645
  102    HZ2  LYS  11           1HZ      LYS  11  -0.419   3.107   3.222
  103    HZ3  LYS  11           2HZ      LYS  11  -1.399   1.740   3.398
  104    H    LEU  12           H        LEU  12  -2.505   1.428  -1.474
  105    HA   LEU  12           HA       LEU  12  -2.976  -0.824   0.279
  106    HB2  LEU  12           2HB      LEU  12  -3.644   0.637   1.746
  107    HB3  LEU  12           1HB      LEU  12  -3.268   1.897   0.630
  108    HG   LEU  12           HG       LEU  12  -5.382   2.413   1.231
  109   HD11  LEU  12          1HD1      LEU  12  -6.384   0.665  -0.871
  110   HD12  LEU  12          2HD1      LEU  12  -4.986   1.651  -1.286
  111   HD13  LEU  12          3HD1      LEU  12  -6.455   2.411  -0.716
  112   HD21  LEU  12          3HD2      LEU  12  -7.161   0.814   1.629
  113   HD22  LEU  12          1HD2      LEU  12  -5.748   0.452   2.611
  114   HD23  LEU  12          2HD2      LEU  12  -6.087  -0.494   1.160
  115    H    ALA  13           H        ALA  13  -3.956   0.433  -2.705
  116    HA   ALA  13           HA       ALA  13  -6.461  -1.125  -2.575
  117    HB1  ALA  13           1HB      ALA  13  -6.952  -0.421  -4.818
  118    HB2  ALA  13           2HB      ALA  13  -5.357   0.294  -4.993
  119    HB3  ALA  13           3HB      ALA  13  -6.514   0.981  -3.859
  120    H    ARG  14           H        ARG  14  -3.190  -1.403  -3.165
  121    HA   ARG  14           HA       ARG  14  -3.343  -3.650  -5.017
  122    HB2  ARG  14           2HB      ARG  14  -0.940  -3.879  -4.371
  123    HB3  ARG  14           1HB      ARG  14  -1.337  -2.253  -4.932
  124    HG2  ARG  14           2HG      ARG  14  -0.849  -1.353  -2.963
  125    HG3  ARG  14           1HG      ARG  14  -1.779  -2.549  -2.082
  126    HD2  ARG  14           2HD      ARG  14   0.814  -2.306  -1.783
  127    HD3  ARG  14           1HD      ARG  14  -0.005  -3.863  -1.701
  128    HE   ARG  14           HE       ARG  14   1.381  -4.487  -3.393
  129   HH11  ARG  14          1HH1      ARG  14   0.684  -1.084  -3.892
  130   HH12  ARG  14          2HH1      ARG  14   1.523  -1.011  -5.400
  131   HH21  ARG  14          1HH2      ARG  14   2.496  -4.365  -5.360
  132   HH22  ARG  14          2HH2      ARG  14   2.561  -2.864  -6.223
  133    H    PHE  15           H        PHE  15  -3.674  -2.928  -1.702
  134    HA   PHE  15           HA       PHE  15  -3.406  -5.769  -0.987
  135    HB2  PHE  15           2HB      PHE  15  -2.650  -5.091   1.137
  136    HB3  PHE  15           1HB      PHE  15  -1.803  -4.087  -0.021
  137    HD1  PHE  15           1HD      PHE  15  -5.240  -3.574   1.306
  138    HD2  PHE  15           2HD      PHE  15  -1.197  -2.282   1.201
  139    HE1  PHE  15           1HE      PHE  15  -5.837  -1.666   2.607
  140    HE2  PHE  15           2HE      PHE  15  -1.786  -0.346   2.513
  141    HZ   PHE  15           HZ       PHE  15  -4.116  -0.032   3.285
  142    H    GLN  16           H        GLN  16  -5.568  -3.266  -1.410
  143    HA   GLN  16           HA       GLN  16  -7.447  -3.608   0.602
  144    HB2  GLN  16           2HB      GLN  16  -8.877  -2.358  -0.738
  145    HB3  GLN  16           1HB      GLN  16  -7.283  -1.870  -1.280
  146    HG2  GLN  16           2HG      GLN  16  -7.979  -2.286  -3.339
  147    HG3  GLN  16           1HG      GLN  16  -7.900  -3.998  -2.925
  148   HE21  GLN  16          1HE2      GLN  16  -9.736  -2.098  -4.555
  149   HE22  GLN  16          2HE2      GLN  16 -11.320  -2.632  -4.118
  150    H    ARG  17           H        ARG  17  -6.394  -5.930  -1.476
  151    HA   ARG  17           HA       ARG  17  -8.480  -7.340  -2.478
  152    HB2  ARG  17           2HB      ARG  17  -6.943  -9.369  -1.627
  153    HB3  ARG  17           1HB      ARG  17  -6.534  -8.375  -3.017
  154    HG2  ARG  17           2HG      ARG  17  -4.798  -7.352  -1.950
  155    HG3  ARG  17           1HG      ARG  17  -5.571  -7.453  -0.370
  156    HD2  ARG  17           2HD      ARG  17  -3.518  -8.895  -0.744
  157    HD3  ARG  17           1HD      ARG  17  -4.945  -9.685  -0.074
  158    HE   ARG  17           HE       ARG  17  -4.731  -9.854  -2.943
  159   HH11  ARG  17          1HH1      ARG  17  -3.881 -11.339   0.100
  160   HH12  ARG  17          2HH1      ARG  17  -3.660 -12.913  -0.588
  161   HH21  ARG  17          1HH2      ARG  17  -4.440 -11.924  -3.848
  162   HH22  ARG  17          2HH2      ARG  17  -3.976 -13.245  -2.829
  163    H    SER  18           H        SER  18  -7.093  -7.755   0.716
  164    HA   SER  18           HA       SER  18  -9.645  -8.927   1.620
  165    HB2  SER  18           2HB      SER  18  -6.987  -9.450   2.919
  166    HB3  SER  18           1HB      SER  18  -8.494 -10.347   3.103
  167    HG   SER  18           HG       SER  18  -8.213 -11.250   1.134
  168    H    SER  19           H        SER  19  -7.820  -6.216   1.795
  169    HA   SER  19           HA       SER  19  -7.648  -5.535   4.483
  170    HB2  SER  19           2HB      SER  19  -6.903  -4.261   2.328
  171    HB3  SER  19           1HB      SER  19  -8.485  -3.492   2.459
  172    HG   SER  19           HG       SER  19  -7.847  -2.978   4.673
  173    H    ALA  20           H        ALA  20 -10.422  -6.204   2.711
  174    HA   ALA  20           HA       ALA  20 -12.392  -4.499   3.484
  175    HB1  ALA  20           1HB      ALA  20 -13.032  -7.373   3.768
  176    HB2  ALA  20           2HB      ALA  20 -12.397  -6.835   2.213
  177    HB3  ALA  20           3HB      ALA  20 -13.867  -6.110   2.865
  178    H    LYS  21           H        LYS  21 -10.753  -6.820   5.449
  179    HA   LYS  21           HA       LYS  21 -12.181  -5.823   7.801
  180    HB2  LYS  21           2HB      LYS  21 -11.143  -8.627   7.509
  181    HB3  LYS  21           1HB      LYS  21 -12.109  -7.973   8.823
  182    HG2  LYS  21           2HG      LYS  21 -13.728  -7.512   6.689
  183    HG3  LYS  21           1HG      LYS  21 -12.935  -9.016   6.213
  184    HD2  LYS  21           2HD      LYS  21 -13.522  -9.668   8.719
  185    HD3  LYS  21           1HD      LYS  21 -14.792  -8.469   8.467
  186    HE2  LYS  21           2HE      LYS  21 -15.900 -10.302   7.708
  187    HE3  LYS  21           1HE      LYS  21 -15.091  -9.843   6.209
  188    HZ1  LYS  21           3HZ      LYS  21 -13.306 -11.419   6.793
  189    HZ2  LYS  21           1HZ      LYS  21 -14.805 -12.176   6.580
  190    HZ3  LYS  21           2HZ      LYS  21 -14.202 -11.917   8.138
  191    H    LYS  22           H        LYS  22 -10.333  -4.419   7.458
  192    HA   LYS  22           HA       LYS  22  -7.950  -5.414   8.871
  193    HB2  LYS  22           2HB      LYS  22  -7.759  -4.711   6.366
  194    HB3  LYS  22           1HB      LYS  22  -7.825  -3.073   7.002
  195    HG2  LYS  22           2HG      LYS  22  -5.927  -4.094   8.597
  196    HG3  LYS  22           1HG      LYS  22  -5.678  -5.085   7.158
  197    HD2  LYS  22           2HD      LYS  22  -5.751  -2.830   5.888
  198    HD3  LYS  22           1HD      LYS  22  -5.451  -2.113   7.473
  199    HE2  LYS  22           2HE      LYS  22  -3.736  -4.219   6.161
  200    HE3  LYS  22           1HE      LYS  22  -3.379  -2.492   6.188
  201    HZ1  LYS  22           3HZ      LYS  22  -2.150  -3.406   7.935
  202    HZ2  LYS  22           1HZ      LYS  22  -3.425  -4.386   8.459
  203    HZ3  LYS  22           2HZ      LYS  22  -3.493  -2.713   8.695
  204    H    LYS  23           H        LYS  23 -10.519  -3.988   9.725
  205    HA   LYS  23           HA       LYS  23  -9.173  -1.961  11.352
  206    HB2  LYS  23           2HB      LYS  23 -11.931  -1.447  10.274
  207    HB3  LYS  23           1HB      LYS  23 -10.788  -0.303  10.963
  208    HG2  LYS  23           2HG      LYS  23 -10.406  -1.701   8.325
  209    HG3  LYS  23           1HG      LYS  23 -11.090  -0.085   8.513
  210    HD2  LYS  23           2HD      LYS  23  -8.494  -0.587   9.837
  211    HD3  LYS  23           1HD      LYS  23  -8.483  -0.539   8.073
  212    HE2  LYS  23           2HE      LYS  23  -9.935   1.637   8.498
  213    HE3  LYS  23           1HE      LYS  23  -9.075   1.613  10.036
  214    HZ1  LYS  23           3HZ      LYS  23  -7.909   2.936   8.385
  215    HZ2  LYS  23           1HZ      LYS  23  -7.805   1.600   7.351
  216    HZ3  LYS  23           2HZ      LYS  23  -6.985   1.591   8.830
  217    H    ARG  24           H        ARG  24  -9.471  -4.269  12.434
  218    HA   ARG  24           HA       ARG  24 -10.353  -5.435  14.177
  219    HB2  ARG  24           2HB      ARG  24 -11.220  -2.649  14.636
  220    HB3  ARG  24           1HB      ARG  24 -12.133  -3.875  15.505
  221    HG2  ARG  24           2HG      ARG  24  -9.719  -4.747  16.111
  222    HG3  ARG  24           1HG      ARG  24  -9.293  -3.065  15.787
  223    HD2  ARG  24           2HD      ARG  24  -9.764  -3.302  18.128
  224    HD3  ARG  24           1HD      ARG  24 -11.058  -2.365  17.385
  225    HE   ARG  24           HE       ARG  24 -11.240  -5.097  18.411
  226   HH11  ARG  24          1HH1      ARG  24 -12.811  -2.375  16.874
  227   HH12  ARG  24          2HH1      ARG  24 -14.407  -2.962  17.196
  228   HH21  ARG  24          1HH2      ARG  24 -13.339  -5.862  18.825
  229   HH22  ARG  24          2HH2      ARG  24 -14.708  -4.938  18.300
  Start of MODEL   10
    1    H2   PRO   1           1HT      PRO   1  -9.883  15.670  -6.186
    2    H3   PRO   1           2HT      PRO   1 -11.267  15.795  -7.067
    3    HA   PRO   1           HA       PRO   1 -11.134  13.796  -7.475
    4    HB2  PRO   1           2HB      PRO   1  -8.662  13.709  -8.994
    5    HB3  PRO   1           1HB      PRO   1 -10.329  13.567  -9.565
    6    HG2  PRO   1           2HG      PRO   1  -8.765  15.735 -10.074
    7    HG3  PRO   1           1HG      PRO   1 -10.531  15.816  -9.941
    8    HD2  PRO   1           2HD      PRO   1  -8.443  16.511  -7.896
    9    HD3  PRO   1           1HD      PRO   1  -9.920  17.392  -8.333
   10    H    LEU   2           H        LEU   2  -7.689  14.666  -7.079
   11    HA   LEU   2           HA       LEU   2  -7.294  12.227  -5.533
   12    HB2  LEU   2           2HB      LEU   2  -5.124  12.277  -6.086
   13    HB3  LEU   2           1HB      LEU   2  -5.773  13.180  -7.435
   14    HG   LEU   2           HG       LEU   2  -3.972  14.489  -6.924
   15   HD11  LEU   2          1HD1      LEU   2  -4.834  16.464  -6.335
   16   HD12  LEU   2          2HD1      LEU   2  -5.377  15.871  -4.766
   17   HD13  LEU   2          3HD1      LEU   2  -6.359  15.592  -6.202
   18   HD21  LEU   2          3HD2      LEU   2  -3.934  14.680  -4.065
   19   HD22  LEU   2          1HD2      LEU   2  -2.701  14.056  -5.162
   20   HD23  LEU   2          2HD2      LEU   2  -3.963  12.985  -4.553
   21    H    SER   3           H        SER   3  -8.641  14.739  -4.579
   22    HA   SER   3           HA       SER   3  -6.955  15.757  -2.476
   23    HB2  SER   3           2HB      SER   3  -9.476  16.463  -3.622
   24    HB3  SER   3           1HB      SER   3  -9.725  16.195  -1.897
   25    HG   SER   3           HG       SER   3  -8.035  17.678  -1.500
   26    H    ARG   4           H        ARG   4  -7.786  12.894  -2.991
   27    HA   ARG   4           HA       ARG   4  -8.838  12.150  -0.376
   28    HB2  ARG   4           2HB      ARG   4  -9.891  10.421  -1.460
   29    HB3  ARG   4           1HB      ARG   4  -9.827  11.598  -2.761
   30    HG2  ARG   4           2HG      ARG   4  -7.511  10.353  -3.231
   31    HG3  ARG   4           1HG      ARG   4  -8.384   9.020  -2.473
   32    HD2  ARG   4           2HD      ARG   4  -9.727  10.644  -4.584
   33    HD3  ARG   4           1HD      ARG   4  -8.526   9.448  -5.058
   34    HE   ARG   4           HE       ARG   4  -9.938   7.743  -4.295
   35   HH11  ARG   4          1HH1      ARG   4 -11.359  10.900  -3.801
   36   HH12  ARG   4          2HH1      ARG   4 -12.951  10.276  -3.539
   37   HH21  ARG   4          1HH2      ARG   4 -12.033   6.930  -3.946
   38   HH22  ARG   4          2HH2      ARG   4 -13.335   8.026  -3.621
   39    H    GLY   5           H        GLY   5  -6.302  11.712  -2.700
   40    HA2  GLY   5           2HA      GLY   5  -4.097  11.043  -2.302
   41    HA3  GLY   5           1HA      GLY   5  -4.566  10.556  -0.675
   42    H    LYS   6           H        LYS   6  -5.930   9.664  -3.834
   43    HA   LYS   6           HA       LYS   6  -6.282   6.973  -3.143
   44    HB2  LYS   6           2HB      LYS   6  -6.495   6.559  -5.574
   45    HB3  LYS   6           1HB      LYS   6  -7.568   7.778  -4.907
   46    HG2  LYS   6           2HG      LYS   6  -5.645   9.406  -5.704
   47    HG3  LYS   6           1HG      LYS   6  -5.303   8.072  -6.807
   48    HD2  LYS   6           2HD      LYS   6  -7.985   8.261  -7.081
   49    HD3  LYS   6           1HD      LYS   6  -7.579   9.944  -6.740
   50    HE2  LYS   6           2HE      LYS   6  -5.859   9.811  -8.549
   51    HE3  LYS   6           1HE      LYS   6  -6.480   8.209  -8.947
   52    HZ1  LYS   6           3HZ      LYS   6  -8.550   9.116  -9.574
   53    HZ2  LYS   6           1HZ      LYS   6  -7.380  10.097 -10.304
   54    HZ3  LYS   6           2HZ      LYS   6  -8.187  10.632  -8.916
   55    H    LYS   7           H        LYS   7  -3.486   8.637  -3.888
   56    HA   LYS   7           HA       LYS   7  -1.895   6.754  -5.192
   57    HB2  LYS   7           2HB      LYS   7  -0.326   7.862  -3.093
   58    HB3  LYS   7           1HB      LYS   7  -0.310   8.291  -4.794
   59    HG2  LYS   7           2HG      LYS   7  -0.715  10.317  -3.819
   60    HG3  LYS   7           1HG      LYS   7  -2.359   9.772  -4.135
   61    HD2  LYS   7           2HD      LYS   7  -2.188  10.676  -1.889
   62    HD3  LYS   7           1HD      LYS   7  -2.504   8.942  -1.826
   63    HE2  LYS   7           2HE      LYS   7  -0.694   8.652  -0.586
   64    HE3  LYS   7           1HE      LYS   7   0.303   9.307  -1.884
   65    HZ1  LYS   7           3HZ      LYS   7  -1.119  11.075   0.011
   66    HZ2  LYS   7           1HZ      LYS   7   0.202  11.439  -0.983
   67    HZ3  LYS   7           2HZ      LYS   7   0.409  10.446   0.371
   68    H    TRP   8           H        TRP   8  -3.345   6.827  -2.192
   69    HA   TRP   8           HA       TRP   8  -1.774   4.848  -0.832
   70    HB2  TRP   8           2HB      TRP   8  -3.169   5.117   0.982
   71    HB3  TRP   8           1HB      TRP   8  -3.419   6.664   0.182
   72    HD1  TRP   8           HD       TRP   8  -5.594   6.446  -1.688
   73    HE1  TRP   8           1HE      TRP   8  -7.959   5.626  -1.181
   74    HE3  TRP   8           3HE      TRP   8  -4.532   3.579   2.366
   75    HZ2  TRP   8           2HZ      TRP   8  -9.218   3.968   0.741
   76    HZ3  TRP   8           3HZ      TRP   8  -6.364   2.415   3.503
   77    HH2  TRP   8           HH       TRP   8  -8.651   2.585   2.690
   78    H    THR   9           H        THR   9  -4.762   5.005  -2.602
   79    HA   THR   9           HA       THR   9  -5.757   2.467  -2.236
   80    HB   THR   9           HB       THR   9  -6.322   4.647  -3.916
   81    HG1  THR   9           1HG      THR   9  -8.278   3.750  -3.920
   82   HG21  THR   9          3HG2      THR   9  -5.118   3.561  -5.735
   83   HG22  THR   9          1HG2      THR   9  -6.853   3.634  -6.047
   84   HG23  THR   9          2HG2      THR   9  -6.114   2.120  -5.527
   85    H    GLU  10           H        GLU  10  -3.131   3.662  -4.025
   86    HA   GLU  10           HA       GLU  10  -2.526   1.597  -5.765
   87    HB2  GLU  10           2HB      GLU  10  -0.797   3.014  -6.096
   88    HB3  GLU  10           1HB      GLU  10  -1.374   3.952  -4.737
   89    HG2  GLU  10           2HG      GLU  10   0.820   3.576  -4.175
   90    HG3  GLU  10           1HG      GLU  10  -0.010   2.301  -3.297
   91    H    LYS  11           H        LYS  11  -2.013   1.992  -2.355
   92    HA   LYS  11           HA       LYS  11  -0.498  -0.370  -1.935
   93    HB2  LYS  11           2HB      LYS  11  -2.133   1.207  -0.004
   94    HB3  LYS  11           1HB      LYS  11  -0.826   0.093   0.386
   95    HG2  LYS  11           2HG      LYS  11   0.795   1.516  -0.469
   96    HG3  LYS  11           1HG      LYS  11  -0.395   2.481  -1.343
   97    HD2  LYS  11           2HD      LYS  11   0.675   2.999   1.200
   98    HD3  LYS  11           1HD      LYS  11  -0.651   3.845   0.403
   99    HE2  LYS  11           2HE      LYS  11  -2.276   2.430   1.425
  100    HE3  LYS  11           1HE      LYS  11  -1.033   1.331   2.021
  101    HZ1  LYS  11           3HZ      LYS  11  -2.132   3.253   3.499
  102    HZ2  LYS  11           1HZ      LYS  11  -0.794   4.092   2.894
  103    HZ3  LYS  11           2HZ      LYS  11  -0.571   2.659   3.763
  104    H    LEU  12           H        LEU  12  -3.841   0.445  -2.008
  105    HA   LEU  12           HA       LEU  12  -4.508  -2.132  -0.865
  106    HB2  LEU  12           2HB      LEU  12  -6.850  -0.870  -1.666
  107    HB3  LEU  12           1HB      LEU  12  -6.287  -1.284  -0.076
  108    HG   LEU  12           HG       LEU  12  -6.487   1.311  -1.363
  109   HD11  LEU  12          1HD1      LEU  12  -7.635   1.499   0.484
  110   HD12  LEU  12          2HD1      LEU  12  -6.142   1.349   1.405
  111   HD13  LEU  12          3HD1      LEU  12  -7.087  -0.083   1.024
  112   HD21  LEU  12          3HD2      LEU  12  -3.949   0.414  -0.097
  113   HD22  LEU  12          1HD2      LEU  12  -4.545   2.015   0.295
  114   HD23  LEU  12          2HD2      LEU  12  -4.216   1.581  -1.374
  115    H    ALA  13           H        ALA  13  -4.379  -0.303  -3.707
  116    HA   ALA  13           HA       ALA  13  -5.830  -2.067  -5.388
  117    HB1  ALA  13           1HB      ALA  13  -3.559  -0.145  -5.899
  118    HB2  ALA  13           2HB      ALA  13  -5.251   0.026  -6.364
  119    HB3  ALA  13           3HB      ALA  13  -4.228  -1.160  -7.177
  120    H    ARG  14           H        ARG  14  -3.018  -2.179  -3.461
  121    HA   ARG  14           HA       ARG  14  -2.112  -4.634  -4.866
  122    HB2  ARG  14           2HB      ARG  14   0.057  -4.217  -3.835
  123    HB3  ARG  14           1HB      ARG  14  -0.456  -2.814  -4.775
  124    HG2  ARG  14           2HG      ARG  14  -0.351  -1.529  -2.977
  125    HG3  ARG  14           1HG      ARG  14  -1.474  -2.586  -2.142
  126    HD2  ARG  14           2HD      ARG  14   0.700  -2.241  -1.002
  127    HD3  ARG  14           1HD      ARG  14   0.222  -3.915  -1.278
  128    HE   ARG  14           HE       ARG  14   2.170  -4.164  -2.426
  129   HH11  ARG  14          1HH1      ARG  14   1.234  -0.801  -2.707
  130   HH12  ARG  14          2HH1      ARG  14   2.598  -0.380  -3.683
  131   HH21  ARG  14          1HH2      ARG  14   3.963  -3.594  -3.696
  132   HH22  ARG  14          2HH2      ARG  14   4.148  -1.959  -4.237
  133    H    PHE  15           H        PHE  15  -3.578  -3.387  -1.984
  134    HA   PHE  15           HA       PHE  15  -2.917  -5.939  -0.681
  135    HB2  PHE  15           2HB      PHE  15  -2.893  -4.907   1.472
  136    HB3  PHE  15           1HB      PHE  15  -1.811  -4.038   0.407
  137    HD1  PHE  15           1HD      PHE  15  -5.466  -3.751   1.198
  138    HD2  PHE  15           2HD      PHE  15  -1.655  -1.902   0.916
  139    HE1  PHE  15           1HE      PHE  15  -6.420  -1.670   1.931
  140    HE2  PHE  15           2HE      PHE  15  -2.594   0.182   1.637
  141    HZ   PHE  15           HZ       PHE  15  -4.996   0.334   2.207
  142    H    GLN  16           H        GLN  16  -5.423  -3.551  -1.176
  143    HA   GLN  16           HA       GLN  16  -7.462  -4.816   0.270
  144    HB2  GLN  16           2HB      GLN  16  -7.302  -2.909  -1.991
  145    HB3  GLN  16           1HB      GLN  16  -8.843  -3.717  -1.734
  146    HG2  GLN  16           2HG      GLN  16  -7.481  -2.540   0.600
  147    HG3  GLN  16           1HG      GLN  16  -8.218  -1.444  -0.566
  148   HE21  GLN  16          1HE2      GLN  16 -10.335  -1.066  -0.421
  149   HE22  GLN  16          2HE2      GLN  16 -11.444  -1.945   0.569
  150    H    ARG  17           H        ARG  17  -5.773  -5.826  -2.449
  151    HA   ARG  17           HA       ARG  17  -7.338  -7.148  -4.166
  152    HB2  ARG  17           2HB      ARG  17  -5.429  -9.033  -3.765
  153    HB3  ARG  17           1HB      ARG  17  -5.181  -7.568  -4.705
  154    HG2  ARG  17           2HG      ARG  17  -3.823  -6.630  -3.143
  155    HG3  ARG  17           1HG      ARG  17  -4.683  -7.366  -1.795
  156    HD2  ARG  17           2HD      ARG  17  -2.893  -8.693  -1.652
  157    HD3  ARG  17           1HD      ARG  17  -3.633  -9.554  -2.999
  158    HE   ARG  17           HE       ARG  17  -1.286  -7.866  -3.079
  159   HH11  ARG  17          1HH1      ARG  17  -3.794  -9.448  -4.925
  160   HH12  ARG  17          2HH1      ARG  17  -2.893  -9.420  -6.403
  161   HH21  ARG  17          1HH2      ARG  17  -0.106  -7.826  -5.025
  162   HH22  ARG  17          2HH2      ARG  17  -0.802  -8.498  -6.461
  163    H    SER  18           H        SER  18  -6.214  -8.445  -1.123
  164    HA   SER  18           HA       SER  18  -8.400 -10.423  -1.179
  165    HB2  SER  18           2HB      SER  18  -5.844 -10.580   0.406
  166    HB3  SER  18           1HB      SER  18  -7.062 -11.841   0.225
  167    HG   SER  18           HG       SER  18  -6.402 -12.220  -1.800
  168    H    SER  19           H        SER  19  -7.086  -7.733   0.432
  169    HA   SER  19           HA       SER  19  -7.989  -8.131   3.058
  170    HB2  SER  19           2HB      SER  19  -6.743  -6.079   1.630
  171    HB3  SER  19           1HB      SER  19  -8.250  -5.369   2.205
  172    HG   SER  19           HG       SER  19  -7.598  -6.324   4.314
  173    H    ALA  20           H        ALA  20  -9.755  -7.947   0.243
  174    HA   ALA  20           HA       ALA  20 -12.052  -6.538   1.222
  175    HB1  ALA  20           1HB      ALA  20 -12.169  -8.408  -1.098
  176    HB2  ALA  20           2HB      ALA  20 -11.261  -6.902  -1.227
  177    HB3  ALA  20           3HB      ALA  20 -12.985  -6.863  -0.862
  178    H    LYS  21           H        LYS  21 -11.074  -9.869   0.980
  179    HA   LYS  21           HA       LYS  21 -13.411 -10.629   2.567
  180    HB2  LYS  21           2HB      LYS  21 -12.120 -12.431   0.544
  181    HB3  LYS  21           1HB      LYS  21 -13.625 -12.683   1.416
  182    HG2  LYS  21           2HG      LYS  21 -14.430 -10.561   0.190
  183    HG3  LYS  21           1HG      LYS  21 -13.069 -10.865  -0.892
  184    HD2  LYS  21           2HD      LYS  21 -14.671 -13.246  -0.351
  185    HD3  LYS  21           1HD      LYS  21 -15.586 -11.951  -1.125
  186    HE2  LYS  21           2HE      LYS  21 -12.914 -12.488  -2.249
  187    HE3  LYS  21           1HE      LYS  21 -14.107 -13.767  -2.467
  188    HZ1  LYS  21           3HZ      LYS  21 -14.329 -10.942  -3.342
  189    HZ2  LYS  21           1HZ      LYS  21 -15.618 -12.036  -3.382
  190    HZ3  LYS  21           2HZ      LYS  21 -14.241 -12.317  -4.324
  191    H    LYS  22           H        LYS  22 -11.703 -10.043   4.073
  192    HA   LYS  22           HA       LYS  22  -9.989 -12.345   4.715
  193    HB2  LYS  22           2HB      LYS  22  -8.850 -10.131   4.137
  194    HB3  LYS  22           1HB      LYS  22  -9.482  -9.535   5.666
  195    HG2  LYS  22           2HG      LYS  22  -7.957 -12.079   5.695
  196    HG3  LYS  22           1HG      LYS  22  -7.066 -10.574   5.458
  197    HD2  LYS  22           2HD      LYS  22  -7.526  -9.810   7.559
  198    HD3  LYS  22           1HD      LYS  22  -9.069 -10.660   7.648
  199    HE2  LYS  22           2HE      LYS  22  -7.866 -12.784   7.918
  200    HE3  LYS  22           1HE      LYS  22  -6.333 -11.913   7.863
  201    HZ1  LYS  22           3HZ      LYS  22  -8.265 -12.130  10.017
  202    HZ2  LYS  22           1HZ      LYS  22  -7.587 -10.594   9.803
  203    HZ3  LYS  22           2HZ      LYS  22  -6.587 -11.928  10.082
  204    H    LYS  23           H        LYS  23 -12.413 -10.170   5.835
  205    HA   LYS  23           HA       LYS  23 -12.623 -11.714   8.310
  206    HB2  LYS  23           2HB      LYS  23 -13.248  -9.527   9.472
  207    HB3  LYS  23           1HB      LYS  23 -11.544  -9.778   9.117
  208    HG2  LYS  23           2HG      LYS  23 -12.574  -8.476   6.874
  209    HG3  LYS  23           1HG      LYS  23 -13.305  -7.670   8.263
  210    HD2  LYS  23           2HD      LYS  23 -10.438  -8.230   8.547
  211    HD3  LYS  23           1HD      LYS  23 -10.840  -7.103   7.251
  212    HE2  LYS  23           2HE      LYS  23 -12.406  -6.158   9.244
  213    HE3  LYS  23           1HE      LYS  23 -11.046  -6.789  10.171
  214    HZ1  LYS  23           3HZ      LYS  23 -10.626  -5.027   7.837
  215    HZ2  LYS  23           1HZ      LYS  23  -9.568  -5.357   9.116
  216    HZ3  LYS  23           2HZ      LYS  23 -10.931  -4.388   9.373
  217    H    ARG  24           H        ARG  24 -14.156 -12.443   6.386
  218    HA   ARG  24           HA       ARG  24 -16.312 -12.807   5.750
  219    HB2  ARG  24           2HB      ARG  24 -16.589 -11.557   8.427
  220    HB3  ARG  24           1HB      ARG  24 -18.031 -11.590   7.422
  221    HG2  ARG  24           2HG      ARG  24 -18.227 -13.852   7.530
  222    HG3  ARG  24           1HG      ARG  24 -16.488 -14.106   7.691
  223    HD2  ARG  24           2HD      ARG  24 -18.303 -13.010   9.836
  224    HD3  ARG  24           1HD      ARG  24 -17.712 -14.669   9.750
  225    HE   ARG  24           HE       ARG  24 -15.617 -12.705   9.749
  226   HH11  ARG  24          1HH1      ARG  24 -17.743 -14.607  11.759
  227   HH12  ARG  24          2HH1      ARG  24 -16.697 -14.547  13.137
  228   HH21  ARG  24          1HH2      ARG  24 -14.240 -12.625  11.560
  229   HH22  ARG  24          2HH2      ARG  24 -14.709 -13.423  13.025
  Start of MODEL   11
    1    H2   PRO   1           1HT      PRO   1  -2.676  15.572  -2.909
    2    H3   PRO   1           2HT      PRO   1  -1.176  16.224  -3.098
    3    HA   PRO   1           HA       PRO   1  -0.848  15.384  -4.969
    4    HB2  PRO   1           2HB      PRO   1  -2.135  12.869  -5.077
    5    HB3  PRO   1           1HB      PRO   1  -0.404  13.182  -4.891
    6    HG2  PRO   1           2HG      PRO   1  -2.460  12.626  -2.816
    7    HG3  PRO   1           1HG      PRO   1  -0.742  12.191  -2.845
    8    HD2  PRO   1           2HD      PRO   1  -1.613  14.159  -1.275
    9    HD3  PRO   1           1HD      PRO   1  -0.067  14.308  -2.132
   10    H    LEU   2           H        LEU   2  -3.995  14.073  -3.878
   11    HA   LEU   2           HA       LEU   2  -5.253  15.544  -6.093
   12    HB2  LEU   2           2HB      LEU   2  -6.589  13.111  -5.022
   13    HB3  LEU   2           1HB      LEU   2  -6.550  13.737  -6.656
   14    HG   LEU   2           HG       LEU   2  -4.028  12.960  -6.529
   15   HD11  LEU   2          1HD1      LEU   2  -5.415  11.458  -4.340
   16   HD12  LEU   2          2HD1      LEU   2  -3.820  12.208  -4.337
   17   HD13  LEU   2          3HD1      LEU   2  -4.093  10.721  -5.245
   18   HD21  LEU   2          3HD2      LEU   2  -6.539  11.660  -7.288
   19   HD22  LEU   2          1HD2      LEU   2  -5.196  10.546  -7.036
   20   HD23  LEU   2          2HD2      LEU   2  -5.043  11.862  -8.200
   21    H    SER   3           H        SER   3  -7.565  13.977  -4.217
   22    HA   SER   3           HA       SER   3  -7.809  16.182  -2.316
   23    HB2  SER   3           2HB      SER   3  -9.825  15.293  -4.355
   24    HB3  SER   3           1HB      SER   3 -10.386  15.900  -2.796
   25    HG   SER   3           HG       SER   3  -9.710  17.859  -3.296
   26    H    ARG   4           H        ARG   4  -7.842  12.914  -3.075
   27    HA   ARG   4           HA       ARG   4  -9.120  12.191  -0.531
   28    HB2  ARG   4           2HB      ARG   4  -9.952  10.264  -1.546
   29    HB3  ARG   4           1HB      ARG   4 -10.132  11.485  -2.794
   30    HG2  ARG   4           2HG      ARG   4  -7.669  10.511  -3.382
   31    HG3  ARG   4           1HG      ARG   4  -8.459   9.066  -2.751
   32    HD2  ARG   4           2HD      ARG   4  -9.776  10.834  -4.790
   33    HD3  ARG   4           1HD      ARG   4  -8.646   9.565  -5.263
   34    HE   ARG   4           HE       ARG   4 -10.378   8.230  -3.704
   35   HH11  ARG   4          1HH1      ARG   4 -10.862  10.425  -6.376
   36   HH12  ARG   4          2HH1      ARG   4 -12.347   9.688  -6.874
   37   HH21  ARG   4          1HH2      ARG   4 -12.330   7.260  -4.361
   38   HH22  ARG   4          2HH2      ARG   4 -13.179   7.890  -5.733
   39    H    GLY   5           H        GLY   5  -6.483  11.706  -2.712
   40    HA2  GLY   5           2HA      GLY   5  -4.286  11.088  -2.185
   41    HA3  GLY   5           1HA      GLY   5  -4.836  10.608  -0.580
   42    H    LYS   6           H        LYS   6  -6.116   9.699  -3.755
   43    HA   LYS   6           HA       LYS   6  -6.412   7.000  -3.042
   44    HB2  LYS   6           2HB      LYS   6  -6.800   6.561  -5.401
   45    HB3  LYS   6           1HB      LYS   6  -7.761   7.884  -4.762
   46    HG2  LYS   6           2HG      LYS   6  -6.949   9.305  -6.272
   47    HG3  LYS   6           1HG      LYS   6  -5.286   8.849  -5.892
   48    HD2  LYS   6           2HD      LYS   6  -5.510   6.882  -7.350
   49    HD3  LYS   6           1HD      LYS   6  -7.157   7.373  -7.746
   50    HE2  LYS   6           2HE      LYS   6  -4.735   9.092  -8.248
   51    HE3  LYS   6           1HE      LYS   6  -5.412   7.989  -9.445
   52    HZ1  LYS   6           3HZ      LYS   6  -7.268   9.271  -9.716
   53    HZ2  LYS   6           1HZ      LYS   6  -6.128  10.477  -9.387
   54    HZ3  LYS   6           2HZ      LYS   6  -7.181   9.955  -8.171
   55    H    LYS   7           H        LYS   7  -3.657   8.708  -3.885
   56    HA   LYS   7           HA       LYS   7  -2.107   6.833  -5.243
   57    HB2  LYS   7           2HB      LYS   7  -0.378   7.882  -3.320
   58    HB3  LYS   7           1HB      LYS   7  -0.620   8.490  -4.948
   59    HG2  LYS   7           2HG      LYS   7  -0.828  10.344  -3.539
   60    HG3  LYS   7           1HG      LYS   7  -2.479   9.917  -3.978
   61    HD2  LYS   7           2HD      LYS   7  -2.390  10.392  -1.618
   62    HD3  LYS   7           1HD      LYS   7  -2.665   8.666  -1.847
   63    HE2  LYS   7           2HE      LYS   7  -0.826   8.163  -0.717
   64    HE3  LYS   7           1HE      LYS   7   0.148   9.200  -1.758
   65    HZ1  LYS   7           3HZ      LYS   7  -1.063   9.784   0.840
   66    HZ2  LYS   7           1HZ      LYS   7  -0.943  11.054  -0.272
   67    HZ3  LYS   7           2HZ      LYS   7   0.450  10.233   0.230
   68    H    TRP   8           H        TRP   8  -3.465   6.895  -2.199
   69    HA   TRP   8           HA       TRP   8  -1.831   4.925  -0.895
   70    HB2  TRP   8           2HB      TRP   8  -3.167   5.178   0.965
   71    HB3  TRP   8           1HB      TRP   8  -3.459   6.724   0.178
   72    HD1  TRP   8           HD       TRP   8  -5.698   6.472  -1.628
   73    HE1  TRP   8           1HE      TRP   8  -8.036   5.634  -1.029
   74    HE3  TRP   8           3HE      TRP   8  -4.467   3.646   2.411
   75    HZ2  TRP   8           2HZ      TRP   8  -9.209   3.978   0.946
   76    HZ3  TRP   8           3HZ      TRP   8  -6.247   2.475   3.619
   77    HH2  TRP   8           HH       TRP   8  -8.561   2.616   2.884
   78    H    THR   9           H        THR   9  -4.873   5.060  -2.571
   79    HA   THR   9           HA       THR   9  -5.836   2.514  -2.182
   80    HB   THR   9           HB       THR   9  -6.457   4.694  -3.848
   81    HG1  THR   9           1HG      THR   9  -7.725   2.206  -3.403
   82   HG21  THR   9          3HG2      THR   9  -5.318   3.610  -5.701
   83   HG22  THR   9          1HG2      THR   9  -7.062   3.655  -5.953
   84   HG23  THR   9          2HG2      THR   9  -6.282   2.156  -5.447
   85    H    GLU  10           H        GLU  10  -3.274   3.730  -4.045
   86    HA   GLU  10           HA       GLU  10  -2.703   1.675  -5.808
   87    HB2  GLU  10           2HB      GLU  10  -1.027   3.149  -6.182
   88    HB3  GLU  10           1HB      GLU  10  -1.519   4.024  -4.750
   89    HG2  GLU  10           2HG      GLU  10   0.709   3.619  -4.351
   90    HG3  GLU  10           1HG      GLU  10  -0.079   2.325  -3.461
   91    H    LYS  11           H        LYS  11  -2.084   2.069  -2.415
   92    HA   LYS  11           HA       LYS  11  -0.554  -0.294  -2.054
   93    HB2  LYS  11           2HB      LYS  11  -2.098   1.321  -0.073
   94    HB3  LYS  11           1HB      LYS  11  -0.815   0.171   0.290
   95    HG2  LYS  11           2HG      LYS  11   0.828   1.533  -0.602
   96    HG3  LYS  11           1HG      LYS  11  -0.342   2.506  -1.494
   97    HD2  LYS  11           2HD      LYS  11   0.782   3.103   0.992
   98    HD3  LYS  11           1HD      LYS  11  -0.570   3.925   0.216
   99    HE2  LYS  11           2HE      LYS  11  -2.160   2.573   1.354
  100    HE3  LYS  11           1HE      LYS  11  -0.910   1.466   1.923
  101    HZ1  LYS  11           3HZ      LYS  11  -0.357   2.823   3.614
  102    HZ2  LYS  11           1HZ      LYS  11  -1.913   3.450   3.394
  103    HZ3  LYS  11           2HZ      LYS  11  -0.580   4.240   2.718
  104    H    LEU  12           H        LEU  12  -3.900   0.520  -2.002
  105    HA   LEU  12           HA       LEU  12  -4.523  -2.066  -0.851
  106    HB2  LEU  12           2HB      LEU  12  -6.900  -0.794  -1.571
  107    HB3  LEU  12           1HB      LEU  12  -6.304  -1.238   0.000
  108    HG   LEU  12           HG       LEU  12  -6.540   1.375  -1.249
  109   HD11  LEU  12          1HD1      LEU  12  -7.045  -0.037   1.148
  110   HD12  LEU  12          2HD1      LEU  12  -7.607   1.552   0.642
  111   HD13  LEU  12          3HD1      LEU  12  -6.082   1.389   1.504
  112   HD21  LEU  12          3HD2      LEU  12  -4.272   1.644  -1.359
  113   HD22  LEU  12          1HD2      LEU  12  -3.950   0.476  -0.095
  114   HD23  LEU  12          2HD2      LEU  12  -4.531   2.076   0.322
  115    H    ALA  13           H        ALA  13  -4.433  -0.242  -3.692
  116    HA   ALA  13           HA       ALA  13  -5.932  -1.982  -5.352
  117    HB1  ALA  13           1HB      ALA  13  -5.010   0.328  -5.989
  118    HB2  ALA  13           2HB      ALA  13  -4.851  -0.944  -7.200
  119    HB3  ALA  13           3HB      ALA  13  -3.461  -0.481  -6.218
  120    H    ARG  14           H        ARG  14  -3.070  -2.128  -3.504
  121    HA   ARG  14           HA       ARG  14  -2.236  -4.617  -4.906
  122    HB2  ARG  14           2HB      ARG  14  -0.037  -4.216  -3.890
  123    HB3  ARG  14           1HB      ARG  14  -0.539  -2.837  -4.872
  124    HG2  ARG  14           2HG      ARG  14  -0.478  -1.482  -3.114
  125    HG3  ARG  14           1HG      ARG  14  -1.511  -2.564  -2.200
  126    HD2  ARG  14           2HD      ARG  14   0.723  -2.074  -1.202
  127    HD3  ARG  14           1HD      ARG  14   0.270  -3.770  -1.355
  128    HE   ARG  14           HE       ARG  14   2.144  -4.047  -2.617
  129   HH11  ARG  14          1HH1      ARG  14   1.134  -0.714  -2.969
  130   HH12  ARG  14          2HH1      ARG  14   2.431  -0.308  -4.039
  131   HH21  ARG  14          1HH2      ARG  14   3.850  -3.501  -4.013
  132   HH22  ARG  14          2HH2      ARG  14   3.974  -1.886  -4.627
  133    H    PHE  15           H        PHE  15  -3.528  -3.271  -1.999
  134    HA   PHE  15           HA       PHE  15  -2.971  -5.820  -0.633
  135    HB2  PHE  15           2HB      PHE  15  -2.714  -4.737   1.450
  136    HB3  PHE  15           1HB      PHE  15  -1.743  -3.853   0.292
  137    HD1  PHE  15           2HD      PHE  15  -5.351  -3.618   1.304
  138    HD2  PHE  15           1HD      PHE  15  -1.581  -1.720   0.847
  139    HE1  PHE  15           2HE      PHE  15  -6.304  -1.552   2.058
  140    HE2  PHE  15           1HE      PHE  15  -2.515   0.349   1.611
  141    HZ   PHE  15           HZ       PHE  15  -4.893   0.473   2.276
  142    H    GLN  16           H        GLN  16  -5.381  -3.420  -1.288
  143    HA   GLN  16           HA       GLN  16  -7.436  -4.010   0.374
  144    HB2  GLN  16           2HB      GLN  16  -8.788  -2.975  -1.162
  145    HB3  GLN  16           1HB      GLN  16  -7.220  -2.485  -1.759
  146    HG2  GLN  16           2HG      GLN  16  -8.067  -3.157  -3.719
  147    HG3  GLN  16           1HG      GLN  16  -7.505  -4.732  -3.160
  148   HE21  GLN  16          1HE2      GLN  16  -8.923  -6.307  -3.286
  149   HE22  GLN  16          2HE2      GLN  16 -10.643  -6.139  -3.282
  150    H    ARG  17           H        ARG  17  -6.002  -6.087  -1.910
  151    HA   ARG  17           HA       ARG  17  -7.840  -7.886  -2.719
  152    HB2  ARG  17           2HB      ARG  17  -5.820  -9.558  -2.121
  153    HB3  ARG  17           1HB      ARG  17  -5.807  -8.482  -3.511
  154    HG2  ARG  17           2HG      ARG  17  -4.318  -6.994  -2.510
  155    HG3  ARG  17           1HG      ARG  17  -4.701  -7.559  -0.886
  156    HD2  ARG  17           2HD      ARG  17  -2.566  -8.400  -1.364
  157    HD3  ARG  17           1HD      ARG  17  -3.671  -9.762  -1.542
  158    HE   ARG  17           HE       ARG  17  -3.284  -8.489  -4.033
  159   HH11  ARG  17          1HH1      ARG  17  -1.654 -10.563  -1.747
  160   HH12  ARG  17          2HH1      ARG  17  -0.657 -11.313  -2.947
  161   HH21  ARG  17          1HH2      ARG  17  -1.971  -9.476  -5.614
  162   HH22  ARG  17          2HH2      ARG  17  -0.835 -10.696  -5.142
  163    H    SER  18           H        SER  18  -6.119  -7.976   0.338
  164    HA   SER  18           HA       SER  18  -7.803 -10.137   1.317
  165    HB2  SER  18           2HB      SER  18  -5.686  -8.667   2.863
  166    HB3  SER  18           1HB      SER  18  -6.340 -10.275   3.172
  167    HG   SER  18           HG       SER  18  -4.866  -9.553   0.856
  168    H    SER  19           H        SER  19  -8.243  -6.938   1.069
  169    HA   SER  19           HA       SER  19  -9.010  -6.040   3.597
  170    HB2  SER  19           2HB      SER  19  -8.883  -4.817   1.276
  171    HB3  SER  19           1HB      SER  19 -10.592  -5.239   1.188
  172    HG   SER  19           HG       SER  19  -9.284  -3.682   3.163
  173    H    ALA  20           H        ALA  20 -10.338  -8.526   1.770
  174    HA   ALA  20           HA       ALA  20 -13.078  -8.289   2.372
  175    HB1  ALA  20           1HB      ALA  20 -12.770  -9.813   0.710
  176    HB2  ALA  20           2HB      ALA  20 -12.885 -10.914   2.083
  177    HB3  ALA  20           3HB      ALA  20 -11.305 -10.471   1.439
  178    H    LYS  21           H        LYS  21 -10.418  -9.761   4.088
  179    HA   LYS  21           HA       LYS  21 -12.147 -10.050   6.428
  180    HB2  LYS  21           2HB      LYS  21  -9.854 -11.898   5.901
  181    HB3  LYS  21           1HB      LYS  21 -11.182 -12.086   7.037
  182    HG2  LYS  21           2HG      LYS  21 -12.474 -11.973   4.621
  183    HG3  LYS  21           1HG      LYS  21 -10.994 -12.851   4.232
  184    HD2  LYS  21           2HD      LYS  21 -11.672 -14.682   5.325
  185    HD3  LYS  21           1HD      LYS  21 -12.217 -13.748   6.719
  186    HE2  LYS  21           2HE      LYS  21 -14.280 -13.180   5.511
  187    HE3  LYS  21           1HE      LYS  21 -13.735 -14.148   4.143
  188    HZ1  LYS  21           3HZ      LYS  21 -13.567 -15.998   5.940
  189    HZ2  LYS  21           1HZ      LYS  21 -15.067 -15.623   5.253
  190    HZ3  LYS  21           2HZ      LYS  21 -14.667 -15.029   6.785
  191    H    LYS  22           H        LYS  22 -11.201  -7.894   6.519
  192    HA   LYS  22           HA       LYS  22  -8.459  -7.682   7.393
  193    HB2  LYS  22           2HB      LYS  22  -8.918  -5.269   7.612
  194    HB3  LYS  22           1HB      LYS  22  -9.330  -5.888   6.020
  195    HG2  LYS  22           2HG      LYS  22 -11.718  -6.126   7.077
  196    HG3  LYS  22           1HG      LYS  22 -11.104  -4.907   8.194
  197    HD2  LYS  22           2HD      LYS  22 -10.594  -3.425   6.347
  198    HD3  LYS  22           1HD      LYS  22 -11.088  -4.659   5.187
  199    HE2  LYS  22           2HE      LYS  22 -13.252  -4.146   5.411
  200    HE3  LYS  22           1HE      LYS  22 -13.142  -4.095   7.170
  201    HZ1  LYS  22           3HZ      LYS  22 -12.836  -1.881   7.174
  202    HZ2  LYS  22           1HZ      LYS  22 -13.599  -1.955   5.665
  203    HZ3  LYS  22           2HZ      LYS  22 -11.912  -1.875   5.757
  204    H    LYS  23           H        LYS  23 -11.628  -7.068   8.810
  205    HA   LYS  23           HA       LYS  23 -10.526  -7.740  11.432
  206    HB2  LYS  23           2HB      LYS  23 -11.927  -5.875  12.422
  207    HB3  LYS  23           1HB      LYS  23 -10.496  -5.371  11.534
  208    HG2  LYS  23           2HG      LYS  23 -12.415  -5.352   9.589
  209    HG3  LYS  23           1HG      LYS  23 -13.316  -4.836  11.015
  210    HD2  LYS  23           2HD      LYS  23 -11.149  -3.315  11.334
  211    HD3  LYS  23           1HD      LYS  23 -11.090  -3.497   9.580
  212    HE2  LYS  23           2HE      LYS  23 -13.578  -2.834   9.645
  213    HE3  LYS  23           1HE      LYS  23 -13.233  -2.263  11.277
  214    HZ1  LYS  23           3HZ      LYS  23 -13.028  -0.499   9.626
  215    HZ2  LYS  23           1HZ      LYS  23 -11.823  -1.371   8.819
  216    HZ3  LYS  23           2HZ      LYS  23 -11.548  -0.798  10.387
  217    H    ARG  24           H        ARG  24 -11.774  -9.614  10.211
  218    HA   ARG  24           HA       ARG  24 -13.502 -11.094  10.300
  219    HB2  ARG  24           2HB      ARG  24 -13.953  -9.430  12.745
  220    HB3  ARG  24           1HB      ARG  24 -15.178 -10.599  12.269
  221    HG2  ARG  24           2HG      ARG  24 -13.949 -12.345  12.935
  222    HG3  ARG  24           1HG      ARG  24 -12.452 -11.664  12.295
  223    HD2  ARG  24           2HD      ARG  24 -12.211 -11.797  14.657
  224    HD3  ARG  24           1HD      ARG  24 -12.438 -10.097  14.251
  225    HE   ARG  24           HE       ARG  24 -14.946 -11.126  14.822
  226   HH11  ARG  24          1HH1      ARG  24 -11.922 -10.636  16.494
  227   HH12  ARG  24          2HH1      ARG  24 -12.667 -10.439  18.044
  228   HH21  ARG  24          1HH2      ARG  24 -15.929 -10.866  16.860
  229   HH22  ARG  24          2HH2      ARG  24 -14.943 -10.568  18.252
  Start of MODEL   12
    1    H2   PRO   1           1HT      PRO   1  -2.283  17.205  -5.242
    2    H3   PRO   1           2HT      PRO   1  -0.950  16.267  -5.454
    3    HA   PRO   1           HA       PRO   1  -2.073  14.559  -5.372
    4    HB2  PRO   1           2HB      PRO   1  -3.466  14.365  -3.032
    5    HB3  PRO   1           1HB      PRO   1  -1.733  14.039  -3.173
    6    HG2  PRO   1           2HG      PRO   1  -3.124  16.541  -2.304
    7    HG3  PRO   1           1HG      PRO   1  -1.727  15.729  -1.573
    8    HD2  PRO   1           2HD      PRO   1  -1.412  17.881  -3.139
    9    HD3  PRO   1           1HD      PRO   1  -0.253  16.540  -3.181
   10    H    LEU   2           H        LEU   2  -4.661  14.037  -4.146
   11    HA   LEU   2           HA       LEU   2  -6.331  15.653  -5.933
   12    HB2  LEU   2           2HB      LEU   2  -7.361  13.119  -4.755
   13    HB3  LEU   2           1HB      LEU   2  -7.618  13.796  -6.350
   14    HG   LEU   2           HG       LEU   2  -5.086  13.161  -6.678
   15   HD11  LEU   2          1HD1      LEU   2  -4.139  11.838  -5.159
   16   HD12  LEU   2          2HD1      LEU   2  -5.552  10.787  -5.089
   17   HD13  LEU   2          3HD1      LEU   2  -5.483  12.236  -4.089
   18   HD21  LEU   2          3HD2      LEU   2  -7.480  11.350  -6.762
   19   HD22  LEU   2          1HD2      LEU   2  -5.901  10.839  -7.357
   20   HD23  LEU   2          2HD2      LEU   2  -6.713  12.225  -8.087
   21    H    SER   3           H        SER   3  -8.233  13.909  -3.774
   22    HA   SER   3           HA       SER   3  -8.297  16.055  -1.791
   23    HB2  SER   3           2HB      SER   3 -10.127  16.667  -3.172
   24    HB3  SER   3           1HB      SER   3 -10.621  14.990  -3.397
   25    HG   SER   3           HG       SER   3 -11.489  14.960  -1.413
   26    H    ARG   4           H        ARG   4  -8.238  12.815  -2.631
   27    HA   ARG   4           HA       ARG   4  -9.047  11.947   0.056
   28    HB2  ARG   4           2HB      ARG   4  -9.881   9.980  -0.875
   29    HB3  ARG   4           1HB      ARG   4 -10.334  11.197  -2.057
   30    HG2  ARG   4           2HG      ARG   4  -7.945  10.447  -3.049
   31    HG3  ARG   4           1HG      ARG   4  -8.452   8.935  -2.295
   32    HD2  ARG   4           2HD      ARG   4 -10.567  10.271  -3.805
   33    HD3  ARG   4           1HD      ARG   4  -9.174   9.825  -4.790
   34    HE   ARG   4           HE       ARG   4 -10.104   7.707  -3.084
   35   HH11  ARG   4          1HH1      ARG   4 -10.517   9.277  -6.173
   36   HH12  ARG   4          2HH1      ARG   4 -11.205   7.881  -6.932
   37   HH21  ARG   4          1HH2      ARG   4 -11.010   5.869  -4.081
   38   HH22  ARG   4          2HH2      ARG   4 -11.485   5.947  -5.744
   39    H    GLY   5           H        GLY   5  -6.753  11.718  -2.521
   40    HA2  GLY   5           2HA      GLY   5  -4.457  11.282  -2.364
   41    HA3  GLY   5           1HA      GLY   5  -4.702  10.736  -0.706
   42    H    LYS   6           H        LYS   6  -6.423   9.763  -3.636
   43    HA   LYS   6           HA       LYS   6  -6.492   7.065  -3.007
   44    HB2  LYS   6           2HB      LYS   6  -6.894   6.685  -5.433
   45    HB3  LYS   6           1HB      LYS   6  -7.987   7.789  -4.613
   46    HG2  LYS   6           2HG      LYS   6  -7.330   9.569  -5.840
   47    HG3  LYS   6           1HG      LYS   6  -5.653   9.026  -5.916
   48    HD2  LYS   6           2HD      LYS   6  -7.648   7.407  -7.387
   49    HD3  LYS   6           1HD      LYS   6  -7.289   9.009  -8.036
   50    HE2  LYS   6           2HE      LYS   6  -4.955   8.488  -8.198
   51    HE3  LYS   6           1HE      LYS   6  -5.188   6.961  -7.347
   52    HZ1  LYS   6           3HZ      LYS   6  -6.559   6.200  -9.203
   53    HZ2  LYS   6           1HZ      LYS   6  -4.993   6.592  -9.710
   54    HZ3  LYS   6           2HZ      LYS   6  -6.273   7.652 -10.024
   55    H    LYS   7           H        LYS   7  -3.843   8.867  -4.018
   56    HA   LYS   7           HA       LYS   7  -2.322   7.075  -5.500
   57    HB2  LYS   7           2HB      LYS   7  -0.362   8.107  -4.231
   58    HB3  LYS   7           1HB      LYS   7  -1.397   9.218  -5.116
   59    HG2  LYS   7           2HG      LYS   7  -1.215  10.363  -3.170
   60    HG3  LYS   7           1HG      LYS   7  -2.612   9.365  -2.769
   61    HD2  LYS   7           2HD      LYS   7  -0.968   7.693  -1.810
   62    HD3  LYS   7           1HD      LYS   7   0.256   8.955  -1.966
   63    HE2  LYS   7           2HE      LYS   7  -1.351  10.428  -0.635
   64    HE3  LYS   7           1HE      LYS   7  -2.211   8.937  -0.252
   65    HZ1  LYS   7           3HZ      LYS   7  -0.794   8.828   1.454
   66    HZ2  LYS   7           1HZ      LYS   7   0.294   9.929   0.772
   67    HZ3  LYS   7           2HZ      LYS   7   0.345   8.300   0.320
   68    H    TRP   8           H        TRP   8  -3.451   7.044  -2.354
   69    HA   TRP   8           HA       TRP   8  -1.680   5.092  -1.213
   70    HB2  TRP   8           2HB      TRP   8  -2.865   5.299   0.757
   71    HB3  TRP   8           1HB      TRP   8  -3.208   6.860   0.022
   72    HD1  TRP   8           HD       TRP   8  -5.583   6.615  -1.627
   73    HE1  TRP   8           1HE      TRP   8  -7.872   5.806  -0.839
   74    HE3  TRP   8           3HE      TRP   8  -4.060   3.815   2.327
   75    HZ2  TRP   8           2HZ      TRP   8  -8.901   4.182   1.241
   76    HZ3  TRP   8           3HZ      TRP   8  -5.749   2.671   3.684
   77    HH2  TRP   8           HH       TRP   8  -8.114   2.830   3.134
   78    H    THR   9           H        THR   9  -4.847   5.206  -2.630
   79    HA   THR   9           HA       THR   9  -5.758   2.648  -2.194
   80    HB   THR   9           HB       THR   9  -6.517   4.837  -3.798
   81    HG1  THR   9           1HG      THR   9  -7.788   3.385  -2.413
   82   HG21  THR   9          3HG2      THR   9  -6.429   2.301  -5.408
   83   HG22  THR   9          1HG2      THR   9  -5.524   3.778  -5.738
   84   HG23  THR   9          2HG2      THR   9  -7.284   3.780  -5.847
   85    H    GLU  10           H        GLU  10  -3.342   3.902  -4.231
   86    HA   GLU  10           HA       GLU  10  -2.910   1.870  -6.055
   87    HB2  GLU  10           2HB      GLU  10  -1.116   3.188  -6.532
   88    HB3  GLU  10           1HB      GLU  10  -1.725   4.242  -5.273
   89    HG2  GLU  10           2HG      GLU  10   0.486   3.991  -4.691
   90    HG3  GLU  10           1HG      GLU  10  -0.318   2.808  -3.670
   91    H    LYS  11           H        LYS  11  -2.076   2.178  -2.707
   92    HA   LYS  11           HA       LYS  11  -0.562  -0.241  -2.630
   93    HB2  LYS  11           2HB      LYS  11  -1.760   0.908  -0.194
   94    HB3  LYS  11           1HB      LYS  11  -0.182   0.179  -0.408
   95    HG2  LYS  11           2HG      LYS  11   0.761   2.122  -1.147
   96    HG3  LYS  11           1HG      LYS  11  -0.770   2.783  -1.709
   97    HD2  LYS  11           2HD      LYS  11   0.536   3.112   0.842
   98    HD3  LYS  11           1HD      LYS  11  -0.849   3.974   0.177
   99    HE2  LYS  11           2HE      LYS  11  -2.350   2.216   0.965
  100    HE3  LYS  11           1HE      LYS  11  -0.975   1.288   1.568
  101    HZ1  LYS  11           3HZ      LYS  11  -1.722   4.000   2.527
  102    HZ2  LYS  11           1HZ      LYS  11  -0.511   3.004   3.161
  103    HZ3  LYS  11           2HZ      LYS  11  -2.136   2.558   3.310
  104    H    LEU  12           H        LEU  12  -3.800   0.784  -1.950
  105    HA   LEU  12           HA       LEU  12  -4.456  -1.787  -0.873
  106    HB2  LEU  12           2HB      LEU  12  -6.788  -0.398  -1.643
  107    HB3  LEU  12           1HB      LEU  12  -6.265  -0.999  -0.101
  108    HG   LEU  12           HG       LEU  12  -6.452   1.698  -1.030
  109   HD11  LEU  12          1HD1      LEU  12  -6.835   0.089   1.205
  110   HD12  LEU  12          2HD1      LEU  12  -7.219   1.787   1.003
  111   HD13  LEU  12          3HD1      LEU  12  -5.661   1.313   1.668
  112   HD21  LEU  12          3HD2      LEU  12  -4.308   2.346   0.256
  113   HD22  LEU  12          1HD2      LEU  12  -4.168   1.839  -1.417
  114   HD23  LEU  12          2HD2      LEU  12  -3.764   0.724  -0.127
  115    H    ALA  13           H        ALA  13  -4.410  -0.045  -3.743
  116    HA   ALA  13           HA       ALA  13  -5.904  -1.879  -5.346
  117    HB1  ALA  13           1HB      ALA  13  -5.335   0.355  -6.216
  118    HB2  ALA  13           2HB      ALA  13  -4.637  -0.898  -7.241
  119    HB3  ALA  13           3HB      ALA  13  -3.618  -0.029  -6.095
  120    H    ARG  14           H        ARG  14  -3.137  -1.881  -3.438
  121    HA   ARG  14           HA       ARG  14  -1.902  -4.129  -4.879
  122    HB2  ARG  14           2HB      ARG  14   0.088  -3.501  -4.007
  123    HB3  ARG  14           1HB      ARG  14  -0.715  -1.974  -3.668
  124    HG2  ARG  14           2HG      ARG  14  -1.408  -3.178  -1.432
  125    HG3  ARG  14           1HG      ARG  14  -0.025  -4.197  -1.797
  126    HD2  ARG  14           2HD      ARG  14   0.146  -1.225  -1.805
  127    HD3  ARG  14           1HD      ARG  14   0.327  -2.157  -0.332
  128    HE   ARG  14           HE       ARG  14   2.345  -3.034  -1.163
  129   HH11  ARG  14          1HH1      ARG  14   0.911  -0.779  -3.447
  130   HH12  ARG  14          2HH1      ARG  14   2.391  -0.535  -4.305
  131   HH21  ARG  14          1HH2      ARG  14   4.268  -2.709  -2.320
  132   HH22  ARG  14          2HH2      ARG  14   4.284  -1.635  -3.679
  133    H    PHE  15           H        PHE  15  -3.669  -3.210  -1.979
  134    HA   PHE  15           HA       PHE  15  -3.433  -6.024  -1.152
  135    HB2  PHE  15           2HB      PHE  15  -3.751  -5.204   1.161
  136    HB3  PHE  15           1HB      PHE  15  -2.265  -4.687   0.392
  137    HD1  PHE  15           1HD      PHE  15  -5.678  -3.534   1.272
  138    HD2  PHE  15           2HD      PHE  15  -1.676  -2.498   0.313
  139    HE1  PHE  15           1HE      PHE  15  -6.085  -1.285   1.994
  140    HE2  PHE  15           2HE      PHE  15  -2.073  -0.252   1.017
  141    HZ   PHE  15           HZ       PHE  15  -4.278   0.407   1.904
  142    H    GLN  16           H        GLN  16  -5.594  -3.241  -1.000
  143    HA   GLN  16           HA       GLN  16  -7.877  -4.585  -0.135
  144    HB2  GLN  16           2HB      GLN  16  -7.345  -2.157  -1.766
  145    HB3  GLN  16           1HB      GLN  16  -9.000  -2.726  -1.590
  146    HG2  GLN  16           2HG      GLN  16  -7.277  -2.390   0.806
  147    HG3  GLN  16           1HG      GLN  16  -8.032  -0.983   0.060
  148   HE21  GLN  16          1HE2      GLN  16  -8.551  -3.895   1.856
  149   HE22  GLN  16          2HE2      GLN  16 -10.209  -3.608   2.251
  150    H    ARG  17           H        ARG  17  -6.210  -4.798  -3.082
  151    HA   ARG  17           HA       ARG  17  -7.970  -5.292  -5.059
  152    HB2  ARG  17           2HB      ARG  17  -6.206  -7.273  -5.548
  153    HB3  ARG  17           1HB      ARG  17  -5.875  -5.575  -5.856
  154    HG2  ARG  17           2HG      ARG  17  -4.305  -5.464  -4.254
  155    HG3  ARG  17           1HG      ARG  17  -5.248  -6.431  -3.120
  156    HD2  ARG  17           2HD      ARG  17  -4.641  -8.345  -4.840
  157    HD3  ARG  17           1HD      ARG  17  -3.275  -7.275  -5.157
  158    HE   ARG  17           HE       ARG  17  -3.469  -7.555  -2.405
  159   HH11  ARG  17          1HH1      ARG  17  -2.845  -9.591  -5.169
  160   HH12  ARG  17          2HH1      ARG  17  -1.852 -10.700  -4.285
  161   HH21  ARG  17          1HH2      ARG  17  -2.163  -9.012  -1.241
  162   HH22  ARG  17          2HH2      ARG  17  -1.464 -10.373  -2.055
  163    H    SER  18           H        SER  18  -7.389  -7.275  -2.287
  164    HA   SER  18           HA       SER  18  -8.675  -9.629  -3.270
  165    HB2  SER  18           2HB      SER  18  -8.218  -8.818  -0.404
  166    HB3  SER  18           1HB      SER  18  -8.540 -10.443  -1.007
  167    HG   SER  18           HG       SER  18  -6.193  -9.052  -0.916
  168    H    SER  19           H        SER  19 -10.017  -6.735  -2.782
  169    HA   SER  19           HA       SER  19 -12.178  -6.994  -1.105
  170    HB2  SER  19           2HB      SER  19 -11.328  -5.093  -2.853
  171    HB3  SER  19           1HB      SER  19 -12.778  -5.672  -3.673
  172    HG   SER  19           HG       SER  19 -12.770  -3.928  -1.825
  173    H    ALA  20           H        ALA  20 -11.544  -8.829  -3.874
  174    HA   ALA  20           HA       ALA  20 -13.986  -9.321  -5.033
  175    HB1  ALA  20           1HB      ALA  20 -12.353 -10.431  -6.150
  176    HB2  ALA  20           2HB      ALA  20 -12.954 -11.774  -5.178
  177    HB3  ALA  20           3HB      ALA  20 -11.510 -10.897  -4.673
  178    H    LYS  21           H        LYS  21 -12.748 -10.493  -2.012
  179    HA   LYS  21           HA       LYS  21 -15.367 -11.650  -1.412
  180    HB2  LYS  21           2HB      LYS  21 -12.828 -12.737  -0.259
  181    HB3  LYS  21           1HB      LYS  21 -14.427 -13.464  -0.274
  182    HG2  LYS  21           2HG      LYS  21 -14.010 -14.516  -2.182
  183    HG3  LYS  21           1HG      LYS  21 -13.501 -13.017  -2.961
  184    HD2  LYS  21           2HD      LYS  21 -11.397 -13.639  -1.267
  185    HD3  LYS  21           1HD      LYS  21 -11.904 -15.203  -1.906
  186    HE2  LYS  21           2HE      LYS  21 -10.725 -14.737  -3.735
  187    HE3  LYS  21           1HE      LYS  21 -11.922 -13.496  -4.105
  188    HZ1  LYS  21           3HZ      LYS  21 -10.117 -12.176  -4.053
  189    HZ2  LYS  21           1HZ      LYS  21  -9.224 -13.220  -3.066
  190    HZ3  LYS  21           2HZ      LYS  21 -10.378 -12.189  -2.382
  191    H    LYS  22           H        LYS  22 -15.433  -9.393  -0.756
  192    HA   LYS  22           HA       LYS  22 -14.303  -8.904   1.901
  193    HB2  LYS  22           2HB      LYS  22 -14.038  -7.244  -0.073
  194    HB3  LYS  22           1HB      LYS  22 -15.710  -6.821   0.272
  195    HG2  LYS  22           2HG      LYS  22 -15.196  -5.880   2.307
  196    HG3  LYS  22           1HG      LYS  22 -13.709  -6.812   2.482
  197    HD2  LYS  22           2HD      LYS  22 -12.802  -4.792   1.945
  198    HD3  LYS  22           1HD      LYS  22 -13.040  -5.429   0.316
  199    HE2  LYS  22           2HE      LYS  22 -14.024  -3.397   0.043
  200    HE3  LYS  22           1HE      LYS  22 -15.419  -4.294   0.639
  201    HZ1  LYS  22           3HZ      LYS  22 -15.521  -2.599   2.089
  202    HZ2  LYS  22           1HZ      LYS  22 -13.889  -2.187   1.915
  203    HZ3  LYS  22           2HZ      LYS  22 -14.334  -3.467   2.927
  204    H    LYS  23           H        LYS  23 -17.282  -8.066   0.209
  205    HA   LYS  23           HA       LYS  23 -18.825  -9.008   2.510
  206    HB2  LYS  23           2HB      LYS  23 -20.236  -7.026   2.481
  207    HB3  LYS  23           1HB      LYS  23 -18.562  -6.569   2.758
  208    HG2  LYS  23           2HG      LYS  23 -19.341  -6.562  -0.059
  209    HG3  LYS  23           1HG      LYS  23 -20.237  -5.418   0.942
  210    HD2  LYS  23           2HD      LYS  23 -17.618  -5.120   1.785
  211    HD3  LYS  23           1HD      LYS  23 -17.473  -5.342   0.041
  212    HE2  LYS  23           2HE      LYS  23 -18.002  -3.197  -0.197
  213    HE3  LYS  23           1HE      LYS  23 -19.622  -3.595   0.374
  214    HZ1  LYS  23           3HZ      LYS  23 -17.457  -2.244   1.746
  215    HZ2  LYS  23           1HZ      LYS  23 -18.300  -3.374   2.680
  216    HZ3  LYS  23           2HZ      LYS  23 -19.129  -2.095   1.949
  217    H    ARG  24           H        ARG  24 -18.663 -10.620   0.523
  218    HA   ARG  24           HA       ARG  24 -20.232 -10.269  -1.748
  219    HB2  ARG  24           2HB      ARG  24 -19.798 -12.848  -0.233
  220    HB3  ARG  24           1HB      ARG  24 -20.274 -12.700  -1.919
  221    HG2  ARG  24           2HG      ARG  24 -18.177 -12.144  -2.610
  222    HG3  ARG  24           1HG      ARG  24 -17.748 -11.394  -1.072
  223    HD2  ARG  24           2HD      ARG  24 -18.145 -14.360  -1.393
  224    HD3  ARG  24           1HD      ARG  24 -16.584 -13.575  -1.625
  225    HE   ARG  24           HE       ARG  24 -17.335 -12.713   0.820
  226   HH11  ARG  24          1HH1      ARG  24 -17.130 -15.889  -0.613
  227   HH12  ARG  24          2HH1      ARG  24 -16.783 -16.680   0.887
  228   HH21  ARG  24          1HH2      ARG  24 -16.880 -13.752   2.793
  229   HH22  ARG  24          2HH2      ARG  24 -16.643 -15.467   2.822
  Start of MODEL   13
    1    H2   PRO   1           1HT      PRO   1 -10.507  15.342  -6.302
    2    H3   PRO   1           2HT      PRO   1 -11.837  15.369  -7.268
    3    HA   PRO   1           HA       PRO   1 -11.455  13.422  -7.765
    4    HB2  PRO   1           2HB      PRO   1  -8.910  13.689  -9.130
    5    HB3  PRO   1           1HB      PRO   1 -10.519  13.414  -9.811
    6    HG2  PRO   1           2HG      PRO   1  -9.163  15.758 -10.095
    7    HG3  PRO   1           1HG      PRO   1 -10.932  15.648 -10.079
    8    HD2  PRO   1           2HD      PRO   1  -9.063  16.432  -7.863
    9    HD3  PRO   1           1HD      PRO   1 -10.599  17.175  -8.350
   10    H    LEU   2           H        LEU   2  -8.061  14.438  -7.378
   11    HA   LEU   2           HA       LEU   2  -7.600  12.092  -5.708
   12    HB2  LEU   2           2HB      LEU   2  -5.451  12.122  -6.342
   13    HB3  LEU   2           1HB      LEU   2  -6.152  12.946  -7.716
   14    HG   LEU   2           HG       LEU   2  -4.342  14.288  -7.338
   15   HD11  LEU   2          1HD1      LEU   2  -5.689  15.783  -5.218
   16   HD12  LEU   2          2HD1      LEU   2  -6.710  15.420  -6.607
   17   HD13  LEU   2          3HD1      LEU   2  -5.195  16.291  -6.832
   18   HD21  LEU   2          3HD2      LEU   2  -3.012  13.953  -5.598
   19   HD22  LEU   2          1HD2      LEU   2  -4.253  12.924  -4.883
   20   HD23  LEU   2          2HD2      LEU   2  -4.206  14.645  -4.501
   21    H    SER   3           H        SER   3  -8.935  14.649  -4.864
   22    HA   SER   3           HA       SER   3  -7.198  15.826  -2.897
   23    HB2  SER   3           2HB      SER   3  -9.880  16.298  -3.906
   24    HB3  SER   3           1HB      SER   3  -9.861  16.335  -2.143
   25    HG   SER   3           HG       SER   3  -7.987  17.759  -3.714
   26    H    ARG   4           H        ARG   4  -8.030  12.906  -3.191
   27    HA   ARG   4           HA       ARG   4  -8.931  12.346  -0.475
   28    HB2  ARG   4           2HB      ARG   4 -10.054  10.573  -1.380
   29    HB3  ARG   4           1HB      ARG   4 -10.007  11.616  -2.791
   30    HG2  ARG   4           2HG      ARG   4  -7.741  10.307  -3.230
   31    HG3  ARG   4           1HG      ARG   4  -8.561   9.068  -2.279
   32    HD2  ARG   4           2HD      ARG   4 -10.262  10.315  -4.297
   33    HD3  ARG   4           1HD      ARG   4  -8.850   9.507  -4.975
   34    HE   ARG   4           HE       ARG   4  -9.747   7.479  -4.366
   35   HH11  ARG   4          1HH1      ARG   4 -11.551  10.038  -2.821
   36   HH12  ARG   4          2HH1      ARG   4 -12.802   8.984  -2.258
   37   HH21  ARG   4          1HH2      ARG   4 -11.393   6.094  -3.629
   38   HH22  ARG   4          2HH2      ARG   4 -12.713   6.746  -2.715
   39    H    GLY   5           H        GLY   5  -6.514  11.752  -2.890
   40    HA2  GLY   5           2HA      GLY   5  -4.272  11.159  -2.523
   41    HA3  GLY   5           1HA      GLY   5  -4.685  10.717  -0.868
   42    H    LYS   6           H        LYS   6  -6.235   9.700  -3.885
   43    HA   LYS   6           HA       LYS   6  -6.478   7.033  -3.114
   44    HB2  LYS   6           2HB      LYS   6  -6.615   6.618  -5.654
   45    HB3  LYS   6           1HB      LYS   6  -7.881   7.492  -4.813
   46    HG2  LYS   6           2HG      LYS   6  -7.460   8.638  -6.852
   47    HG3  LYS   6           1HG      LYS   6  -6.791   9.623  -5.555
   48    HD2  LYS   6           2HD      LYS   6  -4.808   9.592  -6.561
   49    HD3  LYS   6           1HD      LYS   6  -4.762   7.835  -6.412
   50    HE2  LYS   6           2HE      LYS   6  -6.239   9.216  -8.633
   51    HE3  LYS   6           1HE      LYS   6  -4.527   8.812  -8.753
   52    HZ1  LYS   6           3HZ      LYS   6  -6.459   7.174  -9.522
   53    HZ2  LYS   6           1HZ      LYS   6  -6.304   6.666  -7.916
   54    HZ3  LYS   6           2HZ      LYS   6  -4.967   6.623  -8.949
   55    H    LYS   7           H        LYS   7  -3.746   8.714  -4.048
   56    HA   LYS   7           HA       LYS   7  -2.170   6.846  -5.366
   57    HB2  LYS   7           2HB      LYS   7  -0.278   7.881  -3.975
   58    HB3  LYS   7           1HB      LYS   7  -1.200   8.959  -5.012
   59    HG2  LYS   7           2HG      LYS   7  -1.128  10.210  -3.116
   60    HG3  LYS   7           1HG      LYS   7  -2.610   9.306  -2.812
   61    HD2  LYS   7           2HD      LYS   7  -0.977   7.594  -1.691
   62    HD3  LYS   7           1HD      LYS   7   0.093   8.992  -1.589
   63    HE2  LYS   7           2HE      LYS   7  -2.736   9.244  -0.677
   64    HE3  LYS   7           1HE      LYS   7  -1.567   8.431   0.362
   65    HZ1  LYS   7           3HZ      LYS   7  -1.307  10.556   1.073
   66    HZ2  LYS   7           1HZ      LYS   7  -1.724  11.244  -0.416
   67    HZ3  LYS   7           2HZ      LYS   7  -0.183  10.584  -0.191
   68    H    TRP   8           H        TRP   8  -3.486   6.923  -2.296
   69    HA   TRP   8           HA       TRP   8  -1.814   4.991  -0.994
   70    HB2  TRP   8           2HB      TRP   8  -3.121   5.263   0.890
   71    HB3  TRP   8           1HB      TRP   8  -3.413   6.803   0.090
   72    HD1  TRP   8           HD       TRP   8  -5.673   6.556  -1.679
   73    HE1  TRP   8           1HE      TRP   8  -8.006   5.729  -1.057
   74    HE3  TRP   8           3HE      TRP   8  -4.414   3.757   2.369
   75    HZ2  TRP   8           2HZ      TRP   8  -9.170   4.097   0.948
   76    HZ3  TRP   8           3HZ      TRP   8  -6.187   2.606   3.606
   77    HH2  TRP   8           HH       TRP   8  -8.508   2.750   2.892
   78    H    THR   9           H        THR   9  -4.893   5.102  -2.598
   79    HA   THR   9           HA       THR   9  -5.852   2.562  -2.164
   80    HB   THR   9           HB       THR   9  -6.512   4.731  -3.830
   81    HG1  THR   9           1HG      THR   9  -7.750   2.258  -3.259
   82   HG21  THR   9          3HG2      THR   9  -5.431   3.655  -5.711
   83   HG22  THR   9          1HG2      THR   9  -7.183   3.658  -5.907
   84   HG23  THR   9          2HG2      THR   9  -6.353   2.182  -5.413
   85    H    GLU  10           H        GLU  10  -3.338   3.762  -4.100
   86    HA   GLU  10           HA       GLU  10  -2.815   1.695  -5.864
   87    HB2  GLU  10           2HB      GLU  10  -1.136   3.150  -6.291
   88    HB3  GLU  10           1HB      GLU  10  -1.612   4.054  -4.872
   89    HG2  GLU  10           2HG      GLU  10   0.620   3.668  -4.489
   90    HG3  GLU  10           1HG      GLU  10  -0.147   2.382  -3.570
   91    H    LYS  11           H        LYS  11  -2.121   2.113  -2.488
   92    HA   LYS  11           HA       LYS  11  -0.578  -0.243  -2.139
   93    HB2  LYS  11           2HB      LYS  11  -2.096   1.362  -0.130
   94    HB3  LYS  11           1HB      LYS  11  -0.779   0.242   0.200
   95    HG2  LYS  11           2HG      LYS  11   0.807   1.639  -0.755
   96    HG3  LYS  11           1HG      LYS  11  -0.417   2.596  -1.590
   97    HD2  LYS  11           2HD      LYS  11   0.786   3.165   0.879
   98    HD3  LYS  11           1HD      LYS  11  -0.577   3.999   0.135
   99    HE2  LYS  11           2HE      LYS  11  -2.151   2.632   1.286
  100    HE3  LYS  11           1HE      LYS  11  -0.888   1.527   1.830
  101    HZ1  LYS  11           3HZ      LYS  11  -0.308   2.883   3.515
  102    HZ2  LYS  11           1HZ      LYS  11  -1.874   3.497   3.328
  103    HZ3  LYS  11           2HZ      LYS  11  -0.560   4.302   2.629
  104    H    LEU  12           H        LEU  12  -3.924   0.570  -2.012
  105    HA   LEU  12           HA       LEU  12  -4.525  -2.009  -0.831
  106    HB2  LEU  12           2HB      LEU  12  -6.915  -0.735  -1.510
  107    HB3  LEU  12           1HB      LEU  12  -6.285  -1.165   0.053
  108    HG   LEU  12           HG       LEU  12  -6.541   1.436  -1.218
  109   HD11  LEU  12          1HD1      LEU  12  -6.963   0.054   1.224
  110   HD12  LEU  12          2HD1      LEU  12  -7.584   1.611   0.688
  111   HD13  LEU  12          3HD1      LEU  12  -6.030   1.516   1.511
  112   HD21  LEU  12          3HD2      LEU  12  -4.499   2.154   0.298
  113   HD22  LEU  12          1HD2      LEU  12  -4.275   1.698  -1.381
  114   HD23  LEU  12          2HD2      LEU  12  -3.927   0.548  -0.106
  115    H    ALA  13           H        ALA  13  -4.506  -0.211  -3.687
  116    HA   ALA  13           HA       ALA  13  -6.046  -1.982  -5.284
  117    HB1  ALA  13           1HB      ALA  13  -5.054  -0.927  -7.174
  118    HB2  ALA  13           2HB      ALA  13  -3.641  -0.432  -6.243
  119    HB3  ALA  13           3HB      ALA  13  -5.198   0.345  -5.960
  120    H    ARG  14           H        ARG  14  -3.128  -2.073  -3.523
  121    HA   ARG  14           HA       ARG  14  -2.286  -4.536  -4.962
  122    HB2  ARG  14           2HB      ARG  14  -0.065  -4.100  -4.034
  123    HB3  ARG  14           1HB      ARG  14  -0.629  -2.711  -4.964
  124    HG2  ARG  14           2HG      ARG  14  -0.484  -1.398  -3.185
  125    HG3  ARG  14           1HG      ARG  14  -1.515  -2.482  -2.269
  126    HD2  ARG  14           2HD      ARG  14   0.736  -2.040  -1.297
  127    HD3  ARG  14           1HD      ARG  14   0.270  -3.728  -1.484
  128    HE   ARG  14           HE       ARG  14   2.124  -3.986  -2.778
  129   HH11  ARG  14          1HH1      ARG  14   1.129  -0.640  -3.042
  130   HH12  ARG  14          2HH1      ARG  14   2.411  -0.220  -4.123
  131   HH21  ARG  14          1HH2      ARG  14   3.811  -3.420  -4.188
  132   HH22  ARG  14          2HH2      ARG  14   3.935  -1.793  -4.769
  133    H    PHE  15           H        PHE  15  -3.525  -3.227  -2.011
  134    HA   PHE  15           HA       PHE  15  -2.854  -5.766  -0.684
  135    HB2  PHE  15           2HB      PHE  15  -2.636  -4.689   1.417
  136    HB3  PHE  15           1HB      PHE  15  -1.678  -3.793   0.257
  137    HD1  PHE  15           2HD      PHE  15  -5.276  -3.610   1.308
  138    HD2  PHE  15           1HD      PHE  15  -1.547  -1.653   0.783
  139    HE1  PHE  15           2HE      PHE  15  -6.251  -1.557   2.075
  140    HE2  PHE  15           1HE      PHE  15  -2.501   0.403   1.563
  141    HZ   PHE  15           HZ       PHE  15  -4.870   0.489   2.267
  142    H    GLN  16           H        GLN  16  -5.350  -3.372  -1.129
  143    HA   GLN  16           HA       GLN  16  -7.359  -4.222   0.495
  144    HB2  GLN  16           2HB      GLN  16  -8.735  -3.013  -0.869
  145    HB3  GLN  16           1HB      GLN  16  -7.197  -2.476  -1.503
  146    HG2  GLN  16           2HG      GLN  16  -8.214  -2.958  -3.452
  147    HG3  GLN  16           1HG      GLN  16  -7.529  -4.543  -3.105
  148   HE21  GLN  16          1HE2      GLN  16 -10.431  -2.675  -2.257
  149   HE22  GLN  16          2HE2      GLN  16 -11.547  -3.969  -2.512
  150    H    ARG  17           H        ARG  17  -5.948  -5.851  -2.162
  151    HA   ARG  17           HA       ARG  17  -7.706  -7.665  -3.096
  152    HB2  ARG  17           2HB      ARG  17  -5.550  -9.243  -2.918
  153    HB3  ARG  17           1HB      ARG  17  -5.679  -7.936  -4.087
  154    HG2  ARG  17           2HG      ARG  17  -4.202  -6.576  -2.938
  155    HG3  ARG  17           1HG      ARG  17  -4.512  -7.371  -1.395
  156    HD2  ARG  17           2HD      ARG  17  -2.300  -7.919  -2.222
  157    HD3  ARG  17           1HD      ARG  17  -3.325  -9.350  -2.168
  158    HE   ARG  17           HE       ARG  17  -3.284  -8.034  -4.728
  159   HH11  ARG  17          1HH1      ARG  17  -1.725 -10.407  -2.696
  160   HH12  ARG  17          2HH1      ARG  17  -1.021 -11.266  -4.025
  161   HH21  ARG  17          1HH2      ARG  17  -2.358  -9.162  -6.477
  162   HH22  ARG  17          2HH2      ARG  17  -1.380 -10.559  -6.170
  163    H    SER  18           H        SER  18  -6.325  -7.584   0.074
  164    HA   SER  18           HA       SER  18  -6.709 -10.200   0.921
  165    HB2  SER  18           2HB      SER  18  -7.243  -7.864   2.721
  166    HB3  SER  18           1HB      SER  18  -6.516  -9.422   3.116
  167    HG   SER  18           HG       SER  18  -4.756  -8.742   1.678
  168    H    SER  19           H        SER  19  -9.068  -7.951   0.004
  169    HA   SER  19           HA       SER  19 -11.210  -8.468   1.678
  170    HB2  SER  19           2HB      SER  19 -10.799  -7.210  -0.826
  171    HB3  SER  19           1HB      SER  19 -12.152  -8.324  -1.029
  172    HG   SER  19           HG       SER  19 -12.985  -6.413  -0.281
  173    H    ALA  20           H        ALA  20  -9.553 -10.676  -0.237
  174    HA   ALA  20           HA       ALA  20 -11.604 -12.386  -1.111
  175    HB1  ALA  20           1HB      ALA  20  -8.703 -12.837  -0.504
  176    HB2  ALA  20           2HB      ALA  20  -9.489 -12.705  -2.077
  177    HB3  ALA  20           3HB      ALA  20  -9.753 -14.133  -1.077
  178    H    LYS  21           H        LYS  21  -9.932 -12.104   1.919
  179    HA   LYS  21           HA       LYS  21 -11.780 -14.044   3.092
  180    HB2  LYS  21           2HB      LYS  21  -8.998 -13.643   4.120
  181    HB3  LYS  21           1HB      LYS  21 -10.126 -14.941   4.482
  182    HG2  LYS  21           2HG      LYS  21  -9.749 -16.004   2.440
  183    HG3  LYS  21           1HG      LYS  21  -9.038 -14.560   1.718
  184    HD2  LYS  21           2HD      LYS  21  -7.003 -14.908   2.688
  185    HD3  LYS  21           1HD      LYS  21  -7.694 -15.705   4.103
  186    HE2  LYS  21           2HE      LYS  21  -6.372 -17.198   2.581
  187    HE3  LYS  21           1HE      LYS  21  -8.021 -17.732   2.907
  188    HZ1  LYS  21           3HZ      LYS  21  -8.716 -16.925   0.783
  189    HZ2  LYS  21           1HZ      LYS  21  -7.360 -17.909   0.547
  190    HZ3  LYS  21           2HZ      LYS  21  -7.207 -16.225   0.481
  191    H    LYS  22           H        LYS  22 -12.807 -11.936   3.223
  192    HA   LYS  22           HA       LYS  22 -11.984 -10.412   5.600
  193    HB2  LYS  22           2HB      LYS  22 -12.198  -9.193   3.396
  194    HB3  LYS  22           1HB      LYS  22 -13.927  -9.506   3.476
  195    HG2  LYS  22           2HG      LYS  22 -13.341  -7.258   4.255
  196    HG3  LYS  22           1HG      LYS  22 -14.102  -8.228   5.518
  197    HD2  LYS  22           2HD      LYS  22 -12.308  -8.070   6.836
  198    HD3  LYS  22           1HD      LYS  22 -11.219  -8.528   5.526
  199    HE2  LYS  22           2HE      LYS  22 -10.710  -6.296   6.409
  200    HE3  LYS  22           1HE      LYS  22 -11.192  -6.242   4.714
  201    HZ1  LYS  22           3HZ      LYS  22 -12.347  -4.505   5.717
  202    HZ2  LYS  22           1HZ      LYS  22 -12.741  -5.413   7.090
  203    HZ3  LYS  22           2HZ      LYS  22 -13.501  -5.737   5.614
  204    H    LYS  23           H        LYS  23 -14.024 -12.837   4.796
  205    HA   LYS  23           HA       LYS  23 -15.872 -12.121   6.947
  206    HB2  LYS  23           2HB      LYS  23 -16.736 -13.347   4.321
  207    HB3  LYS  23           1HB      LYS  23 -17.777 -12.988   5.691
  208    HG2  LYS  23           2HG      LYS  23 -18.162 -10.988   4.833
  209    HG3  LYS  23           1HG      LYS  23 -16.456 -10.590   5.048
  210    HD2  LYS  23           2HD      LYS  23 -16.809 -10.217   2.778
  211    HD3  LYS  23           1HD      LYS  23 -16.115 -11.839   2.816
  212    HE2  LYS  23           2HE      LYS  23 -18.744 -12.420   3.040
  213    HE3  LYS  23           1HE      LYS  23 -18.824 -10.947   2.074
  214    HZ1  LYS  23           3HZ      LYS  23 -17.795 -13.572   1.372
  215    HZ2  LYS  23           1HZ      LYS  23 -16.898 -12.256   0.800
  216    HZ3  LYS  23           2HZ      LYS  23 -18.535 -12.404   0.400
  217    H    ARG  24           H        ARG  24 -13.883 -13.604   7.607
  218    HA   ARG  24           HA       ARG  24 -14.985 -16.069   8.403
  219    HB2  ARG  24           2HB      ARG  24 -13.573 -17.626   7.160
  220    HB3  ARG  24           1HB      ARG  24 -14.587 -16.695   6.064
  221    HG2  ARG  24           2HG      ARG  24 -12.832 -15.792   5.026
  222    HG3  ARG  24           1HG      ARG  24 -11.983 -15.473   6.541
  223    HD2  ARG  24           2HD      ARG  24 -10.756 -17.048   5.112
  224    HD3  ARG  24           1HD      ARG  24 -11.242 -17.781   6.639
  225    HE   ARG  24           HE       ARG  24 -13.197 -18.303   4.682
  226   HH11  ARG  24          1HH1      ARG  24  -9.934 -19.195   5.542
  227   HH12  ARG  24          2HH1      ARG  24 -10.037 -20.763   4.814
  228   HH21  ARG  24          1HH2      ARG  24 -13.335 -20.363   3.724
  229   HH22  ARG  24          2HH2      ARG  24 -11.969 -21.427   3.780
  Start of MODEL   14
    1    H2   PRO   1           1HT      PRO   1  -2.503  15.125  -3.194
    2    H3   PRO   1           2HT      PRO   1  -1.147  16.056  -3.257
    3    HA   PRO   1           HA       PRO   1  -0.671  15.581  -5.236
    4    HB2  PRO   1           2HB      PRO   1  -1.727  12.983  -5.752
    5    HB3  PRO   1           1HB      PRO   1  -0.032  13.467  -5.628
    6    HG2  PRO   1           2HG      PRO   1  -1.813  12.290  -3.573
    7    HG3  PRO   1           1HG      PRO   1  -0.053  12.167  -3.744
    8    HD2  PRO   1           2HD      PRO   1  -1.141  13.676  -1.827
    9    HD3  PRO   1           1HD      PRO   1   0.315  14.213  -2.687
   10    H    LEU   2           H        LEU   2  -3.705  13.936  -4.294
   11    HA   LEU   2           HA       LEU   2  -5.056  15.435  -6.433
   12    HB2  LEU   2           2HB      LEU   2  -6.347  13.015  -5.283
   13    HB3  LEU   2           1HB      LEU   2  -6.351  13.609  -6.930
   14    HG   LEU   2           HG       LEU   2  -3.857  12.842  -6.924
   15   HD11  LEU   2          1HD1      LEU   2  -4.042  10.607  -5.415
   16   HD12  LEU   2          2HD1      LEU   2  -4.920  11.755  -4.406
   17   HD13  LEU   2          3HD1      LEU   2  -3.260  12.095  -4.886
   18   HD21  LEU   2          3HD2      LEU   2  -5.350  11.812  -8.404
   19   HD22  LEU   2          1HD2      LEU   2  -6.299  11.106  -7.096
   20   HD23  LEU   2          2HD2      LEU   2  -4.689  10.481  -7.454
   21    H    SER   3           H        SER   3  -7.297  13.885  -4.451
   22    HA   SER   3           HA       SER   3  -7.492  16.136  -2.598
   23    HB2  SER   3           2HB      SER   3  -9.777  15.024  -4.250
   24    HB3  SER   3           1HB      SER   3  -9.948  16.205  -2.952
   25    HG   SER   3           HG       SER   3  -9.722  16.909  -5.303
   26    H    ARG   4           H        ARG   4  -7.569  12.843  -3.283
   27    HA   ARG   4           HA       ARG   4  -8.765  12.189  -0.681
   28    HB2  ARG   4           2HB      ARG   4  -9.561  10.198  -1.624
   29    HB3  ARG   4           1HB      ARG   4  -9.834  11.405  -2.871
   30    HG2  ARG   4           2HG      ARG   4  -7.336  10.464  -3.494
   31    HG3  ARG   4           1HG      ARG   4  -8.155   9.014  -2.918
   32    HD2  ARG   4           2HD      ARG   4  -8.952  10.857  -5.158
   33    HD3  ARG   4           1HD      ARG   4  -8.553   9.143  -5.248
   34    HE   ARG   4           HE       ARG   4 -11.095  10.275  -4.660
   35   HH11  ARG   4          1HH1      ARG   4  -9.037   7.552  -3.933
   36   HH12  ARG   4          2HH1      ARG   4 -10.356   6.497  -3.553
   37   HH21  ARG   4          1HH2      ARG   4 -12.831   8.890  -4.161
   38   HH22  ARG   4          2HH2      ARG   4 -12.510   7.256  -3.683
   39    H    GLY   5           H        GLY   5  -6.158  11.675  -2.888
   40    HA2  GLY   5           2HA      GLY   5  -3.940  11.115  -2.356
   41    HA3  GLY   5           1HA      GLY   5  -4.480  10.621  -0.752
   42    H    LYS   6           H        LYS   6  -5.829   9.690  -3.880
   43    HA   LYS   6           HA       LYS   6  -6.117   7.007  -3.225
   44    HB2  LYS   6           2HB      LYS   6  -6.099   6.667  -5.765
   45    HB3  LYS   6           1HB      LYS   6  -7.391   7.576  -5.001
   46    HG2  LYS   6           2HG      LYS   6  -6.642   9.602  -5.839
   47    HG3  LYS   6           1HG      LYS   6  -5.002   8.999  -6.095
   48    HD2  LYS   6           2HD      LYS   6  -5.819   9.071  -8.254
   49    HD3  LYS   6           1HD      LYS   6  -6.154   7.400  -7.801
   50    HE2  LYS   6           2HE      LYS   6  -8.420   7.765  -7.610
   51    HE3  LYS   6           1HE      LYS   6  -8.222   9.488  -7.292
   52    HZ1  LYS   6           3HZ      LYS   6  -7.679   9.848  -9.591
   53    HZ2  LYS   6           1HZ      LYS   6  -9.151   9.020  -9.500
   54    HZ3  LYS   6           2HZ      LYS   6  -7.738   8.190  -9.919
   55    H    LYS   7           H        LYS   7  -3.286   8.673  -3.918
   56    HA   LYS   7           HA       LYS   7  -1.681   6.794  -5.187
   57    HB2  LYS   7           2HB      LYS   7   0.169   7.910  -4.212
   58    HB3  LYS   7           1HB      LYS   7  -1.065   9.139  -4.424
   59    HG2  LYS   7           2HG      LYS   7  -1.094   7.824  -1.805
   60    HG3  LYS   7           1HG      LYS   7   0.366   8.748  -2.157
   61    HD2  LYS   7           2HD      LYS   7  -0.849  10.741  -2.465
   62    HD3  LYS   7           1HD      LYS   7  -2.387   9.883  -2.569
   63    HE2  LYS   7           2HE      LYS   7  -2.666   9.958  -0.360
   64    HE3  LYS   7           1HE      LYS   7  -1.045   9.329  -0.071
   65    HZ1  LYS   7           3HZ      LYS   7  -1.994  12.076  -0.085
   66    HZ2  LYS   7           1HZ      LYS   7  -0.473  11.820  -0.781
   67    HZ3  LYS   7           2HZ      LYS   7  -0.758  11.362   0.822
   68    H    TRP   8           H        TRP   8  -3.193   6.850  -2.215
   69    HA   TRP   8           HA       TRP   8  -1.663   4.848  -0.838
   70    HB2  TRP   8           2HB      TRP   8  -3.083   5.128   0.960
   71    HB3  TRP   8           1HB      TRP   8  -3.281   6.686   0.166
   72    HD1  TRP   8           HD       TRP   8  -5.427   6.513  -1.756
   73    HE1  TRP   8           1HE      TRP   8  -7.819   5.752  -1.289
   74    HE3  TRP   8           3HE      TRP   8  -4.511   3.665   2.346
   75    HZ2  TRP   8           2HZ      TRP   8  -9.155   4.146   0.628
   76    HZ3  TRP   8           3HZ      TRP   8  -6.393   2.558   3.461
   77    HH2  TRP   8           HH       TRP   8  -8.658   2.773   2.602
   78    H    THR   9           H        THR   9  -4.628   5.056  -2.638
   79    HA   THR   9           HA       THR   9  -5.672   2.536  -2.297
   80    HB   THR   9           HB       THR   9  -6.184   4.734  -3.966
   81    HG1  THR   9           1HG      THR   9  -8.093   3.971  -3.628
   82   HG21  THR   9          3HG2      THR   9  -4.981   3.665  -5.787
   83   HG22  THR   9          1HG2      THR   9  -6.713   3.733  -6.111
   84   HG23  THR   9          2HG2      THR   9  -5.973   2.218  -5.595
   85    H    GLU  10           H        GLU  10  -3.005   3.680  -4.063
   86    HA   GLU  10           HA       GLU  10  -2.433   1.610  -5.808
   87    HB2  GLU  10           2HB      GLU  10  -0.678   3.003  -6.114
   88    HB3  GLU  10           1HB      GLU  10  -1.223   3.925  -4.729
   89    HG2  GLU  10           2HG      GLU  10   1.023   3.413  -4.304
   90    HG3  GLU  10           1HG      GLU  10   0.082   2.333  -3.285
   91    H    LYS  11           H        LYS  11  -1.953   1.973  -2.391
   92    HA   LYS  11           HA       LYS  11  -0.490  -0.431  -1.986
   93    HB2  LYS  11           2HB      LYS  11  -2.055   1.198  -0.036
   94    HB3  LYS  11           1HB      LYS  11  -0.773   0.050   0.339
   95    HG2  LYS  11           2HG      LYS  11   0.875   1.426  -0.544
   96    HG3  LYS  11           1HG      LYS  11  -0.299   2.416  -1.409
   97    HD2  LYS  11           2HD      LYS  11   0.820   2.913   1.122
   98    HD3  LYS  11           1HD      LYS  11  -0.469   3.810   0.320
   99    HE2  LYS  11           2HE      LYS  11  -2.151   2.475   1.363
  100    HE3  LYS  11           1HE      LYS  11  -0.950   1.339   1.979
  101    HZ1  LYS  11           3HZ      LYS  11  -0.422   4.009   2.844
  102    HZ2  LYS  11           1HZ      LYS  11  -0.618   2.601   3.763
  103    HZ3  LYS  11           2HZ      LYS  11  -1.970   3.508   3.306
  104    H    LEU  12           H        LEU  12  -3.804   0.499  -2.035
  105    HA   LEU  12           HA       LEU  12  -4.550  -2.066  -0.907
  106    HB2  LEU  12           2HB      LEU  12  -6.863  -0.734  -1.701
  107    HB3  LEU  12           1HB      LEU  12  -6.331  -1.183  -0.111
  108    HG   LEU  12           HG       LEU  12  -6.457   1.427  -1.382
  109   HD11  LEU  12          1HD1      LEU  12  -7.579   1.667   0.468
  110   HD12  LEU  12          2HD1      LEU  12  -6.100   1.431   1.394
  111   HD13  LEU  12          3HD1      LEU  12  -7.114   0.053   0.988
  112   HD21  LEU  12          3HD2      LEU  12  -4.183   1.644  -1.404
  113   HD22  LEU  12          1HD2      LEU  12  -3.936   0.476  -0.124
  114   HD23  LEU  12          2HD2      LEU  12  -4.496   2.091   0.264
  115    H    ALA  13           H        ALA  13  -4.335  -0.237  -3.739
  116    HA   ALA  13           HA       ALA  13  -5.844  -1.914  -5.447
  117    HB1  ALA  13           1HB      ALA  13  -4.652  -0.924  -7.259
  118    HB2  ALA  13           2HB      ALA  13  -3.292  -0.499  -6.220
  119    HB3  ALA  13           3HB      ALA  13  -4.827   0.353  -6.055
  120    H    ARG  14           H        ARG  14  -3.043  -2.185  -3.522
  121    HA   ARG  14           HA       ARG  14  -2.262  -4.696  -4.920
  122    HB2  ARG  14           2HB      ARG  14  -0.087  -4.385  -3.823
  123    HB3  ARG  14           1HB      ARG  14  -0.505  -2.982  -4.811
  124    HG2  ARG  14           2HG      ARG  14  -0.479  -1.639  -3.043
  125    HG3  ARG  14           1HG      ARG  14  -1.559  -2.706  -2.164
  126    HD2  ARG  14           2HD      ARG  14   0.668  -2.262  -1.115
  127    HD3  ARG  14           1HD      ARG  14   0.167  -3.945  -1.270
  128    HE   ARG  14           HE       ARG  14   2.080  -4.274  -2.457
  129   HH11  ARG  14          1HH1      ARG  14   1.129  -0.939  -2.934
  130   HH12  ARG  14          2HH1      ARG  14   2.404  -0.608  -4.052
  131   HH21  ARG  14          1HH2      ARG  14   3.774  -3.820  -3.902
  132   HH22  ARG  14          2HH2      ARG  14   3.916  -2.235  -4.587
  133    H    PHE  15           H        PHE  15  -3.612  -3.337  -2.052
  134    HA   PHE  15           HA       PHE  15  -3.173  -5.900  -0.682
  135    HB2  PHE  15           2HB      PHE  15  -2.983  -4.829   1.427
  136    HB3  PHE  15           1HB      PHE  15  -1.923  -3.991   0.317
  137    HD1  PHE  15           2HD      PHE  15  -5.546  -3.579   1.205
  138    HD2  PHE  15           1HD      PHE  15  -1.682  -1.847   0.891
  139    HE1  PHE  15           2HE      PHE  15  -6.435  -1.482   1.930
  140    HE2  PHE  15           1HE      PHE  15  -2.555   0.251   1.630
  141    HZ   PHE  15           HZ       PHE  15  -4.949   0.479   2.207
  142    H    GLN  16           H        GLN  16  -5.464  -3.358  -1.209
  143    HA   GLN  16           HA       GLN  16  -7.634  -3.285  -0.109
  144    HB2  GLN  16           2HB      GLN  16  -7.188  -4.176  -2.865
  145    HB3  GLN  16           1HB      GLN  16  -8.797  -4.518  -2.257
  146    HG2  GLN  16           2HG      GLN  16  -8.363  -1.922  -1.469
  147    HG3  GLN  16           1HG      GLN  16  -7.597  -2.006  -3.055
  148   HE21  GLN  16          1HE2      GLN  16  -9.113  -0.720  -4.054
  149   HE22  GLN  16          2HE2      GLN  16 -10.735  -1.236  -4.351
  150    H    ARG  17           H        ARG  17  -6.688  -5.119   1.381
  151    HA   ARG  17           HA       ARG  17  -8.248  -7.579   1.049
  152    HB2  ARG  17           2HB      ARG  17  -6.891  -8.263   3.145
  153    HB3  ARG  17           1HB      ARG  17  -6.090  -8.216   1.583
  154    HG2  ARG  17           2HG      ARG  17  -5.561  -5.726   2.413
  155    HG3  ARG  17           1HG      ARG  17  -5.698  -6.532   3.973
  156    HD2  ARG  17           2HD      ARG  17  -3.394  -6.501   3.112
  157    HD3  ARG  17           1HD      ARG  17  -4.017  -8.134   3.338
  158    HE   ARG  17           HE       ARG  17  -4.512  -7.436   0.700
  159   HH11  ARG  17          1HH1      ARG  17  -1.742  -7.910   2.768
  160   HH12  ARG  17          2HH1      ARG  17  -0.705  -8.410   1.474
  161   HH21  ARG  17          1HH2      ARG  17  -3.151  -8.094  -1.003
  162   HH22  ARG  17          2HH2      ARG  17  -1.505  -8.515  -0.667
  163    H    SER  18           H        SER  18  -7.392  -5.529   3.791
  164    HA   SER  18           HA       SER  18  -9.985  -6.110   5.011
  165    HB2  SER  18           2HB      SER  18  -7.516  -4.781   6.119
  166    HB3  SER  18           1HB      SER  18  -9.006  -5.045   7.023
  167    HG   SER  18           HG       SER  18  -8.699  -7.319   6.587
  168    H    SER  19           H        SER  19  -9.177  -4.086   2.793
  169    HA   SER  19           HA       SER  19  -9.483  -1.480   3.615
  170    HB2  SER  19           2HB      SER  19  -9.291  -2.707   1.196
  171    HB3  SER  19           1HB      SER  19 -10.964  -2.151   1.153
  172    HG   SER  19           HG       SER  19  -8.829  -0.449   1.889
  173    H    ALA  20           H        ALA  20 -11.773  -3.968   3.877
  174    HA   ALA  20           HA       ALA  20 -14.146  -2.398   3.682
  175    HB1  ALA  20           1HB      ALA  20 -15.125  -4.422   4.943
  176    HB2  ALA  20           2HB      ALA  20 -13.532  -5.141   4.704
  177    HB3  ALA  20           3HB      ALA  20 -14.503  -4.664   3.311
  178    H    LYS  21           H        LYS  21 -11.995  -3.306   6.230
  179    HA   LYS  21           HA       LYS  21 -12.680  -3.183   8.589
  180    HB2  LYS  21           2HB      LYS  21 -11.303  -1.109   9.157
  181    HB3  LYS  21           1HB      LYS  21 -10.509  -2.461   8.366
  182    HG2  LYS  21           2HG      LYS  21  -9.719  -0.977   6.908
  183    HG3  LYS  21           1HG      LYS  21 -11.357  -0.893   6.259
  184    HD2  LYS  21           2HD      LYS  21 -11.852   1.057   7.423
  185    HD3  LYS  21           1HD      LYS  21 -10.565   0.796   8.600
  186    HE2  LYS  21           2HE      LYS  21  -8.937   1.120   6.689
  187    HE3  LYS  21           1HE      LYS  21 -10.311   1.682   5.737
  188    HZ1  LYS  21           3HZ      LYS  21  -9.689   3.662   6.568
  189    HZ2  LYS  21           1HZ      LYS  21  -8.898   2.995   7.907
  190    HZ3  LYS  21           2HZ      LYS  21 -10.579   3.174   7.921
  191    H    LYS  22           H        LYS  22 -14.870  -2.875   8.192
  192    HA   LYS  22           HA       LYS  22 -15.825  -0.143   8.779
  193    HB2  LYS  22           2HB      LYS  22 -18.007  -0.850   7.923
  194    HB3  LYS  22           1HB      LYS  22 -16.746  -1.080   6.719
  195    HG2  LYS  22           2HG      LYS  22 -17.718  -3.088   6.474
  196    HG3  LYS  22           1HG      LYS  22 -16.738  -3.508   7.880
  197    HD2  LYS  22           2HD      LYS  22 -18.596  -3.070   9.359
  198    HD3  LYS  22           1HD      LYS  22 -19.577  -2.495   8.009
  199    HE2  LYS  22           2HE      LYS  22 -19.122  -4.849   7.013
  200    HE3  LYS  22           1HE      LYS  22 -18.713  -5.283   8.673
  201    HZ1  LYS  22           3HZ      LYS  22 -20.976  -4.217   9.216
  202    HZ2  LYS  22           1HZ      LYS  22 -20.952  -5.768   8.539
  203    HZ3  LYS  22           2HZ      LYS  22 -21.308  -4.428   7.571
  204    H    LYS  23           H        LYS  23 -15.005  -2.794  10.426
  205    HA   LYS  23           HA       LYS  23 -17.002  -2.274  12.499
  206    HB2  LYS  23           2HB      LYS  23 -17.028  -4.734  13.018
  207    HB3  LYS  23           1HB      LYS  23 -17.806  -4.294  11.504
  208    HG2  LYS  23           2HG      LYS  23 -15.146  -4.817  10.839
  209    HG3  LYS  23           1HG      LYS  23 -15.605  -6.081  11.981
  210    HD2  LYS  23           2HD      LYS  23 -17.800  -5.951  10.352
  211    HD3  LYS  23           1HD      LYS  23 -16.483  -5.622   9.225
  212    HE2  LYS  23           2HE      LYS  23 -16.305  -7.854   9.104
  213    HE3  LYS  23           1HE      LYS  23 -15.469  -7.706  10.651
  214    HZ1  LYS  23           3HZ      LYS  23 -17.899  -7.845  11.565
  215    HZ2  LYS  23           1HZ      LYS  23 -17.047  -9.250  11.161
  216    HZ3  LYS  23           2HZ      LYS  23 -18.197  -8.621  10.092
  217    H    ARG  24           H        ARG  24 -14.777  -1.018  12.728
  218    HA   ARG  24           HA       ARG  24 -12.970  -0.623  14.054
  219    HB2  ARG  24           2HB      ARG  24 -14.134  -2.974  15.550
  220    HB3  ARG  24           1HB      ARG  24 -12.769  -2.032  16.135
  221    HG2  ARG  24           2HG      ARG  24 -14.071  -0.361  16.838
  222    HG3  ARG  24           1HG      ARG  24 -15.079  -0.408  15.390
  223    HD2  ARG  24           2HD      ARG  24 -15.298  -2.567  17.449
  224    HD3  ARG  24           1HD      ARG  24 -16.108  -1.021  17.699
  225    HE   ARG  24           HE       ARG  24 -16.951  -3.106  15.988
  226   HH11  ARG  24          1HH1      ARG  24 -16.759   0.374  16.158
  227   HH12  ARG  24          2HH1      ARG  24 -18.110   0.625  15.103
  228   HH21  ARG  24          1HH2      ARG  24 -18.728  -2.779  14.601
  229   HH22  ARG  24          2HH2      ARG  24 -19.229  -1.165  14.220
  Start of MODEL   15
    1    H2   PRO   1           1HT      PRO   1  -2.489  14.950  -3.599
    2    H3   PRO   1           2HT      PRO   1  -1.199  15.965  -3.540
    3    HA   PRO   1           HA       PRO   1  -0.595  15.623  -5.496
    4    HB2  PRO   1           2HB      PRO   1  -1.243  12.953  -6.181
    5    HB3  PRO   1           1HB      PRO   1   0.354  13.623  -5.838
    6    HG2  PRO   1           2HG      PRO   1  -1.502  12.163  -4.046
    7    HG3  PRO   1           1HG      PRO   1   0.267  12.218  -4.033
    8    HD2  PRO   1           2HD      PRO   1  -1.165  13.523  -2.190
    9    HD3  PRO   1           1HD      PRO   1   0.323  14.224  -2.855
   10    H    LEU   2           H        LEU   2  -3.569  13.838  -4.642
   11    HA   LEU   2           HA       LEU   2  -4.822  14.996  -7.032
   12    HB2  LEU   2           2HB      LEU   2  -6.476  12.960  -5.848
   13    HB3  LEU   2           1HB      LEU   2  -5.788  13.023  -7.449
   14    HG   LEU   2           HG       LEU   2  -5.198  10.962  -6.348
   15   HD11  LEU   2          1HD1      LEU   2  -3.452  11.263  -7.701
   16   HD12  LEU   2          2HD1      LEU   2  -2.567  11.582  -6.209
   17   HD13  LEU   2          3HD1      LEU   2  -3.191  12.924  -7.170
   18   HD21  LEU   2          3HD2      LEU   2  -4.991  12.553  -4.058
   19   HD22  LEU   2          1HD2      LEU   2  -3.365  11.951  -4.372
   20   HD23  LEU   2          2HD2      LEU   2  -4.701  10.821  -4.196
   21    H    SER   3           H        SER   3  -7.161  13.773  -4.946
   22    HA   SER   3           HA       SER   3  -7.420  16.285  -3.475
   23    HB2  SER   3           2HB      SER   3  -9.783  14.984  -4.833
   24    HB3  SER   3           1HB      SER   3  -9.710  16.571  -4.069
   25    HG   SER   3           HG       SER   3  -8.960  15.793  -6.595
   26    H    ARG   4           H        ARG   4  -7.558  12.916  -3.656
   27    HA   ARG   4           HA       ARG   4  -8.908  12.731  -1.050
   28    HB2  ARG   4           2HB      ARG   4  -9.795  10.664  -1.723
   29    HB3  ARG   4           1HB      ARG   4  -9.981  11.716  -3.118
   30    HG2  ARG   4           2HG      ARG   4  -7.572  10.600  -3.650
   31    HG3  ARG   4           1HG      ARG   4  -8.364   9.275  -2.797
   32    HD2  ARG   4           2HD      ARG   4  -9.517  10.786  -5.141
   33    HD3  ARG   4           1HD      ARG   4  -8.713   9.223  -5.243
   34    HE   ARG   4           HE       ARG   4 -11.132   9.588  -3.604
   35   HH11  ARG   4          1HH1      ARG   4  -9.435   7.939  -6.182
   36   HH12  ARG   4          2HH1      ARG   4 -10.648   6.716  -6.355
   37   HH21  ARG   4          1HH2      ARG   4 -12.716   7.982  -3.843
   38   HH22  ARG   4          2HH2      ARG   4 -12.506   6.741  -5.033
   39    H    GLY   5           H        GLY   5  -6.325  11.594  -3.053
   40    HA2  GLY   5           2HA      GLY   5  -4.142  11.081  -2.218
   41    HA3  GLY   5           1HA      GLY   5  -4.882  10.657  -0.675
   42    H    LYS   6           H        LYS   6  -6.065   9.710  -3.851
   43    HA   LYS   6           HA       LYS   6  -6.393   7.026  -3.128
   44    HB2  LYS   6           2HB      LYS   6  -6.459   6.664  -5.664
   45    HB3  LYS   6           1HB      LYS   6  -7.722   7.590  -4.871
   46    HG2  LYS   6           2HG      LYS   6  -6.827   9.647  -5.655
   47    HG3  LYS   6           1HG      LYS   6  -5.343   8.863  -6.199
   48    HD2  LYS   6           2HD      LYS   6  -7.608   7.604  -7.429
   49    HD3  LYS   6           1HD      LYS   6  -7.692   9.348  -7.678
   50    HE2  LYS   6           2HE      LYS   6  -5.004   8.418  -8.087
   51    HE3  LYS   6           1HE      LYS   6  -6.125   7.483  -9.075
   52    HZ1  LYS   6           3HZ      LYS   6  -5.343   9.434 -10.251
   53    HZ2  LYS   6           1HZ      LYS   6  -5.918  10.446  -9.022
   54    HZ3  LYS   6           2HZ      LYS   6  -7.005   9.554  -9.962
   55    H    LYS   7           H        LYS   7  -3.590   8.693  -3.919
   56    HA   LYS   7           HA       LYS   7  -2.026   6.792  -5.220
   57    HB2  LYS   7           2HB      LYS   7  -0.340   7.839  -3.254
   58    HB3  LYS   7           1HB      LYS   7  -0.524   8.428  -4.895
   59    HG2  LYS   7           2HG      LYS   7  -0.760  10.306  -3.533
   60    HG3  LYS   7           1HG      LYS   7  -2.406   9.879  -3.993
   61    HD2  LYS   7           2HD      LYS   7  -2.329  10.404  -1.633
   62    HD3  LYS   7           1HD      LYS   7  -2.652   8.684  -1.850
   63    HE2  LYS   7           2HE      LYS   7  -0.688   8.057  -0.945
   64    HE3  LYS   7           1HE      LYS   7   0.185   9.425  -1.635
   65    HZ1  LYS   7           3HZ      LYS   7  -0.886  10.837   0.076
   66    HZ2  LYS   7           1HZ      LYS   7   0.142   9.659   0.724
   67    HZ3  LYS   7           2HZ      LYS   7  -1.534   9.443   0.786
   68    H    TRP   8           H        TRP   8  -3.460   6.883  -2.209
   69    HA   TRP   8           HA       TRP   8  -1.873   4.904  -0.859
   70    HB2  TRP   8           2HB      TRP   8  -3.270   5.153   0.964
   71    HB3  TRP   8           1HB      TRP   8  -3.495   6.712   0.181
   72    HD1  TRP   8           HD       TRP   8  -5.686   6.548  -1.684
   73    HE1  TRP   8           1HE      TRP   8  -8.062   5.765  -1.168
   74    HE3  TRP   8           3HE      TRP   8  -4.649   3.637   2.351
   75    HZ2  TRP   8           2HZ      TRP   8  -9.340   4.109   0.743
   76    HZ3  TRP   8           3HZ      TRP   8  -6.497   2.480   3.475
   77    HH2  TRP   8           HH       TRP   8  -8.788   2.697   2.676
   78    H    THR   9           H        THR   9  -4.888   5.042  -2.594
   79    HA   THR   9           HA       THR   9  -5.835   2.490  -2.214
   80    HB   THR   9           HB       THR   9  -6.440   4.653  -3.900
   81    HG1  THR   9           1HG      THR   9  -7.927   3.421  -2.687
   82   HG21  THR   9          3HG2      THR   9  -6.252   2.111  -5.487
   83   HG22  THR   9          1HG2      THR   9  -5.258   3.548  -5.724
   84   HG23  THR   9          2HG2      THR   9  -6.997   3.621  -6.011
   85    H    GLU  10           H        GLU  10  -3.255   3.721  -4.042
   86    HA   GLU  10           HA       GLU  10  -2.644   1.667  -5.789
   87    HB2  GLU  10           2HB      GLU  10  -0.974   3.135  -6.165
   88    HB3  GLU  10           1HB      GLU  10  -1.518   4.044  -4.774
   89    HG2  GLU  10           2HG      GLU  10   0.706   3.704  -4.304
   90    HG3  GLU  10           1HG      GLU  10  -0.070   2.411  -3.402
   91    H    LYS  11           H        LYS  11  -2.052   2.063  -2.387
   92    HA   LYS  11           HA       LYS  11  -0.458  -0.272  -2.050
   93    HB2  LYS  11           2HB      LYS  11  -2.017   1.239  -0.006
   94    HB3  LYS  11           1HB      LYS  11  -0.627   0.194   0.274
   95    HG2  LYS  11           2HG      LYS  11   0.849   1.705  -0.685
   96    HG3  LYS  11           1HG      LYS  11  -0.452   2.615  -1.455
   97    HD2  LYS  11           2HD      LYS  11   0.776   3.135   1.029
   98    HD3  LYS  11           1HD      LYS  11  -0.604   3.964   0.312
   99    HE2  LYS  11           2HE      LYS  11  -2.147   2.490   1.394
  100    HE3  LYS  11           1HE      LYS  11  -0.842   1.434   1.937
  101    HZ1  LYS  11           3HZ      LYS  11  -1.935   3.327   3.456
  102    HZ2  LYS  11           1HZ      LYS  11  -0.654   4.207   2.787
  103    HZ3  LYS  11           2HZ      LYS  11  -0.344   2.786   3.651
  104    H    LEU  12           H        LEU  12  -3.812   0.528  -1.872
  105    HA   LEU  12           HA       LEU  12  -4.358  -2.098  -0.753
  106    HB2  LEU  12           2HB      LEU  12  -6.793  -0.939  -1.254
  107    HB3  LEU  12           1HB      LEU  12  -5.986  -1.126   0.280
  108    HG   LEU  12           HG       LEU  12  -5.938   1.251  -1.511
  109   HD11  LEU  12          1HD1      LEU  12  -6.706   1.062   1.339
  110   HD12  LEU  12          2HD1      LEU  12  -7.834   0.613   0.058
  111   HD13  LEU  12          3HD1      LEU  12  -7.175   2.244   0.121
  112   HD21  LEU  12          3HD2      LEU  12  -4.636   1.563   1.054
  113   HD22  LEU  12          1HD2      LEU  12  -4.061   1.969  -0.551
  114   HD23  LEU  12          2HD2      LEU  12  -3.831   0.356   0.068
  115    H    ALA  13           H        ALA  13  -4.441  -0.211  -3.570
  116    HA   ALA  13           HA       ALA  13  -5.998  -1.913  -5.207
  117    HB1  ALA  13           1HB      ALA  13  -4.801  -0.928  -7.091
  118    HB2  ALA  13           2HB      ALA  13  -3.568  -0.289  -6.004
  119    HB3  ALA  13           3HB      ALA  13  -5.214   0.341  -5.938
  120    H    ARG  14           H        ARG  14  -3.052  -2.107  -3.486
  121    HA   ARG  14           HA       ARG  14  -2.281  -4.567  -4.974
  122    HB2  ARG  14           2HB      ARG  14  -0.066  -4.229  -3.972
  123    HB3  ARG  14           1HB      ARG  14  -0.565  -2.803  -4.884
  124    HG2  ARG  14           2HG      ARG  14  -0.477  -1.528  -3.067
  125    HG3  ARG  14           1HG      ARG  14  -1.495  -2.649  -2.182
  126    HD2  ARG  14           2HD      ARG  14   0.771  -2.194  -1.223
  127    HD3  ARG  14           1HD      ARG  14   0.288  -3.879  -1.408
  128    HE   ARG  14           HE       ARG  14   2.127  -4.153  -2.720
  129   HH11  ARG  14          1HH1      ARG  14   1.166  -0.795  -2.980
  130   HH12  ARG  14          2HH1      ARG  14   2.458  -0.384  -4.054
  131   HH21  ARG  14          1HH2      ARG  14   3.824  -3.600  -4.122
  132   HH22  ARG  14          2HH2      ARG  14   3.968  -1.973  -4.696
  133    H    PHE  15           H        PHE  15  -3.513  -3.301  -2.008
  134    HA   PHE  15           HA       PHE  15  -3.036  -5.909  -0.738
  135    HB2  PHE  15           2HB      PHE  15  -2.665  -4.916   1.372
  136    HB3  PHE  15           1HB      PHE  15  -1.715  -3.997   0.226
  137    HD1  PHE  15           2HD      PHE  15  -5.241  -3.747   1.460
  138    HD2  PHE  15           1HD      PHE  15  -1.493  -1.849   0.845
  139    HE1  PHE  15           2HE      PHE  15  -6.138  -1.713   2.345
  140    HE2  PHE  15           1HE      PHE  15  -2.371   0.188   1.746
  141    HZ   PHE  15           HZ       PHE  15  -4.718   0.298   2.549
  142    H    GLN  16           H        GLN  16  -5.267  -3.245  -0.876
  143    HA   GLN  16           HA       GLN  16  -7.343  -3.233   0.384
  144    HB2  GLN  16           2HB      GLN  16  -8.828  -3.197  -1.469
  145    HB3  GLN  16           1HB      GLN  16  -7.278  -2.609  -2.034
  146    HG2  GLN  16           2HG      GLN  16  -7.218  -4.146  -3.614
  147    HG3  GLN  16           1HG      GLN  16  -7.396  -5.431  -2.421
  148   HE21  GLN  16          1HE2      GLN  16  -9.226  -3.077  -4.311
  149   HE22  GLN  16          2HE2      GLN  16 -10.652  -4.040  -4.463
  150    H    ARG  17           H        ARG  17  -6.454  -5.299   1.520
  151    HA   ARG  17           HA       ARG  17  -7.819  -7.745   0.867
  152    HB2  ARG  17           2HB      ARG  17  -7.034  -8.399   3.232
  153    HB3  ARG  17           1HB      ARG  17  -5.833  -8.161   1.975
  154    HG2  ARG  17           2HG      ARG  17  -4.937  -7.115   3.852
  155    HG3  ARG  17           1HG      ARG  17  -5.590  -5.790   2.893
  156    HD2  ARG  17           2HD      ARG  17  -6.095  -5.628   5.322
  157    HD3  ARG  17           1HD      ARG  17  -7.524  -5.645   4.295
  158    HE   ARG  17           HE       ARG  17  -6.867  -8.261   5.184
  159   HH11  ARG  17          1HH1      ARG  17  -8.319  -5.266   6.229
  160   HH12  ARG  17          2HH1      ARG  17  -9.320  -6.023   7.422
  161   HH21  ARG  17          1HH2      ARG  17  -8.185  -9.259   6.750
  162   HH22  ARG  17          2HH2      ARG  17  -9.244  -8.289   7.718
  163    H    SER  18           H        SER  18  -8.662  -4.925   2.552
  164    HA   SER  18           HA       SER  18 -10.643  -6.157   4.257
  165    HB2  SER  18           2HB      SER  18 -10.203  -3.249   3.588
  166    HB3  SER  18           1HB      SER  18 -11.234  -3.874   4.873
  167    HG   SER  18           HG       SER  18  -8.595  -3.396   4.918
  168    H    SER  19           H        SER  19 -10.599  -5.967   1.094
  169    HA   SER  19           HA       SER  19 -12.798  -4.573   0.191
  170    HB2  SER  19           2HB      SER  19 -11.078  -6.615  -0.814
  171    HB3  SER  19           1HB      SER  19 -12.740  -7.053  -1.207
  172    HG   SER  19           HG       SER  19 -12.895  -4.780  -1.967
  173    H    ALA  20           H        ALA  20 -12.803  -7.145   2.385
  174    HA   ALA  20           HA       ALA  20 -15.270  -8.368   1.719
  175    HB1  ALA  20           1HB      ALA  20 -14.903  -9.707   3.499
  176    HB2  ALA  20           2HB      ALA  20 -14.455  -8.361   4.549
  177    HB3  ALA  20           3HB      ALA  20 -13.283  -9.015   3.404
  178    H    LYS  21           H        LYS  21 -14.394  -5.655   3.714
  179    HA   LYS  21           HA       LYS  21 -17.230  -5.004   4.017
  180    HB2  LYS  21           2HB      LYS  21 -15.119  -4.379   6.061
  181    HB3  LYS  21           1HB      LYS  21 -16.854  -4.125   6.199
  182    HG2  LYS  21           2HG      LYS  21 -16.489  -6.864   5.676
  183    HG3  LYS  21           1HG      LYS  21 -15.300  -6.421   6.902
  184    HD2  LYS  21           2HD      LYS  21 -17.066  -6.866   8.269
  185    HD3  LYS  21           1HD      LYS  21 -17.407  -5.168   7.931
  186    HE2  LYS  21           2HE      LYS  21 -18.527  -7.357   6.215
  187    HE3  LYS  21           1HE      LYS  21 -19.324  -6.870   7.710
  188    HZ1  LYS  21           3HZ      LYS  21 -18.609  -4.890   5.637
  189    HZ2  LYS  21           1HZ      LYS  21 -19.751  -4.754   6.880
  190    HZ3  LYS  21           2HZ      LYS  21 -20.057  -5.760   5.554
  191    H    LYS  22           H        LYS  22 -16.494  -4.015   2.013
  192    HA   LYS  22           HA       LYS  22 -14.790  -1.766   1.951
  193    HB2  LYS  22           2HB      LYS  22 -15.464  -3.059  -0.059
  194    HB3  LYS  22           1HB      LYS  22 -17.087  -2.399   0.092
  195    HG2  LYS  22           2HG      LYS  22 -16.430  -0.749  -1.235
  196    HG3  LYS  22           1HG      LYS  22 -15.439  -0.168   0.104
  197    HD2  LYS  22           2HD      LYS  22 -13.516  -1.255  -0.710
  198    HD3  LYS  22           1HD      LYS  22 -14.454  -2.260  -1.816
  199    HE2  LYS  22           2HE      LYS  22 -15.110   0.265  -2.633
  200    HE3  LYS  22           1HE      LYS  22 -13.426   0.460  -2.148
  201    HZ1  LYS  22           3HZ      LYS  22 -13.264  -0.169  -4.347
  202    HZ2  LYS  22           1HZ      LYS  22 -14.556  -1.258  -4.257
  203    HZ3  LYS  22           2HZ      LYS  22 -13.069  -1.651  -3.554
  204    H    LYS  23           H        LYS  23 -17.964  -2.178   3.119
  205    HA   LYS  23           HA       LYS  23 -18.176   0.705   3.560
  206    HB2  LYS  23           2HB      LYS  23 -20.555  -0.977   2.765
  207    HB3  LYS  23           1HB      LYS  23 -20.488   0.770   2.946
  208    HG2  LYS  23           2HG      LYS  23 -19.080  -0.844   0.830
  209    HG3  LYS  23           1HG      LYS  23 -20.532   0.134   0.604
  210    HD2  LYS  23           2HD      LYS  23 -18.404   1.665   1.830
  211    HD3  LYS  23           1HD      LYS  23 -17.889   0.958   0.298
  212    HE2  LYS  23           2HE      LYS  23 -19.645   2.014  -0.887
  213    HE3  LYS  23           1HE      LYS  23 -20.475   2.464   0.602
  214    HZ1  LYS  23           3HZ      LYS  23 -19.001   4.159   1.017
  215    HZ2  LYS  23           1HZ      LYS  23 -19.086   4.214  -0.673
  216    HZ3  LYS  23           2HZ      LYS  23 -17.764   3.480   0.085
  217    H    ARG  24           H        ARG  24 -17.187  -0.666   5.490
  218    HA   ARG  24           HA       ARG  24 -18.757  -2.172   7.194
  219    HB2  ARG  24           2HB      ARG  24 -17.208  -1.598   8.954
  220    HB3  ARG  24           1HB      ARG  24 -16.319  -1.812   7.453
  221    HG2  ARG  24           2HG      ARG  24 -17.192   0.917   8.301
  222    HG3  ARG  24           1HG      ARG  24 -15.753   0.177   9.005
  223    HD2  ARG  24           2HD      ARG  24 -15.080  -0.267   6.543
  224    HD3  ARG  24           1HD      ARG  24 -16.278   0.970   6.166
  225    HE   ARG  24           HE       ARG  24 -14.850   2.563   6.989
  226   HH11  ARG  24          1HH1      ARG  24 -13.727  -0.591   7.976
  227   HH12  ARG  24          2HH1      ARG  24 -12.226   0.001   8.601
  228   HH21  ARG  24          1HH2      ARG  24 -12.875   3.344   7.812
  229   HH22  ARG  24          2HH2      ARG  24 -11.741   2.236   8.509
  Start of MODEL   16
    1    H2   PRO   1           1HT      PRO   1  -2.845  15.593  -3.122
    2    H3   PRO   1           2HT      PRO   1  -1.200  15.649  -3.135
    3    HA   PRO   1           HA       PRO   1  -1.319  15.800  -5.174
    4    HB2  PRO   1           2HB      PRO   1  -2.290  13.198  -5.901
    5    HB3  PRO   1           1HB      PRO   1  -0.626  13.792  -5.900
    6    HG2  PRO   1           2HG      PRO   1  -1.608  11.899  -4.158
    7    HG3  PRO   1           1HG      PRO   1  -0.187  12.911  -3.852
    8    HD2  PRO   1           2HD      PRO   1  -2.993  13.224  -2.853
    9    HD3  PRO   1           1HD      PRO   1  -1.459  13.498  -2.006
   10    H    LEU   2           H        LEU   2  -4.230  14.074  -4.091
   11    HA   LEU   2           HA       LEU   2  -5.766  15.565  -6.107
   12    HB2  LEU   2           2HB      LEU   2  -6.880  13.070  -4.919
   13    HB3  LEU   2           1HB      LEU   2  -7.067  13.718  -6.535
   14    HG   LEU   2           HG       LEU   2  -4.580  13.045  -6.831
   15   HD11  LEU   2          1HD1      LEU   2  -3.736  12.356  -4.844
   16   HD12  LEU   2          2HD1      LEU   2  -4.407  10.813  -5.368
   17   HD13  LEU   2          3HD1      LEU   2  -5.303  11.824  -4.236
   18   HD21  LEU   2          3HD2      LEU   2  -6.966  11.238  -6.757
   19   HD22  LEU   2          1HD2      LEU   2  -5.384  10.625  -7.240
   20   HD23  LEU   2          2HD2      LEU   2  -6.138  11.935  -8.149
   21    H    SER   3           H        SER   3  -7.820  13.912  -4.014
   22    HA   SER   3           HA       SER   3  -7.928  16.102  -2.083
   23    HB2  SER   3           2HB      SER   3  -9.662  16.754  -3.555
   24    HB3  SER   3           1HB      SER   3 -10.181  15.089  -3.814
   25    HG   SER   3           HG       SER   3 -11.554  16.297  -2.382
   26    H    ARG   4           H        ARG   4  -7.913  12.841  -2.836
   27    HA   ARG   4           HA       ARG   4  -8.931  12.077  -0.188
   28    HB2  ARG   4           2HB      ARG   4  -9.740  10.091  -1.129
   29    HB3  ARG   4           1HB      ARG   4 -10.131  11.320  -2.321
   30    HG2  ARG   4           2HG      ARG   4  -7.645  10.447  -3.121
   31    HG3  ARG   4           1HG      ARG   4  -8.423   8.970  -2.559
   32    HD2  ARG   4           2HD      ARG   4  -9.353  10.892  -4.678
   33    HD3  ARG   4           1HD      ARG   4  -8.947   9.187  -4.858
   34    HE   ARG   4           HE       ARG   4 -11.006   9.112  -3.129
   35   HH11  ARG   4          1HH1      ARG   4 -10.584  10.695  -6.211
   36   HH12  ARG   4          2HH1      ARG   4 -12.265  10.622  -6.620
   37   HH21  ARG   4          1HH2      ARG   4 -13.217   9.017  -3.664
   38   HH22  ARG   4          2HH2      ARG   4 -13.761   9.671  -5.173
   39    H    GLY   5           H        GLY   5  -6.470  11.702  -2.584
   40    HA2  GLY   5           2HA      GLY   5  -4.212  11.177  -2.239
   41    HA3  GLY   5           1HA      GLY   5  -4.612  10.655  -0.603
   42    H    LYS   6           H        LYS   6  -6.156   9.725  -3.644
   43    HA   LYS   6           HA       LYS   6  -6.357   7.032  -3.003
   44    HB2  LYS   6           2HB      LYS   6  -6.500   6.703  -5.528
   45    HB3  LYS   6           1HB      LYS   6  -7.739   7.631  -4.697
   46    HG2  LYS   6           2HG      LYS   6  -7.242   9.516  -5.808
   47    HG3  LYS   6           1HG      LYS   6  -5.504   9.240  -5.679
   48    HD2  LYS   6           2HD      LYS   6  -7.174   7.595  -7.543
   49    HD3  LYS   6           1HD      LYS   6  -6.615   9.201  -8.018
   50    HE2  LYS   6           2HE      LYS   6  -4.454   8.546  -8.190
   51    HE3  LYS   6           1HE      LYS   6  -4.584   7.397  -6.859
   52    HZ1  LYS   6           3HZ      LYS   6  -5.864   6.900  -9.479
   53    HZ2  LYS   6           1HZ      LYS   6  -5.514   5.788  -8.252
   54    HZ3  LYS   6           2HZ      LYS   6  -4.262   6.454  -9.172
   55    H    LYS   7           H        LYS   7  -3.601   8.755  -3.841
   56    HA   LYS   7           HA       LYS   7  -2.037   6.920  -5.218
   57    HB2  LYS   7           2HB      LYS   7  -0.143   8.034  -4.278
   58    HB3  LYS   7           1HB      LYS   7  -1.388   9.249  -4.517
   59    HG2  LYS   7           2HG      LYS   7  -1.418   8.029  -1.863
   60    HG3  LYS   7           1HG      LYS   7   0.066   8.900  -2.241
   61    HD2  LYS   7           2HD      LYS   7  -1.051  10.921  -2.533
   62    HD3  LYS   7           1HD      LYS   7  -2.613  10.132  -2.768
   63    HE2  LYS   7           2HE      LYS   7  -2.873   9.705  -0.492
   64    HE3  LYS   7           1HE      LYS   7  -1.154   9.911  -0.161
   65    HZ1  LYS   7           3HZ      LYS   7  -1.349  12.249  -0.457
   66    HZ2  LYS   7           1HZ      LYS   7  -2.580  11.775   0.604
   67    HZ3  LYS   7           2HZ      LYS   7  -2.942  12.120  -1.012
   68    H    TRP   8           H        TRP   8  -3.375   6.918  -2.163
   69    HA   TRP   8           HA       TRP   8  -1.730   4.933  -0.898
   70    HB2  TRP   8           2HB      TRP   8  -3.051   5.166   0.980
   71    HB3  TRP   8           1HB      TRP   8  -3.324   6.728   0.218
   72    HD1  TRP   8           HD       TRP   8  -5.573   6.543  -1.575
   73    HE1  TRP   8           1HE      TRP   8  -7.920   5.729  -0.984
   74    HE3  TRP   8           3HE      TRP   8  -4.370   3.642   2.416
   75    HZ2  TRP   8           2HZ      TRP   8  -9.112   4.066   0.977
   76    HZ3  TRP   8           3HZ      TRP   8  -6.162   2.483   3.617
   77    HH2  TRP   8           HH       TRP   8  -8.478   2.668   2.893
   78    H    THR   9           H        THR   9  -4.795   5.104  -2.524
   79    HA   THR   9           HA       THR   9  -5.777   2.565  -2.153
   80    HB   THR   9           HB       THR   9  -6.417   4.769  -3.768
   81    HG1  THR   9           1HG      THR   9  -7.898   3.547  -2.575
   82   HG21  THR   9          3HG2      THR   9  -5.281   3.699  -5.652
   83   HG22  THR   9          1HG2      THR   9  -7.025   3.814  -5.895
   84   HG23  THR   9          2HG2      THR   9  -6.297   2.274  -5.437
   85    H    GLU  10           H        GLU  10  -3.231   3.771  -4.051
   86    HA   GLU  10           HA       GLU  10  -2.725   1.731  -5.852
   87    HB2  GLU  10           2HB      GLU  10  -1.014   3.159  -6.238
   88    HB3  GLU  10           1HB      GLU  10  -1.490   4.050  -4.808
   89    HG2  GLU  10           2HG      GLU  10   0.784   3.565  -4.525
   90    HG3  GLU  10           1HG      GLU  10  -0.080   2.456  -3.471
   91    H    LYS  11           H        LYS  11  -2.067   2.052  -2.462
   92    HA   LYS  11           HA       LYS  11  -0.546  -0.336  -2.175
   93    HB2  LYS  11           2HB      LYS  11  -2.026   1.241  -0.117
   94    HB3  LYS  11           1HB      LYS  11  -0.711   0.106   0.169
   95    HG2  LYS  11           2HG      LYS  11   0.870   1.518  -0.770
   96    HG3  LYS  11           1HG      LYS  11  -0.358   2.499  -1.566
   97    HD2  LYS  11           2HD      LYS  11   0.875   2.993   0.909
   98    HD3  LYS  11           1HD      LYS  11  -0.469   3.872   0.184
   99    HE2  LYS  11           2HE      LYS  11  -2.071   2.508   1.303
  100    HE3  LYS  11           1HE      LYS  11  -0.827   1.376   1.834
  101    HZ1  LYS  11           3HZ      LYS  11  -0.936   2.573   3.716
  102    HZ2  LYS  11           1HZ      LYS  11  -1.605   3.932   2.961
  103    HZ3  LYS  11           2HZ      LYS  11   0.064   3.661   2.894
  104    H    LEU  12           H        LEU  12  -3.869   0.541  -2.053
  105    HA   LEU  12           HA       LEU  12  -4.528  -2.045  -0.912
  106    HB2  LEU  12           2HB      LEU  12  -6.893  -0.722  -1.573
  107    HB3  LEU  12           1HB      LEU  12  -6.273  -1.188  -0.017
  108    HG   LEU  12           HG       LEU  12  -6.471   1.438  -1.251
  109   HD11  LEU  12          1HD1      LEU  12  -6.006   1.425   1.500
  110   HD12  LEU  12          2HD1      LEU  12  -7.004   0.022   1.135
  111   HD13  LEU  12          3HD1      LEU  12  -7.528   1.631   0.643
  112   HD21  LEU  12          3HD2      LEU  12  -4.205   1.678  -1.360
  113   HD22  LEU  12          1HD2      LEU  12  -3.895   0.468  -0.132
  114   HD23  LEU  12          2HD2      LEU  12  -4.439   2.067   0.336
  115    H    ALA  13           H        ALA  13  -4.458  -0.185  -3.732
  116    HA   ALA  13           HA       ALA  13  -6.032  -1.859  -5.385
  117    HB1  ALA  13           1HB      ALA  13  -4.772  -0.916  -7.256
  118    HB2  ALA  13           2HB      ALA  13  -3.558  -0.285  -6.143
  119    HB3  ALA  13           3HB      ALA  13  -5.196   0.370  -6.125
  120    H    ARG  14           H        ARG  14  -3.141  -2.110  -3.596
  121    HA   ARG  14           HA       ARG  14  -2.403  -4.609  -5.039
  122    HB2  ARG  14           2HB      ARG  14  -0.181  -4.280  -4.037
  123    HB3  ARG  14           1HB      ARG  14  -0.655  -2.883  -5.009
  124    HG2  ARG  14           2HG      ARG  14  -0.584  -1.535  -3.246
  125    HG3  ARG  14           1HG      ARG  14  -1.585  -2.626  -2.308
  126    HD2  ARG  14           2HD      ARG  14   0.688  -2.121  -1.389
  127    HD3  ARG  14           1HD      ARG  14   0.217  -3.816  -1.509
  128    HE   ARG  14           HE       ARG  14   2.067  -4.109  -2.804
  129   HH11  ARG  14          1HH1      ARG  14   1.018  -0.798  -3.232
  130   HH12  ARG  14          2HH1      ARG  14   2.222  -0.442  -4.420
  131   HH21  ARG  14          1HH2      ARG  14   3.666  -3.623  -4.342
  132   HH22  ARG  14          2HH2      ARG  14   3.736  -2.038  -5.037
  133    H    PHE  15           H        PHE  15  -3.604  -3.258  -2.093
  134    HA   PHE  15           HA       PHE  15  -3.102  -5.834  -0.760
  135    HB2  PHE  15           2HB      PHE  15  -2.760  -4.779   1.322
  136    HB3  PHE  15           1HB      PHE  15  -1.804  -3.896   0.151
  137    HD1  PHE  15           2HD      PHE  15  -5.383  -3.610   1.239
  138    HD2  PHE  15           1HD      PHE  15  -1.584  -1.778   0.756
  139    HE1  PHE  15           2HE      PHE  15  -6.286  -1.540   2.042
  140    HE2  PHE  15           1HE      PHE  15  -2.468   0.296   1.570
  141    HZ   PHE  15           HZ       PHE  15  -4.834   0.455   2.272
  142    H    GLN  16           H        GLN  16  -5.453  -3.355  -1.342
  143    HA   GLN  16           HA       GLN  16  -7.497  -3.830   0.340
  144    HB2  GLN  16           2HB      GLN  16  -8.863  -2.859  -1.234
  145    HB3  GLN  16           1HB      GLN  16  -7.292  -2.409  -1.855
  146    HG2  GLN  16           2HG      GLN  16  -8.131  -3.165  -3.785
  147    HG3  GLN  16           1HG      GLN  16  -7.617  -4.726  -3.147
  148   HE21  GLN  16          1HE2      GLN  16 -10.333  -2.595  -3.671
  149   HE22  GLN  16          2HE2      GLN  16 -11.561  -3.800  -3.509
  150    H    ARG  17           H        ARG  17  -6.227  -6.006  -1.965
  151    HA   ARG  17           HA       ARG  17  -8.148  -7.814  -2.550
  152    HB2  ARG  17           2HB      ARG  17  -6.152  -9.511  -2.142
  153    HB3  ARG  17           1HB      ARG  17  -6.150  -8.383  -3.490
  154    HG2  ARG  17           2HG      ARG  17  -4.632  -6.921  -2.392
  155    HG3  ARG  17           1HG      ARG  17  -4.835  -7.756  -0.852
  156    HD2  ARG  17           2HD      ARG  17  -3.577  -8.907  -3.337
  157    HD3  ARG  17           1HD      ARG  17  -2.716  -8.339  -1.908
  158    HE   ARG  17           HE       ARG  17  -4.400 -10.206  -0.913
  159   HH11  ARG  17          1HH1      ARG  17  -2.087 -10.235  -3.525
  160   HH12  ARG  17          2HH1      ARG  17  -1.728 -11.920  -3.355
  161   HH21  ARG  17          1HH2      ARG  17  -3.929 -12.423  -0.687
  162   HH22  ARG  17          2HH2      ARG  17  -2.774 -13.163  -1.744
  163    H    SER  18           H        SER  18  -6.235  -7.704   0.385
  164    HA   SER  18           HA       SER  18  -7.669  -9.915   1.576
  165    HB2  SER  18           2HB      SER  18  -5.695  -8.075   2.905
  166    HB3  SER  18           1HB      SER  18  -6.192  -9.681   3.435
  167    HG   SER  18           HG       SER  18  -5.249 -10.475   1.455
  168    H    SER  19           H        SER  19  -8.582  -6.868   1.085
  169    HA   SER  19           HA       SER  19  -9.370  -5.814   3.536
  170    HB2  SER  19           2HB      SER  19  -9.551  -4.679   1.303
  171    HB3  SER  19           1HB      SER  19 -10.983  -5.659   0.987
  172    HG   SER  19           HG       SER  19 -10.608  -3.616   2.889
  173    H    ALA  20           H        ALA  20 -10.390  -8.665   2.052
  174    HA   ALA  20           HA       ALA  20 -13.051  -8.951   2.641
  175    HB1  ALA  20           1HB      ALA  20 -12.030 -11.430   3.283
  176    HB2  ALA  20           2HB      ALA  20 -10.809 -10.742   2.211
  177    HB3  ALA  20           3HB      ALA  20 -12.482 -10.875   1.670
  178    H    LYS  21           H        LYS  21 -10.357  -9.136   4.807
  179    HA   LYS  21           HA       LYS  21 -10.577 -10.193   7.019
  180    HB2  LYS  21           2HB      LYS  21 -10.680  -7.907   8.308
  181    HB3  LYS  21           1HB      LYS  21  -9.286  -8.368   7.344
  182    HG2  LYS  21           2HG      LYS  21  -9.878  -6.916   5.595
  183    HG3  LYS  21           1HG      LYS  21 -11.514  -6.701   6.222
  184    HD2  LYS  21           2HD      LYS  21 -10.695  -4.793   7.082
  185    HD3  LYS  21           1HD      LYS  21 -10.017  -5.846   8.325
  186    HE2  LYS  21           2HE      LYS  21  -8.588  -5.043   5.795
  187    HE3  LYS  21           1HE      LYS  21  -8.377  -4.251   7.356
  188    HZ1  LYS  21           3HZ      LYS  21  -6.652  -5.759   7.301
  189    HZ2  LYS  21           1HZ      LYS  21  -7.563  -6.959   6.530
  190    HZ3  LYS  21           2HZ      LYS  21  -7.827  -6.618   8.166
  191    H    LYS  22           H        LYS  22 -12.583 -11.135   6.642
  192    HA   LYS  22           HA       LYS  22 -15.006  -9.872   7.565
  193    HB2  LYS  22           2HB      LYS  22 -14.742 -11.787   5.829
  194    HB3  LYS  22           1HB      LYS  22 -14.689 -12.838   7.238
  195    HG2  LYS  22           2HG      LYS  22 -16.879 -11.784   7.940
  196    HG3  LYS  22           1HG      LYS  22 -16.938 -11.071   6.327
  197    HD2  LYS  22           2HD      LYS  22 -18.210 -13.107   6.306
  198    HD3  LYS  22           1HD      LYS  22 -16.733 -13.361   5.375
  199    HE2  LYS  22           2HE      LYS  22 -16.008 -14.956   6.763
  200    HE3  LYS  22           1HE      LYS  22 -16.417 -14.012   8.194
  201    HZ1  LYS  22           3HZ      LYS  22 -17.644 -16.197   7.814
  202    HZ2  LYS  22           1HZ      LYS  22 -18.508 -15.373   6.614
  203    HZ3  LYS  22           2HZ      LYS  22 -18.573 -14.842   8.218
  204    H    LYS  23           H        LYS  23 -12.380 -11.028   9.205
  205    HA   LYS  23           HA       LYS  23 -13.981 -11.427  11.620
  206    HB2  LYS  23           2HB      LYS  23 -12.486 -13.264  12.330
  207    HB3  LYS  23           1HB      LYS  23 -13.399 -13.665  10.881
  208    HG2  LYS  23           2HG      LYS  23 -10.777 -12.467  10.362
  209    HG3  LYS  23           1HG      LYS  23 -10.725 -14.024  11.192
  210    HD2  LYS  23           2HD      LYS  23 -11.393 -15.146   9.366
  211    HD3  LYS  23           1HD      LYS  23 -12.616 -13.940   8.963
  212    HE2  LYS  23           2HE      LYS  23 -10.902 -12.508   7.990
  213    HE3  LYS  23           1HE      LYS  23  -9.659 -13.679   8.427
  214    HZ1  LYS  23           3HZ      LYS  23 -10.196 -15.014   6.718
  215    HZ2  LYS  23           1HZ      LYS  23 -10.854 -13.606   6.049
  216    HZ3  LYS  23           2HZ      LYS  23 -11.856 -14.715   6.840
  217    H    ARG  24           H        ARG  24 -13.048  -9.067  11.258
  218    HA   ARG  24           HA       ARG  24 -11.742  -7.404  12.100
  219    HB2  ARG  24           2HB      ARG  24 -11.310  -9.628  14.050
  220    HB3  ARG  24           1HB      ARG  24 -10.320  -8.181  14.179
  221    HG2  ARG  24           2HG      ARG  24 -11.951  -7.122  15.231
  222    HG3  ARG  24           1HG      ARG  24 -13.041  -7.397  13.872
  223    HD2  ARG  24           2HD      ARG  24 -14.233  -8.745  15.175
  224    HD3  ARG  24           1HD      ARG  24 -12.862  -9.851  15.215
  225    HE   ARG  24           HE       ARG  24 -13.739  -8.092  17.316
  226   HH11  ARG  24          1HH1      ARG  24 -11.038  -9.882  16.015
  227   HH12  ARG  24          2HH1      ARG  24 -10.208  -9.973  17.533
  228   HH21  ARG  24          1HH2      ARG  24 -12.648  -8.211  19.310
  229   HH22  ARG  24          2HH2      ARG  24 -11.122  -9.025  19.404
  Start of MODEL   17
    1    H2   PRO   1           1HT      PRO   1  -1.847  16.064  -3.210
    2    H3   PRO   1           2HT      PRO   1  -0.253  16.357  -3.494
    3    HA   PRO   1           HA       PRO   1  -0.044  14.874  -4.940
    4    HB2  PRO   1           2HB      PRO   1  -1.825  12.763  -4.309
    5    HB3  PRO   1           1HB      PRO   1  -0.066  12.780  -4.128
    6    HG2  PRO   1           2HG      PRO   1  -2.181  13.344  -2.121
    7    HG3  PRO   1           1HG      PRO   1  -0.574  12.632  -1.895
    8    HD2  PRO   1           2HD      PRO   1  -1.068  15.137  -1.128
    9    HD3  PRO   1           1HD      PRO   1   0.482  14.714  -1.880
   10    H    LEU   2           H        LEU   2  -3.368  14.014  -4.023
   11    HA   LEU   2           HA       LEU   2  -4.299  15.350  -6.472
   12    HB2  LEU   2           2HB      LEU   2  -5.861  13.053  -5.424
   13    HB3  LEU   2           1HB      LEU   2  -5.553  13.536  -7.079
   14    HG   LEU   2           HG       LEU   2  -3.115  12.689  -6.510
   15   HD11  LEU   2          1HD1      LEU   2  -4.566  10.685  -4.889
   16   HD12  LEU   2          2HD1      LEU   2  -4.166  12.212  -4.103
   17   HD13  LEU   2          3HD1      LEU   2  -2.887  11.216  -4.800
   18   HD21  LEU   2          3HD2      LEU   2  -4.621  11.829  -8.257
   19   HD22  LEU   2          1HD2      LEU   2  -5.419  10.822  -7.051
   20   HD23  LEU   2          2HD2      LEU   2  -3.725  10.541  -7.452
   21    H    SER   3           H        SER   3  -6.875  13.982  -4.781
   22    HA   SER   3           HA       SER   3  -7.261  16.341  -3.099
   23    HB2  SER   3           2HB      SER   3  -8.599  15.990  -5.517
   24    HB3  SER   3           1HB      SER   3  -9.750  15.417  -4.311
   25    HG   SER   3           HG       SER   3  -8.495  17.954  -4.448
   26    H    ARG   4           H        ARG   4  -7.412  13.011  -3.654
   27    HA   ARG   4           HA       ARG   4  -8.950  12.555  -1.194
   28    HB2  ARG   4           2HB      ARG   4  -9.799  10.600  -2.149
   29    HB3  ARG   4           1HB      ARG   4  -9.820  11.759  -3.469
   30    HG2  ARG   4           2HG      ARG   4  -7.369  10.612  -3.789
   31    HG3  ARG   4           1HG      ARG   4  -8.319   9.252  -3.190
   32    HD2  ARG   4           2HD      ARG   4  -9.014  11.028  -5.529
   33    HD3  ARG   4           1HD      ARG   4  -8.373   9.391  -5.632
   34    HE   ARG   4           HE       ARG   4 -10.601   9.047  -4.167
   35   HH11  ARG   4          1HH1      ARG   4 -10.015  10.680  -7.196
   36   HH12  ARG   4          2HH1      ARG   4 -11.611  10.394  -7.803
   37   HH21  ARG   4          1HH2      ARG   4 -12.700   8.669  -4.963
   38   HH22  ARG   4          2HH2      ARG   4 -13.136   9.252  -6.535
   39    H    GLY   5           H        GLY   5  -6.169  11.743  -3.082
   40    HA2  GLY   5           2HA      GLY   5  -4.068  11.074  -2.268
   41    HA3  GLY   5           1HA      GLY   5  -4.823  10.679  -0.725
   42    H    LYS   6           H        LYS   6  -5.907   9.700  -3.937
   43    HA   LYS   6           HA       LYS   6  -6.272   7.023  -3.156
   44    HB2  LYS   6           2HB      LYS   6  -6.483   6.554  -5.587
   45    HB3  LYS   6           1HB      LYS   6  -7.587   7.747  -4.921
   46    HG2  LYS   6           2HG      LYS   6  -6.453   9.532  -5.955
   47    HG3  LYS   6           1HG      LYS   6  -5.041   8.532  -6.304
   48    HD2  LYS   6           2HD      LYS   6  -6.022   7.535  -8.114
   49    HD3  LYS   6           1HD      LYS   6  -7.651   7.702  -7.457
   50    HE2  LYS   6           2HE      LYS   6  -7.320  10.223  -7.827
   51    HE3  LYS   6           1HE      LYS   6  -5.963   9.754  -8.851
   52    HZ1  LYS   6           3HZ      LYS   6  -8.839   9.249  -9.244
   53    HZ2  LYS   6           1HZ      LYS   6  -7.695   8.236  -9.970
   54    HZ3  LYS   6           2HZ      LYS   6  -7.711   9.888 -10.329
   55    H    LYS   7           H        LYS   7  -3.471   8.689  -3.956
   56    HA   LYS   7           HA       LYS   7  -1.896   6.792  -5.226
   57    HB2  LYS   7           2HB      LYS   7  -0.130   8.113  -4.605
   58    HB3  LYS   7           1HB      LYS   7  -1.437   9.240  -4.287
   59    HG2  LYS   7           2HG      LYS   7  -0.062   7.511  -2.248
   60    HG3  LYS   7           1HG      LYS   7   0.187   9.241  -2.488
   61    HD2  LYS   7           2HD      LYS   7  -2.610   8.627  -2.161
   62    HD3  LYS   7           1HD      LYS   7  -1.671   8.020  -0.799
   63    HE2  LYS   7           2HE      LYS   7  -1.910  10.833  -1.815
   64    HE3  LYS   7           1HE      LYS   7  -2.303  10.207  -0.215
   65    HZ1  LYS   7           3HZ      LYS   7  -0.298  11.183   0.189
   66    HZ2  LYS   7           1HZ      LYS   7   0.312  10.874  -1.359
   67    HZ3  LYS   7           2HZ      LYS   7   0.233   9.629  -0.217
   68    H    TRP   8           H        TRP   8  -3.356   6.907  -2.227
   69    HA   TRP   8           HA       TRP   8  -1.762   4.954  -0.838
   70    HB2  TRP   8           2HB      TRP   8  -3.157   5.236   0.975
   71    HB3  TRP   8           1HB      TRP   8  -3.426   6.768   0.155
   72    HD1  TRP   8           HD       TRP   8  -5.604   6.498  -1.710
   73    HE1  TRP   8           1HE      TRP   8  -7.958   5.661  -1.180
   74    HE3  TRP   8           3HE      TRP   8  -4.497   3.706   2.386
   75    HZ2  TRP   8           2HZ      TRP   8  -9.192   4.020   0.773
   76    HZ3  TRP   8           3HZ      TRP   8  -6.313   2.542   3.548
   77    HH2  TRP   8           HH       TRP   8  -8.603   2.674   2.740
   78    H    THR   9           H        THR   9  -4.753   5.078  -2.600
   79    HA   THR   9           HA       THR   9  -5.731   2.533  -2.229
   80    HB   THR   9           HB       THR   9  -6.328   4.712  -3.889
   81    HG1  THR   9           1HG      THR   9  -7.728   3.221  -2.680
   82   HG21  THR   9          3HG2      THR   9  -5.118   3.701  -5.732
   83   HG22  THR   9          1HG2      THR   9  -6.856   3.695  -6.031
   84   HG23  THR   9          2HG2      THR   9  -6.042   2.213  -5.532
   85    H    GLU  10           H        GLU  10  -3.116   3.745  -4.032
   86    HA   GLU  10           HA       GLU  10  -2.511   1.686  -5.780
   87    HB2  GLU  10           2HB      GLU  10  -0.743   3.060  -6.105
   88    HB3  GLU  10           1HB      GLU  10  -1.375   4.049  -4.807
   89    HG2  GLU  10           2HG      GLU  10   0.860   3.664  -4.249
   90    HG3  GLU  10           1HG      GLU  10  -0.070   2.587  -3.218
   91    H    LYS  11           H        LYS  11  -2.015   2.055  -2.367
   92    HA   LYS  11           HA       LYS  11  -0.473  -0.304  -1.984
   93    HB2  LYS  11           2HB      LYS  11  -2.088   1.194   0.020
   94    HB3  LYS  11           1HB      LYS  11  -0.694   0.164   0.324
   95    HG2  LYS  11           2HG      LYS  11   0.784   1.712  -0.599
   96    HG3  LYS  11           1HG      LYS  11  -0.522   2.626  -1.350
   97    HD2  LYS  11           2HD      LYS  11   0.670   3.062   1.176
   98    HD3  LYS  11           1HD      LYS  11  -0.679   3.930   0.445
   99    HE2  LYS  11           2HE      LYS  11  -2.266   2.421   1.425
  100    HE3  LYS  11           1HE      LYS  11  -0.979   1.358   1.997
  101    HZ1  LYS  11           3HZ      LYS  11  -1.243   2.503   3.894
  102    HZ2  LYS  11           1HZ      LYS  11  -1.985   3.823   3.140
  103    HZ3  LYS  11           2HZ      LYS  11  -0.299   3.686   3.139
  104    H    LEU  12           H        LEU  12  -3.810   0.542  -1.989
  105    HA   LEU  12           HA       LEU  12  -4.481  -2.045  -0.872
  106    HB2  LEU  12           2HB      LEU  12  -6.832  -0.770  -1.616
  107    HB3  LEU  12           1HB      LEU  12  -6.238  -1.200  -0.041
  108    HG   LEU  12           HG       LEU  12  -6.468   1.409  -1.296
  109   HD11  LEU  12          1HD1      LEU  12  -7.550   1.610   0.586
  110   HD12  LEU  12          2HD1      LEU  12  -6.050   1.378   1.480
  111   HD13  LEU  12          3HD1      LEU  12  -7.052  -0.006   1.067
  112   HD21  LEU  12          3HD2      LEU  12  -4.192   1.664  -1.362
  113   HD22  LEU  12          1HD2      LEU  12  -3.906   0.511  -0.074
  114   HD23  LEU  12          2HD2      LEU  12  -4.497   2.117   0.306
  115    H    ALA  13           H        ALA  13  -4.362  -0.189  -3.687
  116    HA   ALA  13           HA       ALA  13  -5.861  -1.905  -5.375
  117    HB1  ALA  13           1HB      ALA  13  -3.417  -0.272  -6.107
  118    HB2  ALA  13           2HB      ALA  13  -5.057   0.376  -6.059
  119    HB3  ALA  13           3HB      ALA  13  -4.642  -0.892  -7.214
  120    H    ARG  14           H        ARG  14  -3.041  -2.091  -3.473
  121    HA   ARG  14           HA       ARG  14  -2.172  -4.522  -4.940
  122    HB2  ARG  14           2HB      ARG  14   0.005  -4.161  -3.902
  123    HB3  ARG  14           1HB      ARG  14  -0.490  -2.729  -4.807
  124    HG2  ARG  14           2HG      ARG  14  -0.389  -1.486  -2.981
  125    HG3  ARG  14           1HG      ARG  14  -1.494  -2.569  -2.156
  126    HD2  ARG  14           2HD      ARG  14   0.720  -2.223  -1.064
  127    HD3  ARG  14           1HD      ARG  14   0.208  -3.890  -1.326
  128    HE   ARG  14           HE       ARG  14   2.139  -4.162  -2.498
  129   HH11  ARG  14          1HH1      ARG  14   1.204  -0.804  -2.820
  130   HH12  ARG  14          2HH1      ARG  14   2.485  -0.425  -3.915
  131   HH21  ARG  14          1HH2      ARG  14   3.846  -3.644  -3.904
  132   HH22  ARG  14          2HH2      ARG  14   3.998  -2.030  -4.512
  133    H    PHE  15           H        PHE  15  -3.601  -3.316  -2.016
  134    HA   PHE  15           HA       PHE  15  -3.001  -5.921  -0.793
  135    HB2  PHE  15           2HB      PHE  15  -2.978  -4.949   1.396
  136    HB3  PHE  15           1HB      PHE  15  -1.844  -4.107   0.363
  137    HD1  PHE  15           2HD      PHE  15  -5.481  -3.691   1.180
  138    HD2  PHE  15           1HD      PHE  15  -1.613  -1.974   0.859
  139    HE1  PHE  15           2HE      PHE  15  -6.353  -1.579   1.926
  140    HE2  PHE  15           1HE      PHE  15  -2.466   0.133   1.612
  141    HZ   PHE  15           HZ       PHE  15  -4.857   0.372   2.197
  142    H    GLN  16           H        GLN  16  -5.443  -3.440  -1.164
  143    HA   GLN  16           HA       GLN  16  -7.511  -4.742   0.211
  144    HB2  GLN  16           2HB      GLN  16  -7.307  -2.690  -1.918
  145    HB3  GLN  16           1HB      GLN  16  -8.872  -3.460  -1.688
  146    HG2  GLN  16           2HG      GLN  16  -7.427  -2.479   0.689
  147    HG3  GLN  16           1HG      GLN  16  -8.162  -1.292  -0.386
  148   HE21  GLN  16          1HE2      GLN  16  -8.672  -3.358   2.197
  149   HE22  GLN  16          2HE2      GLN  16 -10.398  -3.306   2.242
  150    H    ARG  17           H        ARG  17  -5.872  -5.577  -2.607
  151    HA   ARG  17           HA       ARG  17  -7.500  -6.724  -4.387
  152    HB2  ARG  17           2HB      ARG  17  -5.632  -8.667  -4.208
  153    HB3  ARG  17           1HB      ARG  17  -5.363  -7.118  -4.994
  154    HG2  ARG  17           2HG      ARG  17  -3.953  -6.386  -3.375
  155    HG3  ARG  17           1HG      ARG  17  -4.831  -7.204  -2.084
  156    HD2  ARG  17           2HD      ARG  17  -3.911  -9.340  -3.360
  157    HD3  ARG  17           1HD      ARG  17  -2.661  -8.191  -3.834
  158    HE   ARG  17           HE       ARG  17  -2.798  -7.832  -1.174
  159   HH11  ARG  17          1HH1      ARG  17  -2.502 -10.707  -3.131
  160   HH12  ARG  17          2HH1      ARG  17  -1.618 -11.584  -1.928
  161   HH21  ARG  17          1HH2      ARG  17  -1.634  -8.984   0.407
  162   HH22  ARG  17          2HH2      ARG  17  -1.125 -10.607   0.080
  163    H    SER  18           H        SER  18  -6.861  -7.880  -1.182
  164    HA   SER  18           HA       SER  18  -7.786 -10.482  -1.303
  165    HB2  SER  18           2HB      SER  18  -8.336  -8.601   0.980
  166    HB3  SER  18           1HB      SER  18  -8.186 -10.356   1.049
  167    HG   SER  18           HG       SER  18  -6.174  -8.420   0.642
  168    H    SER  19           H        SER  19  -9.555  -7.598  -1.723
  169    HA   SER  19           HA       SER  19 -12.098  -8.281  -0.825
  170    HB2  SER  19           2HB      SER  19 -10.942  -6.345  -2.680
  171    HB3  SER  19           1HB      SER  19 -12.564  -6.851  -3.153
  172    HG   SER  19           HG       SER  19 -11.714  -5.529  -0.828
  173    H    ALA  20           H        ALA  20 -10.253  -9.815  -3.160
  174    HA   ALA  20           HA       ALA  20 -12.400 -10.660  -4.884
  175    HB1  ALA  20           1HB      ALA  20 -10.795 -11.520  -6.229
  176    HB2  ALA  20           2HB      ALA  20  -9.856 -12.154  -4.877
  177    HB3  ALA  20           3HB      ALA  20  -9.765 -10.441  -5.288
  178    H    LYS  21           H        LYS  21 -10.680 -11.903  -2.147
  179    HA   LYS  21           HA       LYS  21 -12.531 -14.165  -2.028
  180    HB2  LYS  21           2HB      LYS  21  -9.628 -14.189  -1.235
  181    HB3  LYS  21           1HB      LYS  21 -10.765 -15.512  -1.014
  182    HG2  LYS  21           2HG      LYS  21 -10.488 -16.230  -3.103
  183    HG3  LYS  21           1HG      LYS  21 -10.664 -14.605  -3.766
  184    HD2  LYS  21           2HD      LYS  21  -8.227 -14.355  -2.712
  185    HD3  LYS  21           1HD      LYS  21  -8.219 -16.096  -2.999
  186    HE2  LYS  21           2HE      LYS  21  -9.197 -15.268  -5.350
  187    HE3  LYS  21           1HE      LYS  21  -8.244 -13.849  -4.922
  188    HZ1  LYS  21           3HZ      LYS  21  -6.376 -15.495  -4.495
  189    HZ2  LYS  21           1HZ      LYS  21  -6.795 -15.212  -6.110
  190    HZ3  LYS  21           2HZ      LYS  21  -7.315 -16.624  -5.336
  191    H    LYS  22           H        LYS  22 -13.534 -12.382  -0.879
  192    HA   LYS  22           HA       LYS  22 -12.615 -11.548   1.679
  193    HB2  LYS  22           2HB      LYS  22 -14.879 -10.613   1.961
  194    HB3  LYS  22           1HB      LYS  22 -14.158 -10.163   0.423
  195    HG2  LYS  22           2HG      LYS  22 -15.778 -12.602   0.337
  196    HG3  LYS  22           1HG      LYS  22 -16.670 -11.132   0.738
  197    HD2  LYS  22           2HD      LYS  22 -14.773 -10.842  -1.483
  198    HD3  LYS  22           1HD      LYS  22 -16.096 -11.969  -1.792
  199    HE2  LYS  22           2HE      LYS  22 -17.239  -9.716  -0.552
  200    HE3  LYS  22           1HE      LYS  22 -16.120  -9.101  -1.766
  201    HZ1  LYS  22           3HZ      LYS  22 -18.609  -9.802  -2.319
  202    HZ2  LYS  22           1HZ      LYS  22 -17.851 -11.291  -2.592
  203    HZ3  LYS  22           2HZ      LYS  22 -17.355  -9.919  -3.449
  204    H    LYS  23           H        LYS  23 -13.807 -14.499   0.669
  205    HA   LYS  23           HA       LYS  23 -14.446 -15.231   3.429
  206    HB2  LYS  23           2HB      LYS  23 -16.040 -16.198   1.048
  207    HB3  LYS  23           1HB      LYS  23 -16.339 -16.570   2.740
  208    HG2  LYS  23           2HG      LYS  23 -17.692 -14.829   2.874
  209    HG3  LYS  23           1HG      LYS  23 -16.344 -13.757   2.492
  210    HD2  LYS  23           2HD      LYS  23 -18.009 -13.306   0.876
  211    HD3  LYS  23           1HD      LYS  23 -16.792 -14.284   0.055
  212    HE2  LYS  23           2HE      LYS  23 -18.158 -16.115  -0.085
  213    HE3  LYS  23           1HE      LYS  23 -19.072 -15.678   1.357
  214    HZ1  LYS  23           3HZ      LYS  23 -20.612 -15.108  -0.156
  215    HZ2  LYS  23           1HZ      LYS  23 -19.493 -14.904  -1.408
  216    HZ3  LYS  23           2HZ      LYS  23 -19.721 -13.675  -0.268
  217    H    ARG  24           H        ARG  24 -12.039 -15.680   2.667
  218    HA   ARG  24           HA       ARG  24 -10.409 -17.231   2.320
  219    HB2  ARG  24           2HB      ARG  24 -12.725 -18.832   3.296
  220    HB3  ARG  24           1HB      ARG  24 -11.338 -19.701   2.652
  221    HG2  ARG  24           2HG      ARG  24  -9.884 -18.711   4.278
  222    HG3  ARG  24           1HG      ARG  24 -11.172 -17.648   4.846
  223    HD2  ARG  24           2HD      ARG  24 -11.777 -20.532   4.885
  224    HD3  ARG  24           1HD      ARG  24 -10.526 -19.999   6.008
  225    HE   ARG  24           HE       ARG  24 -12.527 -18.224   6.419
  226   HH11  ARG  24          1HH1      ARG  24 -12.396 -21.711   6.387
  227   HH12  ARG  24          2HH1      ARG  24 -13.675 -21.895   7.538
  228   HH21  ARG  24          1HH2      ARG  24 -14.211 -18.464   7.934
  229   HH22  ARG  24          2HH2      ARG  24 -14.707 -20.052   8.416
  Start of MODEL   18
    1    H2   PRO   1           1HT      PRO   1  -2.322  15.063  -2.832
    2    H3   PRO   1           2HT      PRO   1  -0.891  15.870  -2.759
    3    HA   PRO   1           HA       PRO   1  -0.259  15.317  -4.668
    4    HB2  PRO   1           2HB      PRO   1  -1.404  12.780  -5.252
    5    HB3  PRO   1           1HB      PRO   1   0.290  13.156  -4.918
    6    HG2  PRO   1           2HG      PRO   1  -1.817  12.155  -3.090
    7    HG3  PRO   1           1HG      PRO   1  -0.064  11.903  -3.037
    8    HD2  PRO   1           2HD      PRO   1  -1.270  13.533  -1.297
    9    HD3  PRO   1           1HD      PRO   1   0.322  13.935  -1.967
   10    H    LEU   2           H        LEU   2  -3.472  13.907  -4.005
   11    HA   LEU   2           HA       LEU   2  -4.501  15.406  -6.316
   12    HB2  LEU   2           2HB      LEU   2  -6.086  13.127  -5.280
   13    HB3  LEU   2           1HB      LEU   2  -5.801  13.636  -6.930
   14    HG   LEU   2           HG       LEU   2  -3.408  12.689  -6.532
   15   HD11  LEU   2          1HD1      LEU   2  -2.997  11.551  -4.666
   16   HD12  LEU   2          2HD1      LEU   2  -4.498  10.638  -4.812
   17   HD13  LEU   2          3HD1      LEU   2  -4.499  12.212  -4.020
   18   HD21  LEU   2          3HD2      LEU   2  -4.659  11.631  -8.161
   19   HD22  LEU   2          1HD2      LEU   2  -5.947  11.197  -7.037
   20   HD23  LEU   2          2HD2      LEU   2  -4.410  10.334  -6.993
   21    H    SER   3           H        SER   3  -7.016  14.041  -4.529
   22    HA   SER   3           HA       SER   3  -7.268  16.365  -2.772
   23    HB2  SER   3           2HB      SER   3  -8.678  16.280  -5.085
   24    HB3  SER   3           1HB      SER   3  -9.774  15.391  -4.027
   25    HG   SER   3           HG       SER   3  -9.951  17.798  -4.146
   26    H    ARG   4           H        ARG   4  -7.569  13.054  -3.431
   27    HA   ARG   4           HA       ARG   4  -8.947  12.544  -0.892
   28    HB2  ARG   4           2HB      ARG   4  -9.900  10.663  -1.855
   29    HB3  ARG   4           1HB      ARG   4  -9.882  11.800  -3.192
   30    HG2  ARG   4           2HG      ARG   4  -7.516  10.600  -3.595
   31    HG3  ARG   4           1HG      ARG   4  -8.395   9.271  -2.840
   32    HD2  ARG   4           2HD      ARG   4  -9.830  10.789  -4.931
   33    HD3  ARG   4           1HD      ARG   4  -8.462   9.823  -5.474
   34    HE   ARG   4           HE       ARG   4  -9.634   7.899  -4.966
   35   HH11  ARG   4          1HH1      ARG   4 -11.370  10.686  -3.774
   36   HH12  ARG   4          2HH1      ARG   4 -12.818   9.796  -3.446
   37   HH21  ARG   4          1HH2      ARG   4 -11.539   6.734  -4.537
   38   HH22  ARG   4          2HH2      ARG   4 -12.915   7.555  -3.880
   39    H    GLY   5           H        GLY   5  -6.265  11.785  -2.940
   40    HA2  GLY   5           2HA      GLY   5  -4.116  11.124  -2.245
   41    HA3  GLY   5           1HA      GLY   5  -4.790  10.675  -0.681
   42    H    LYS   6           H        LYS   6  -6.057   9.764  -3.838
   43    HA   LYS   6           HA       LYS   6  -6.383   7.078  -3.146
   44    HB2  LYS   6           2HB      LYS   6  -6.562   6.692  -5.618
   45    HB3  LYS   6           1HB      LYS   6  -7.707   7.799  -4.879
   46    HG2  LYS   6           2HG      LYS   6  -6.489   9.701  -5.727
   47    HG3  LYS   6           1HG      LYS   6  -5.225   8.644  -6.360
   48    HD2  LYS   6           2HD      LYS   6  -7.512   7.615  -7.489
   49    HD3  LYS   6           1HD      LYS   6  -7.821   9.351  -7.491
   50    HE2  LYS   6           2HE      LYS   6  -6.566   9.500  -9.320
   51    HE3  LYS   6           1HE      LYS   6  -5.172   9.071  -8.331
   52    HZ1  LYS   6           3HZ      LYS   6  -6.826   6.863  -9.253
   53    HZ2  LYS   6           1HZ      LYS   6  -5.143   6.975  -9.119
   54    HZ3  LYS   6           2HZ      LYS   6  -5.935   7.670 -10.442
   55    H    LYS   7           H        LYS   7  -3.584   8.744  -3.948
   56    HA   LYS   7           HA       LYS   7  -2.011   6.873  -5.262
   57    HB2  LYS   7           2HB      LYS   7  -0.140   7.856  -3.819
   58    HB3  LYS   7           1HB      LYS   7  -1.032   8.976  -4.838
   59    HG2  LYS   7           2HG      LYS   7  -1.003  10.174  -2.916
   60    HG3  LYS   7           1HG      LYS   7  -2.474   9.246  -2.633
   61    HD2  LYS   7           2HD      LYS   7  -0.766   7.525  -1.593
   62    HD3  LYS   7           1HD      LYS   7   0.213   8.979  -1.393
   63    HE2  LYS   7           2HE      LYS   7  -2.638   9.040  -0.540
   64    HE3  LYS   7           1HE      LYS   7  -1.470   8.194   0.475
   65    HZ1  LYS   7           3HZ      LYS   7  -1.351  11.043  -0.357
   66    HZ2  LYS   7           1HZ      LYS   7  -0.139  10.247   0.517
   67    HZ3  LYS   7           2HZ      LYS   7  -1.673  10.459   1.198
   68    H    TRP   8           H        TRP   8  -3.436   6.930  -2.245
   69    HA   TRP   8           HA       TRP   8  -1.834   4.963  -0.904
   70    HB2  TRP   8           2HB      TRP   8  -3.199   5.238   0.934
   71    HB3  TRP   8           1HB      TRP   8  -3.461   6.781   0.132
   72    HD1  TRP   8           HD       TRP   8  -5.663   6.536  -1.716
   73    HE1  TRP   8           1HE      TRP   8  -8.017   5.714  -1.169
   74    HE3  TRP   8           3HE      TRP   8  -4.541   3.751   2.379
   75    HZ2  TRP   8           2HZ      TRP   8  -9.248   4.087   0.801
   76    HZ3  TRP   8           3HZ      TRP   8  -6.355   2.602   3.559
   77    HH2  TRP   8           HH       TRP   8  -8.650   2.746   2.769
   78    H    THR   9           H        THR   9  -4.869   5.101  -2.601
   79    HA   THR   9           HA       THR   9  -5.833   2.553  -2.209
   80    HB   THR   9           HB       THR   9  -6.470   4.732  -3.861
   81    HG1  THR   9           1HG      THR   9  -7.704   2.235  -3.392
   82   HG21  THR   9          3HG2      THR   9  -5.293   3.613  -5.706
   83   HG22  THR   9          1HG2      THR   9  -7.028   3.765  -5.984
   84   HG23  THR   9          2HG2      THR   9  -6.347   2.214  -5.493
   85    H    GLU  10           H        GLU  10  -3.281   3.765  -4.090
   86    HA   GLU  10           HA       GLU  10  -2.727   1.700  -5.849
   87    HB2  GLU  10           2HB      GLU  10  -1.055   3.170  -6.248
   88    HB3  GLU  10           1HB      GLU  10  -1.536   4.057  -4.819
   89    HG2  GLU  10           2HG      GLU  10   0.698   3.657  -4.440
   90    HG3  GLU  10           1HG      GLU  10  -0.082   2.375  -3.526
   91    H    LYS  11           H        LYS  11  -2.069   2.127  -2.470
   92    HA   LYS  11           HA       LYS  11  -0.531  -0.227  -2.107
   93    HB2  LYS  11           2HB      LYS  11  -2.056   1.390  -0.118
   94    HB3  LYS  11           1HB      LYS  11  -0.747   0.265   0.229
   95    HG2  LYS  11           2HG      LYS  11   0.850   1.646  -0.737
   96    HG3  LYS  11           1HG      LYS  11  -0.369   2.614  -1.567
   97    HD2  LYS  11           2HD      LYS  11   0.841   3.163   0.904
   98    HD3  LYS  11           1HD      LYS  11  -0.512   4.015   0.162
   99    HE2  LYS  11           2HE      LYS  11  -2.101   2.645   1.297
  100    HE3  LYS  11           1HE      LYS  11  -0.843   1.541   1.853
  101    HZ1  LYS  11           3HZ      LYS  11  -0.522   4.319   2.647
  102    HZ2  LYS  11           1HZ      LYS  11  -0.274   2.901   3.538
  103    HZ3  LYS  11           2HZ      LYS  11  -1.838   3.514   3.340
  104    H    LEU  12           H        LEU  12  -3.883   0.580  -1.991
  105    HA   LEU  12           HA       LEU  12  -4.448  -2.007  -0.820
  106    HB2  LEU  12           2HB      LEU  12  -6.873  -0.825  -1.496
  107    HB3  LEU  12           1HB      LEU  12  -6.218  -1.199   0.070
  108    HG   LEU  12           HG       LEU  12  -6.576   1.374  -1.241
  109   HD11  LEU  12          1HD1      LEU  12  -7.597   1.595   0.673
  110   HD12  LEU  12          2HD1      LEU  12  -6.050   1.465   1.508
  111   HD13  LEU  12          3HD1      LEU  12  -7.006   0.022   1.197
  112   HD21  LEU  12          3HD2      LEU  12  -4.576   2.203   0.264
  113   HD22  LEU  12          1HD2      LEU  12  -4.316   1.710  -1.399
  114   HD23  LEU  12          2HD2      LEU  12  -3.936   0.610  -0.093
  115    H    ALA  13           H        ALA  13  -4.483  -0.187  -3.672
  116    HA   ALA  13           HA       ALA  13  -5.962  -1.955  -5.304
  117    HB1  ALA  13           1HB      ALA  13  -5.168   0.317  -6.032
  118    HB2  ALA  13           2HB      ALA  13  -4.796  -0.968  -7.180
  119    HB3  ALA  13           3HB      ALA  13  -3.535  -0.343  -6.117
  120    H    ARG  14           H        ARG  14  -3.069  -2.088  -3.499
  121    HA   ARG  14           HA       ARG  14  -2.246  -4.568  -4.924
  122    HB2  ARG  14           2HB      ARG  14  -0.037  -4.172  -3.928
  123    HB3  ARG  14           1HB      ARG  14  -0.551  -2.787  -4.895
  124    HG2  ARG  14           2HG      ARG  14  -0.474  -1.444  -3.130
  125    HG3  ARG  14           1HG      ARG  14  -1.495  -2.533  -2.209
  126    HD2  ARG  14           2HD      ARG  14   0.751  -2.046  -1.237
  127    HD3  ARG  14           1HD      ARG  14   0.297  -3.742  -1.395
  128    HE   ARG  14           HE       ARG  14   2.156  -4.010  -2.681
  129   HH11  ARG  14          1HH1      ARG  14   1.143  -0.675  -3.001
  130   HH12  ARG  14          2HH1      ARG  14   2.426  -0.262  -4.083
  131   HH21  ARG  14          1HH2      ARG  14   3.845  -3.456  -4.096
  132   HH22  ARG  14          2HH2      ARG  14   3.961  -1.838  -4.701
  133    H    PHE  15           H        PHE  15  -3.518  -3.243  -2.002
  134    HA   PHE  15           HA       PHE  15  -2.966  -5.801  -0.655
  135    HB2  PHE  15           2HB      PHE  15  -2.722  -4.721   1.451
  136    HB3  PHE  15           1HB      PHE  15  -1.716  -3.867   0.304
  137    HD1  PHE  15           1HD      PHE  15  -5.296  -3.540   1.390
  138    HD2  PHE  15           2HD      PHE  15  -1.519  -1.693   0.792
  139    HE1  PHE  15           1HE      PHE  15  -6.203  -1.457   2.136
  140    HE2  PHE  15           2HE      PHE  15  -2.416   0.395   1.532
  141    HZ   PHE  15           HZ       PHE  15  -4.771   0.559   2.267
  142    H    GLN  16           H        GLN  16  -5.277  -3.234  -0.940
  143    HA   GLN  16           HA       GLN  16  -7.371  -3.229   0.291
  144    HB2  GLN  16           2HB      GLN  16  -8.843  -3.411  -1.596
  145    HB3  GLN  16           1HB      GLN  16  -7.332  -2.691  -2.119
  146    HG2  GLN  16           2HG      GLN  16  -6.648  -5.007  -2.872
  147    HG3  GLN  16           1HG      GLN  16  -8.329  -5.477  -2.621
  148   HE21  GLN  16          1HE2      GLN  16  -8.724  -5.903  -4.764
  149   HE22  GLN  16          2HE2      GLN  16  -8.816  -4.666  -5.967
  150    H    ARG  17           H        ARG  17  -6.390  -5.198   1.528
  151    HA   ARG  17           HA       ARG  17  -7.681  -7.725   1.024
  152    HB2  ARG  17           2HB      ARG  17  -6.771  -8.237   3.373
  153    HB3  ARG  17           1HB      ARG  17  -5.619  -7.972   2.073
  154    HG2  ARG  17           2HG      ARG  17  -6.358  -5.560   3.567
  155    HG3  ARG  17           1HG      ARG  17  -5.504  -6.786   4.505
  156    HD2  ARG  17           2HD      ARG  17  -4.166  -6.604   2.039
  157    HD3  ARG  17           1HD      ARG  17  -4.481  -4.948   2.553
  158    HE   ARG  17           HE       ARG  17  -2.982  -5.221   4.264
  159   HH11  ARG  17          1HH1      ARG  17  -3.761  -8.347   2.920
  160   HH12  ARG  17          2HH1      ARG  17  -2.530  -9.177   3.812
  161   HH21  ARG  17          1HH2      ARG  17  -1.362  -6.311   5.437
  162   HH22  ARG  17          2HH2      ARG  17  -1.169  -8.020   5.242
  163    H    SER  18           H        SER  18  -8.542  -4.850   2.624
  164    HA   SER  18           HA       SER  18 -10.348  -6.003   4.527
  165    HB2  SER  18           2HB      SER  18 -10.286  -3.179   3.476
  166    HB3  SER  18           1HB      SER  18 -11.064  -3.742   4.955
  167    HG   SER  18           HG       SER  18  -9.115  -2.914   5.568
  168    H    SER  19           H        SER  19 -10.513  -6.084   1.307
  169    HA   SER  19           HA       SER  19 -12.956  -5.060   0.523
  170    HB2  SER  19           2HB      SER  19 -11.086  -7.052  -0.462
  171    HB3  SER  19           1HB      SER  19 -12.754  -7.482  -0.842
  172    HG   SER  19           HG       SER  19 -11.704  -4.901  -1.329
  173    H    ALA  20           H        ALA  20 -12.411  -7.438   2.850
  174    HA   ALA  20           HA       ALA  20 -14.460  -9.254   2.573
  175    HB1  ALA  20           1HB      ALA  20 -14.467  -9.033   5.218
  176    HB2  ALA  20           2HB      ALA  20 -12.994  -8.124   4.883
  177    HB3  ALA  20           3HB      ALA  20 -13.140  -9.796   4.342
  178    H    LYS  21           H        LYS  21 -14.592  -5.979   3.663
  179    HA   LYS  21           HA       LYS  21 -16.498  -5.126   4.968
  180    HB2  LYS  21           2HB      LYS  21 -16.965  -4.558   2.068
  181    HB3  LYS  21           1HB      LYS  21 -17.226  -3.503   3.449
  182    HG2  LYS  21           2HG      LYS  21 -14.813  -3.337   3.786
  183    HG3  LYS  21           1HG      LYS  21 -14.547  -4.404   2.406
  184    HD2  LYS  21           2HD      LYS  21 -16.042  -2.597   1.181
  185    HD3  LYS  21           1HD      LYS  21 -15.435  -1.565   2.477
  186    HE2  LYS  21           2HE      LYS  21 -13.283  -3.109   1.380
  187    HE3  LYS  21           1HE      LYS  21 -14.142  -2.282   0.081
  188    HZ1  LYS  21           3HZ      LYS  21 -13.384  -0.806   2.513
  189    HZ2  LYS  21           1HZ      LYS  21 -13.645  -0.223   0.946
  190    HZ3  LYS  21           2HZ      LYS  21 -12.234  -1.082   1.305
  191    H    LYS  22           H        LYS  22 -17.399  -7.173   5.400
  192    HA   LYS  22           HA       LYS  22 -19.724  -7.967   3.819
  193    HB2  LYS  22           2HB      LYS  22 -17.912  -9.433   5.237
  194    HB3  LYS  22           1HB      LYS  22 -19.246  -9.341   6.378
  195    HG2  LYS  22           2HG      LYS  22 -20.529  -9.978   4.052
  196    HG3  LYS  22           1HG      LYS  22 -19.001 -10.845   3.889
  197    HD2  LYS  22           2HD      LYS  22 -20.889 -11.017   6.238
  198    HD3  LYS  22           1HD      LYS  22 -20.706 -12.230   4.969
  199    HE2  LYS  22           2HE      LYS  22 -19.344 -13.113   6.586
  200    HE3  LYS  22           1HE      LYS  22 -18.182 -12.137   5.688
  201    HZ1  LYS  22           3HZ      LYS  22 -18.427 -12.001   8.306
  202    HZ2  LYS  22           1HZ      LYS  22 -19.580 -10.834   7.891
  203    HZ3  LYS  22           2HZ      LYS  22 -17.979 -10.663   7.374
  204    H    LYS  23           H        LYS  23 -19.186  -5.669   6.083
  205    HA   LYS  23           HA       LYS  23 -21.974  -5.757   6.965
  206    HB2  LYS  23           2HB      LYS  23 -19.756  -4.952   8.841
  207    HB3  LYS  23           1HB      LYS  23 -21.443  -5.267   9.226
  208    HG2  LYS  23           2HG      LYS  23 -20.700  -7.260   9.903
  209    HG3  LYS  23           1HG      LYS  23 -20.674  -7.658   8.184
  210    HD2  LYS  23           2HD      LYS  23 -18.543  -8.261   8.823
  211    HD3  LYS  23           1HD      LYS  23 -18.283  -6.604   8.274
  212    HE2  LYS  23           2HE      LYS  23 -18.907  -7.198  11.144
  213    HE3  LYS  23           1HE      LYS  23 -17.262  -7.349  10.526
  214    HZ1  LYS  23           3HZ      LYS  23 -17.218  -5.192  11.165
  215    HZ2  LYS  23           1HZ      LYS  23 -18.879  -4.955  10.945
  216    HZ3  LYS  23           2HZ      LYS  23 -17.840  -4.955   9.610
  217    H    ARG  24           H        ARG  24 -21.478  -4.290   4.921
  218    HA   ARG  24           HA       ARG  24 -21.572  -2.196   4.036
  219    HB2  ARG  24           2HB      ARG  24 -22.742  -1.997   6.681
  220    HB3  ARG  24           1HB      ARG  24 -21.977  -0.483   6.214
  221    HG2  ARG  24           2HG      ARG  24 -23.507  -1.531   4.022
  222    HG3  ARG  24           1HG      ARG  24 -24.504  -1.430   5.474
  223    HD2  ARG  24           2HD      ARG  24 -24.549   0.806   5.417
  224    HD3  ARG  24           1HD      ARG  24 -22.824   0.918   5.074
  225    HE   ARG  24           HE       ARG  24 -24.333   0.060   2.805
  226   HH11  ARG  24          1HH1      ARG  24 -23.360   2.864   4.640
  227   HH12  ARG  24          2HH1      ARG  24 -23.514   3.950   3.301
  228   HH21  ARG  24          1HH2      ARG  24 -24.535   1.487   1.040
  229   HH22  ARG  24          2HH2      ARG  24 -24.180   3.168   1.257
  Start of MODEL   19
    1    H2   PRO   1           1HT      PRO   1  -1.706  15.236  -4.210
    2    H3   PRO   1           2HT      PRO   1  -0.088  14.958  -4.316
    3    HA   PRO   1           HA       PRO   1  -0.354  14.748  -6.336
    4    HB2  PRO   1           2HB      PRO   1  -1.864  12.306  -6.472
    5    HB3  PRO   1           1HB      PRO   1  -0.127  12.544  -6.692
    6    HG2  PRO   1           2HG      PRO   1  -1.246  11.238  -4.548
    7    HG3  PRO   1           1HG      PRO   1   0.346  12.013  -4.530
    8    HD2  PRO   1           2HD      PRO   1  -2.273  13.031  -3.483
    9    HD3  PRO   1           1HD      PRO   1  -0.655  13.151  -2.768
   10    H    LEU   2           H        LEU   2  -3.458  13.656  -4.939
   11    HA   LEU   2           HA       LEU   2  -4.828  15.208  -7.028
   12    HB2  LEU   2           2HB      LEU   2  -6.268  13.043  -5.576
   13    HB3  LEU   2           1HB      LEU   2  -6.421  13.563  -7.241
   14    HG   LEU   2           HG       LEU   2  -4.042  12.475  -7.474
   15   HD11  LEU   2          1HD1      LEU   2  -4.910  10.450  -5.574
   16   HD12  LEU   2          2HD1      LEU   2  -4.494  11.979  -4.800
   17   HD13  LEU   2          3HD1      LEU   2  -3.316  11.158  -5.823
   18   HD21  LEU   2          3HD2      LEU   2  -5.078  10.501  -8.269
   19   HD22  LEU   2          1HD2      LEU   2  -6.239  11.805  -8.524
   20   HD23  LEU   2          2HD2      LEU   2  -6.446  10.692  -7.172
   21    H    SER   3           H        SER   3  -7.025  14.102  -4.736
   22    HA   SER   3           HA       SER   3  -6.693  16.430  -3.000
   23    HB2  SER   3           2HB      SER   3  -8.482  16.621  -4.963
   24    HB3  SER   3           1HB      SER   3  -9.465  15.687  -3.836
   25    HG   SER   3           HG       SER   3  -8.756  18.310  -3.754
   26    H    ARG   4           H        ARG   4  -7.005  13.182  -3.356
   27    HA   ARG   4           HA       ARG   4  -8.245  12.805  -0.717
   28    HB2  ARG   4           2HB      ARG   4  -9.070  10.716  -1.484
   29    HB3  ARG   4           1HB      ARG   4  -9.427  11.883  -2.749
   30    HG2  ARG   4           2HG      ARG   4  -7.002  10.951  -3.557
   31    HG3  ARG   4           1HG      ARG   4  -7.692   9.510  -2.808
   32    HD2  ARG   4           2HD      ARG   4  -9.084  11.213  -4.875
   33    HD3  ARG   4           1HD      ARG   4  -8.185   9.742  -5.240
   34    HE   ARG   4           HE       ARG   4  -9.945   8.882  -3.407
   35   HH11  ARG   4          1HH1      ARG   4 -10.357  10.796  -6.299
   36   HH12  ARG   4          2HH1      ARG   4 -11.970  10.237  -6.587
   37   HH21  ARG   4          1HH2      ARG   4 -12.066   8.147  -3.788
   38   HH22  ARG   4          2HH2      ARG   4 -12.940   8.733  -5.164
   39    H    GLY   5           H        GLY   5  -5.712  11.899  -2.895
   40    HA2  GLY   5           2HA      GLY   5  -3.496  11.371  -2.220
   41    HA3  GLY   5           1HA      GLY   5  -4.131  10.862  -0.657
   42    H    LYS   6           H        LYS   6  -5.534  10.005  -3.757
   43    HA   LYS   6           HA       LYS   6  -5.811   7.305  -3.208
   44    HB2  LYS   6           2HB      LYS   6  -6.262   8.994  -5.415
   45    HB3  LYS   6           1HB      LYS   6  -5.479   7.524  -5.974
   46    HG2  LYS   6           2HG      LYS   6  -7.280   6.362  -4.479
   47    HG3  LYS   6           1HG      LYS   6  -8.139   7.884  -4.696
   48    HD2  LYS   6           2HD      LYS   6  -8.013   7.632  -7.115
   49    HD3  LYS   6           1HD      LYS   6  -7.094   6.139  -6.924
   50    HE2  LYS   6           2HE      LYS   6  -9.431   5.860  -5.371
   51    HE3  LYS   6           1HE      LYS   6  -9.930   6.531  -6.922
   52    HZ1  LYS   6           3HZ      LYS   6  -9.476   3.913  -6.422
   53    HZ2  LYS   6           1HZ      LYS   6  -8.030   4.387  -7.161
   54    HZ3  LYS   6           2HZ      LYS   6  -9.504   4.619  -7.959
   55    H    LYS   7           H        LYS   7  -2.955   8.965  -3.861
   56    HA   LYS   7           HA       LYS   7  -1.376   7.102  -5.206
   57    HB2  LYS   7           2HB      LYS   7   0.502   8.095  -4.095
   58    HB3  LYS   7           1HB      LYS   7  -0.656   9.373  -4.421
   59    HG2  LYS   7           2HG      LYS   7  -0.991   8.158  -1.795
   60    HG3  LYS   7           1HG      LYS   7   0.589   8.905  -2.030
   61    HD2  LYS   7           2HD      LYS   7  -0.370  11.008  -2.511
   62    HD3  LYS   7           1HD      LYS   7  -1.981  10.312  -2.699
   63    HE2  LYS   7           2HE      LYS   7  -2.115  11.251  -0.595
   64    HE3  LYS   7           1HE      LYS   7  -1.663   9.590  -0.219
   65    HZ1  LYS   7           3HZ      LYS   7  -0.161  12.040   0.131
   66    HZ2  LYS   7           1HZ      LYS   7   0.734  10.741  -0.480
   67    HZ3  LYS   7           2HZ      LYS   7  -0.080  10.588   0.994
   68    H    TRP   8           H        TRP   8  -2.891   7.103  -2.222
   69    HA   TRP   8           HA       TRP   8  -1.426   5.014  -0.891
   70    HB2  TRP   8           2HB      TRP   8  -2.963   5.179   0.867
   71    HB3  TRP   8           1HB      TRP   8  -2.989   6.813   0.209
   72    HD1  TRP   8           HD       TRP   8  -4.935   6.877  -1.923
   73    HE1  TRP   8           1HE      TRP   8  -7.399   6.305  -1.762
   74    HE3  TRP   8           3HE      TRP   8  -4.665   3.848   2.124
   75    HZ2  TRP   8           2HZ      TRP   8  -9.056   4.746  -0.044
   76    HZ3  TRP   8           3HZ      TRP   8  -6.731   2.858   2.994
   77    HH2  TRP   8           HH       TRP   8  -8.871   3.277   1.915
   78    H    THR   9           H        THR   9  -4.300   5.359  -2.796
   79    HA   THR   9           HA       THR   9  -5.483   2.896  -2.564
   80    HB   THR   9           HB       THR   9  -5.814   5.134  -4.208
   81    HG1  THR   9           1HG      THR   9  -7.218   2.704  -3.936
   82   HG21  THR   9          3HG2      THR   9  -4.502   4.025  -5.960
   83   HG22  THR   9          1HG2      THR   9  -6.188   4.267  -6.415
   84   HG23  THR   9          2HG2      THR   9  -5.629   2.671  -5.915
   85    H    GLU  10           H        GLU  10  -2.668   3.935  -4.144
   86    HA   GLU  10           HA       GLU  10  -2.091   1.863  -5.890
   87    HB2  GLU  10           2HB      GLU  10  -0.250   3.166  -6.061
   88    HB3  GLU  10           1HB      GLU  10  -0.836   4.094  -4.699
   89    HG2  GLU  10           2HG      GLU  10   1.287   3.520  -4.035
   90    HG3  GLU  10           1HG      GLU  10   0.301   2.299  -3.246
   91    H    LYS  11           H        LYS  11  -1.795   2.148  -2.443
   92    HA   LYS  11           HA       LYS  11  -0.507  -0.336  -1.974
   93    HB2  LYS  11           2HB      LYS  11  -2.161   1.309  -0.117
   94    HB3  LYS  11           1HB      LYS  11  -0.958   0.103   0.325
   95    HG2  LYS  11           2HG      LYS  11   0.806   1.441  -0.358
   96    HG3  LYS  11           1HG      LYS  11  -0.248   2.494  -1.301
   97    HD2  LYS  11           2HD      LYS  11   0.646   2.901   1.331
   98    HD3  LYS  11           1HD      LYS  11  -0.552   3.846   0.447
   99    HE2  LYS  11           2HE      LYS  11  -2.345   2.532   1.307
  100    HE3  LYS  11           1HE      LYS  11  -1.233   1.339   1.976
  101    HZ1  LYS  11           3HZ      LYS  11  -0.886   4.066   2.925
  102    HZ2  LYS  11           1HZ      LYS  11  -0.817   2.606   3.777
  103    HZ3  LYS  11           2HZ      LYS  11  -2.315   3.302   3.408
  104    H    LEU  12           H        LEU  12  -3.758   0.752  -2.272
  105    HA   LEU  12           HA       LEU  12  -4.717  -1.782  -1.256
  106    HB2  LEU  12           2HB      LEU  12  -6.886  -0.328  -2.192
  107    HB3  LEU  12           1HB      LEU  12  -6.468  -0.805  -0.575
  108    HG   LEU  12           HG       LEU  12  -6.357   1.814  -1.834
  109   HD11  LEU  12          1HD1      LEU  12  -7.650   2.087  -0.098
  110   HD12  LEU  12          2HD1      LEU  12  -6.278   1.777   0.961
  111   HD13  LEU  12          3HD1      LEU  12  -7.309   0.449   0.449
  112   HD21  LEU  12          3HD2      LEU  12  -4.533   2.323   0.032
  113   HD22  LEU  12          1HD2      LEU  12  -4.087   1.918  -1.617
  114   HD23  LEU  12          2HD2      LEU  12  -4.028   0.693  -0.369
  115    H    ALA  13           H        ALA  13  -4.208   0.076  -4.029
  116    HA   ALA  13           HA       ALA  13  -5.665  -1.519  -5.864
  117    HB1  ALA  13           1HB      ALA  13  -4.797   0.577  -6.673
  118    HB2  ALA  13           2HB      ALA  13  -3.933  -0.702  -7.525
  119    HB3  ALA  13           3HB      ALA  13  -3.158   0.144  -6.186
  120    H    ARG  14           H        ARG  14  -3.039  -1.910  -3.726
  121    HA   ARG  14           HA       ARG  14  -2.233  -4.407  -5.119
  122    HB2  ARG  14           2HB      ARG  14  -0.131  -4.201  -3.891
  123    HB3  ARG  14           1HB      ARG  14  -0.436  -2.749  -4.847
  124    HG2  ARG  14           2HG      ARG  14  -0.408  -1.490  -3.028
  125    HG3  ARG  14           1HG      ARG  14  -1.655  -2.482  -2.295
  126    HD2  ARG  14           2HD      ARG  14   0.457  -2.288  -1.002
  127    HD3  ARG  14           1HD      ARG  14  -0.120  -3.922  -1.325
  128    HE   ARG  14           HE       ARG  14   1.880  -4.307  -2.338
  129   HH11  ARG  14          1HH1      ARG  14   1.204  -0.886  -2.663
  130   HH12  ARG  14          2HH1      ARG  14   2.660  -0.560  -3.538
  131   HH21  ARG  14          1HH2      ARG  14   3.794  -3.864  -3.475
  132   HH22  ARG  14          2HH2      ARG  14   4.129  -2.244  -3.990
  133    H    PHE  15           H        PHE  15  -3.807  -3.086  -2.324
  134    HA   PHE  15           HA       PHE  15  -3.491  -5.717  -1.047
  135    HB2  PHE  15           2HB      PHE  15  -3.554  -4.736   1.128
  136    HB3  PHE  15           1HB      PHE  15  -2.315  -3.946   0.178
  137    HD1  PHE  15           2HD      PHE  15  -5.981  -3.349   0.692
  138    HD2  PHE  15           1HD      PHE  15  -2.014  -1.842   0.752
  139    HE1  PHE  15           2HE      PHE  15  -6.807  -1.199   1.386
  140    HE2  PHE  15           1HE      PHE  15  -2.820   0.303   1.454
  141    HZ   PHE  15           HZ       PHE  15  -5.241   0.665   1.821
  142    H    GLN  16           H        GLN  16  -5.715  -3.096  -1.677
  143    HA   GLN  16           HA       GLN  16  -7.976  -4.242  -0.463
  144    HB2  GLN  16           2HB      GLN  16  -7.459  -2.217  -2.566
  145    HB3  GLN  16           1HB      GLN  16  -9.083  -2.887  -2.476
  146    HG2  GLN  16           2HG      GLN  16  -7.793  -1.981   0.017
  147    HG3  GLN  16           1HG      GLN  16  -8.360  -0.760  -1.117
  148   HE21  GLN  16          1HE2      GLN  16  -9.201  -2.309   1.576
  149   HE22  GLN  16          2HE2      GLN  16 -10.922  -2.330   1.417
  150    H    ARG  17           H        ARG  17  -6.137  -5.267  -3.057
  151    HA   ARG  17           HA       ARG  17  -7.514  -6.285  -5.057
  152    HB2  ARG  17           2HB      ARG  17  -6.093  -8.528  -4.197
  153    HB3  ARG  17           1HB      ARG  17  -5.558  -7.299  -5.330
  154    HG2  ARG  17           2HG      ARG  17  -4.349  -6.143  -3.682
  155    HG3  ARG  17           1HG      ARG  17  -5.201  -6.950  -2.367
  156    HD2  ARG  17           2HD      ARG  17  -3.183  -8.045  -2.353
  157    HD3  ARG  17           1HD      ARG  17  -4.156  -9.106  -3.371
  158    HE   ARG  17           HE       ARG  17  -2.737  -7.141  -4.885
  159   HH11  ARG  17          1HH1      ARG  17  -2.431 -10.238  -3.303
  160   HH12  ARG  17          2HH1      ARG  17  -1.123 -10.762  -4.310
  161   HH21  ARG  17          1HH2      ARG  17  -1.019  -7.830  -6.209
  162   HH22  ARG  17          2HH2      ARG  17  -0.322  -9.397  -5.961
  163    H    SER  18           H        SER  18  -7.528  -7.578  -1.840
  164    HA   SER  18           HA       SER  18  -8.889  -9.918  -2.008
  165    HB2  SER  18           2HB      SER  18  -8.369  -7.999  -0.010
  166    HB3  SER  18           1HB      SER  18 -10.091  -8.365   0.089
  167    HG   SER  18           HG       SER  18  -9.331 -10.657   0.009
  168    H    SER  19           H        SER  19 -10.160  -6.722  -2.287
  169    HA   SER  19           HA       SER  19 -12.744  -7.803  -3.195
  170    HB2  SER  19           2HB      SER  19 -12.167  -5.778  -1.125
  171    HB3  SER  19           1HB      SER  19 -13.452  -5.354  -2.256
  172    HG   SER  19           HG       SER  19 -14.102  -6.567  -0.334
  173    H    ALA  20           H        ALA  20 -10.057  -5.883  -3.861
  174    HA   ALA  20           HA       ALA  20 -10.877  -3.753  -5.345
  175    HB1  ALA  20           1HB      ALA  20  -8.824  -3.796  -6.456
  176    HB2  ALA  20           2HB      ALA  20  -8.726  -5.555  -6.385
  177    HB3  ALA  20           3HB      ALA  20  -8.510  -4.599  -4.916
  178    H    LYS  21           H        LYS  21 -11.112  -7.084  -6.217
  179    HA   LYS  21           HA       LYS  21 -12.534  -6.322  -8.663
  180    HB2  LYS  21           2HB      LYS  21 -10.892  -8.820  -8.350
  181    HB3  LYS  21           1HB      LYS  21 -11.687  -8.238  -9.805
  182    HG2  LYS  21           2HG      LYS  21 -10.056  -6.144  -9.197
  183    HG3  LYS  21           1HG      LYS  21  -9.090  -7.521  -8.661
  184    HD2  LYS  21           2HD      LYS  21  -8.939  -8.409 -10.783
  185    HD3  LYS  21           1HD      LYS  21 -10.416  -7.616 -11.333
  186    HE2  LYS  21           2HE      LYS  21  -7.752  -6.305 -10.808
  187    HE3  LYS  21           1HE      LYS  21  -8.490  -6.592 -12.384
  188    HZ1  LYS  21           3HZ      LYS  21  -9.288  -4.666 -10.295
  189    HZ2  LYS  21           1HZ      LYS  21 -10.399  -5.178 -11.465
  190    HZ3  LYS  21           2HZ      LYS  21  -8.980  -4.386 -11.935
  191    H    LYS  22           H        LYS  22 -14.106  -6.367  -6.932
  192    HA   LYS  22           HA       LYS  22 -15.262  -9.042  -6.552
  193    HB2  LYS  22           2HB      LYS  22 -14.588  -7.906  -4.448
  194    HB3  LYS  22           1HB      LYS  22 -15.696  -6.596  -4.833
  195    HG2  LYS  22           2HG      LYS  22 -17.292  -8.831  -5.003
  196    HG3  LYS  22           1HG      LYS  22 -16.218  -9.200  -3.654
  197    HD2  LYS  22           2HD      LYS  22 -17.790  -6.641  -3.929
  198    HD3  LYS  22           1HD      LYS  22 -18.316  -8.037  -2.985
  199    HE2  LYS  22           2HE      LYS  22 -15.596  -7.002  -2.444
  200    HE3  LYS  22           1HE      LYS  22 -16.945  -5.988  -1.936
  201    HZ1  LYS  22           3HZ      LYS  22 -15.961  -7.865  -0.396
  202    HZ2  LYS  22           1HZ      LYS  22 -17.056  -8.829  -1.254
  203    HZ3  LYS  22           2HZ      LYS  22 -17.609  -7.486  -0.385
  204    H    LYS  23           H        LYS  23 -15.782  -5.823  -7.679
  205    HA   LYS  23           HA       LYS  23 -18.379  -6.639  -8.748
  206    HB2  LYS  23           2HB      LYS  23 -19.390  -4.511  -8.177
  207    HB3  LYS  23           1HB      LYS  23 -18.788  -5.284  -6.717
  208    HG2  LYS  23           2HG      LYS  23 -16.674  -3.710  -7.593
  209    HG3  LYS  23           1HG      LYS  23 -18.111  -2.724  -7.865
  210    HD2  LYS  23           2HD      LYS  23 -17.830  -4.157  -5.269
  211    HD3  LYS  23           1HD      LYS  23 -16.859  -2.709  -5.544
  212    HE2  LYS  23           2HE      LYS  23 -18.636  -1.546  -4.866
  213    HE3  LYS  23           1HE      LYS  23 -19.381  -1.977  -6.405
  214    HZ1  LYS  23           3HZ      LYS  23 -19.621  -3.543  -3.892
  215    HZ2  LYS  23           1HZ      LYS  23 -20.378  -3.899  -5.364
  216    HZ3  LYS  23           2HZ      LYS  23 -20.804  -2.503  -4.508
  217    H    ARG  24           H        ARG  24 -16.370  -6.854 -10.345
  218    HA   ARG  24           HA       ARG  24 -16.586  -4.535 -12.126
  219    HB2  ARG  24           2HB      ARG  24 -13.974  -5.945 -11.551
  220    HB3  ARG  24           1HB      ARG  24 -14.212  -4.590 -12.644
  221    HG2  ARG  24           2HG      ARG  24 -14.872  -4.358  -9.733
  222    HG3  ARG  24           1HG      ARG  24 -13.223  -4.135 -10.322
  223    HD2  ARG  24           2HD      ARG  24 -13.713  -2.176 -11.362
  224    HD3  ARG  24           1HD      ARG  24 -15.364  -2.665 -11.743
  225    HE   ARG  24           HE       ARG  24 -15.427  -2.366  -9.061
  226   HH11  ARG  24          1HH1      ARG  24 -14.329  -0.301 -11.652
  227   HH12  ARG  24          2HH1      ARG  24 -14.698   1.165 -10.807
  228   HH21  ARG  24          1HH2      ARG  24 -15.910  -0.441  -7.948
  229   HH22  ARG  24          2HH2      ARG  24 -15.595   1.086  -8.703
  Start of MODEL   20
    1    H2   PRO   1           1HT      PRO   1  -2.397  15.216  -4.149
    2    H3   PRO   1           2HT      PRO   1  -1.010  15.962  -4.620
    3    HA   PRO   1           HA       PRO   1  -1.191  15.439  -6.619
    4    HB2  PRO   1           2HB      PRO   1  -2.415  12.898  -6.793
    5    HB3  PRO   1           1HB      PRO   1  -0.703  13.281  -7.014
    6    HG2  PRO   1           2HG      PRO   1  -2.123  12.292  -4.596
    7    HG3  PRO   1           1HG      PRO   1  -0.467  11.974  -5.140
    8    HD2  PRO   1           2HD      PRO   1  -0.935  13.624  -3.098
    9    HD3  PRO   1           1HD      PRO   1   0.336  13.986  -4.282
   10    H    LEU   2           H        LEU   2  -3.891  14.033  -4.755
   11    HA   LEU   2           HA       LEU   2  -5.735  15.540  -6.478
   12    HB2  LEU   2           2HB      LEU   2  -7.390  13.710  -5.956
   13    HB3  LEU   2           1HB      LEU   2  -6.046  13.242  -6.977
   14    HG   LEU   2           HG       LEU   2  -5.814  12.769  -4.063
   15   HD11  LEU   2          1HD1      LEU   2  -7.582  11.252  -5.967
   16   HD12  LEU   2          2HD1      LEU   2  -8.021  11.975  -4.422
   17   HD13  LEU   2          3HD1      LEU   2  -6.972  10.566  -4.468
   18   HD21  LEU   2          3HD2      LEU   2  -4.487  10.918  -4.782
   19   HD22  LEU   2          1HD2      LEU   2  -3.994  12.319  -5.730
   20   HD23  LEU   2          2HD2      LEU   2  -5.041  11.096  -6.447
   21    H    SER   3           H        SER   3  -7.396  13.957  -4.001
   22    HA   SER   3           HA       SER   3  -7.067  16.202  -2.146
   23    HB2  SER   3           2HB      SER   3  -9.213  16.131  -3.797
   24    HB3  SER   3           1HB      SER   3  -9.825  15.171  -2.451
   25    HG   SER   3           HG       SER   3 -10.297  17.226  -1.905
   26    H    ARG   4           H        ARG   4  -8.129  12.962  -2.789
   27    HA   ARG   4           HA       ARG   4  -8.412  12.281   0.010
   28    HB2  ARG   4           2HB      ARG   4  -9.551  10.463  -0.746
   29    HB3  ARG   4           1HB      ARG   4  -9.723  11.475  -2.169
   30    HG2  ARG   4           2HG      ARG   4  -7.456  10.252  -2.851
   31    HG3  ARG   4           1HG      ARG   4  -8.103   9.009  -1.786
   32    HD2  ARG   4           2HD      ARG   4 -10.223   9.928  -3.426
   33    HD3  ARG   4           1HD      ARG   4  -8.830   9.643  -4.467
   34    HE   ARG   4           HE       ARG   4  -9.185   7.413  -4.195
   35   HH11  ARG   4          1HH1      ARG   4 -10.617   9.064  -1.475
   36   HH12  ARG   4          2HH1      ARG   4 -11.236   7.614  -0.761
   37   HH21  ARG   4          1HH2      ARG   4 -10.007   5.507  -3.263
   38   HH22  ARG   4          2HH2      ARG   4 -10.892   5.595  -1.776
   39    H    GLY   5           H        GLY   5  -6.334  11.716  -2.694
   40    HA2  GLY   5           2HA      GLY   5  -4.040  11.221  -2.629
   41    HA3  GLY   5           1HA      GLY   5  -4.219  10.748  -0.940
   42    H    LYS   6           H        LYS   6  -5.791   9.757  -4.015
   43    HA   LYS   6           HA       LYS   6  -6.101   7.090  -3.178
   44    HB2  LYS   6           2HB      LYS   6  -5.937   6.712  -5.827
   45    HB3  LYS   6           1HB      LYS   6  -7.383   7.187  -4.958
   46    HG2  LYS   6           2HG      LYS   6  -7.376   9.280  -5.813
   47    HG3  LYS   6           1HG      LYS   6  -5.617   9.359  -5.902
   48    HD2  LYS   6           2HD      LYS   6  -6.644   9.326  -8.130
   49    HD3  LYS   6           1HD      LYS   6  -5.637   7.905  -7.853
   50    HE2  LYS   6           2HE      LYS   6  -7.965   7.602  -8.940
   51    HE3  LYS   6           1HE      LYS   6  -7.462   6.486  -7.672
   52    HZ1  LYS   6           3HZ      LYS   6  -8.915   7.395  -6.170
   53    HZ2  LYS   6           1HZ      LYS   6  -9.803   7.570  -7.600
   54    HZ3  LYS   6           2HZ      LYS   6  -8.980   8.896  -6.946
   55    H    LYS   7           H        LYS   7  -3.325   8.726  -3.928
   56    HA   LYS   7           HA       LYS   7  -1.686   6.841  -5.170
   57    HB2  LYS   7           2HB      LYS   7  -0.187   7.980  -3.024
   58    HB3  LYS   7           1HB      LYS   7  -0.101   8.364  -4.732
   59    HG2  LYS   7           2HG      LYS   7  -0.561  10.417  -3.876
   60    HG3  LYS   7           1HG      LYS   7  -2.199   9.844  -4.165
   61    HD2  LYS   7           2HD      LYS   7  -1.997  10.867  -1.958
   62    HD3  LYS   7           1HD      LYS   7  -2.366   9.148  -1.830
   63    HE2  LYS   7           2HE      LYS   7  -0.552   8.817  -0.608
   64    HE3  LYS   7           1HE      LYS   7   0.460   9.473  -1.893
   65    HZ1  LYS   7           3HZ      LYS   7   0.406  11.579  -0.973
   66    HZ2  LYS   7           1HZ      LYS   7   0.500  10.593   0.399
   67    HZ3  LYS   7           2HZ      LYS   7  -0.981  11.273  -0.054
   68    H    TRP   8           H        TRP   8  -3.169   6.918  -2.176
   69    HA   TRP   8           HA       TRP   8  -1.631   4.919  -0.809
   70    HB2  TRP   8           2HB      TRP   8  -3.063   5.172   0.988
   71    HB3  TRP   8           1HB      TRP   8  -3.254   6.741   0.215
   72    HD1  TRP   8           HD       TRP   8  -5.401   6.617  -1.705
   73    HE1  TRP   8           1HE      TRP   8  -7.795   5.852  -1.257
   74    HE3  TRP   8           3HE      TRP   8  -4.501   3.648   2.321
   75    HZ2  TRP   8           2HZ      TRP   8  -9.137   4.203   0.611
   76    HZ3  TRP   8           3HZ      TRP   8  -6.388   2.520   3.402
   77    HH2  TRP   8           HH       TRP   8  -8.653   2.771   2.545
   78    H    THR   9           H        THR   9  -4.579   5.150  -2.621
   79    HA   THR   9           HA       THR   9  -5.648   2.639  -2.317
   80    HB   THR   9           HB       THR   9  -6.123   4.856  -3.971
   81    HG1  THR   9           1HG      THR   9  -8.086   3.753  -4.347
   82   HG21  THR   9          3HG2      THR   9  -6.007   2.362  -5.640
   83   HG22  THR   9          1HG2      THR   9  -4.871   3.705  -5.759
   84   HG23  THR   9          2HG2      THR   9  -6.575   3.957  -6.138
   85    H    GLU  10           H        GLU  10  -2.941   3.780  -4.023
   86    HA   GLU  10           HA       GLU  10  -2.353   1.725  -5.782
   87    HB2  GLU  10           2HB      GLU  10  -0.570   3.096  -6.039
   88    HB3  GLU  10           1HB      GLU  10  -1.145   4.017  -4.669
   89    HG2  GLU  10           2HG      GLU  10   1.024   3.546  -4.074
   90    HG3  GLU  10           1HG      GLU  10   0.124   2.289  -3.239
   91    H    LYS  11           H        LYS  11  -1.931   2.039  -2.352
   92    HA   LYS  11           HA       LYS  11  -0.517  -0.387  -1.937
   93    HB2  LYS  11           2HB      LYS  11  -2.145   1.203  -0.007
   94    HB3  LYS  11           1HB      LYS  11  -0.876   0.046   0.383
   95    HG2  LYS  11           2HG      LYS  11   0.802   1.445  -0.387
   96    HG3  LYS  11           1HG      LYS  11  -0.331   2.448  -1.293
   97    HD2  LYS  11           2HD      LYS  11   0.665   2.915   1.291
   98    HD3  LYS  11           1HD      LYS  11  -0.603   3.809   0.453
   99    HE2  LYS  11           2HE      LYS  11  -2.309   2.450   1.410
  100    HE3  LYS  11           1HE      LYS  11  -1.130   1.299   2.036
  101    HZ1  LYS  11           3HZ      LYS  11  -1.381   2.469   3.919
  102    HZ2  LYS  11           1HZ      LYS  11  -1.995   3.836   3.131
  103    HZ3  LYS  11           2HZ      LYS  11  -0.325   3.577   3.198
  104    H    LEU  12           H        LEU  12  -3.819   0.561  -2.102
  105    HA   LEU  12           HA       LEU  12  -4.640  -2.009  -1.044
  106    HB2  LEU  12           2HB      LEU  12  -6.888  -0.595  -1.920
  107    HB3  LEU  12           1HB      LEU  12  -6.446  -1.107  -0.319
  108    HG   LEU  12           HG       LEU  12  -6.434   1.542  -1.512
  109   HD11  LEU  12          1HD1      LEU  12  -7.207   0.116   0.799
  110   HD12  LEU  12          2HD1      LEU  12  -7.635   1.747   0.293
  111   HD13  LEU  12          3HD1      LEU  12  -6.194   1.473   1.268
  112   HD21  LEU  12          3HD2      LEU  12  -4.518   2.095   0.229
  113   HD22  LEU  12          1HD2      LEU  12  -4.152   1.687  -1.437
  114   HD23  LEU  12          2HD2      LEU  12  -3.994   0.474  -0.185
  115    H    ALA  13           H        ALA  13  -4.261  -0.146  -3.830
  116    HA   ALA  13           HA       ALA  13  -5.708  -1.788  -5.629
  117    HB1  ALA  13           1HB      ALA  13  -3.275  -0.032  -6.010
  118    HB2  ALA  13           2HB      ALA  13  -4.941   0.336  -6.461
  119    HB3  ALA  13           3HB      ALA  13  -4.045  -0.910  -7.333
  120    H    ARG  14           H        ARG  14  -2.998  -2.092  -3.582
  121    HA   ARG  14           HA       ARG  14  -2.154  -4.567  -5.000
  122    HB2  ARG  14           2HB      ARG  14  -0.027  -4.294  -3.801
  123    HB3  ARG  14           1HB      ARG  14  -0.392  -2.868  -4.776
  124    HG2  ARG  14           2HG      ARG  14  -0.414  -1.566  -2.982
  125    HG3  ARG  14           1HG      ARG  14  -1.561  -2.625  -2.181
  126    HD2  ARG  14           2HD      ARG  14   0.608  -2.257  -0.999
  127    HD3  ARG  14           1HD      ARG  14   0.097  -3.927  -1.234
  128    HE   ARG  14           HE       ARG  14   2.048  -4.258  -2.357
  129   HH11  ARG  14          1HH1      ARG  14   1.219  -0.876  -2.693
  130   HH12  ARG  14          2HH1      ARG  14   2.626  -0.499  -3.626
  131   HH21  ARG  14          1HH2      ARG  14   3.897  -3.754  -3.574
  132   HH22  ARG  14          2HH2      ARG  14   4.147  -2.129  -4.122
  133    H    PHE  15           H        PHE  15  -3.605  -3.249  -2.147
  134    HA   PHE  15           HA       PHE  15  -3.260  -5.865  -0.844
  135    HB2  PHE  15           2HB      PHE  15  -3.192  -4.860   1.302
  136    HB3  PHE  15           1HB      PHE  15  -2.057  -4.008   0.278
  137    HD1  PHE  15           2HD      PHE  15  -5.724  -3.593   0.959
  138    HD2  PHE  15           1HD      PHE  15  -1.833  -1.894   0.882
  139    HE1  PHE  15           2HE      PHE  15  -6.629  -1.496   1.687
  140    HE2  PHE  15           1HE      PHE  15  -2.722   0.204   1.622
  141    HZ   PHE  15           HZ       PHE  15  -5.139   0.443   2.083
  142    H    GLN  16           H        GLN  16  -5.527  -3.310  -1.513
  143    HA   GLN  16           HA       GLN  16  -7.753  -3.988  -0.120
  144    HB2  GLN  16           2HB      GLN  16  -8.907  -2.739  -1.654
  145    HB3  GLN  16           1HB      GLN  16  -7.275  -2.282  -2.082
  146    HG2  GLN  16           2HG      GLN  16  -7.822  -2.798  -4.160
  147    HG3  GLN  16           1HG      GLN  16  -7.698  -4.480  -3.659
  148   HE21  GLN  16          1HE2      GLN  16 -10.026  -4.474  -1.991
  149   HE22  GLN  16          2HE2      GLN  16 -11.400  -4.393  -3.031
  150    H    ARG  17           H        ARG  17  -6.170  -5.837  -2.503
  151    HA   ARG  17           HA       ARG  17  -7.943  -7.523  -3.625
  152    HB2  ARG  17           2HB      ARG  17  -5.994  -9.283  -3.011
  153    HB3  ARG  17           1HB      ARG  17  -5.866  -8.104  -4.308
  154    HG2  ARG  17           2HG      ARG  17  -4.560  -6.629  -2.937
  155    HG3  ARG  17           1HG      ARG  17  -4.859  -7.616  -1.505
  156    HD2  ARG  17           2HD      ARG  17  -3.138  -8.226  -3.886
  157    HD3  ARG  17           1HD      ARG  17  -2.692  -8.186  -2.183
  158    HE   ARG  17           HE       ARG  17  -3.554 -10.323  -1.919
  159   HH11  ARG  17          1HH1      ARG  17  -4.234  -9.130  -5.134
  160   HH12  ARG  17          2HH1      ARG  17  -4.689 -10.683  -5.744
  161   HH21  ARG  17          1HH2      ARG  17  -4.152 -12.363  -2.732
  162   HH22  ARG  17          2HH2      ARG  17  -4.644 -12.513  -4.386
  163    H    SER  18           H        SER  18  -6.453  -7.959  -0.481
  164    HA   SER  18           HA       SER  18  -8.005 -10.267   0.187
  165    HB2  SER  18           2HB      SER  18  -6.502  -8.481   2.086
  166    HB3  SER  18           1HB      SER  18  -6.962 -10.165   2.333
  167    HG   SER  18           HG       SER  18  -4.738  -9.849   1.690
  168    H    SER  19           H        SER  19  -8.620  -6.947   0.252
  169    HA   SER  19           HA       SER  19 -10.286  -6.705   2.505
  170    HB2  SER  19           2HB      SER  19  -9.382  -4.954   0.685
  171    HB3  SER  19           1HB      SER  19 -11.013  -5.193   0.054
  172    HG   SER  19           HG       SER  19 -11.725  -4.730   2.265
  173    H    ALA  20           H        ALA  20 -10.647  -8.601  -0.204
  174    HA   ALA  20           HA       ALA  20 -13.358  -8.439  -0.831
  175    HB1  ALA  20           1HB      ALA  20 -11.370  -9.838  -1.860
  176    HB2  ALA  20           2HB      ALA  20 -13.051 -10.325  -2.078
  177    HB3  ALA  20           3HB      ALA  20 -12.058 -11.106  -0.846
  178    H    LYS  21           H        LYS  21 -11.726 -10.124   1.738
  179    HA   LYS  21           HA       LYS  21 -14.321 -10.736   2.941
  180    HB2  LYS  21           2HB      LYS  21 -11.854 -12.458   3.014
  181    HB3  LYS  21           1HB      LYS  21 -13.329 -12.755   3.924
  182    HG2  LYS  21           2HG      LYS  21 -13.571 -12.476   0.984
  183    HG3  LYS  21           1HG      LYS  21 -12.822 -13.948   1.608
  184    HD2  LYS  21           2HD      LYS  21 -14.834 -14.169   3.128
  185    HD3  LYS  21           1HD      LYS  21 -15.581 -12.884   2.176
  186    HE2  LYS  21           2HE      LYS  21 -14.625 -14.684   0.288
  187    HE3  LYS  21           1HE      LYS  21 -15.274 -15.701   1.574
  188    HZ1  LYS  21           3HZ      LYS  21 -16.824 -14.885  -0.302
  189    HZ2  LYS  21           1HZ      LYS  21 -16.851 -13.430   0.562
  190    HZ3  LYS  21           2HZ      LYS  21 -17.384 -14.858   1.293
  191    H    LYS  22           H        LYS  22 -13.686  -8.598   3.683
  192    HA   LYS  22           HA       LYS  22 -12.015  -8.726   6.102
  193    HB2  LYS  22           2HB      LYS  22 -11.783  -6.990   3.938
  194    HB3  LYS  22           1HB      LYS  22 -12.573  -6.026   5.178
  195    HG2  LYS  22           2HG      LYS  22 -10.272  -7.603   6.100
  196    HG3  LYS  22           1HG      LYS  22  -9.901  -6.323   4.944
  197    HD2  LYS  22           2HD      LYS  22 -10.864  -4.663   6.352
  198    HD3  LYS  22           1HD      LYS  22 -11.559  -5.884   7.420
  199    HE2  LYS  22           2HE      LYS  22  -9.148  -6.623   7.841
  200    HE3  LYS  22           1HE      LYS  22  -8.679  -5.097   7.093
  201    HZ1  LYS  22           3HZ      LYS  22 -10.116  -5.553   9.623
  202    HZ2  LYS  22           1HZ      LYS  22 -10.304  -4.088   8.797
  203    HZ3  LYS  22           2HZ      LYS  22  -8.770  -4.573   9.322
  204    H    LYS  23           H        LYS  23 -15.171  -8.484   5.014
  205    HA   LYS  23           HA       LYS  23 -16.038  -7.512   7.634
  206    HB2  LYS  23           2HB      LYS  23 -17.941  -6.322   6.451
  207    HB3  LYS  23           1HB      LYS  23 -16.355  -5.580   6.295
  208    HG2  LYS  23           2HG      LYS  23 -16.875  -5.479   4.121
  209    HG3  LYS  23           1HG      LYS  23 -16.384  -7.174   4.107
  210    HD2  LYS  23           2HD      LYS  23 -18.544  -7.939   4.007
  211    HD3  LYS  23           1HD      LYS  23 -19.197  -6.520   4.826
  212    HE2  LYS  23           2HE      LYS  23 -19.880  -5.907   2.781
  213    HE3  LYS  23           1HE      LYS  23 -18.202  -5.425   2.539
  214    HZ1  LYS  23           3HZ      LYS  23 -19.663  -7.677   1.429
  215    HZ2  LYS  23           1HZ      LYS  23 -18.068  -7.999   1.897
  216    HZ3  LYS  23           2HZ      LYS  23 -18.391  -6.778   0.769
  217    H    ARG  24           H        ARG  24 -15.915 -10.060   7.354
  218    HA   ARG  24           HA       ARG  24 -18.340 -11.158   6.194
  219    HB2  ARG  24           2HB      ARG  24 -15.752 -12.155   6.786
  220    HB3  ARG  24           1HB      ARG  24 -16.893 -13.081   7.754
  221    HG2  ARG  24           2HG      ARG  24 -17.660 -12.684   4.943
  222    HG3  ARG  24           1HG      ARG  24 -16.223 -13.673   5.211
  223    HD2  ARG  24           2HD      ARG  24 -17.759 -15.322   5.401
  224    HD3  ARG  24           1HD      ARG  24 -17.836 -14.739   7.062
  225    HE   ARG  24           HE       ARG  24 -19.696 -13.238   5.805
  226   HH11  ARG  24          1HH1      ARG  24 -19.120 -16.677   5.949
  227   HH12  ARG  24          2HH1      ARG  24 -20.792 -17.090   5.762
  228   HH21  ARG  24          1HH2      ARG  24 -21.894 -13.780   5.561
  229   HH22  ARG  24          2HH2      ARG  24 -22.366 -15.446   5.541