*HEADER    TOXIN                                   16-OCT-00   1G1Z              
*TITLE     NMR STRUCTURES OF THE NOVEL CONOTOXIN EVIA FROM CONUS                 
*TITLE    2 ERMINEUS SPECIFIC OF THE MU1 SODIUM CHANNEL RECEPTOR, LEU12-         
*TITLE    3 PRO13 CIS ISOMER                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONOTOXIN EVIA;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: THIS STRUCTURE IS IN EQUILIBRIUM WITH THE             
*COMPND   6 LEU12-PRO13 TRANS ISOMER (1G1P).                                     
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SOLID PHASE SYNTHESIS OF CONOTOXIN EVIA           
*SOURCE   4 WAS CARRIED OUT USING THE F-MOC CHEMISTRY. THE SEQUENCE OF           
*SOURCE   5 THE PEPTIDE IS NATURALLY FOUND IN CONUS ERMINEUS (ATLANTIC           
*SOURCE   6 FISH-HUNTING CONE).                                                  
*KEYWDS    THREE DISULFIDE LINKAGES, CIS/TRANS ISOMERISM OF LEU12-               
*KEYWDS   2 PRO13 PEPTIDE BOND, HYDROXYPROLINE                                   
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    L.VOLPON, H.LAMTHANH, F.LE GALL, A.MENEZ, J.M.LANCELIN                
*REVDAT   1   01-NOV-00 1G1Z    0                                                
remarks   NOE restraints for Conotoxin EVIA
remarks   data from NOESY spectrum at 10C
remarks   r0      dlow      dhigh   for N-H
remarks   2.1      0.3        0.9   (1.8 - 3.0) noe fort
remarks   2.4      0.6        1.2   (1.8 - 3.6) noe moyen
remarks   2.9      1.1        2.4   (1.8 - 5.3) noe faible
remarks   2.9      1.1        3.4   (1.8 - 6.3) noe tres faible

remarks   r0      dlow      dhigh   for C-H
remarks   2.1      0.3        0.6   (1.8 - 2.7) strong noe
remarks   2.4      0.6        0.9   (1.8 - 3.3) medium noe
remarks   2.9      1.1        2.1   (1.8 - 5.0) weak noe
remarks   2.9      1.1        3.1   (1.8 - 6.0) very weak noe

remarks   1.0  added for noe involving methyl groups
remarks   1.0  added for noe involving CH2
remarks   2.0  added for noe involving aromatics hydrogens

remarks   NOE restraints for Asp1 residue
assign (resid  1 and name ha)   (resid  2 and name hn)     2.4  0.6  1.2
assign (resid  1 and name ht*)  (resid  2 and name hn)     2.9  1.1  3.4

remarks   NOE restraints for Asp2 residue
assign (resid  2 and name hn)   (resid  2 and name hb*)    2.9  1.1  3.4

assign (resid  2 and name hn)   (resid  3 and name hn)     2.9  1.1  2.4
assign (resid  2 and name ha)   (resid  3 and name hn)     2.4  0.6  1.2
assign (resid  2 and name ha)   (resid  3 and name hn)     2.4  0.6  1.2
assign (resid  2 and name hb*)  (resid  3 and name hn)     2.9  1.1  4.4

remarks   NOE restraints for Cys3 residue
assign (resid  3 and name ha)   (resid  3 and name hb*)    2.4  0.6  1.9

assign (resid  3 and name ha)   (resid  4 and name hn)     2.4  0.6  1.2

assign (resid  3 and name ha)   (resid  21 and name ha)    2.9  1.1  3.1
assign (resid  3 and name hb*)  (resid  21 and name hn)    2.9  1.1  3.4
assign (resid  3 and name hb*)  (resid  21 and name ha)    2.9  1.1  3.1

remarks   NOE restraints for Ile4 residue
assign (resid  4 and name hn)   (resid  4 and name hb)     2.4  0.6  1.2
assign (resid  4 and name hn)   (resid  4 and name hg1*)   2.4  0.6  2.2
assign (resid  4 and name hn)   (resid  4 and name hg2*)   2.9  1.1  3.4
assign (resid  4 and name ha)   (resid  4 and name hg2*)   2.4  0.6  1.9

assign (resid  4 and name hn)   (resid  5 and name hn)     2.9  1.1  2.4
assign (resid  4 and name ha)   (resid  5 and name hn)     2.1  0.3  0.9
assign (resid  4 and name hg2*) (resid  5 and name hn)     2.4  0.6  2.2

assign (resid  4 and name hg2*) (resid  8 and name hn)     2.9  1.1  3.4
assign (resid  4 and name hg2*) (resid  8 and name ha1)    2.4  0.6  1.9
assign (resid  4 and name hd1*) (resid  10 and name ha)    2.4  0.6  1.9
assign (resid  4 and name hd1*) (resid  10 and name hb*)   2.9  1.1  4.1
assign (resid  4 and name hg2*) (resid  10 and name ha)    2.9  1.1  4.1
assign (resid  4 and name hg2*) (resid  10 and name hb*)   2.9  1.1  5.1
assign (resid  4 and name hd1*) (resid  18 and name hn)    2.9  1.1  4.4
assign (resid  4 and name hn)   (resid  20 and name ha)    2.9  1.1  2.4
assign (resid  4 and name hb)   (resid  20 and name ha)    2.4  0.6  0.9
assign (resid  4 and name hg2*) (resid  20 and name ha)    2.9  1.1  3.1
assign (resid  4 and name hn)   (resid  21 and name hn)    2.9  1.1  2.4
assign (resid  4 and name ha)   (resid  21 and name hn)    2.9  1.1  3.4
assign (resid  4 and name hb)   (resid  21 and name hn)    2.9  1.1  2.4
assign (resid  4 and name hg1*) (resid  21 and name hn)    2.9  1.1  4.4
assign (resid  4 and name hg2*) (resid  21 and name hn)    2.9  1.1  4.4
assign (resid  4 and name hg2*) (resid  29 and name hn)    2.9  1.1  4.4

remarks   NOE restraints for Lys5 residue
assign (resid  5 and name hn)   (resid  5 and name hb*)    2.4  0.6  2.2
assign (resid  5 and name hn)   (resid  5 and name hg*)    2.4  0.6  2.2
assign (resid  5 and name ha)   (resid  5 and name hb*)    2.4  0.6  1.9
assign (resid  5 and name ha)   (resid  5 and name hg*)    2.9  1.1  3.1

assign (resid  5 and name hn)   (resid  6 and name hd*)    2.9  1.1  3.4
assign (resid  5 and name hb*)  (resid  6 and name hd*)    2.4  0.6  2.9

assign (resid  5 and name ha)   (resid  7 and name hn)     2.9  1.1  3.4
assign (resid  5 and name hn)   (resid  8 and name ha*)    2.9  1.1  3.4
assign (resid  5 and name ha)   (resid  21 and name hn)    2.9  1.1  3.4

remarks   NOE restraints for HyP6 residue
assign (resid  6 and name ha)   (resid  6 and name hg1)    2.9  1.1  2.1

assign (resid  6 and name ha)   (resid  7 and name hn)     2.4  0.6  1.2
assign (resid  6 and name hb*)  (resid  7 and name hb*)    2.9  1.1  5.1
assign (resid  6 and name ha)   (resid  8 and name hn)     2.4  0.6  1.2

assign (resid  6 and name hd*)  (resid  20 and name hb1)   2.9  1.1  4.1
assign (resid  6 and name ha)   (resid  29 and name hn)    2.9  1.1  3.4
assign (resid  6 and name ha)   (resid  29 and name hb2)   2.4  0.6  0.9
assign (resid  6 and name ha)   (resid  29 and name hb*)   2.9  1.1  3.1

remarks   NOE restraints for Tyr7 residue
assign (resid  7 and name hn)   (resid  7 and name hb*)    2.9  1.1  3.4
assign (resid  7 and name hn)   (resid  7 and name hd*)    2.9  1.1  4.4
assign (resid  7 and name ha)   (resid  7 and name hb2)    2.4  0.6  0.9
assign (resid  7 and name ha)   (resid  7 and name hb1)    2.9  1.1  2.1

assign (resid  7 and name hn)   (resid  8 and name hn)     2.9  1.1  2.4
assign (resid  7 and name ha)   (resid  8 and name hn)     2.9  1.1  2.4

assign (resid  7 and name he*)  (resid  26 and name hg*)   2.9  1.1  8.5
assign (resid  7 and name hn)   (resid  28 and name hg2*)  2.9  1.1  4.4
assign (resid  7 and name ha)   (resid  28 and name ha)    2.9  1.1  3.1
assign (resid  7 and name ha)   (resid  28 and name hb)    2.4  0.6  0.9
assign (resid  7 and name ha)   (resid  28 and name hg2*)  2.9  1.1  3.1
assign (resid  7 and name ha)   (resid  28 and name hg1*)  2.9  1.1  4.1
assign (resid  7 and name hb*)  (resid  28 and name hg2*)  2.9  1.1  5.1
assign (resid  7 and name hd*)  (resid  28 and name hg2*)  2.4  0.6  3.9
assign (resid  7 and name he*)  (resid  28 and name hg2*)  2.9  1.1  5.1
assign (resid  7 and name hn)   (resid  29 and name hn)    2.9  1.1  2.4
assign (resid  7 and name hn)   (resid  29 and name hb*)   2.9  1.1  3.4
assign (resid  7 and name ha)   (resid  29 and name hn)    2.9  1.1  2.4
assign (resid  7 and name hd*)  (resid  30 and name hb*)   2.9  1.1  5.1
assign (resid  7 and name he*)  (resid  30 and name ha)    2.9  1.1  5.1
assign (resid  7 and name he*)  (resid  30 and name hb*)   2.9  1.1  5.1
assign (resid  7 and name he*)  (resid  31 and name hn)    2.9  1.1  5.4
assign (resid  7 and name he*)  (resid  31 and name hb*)   2.9  1.1  6.1

remarks   NOE restraints for Gly8 residue
assign (resid  8 and name hn)   (resid  8 and name ha*)    2.4  0.6  2.2

assign (resid  8 and name ha*)  (resid  9 and name hn)     2.4  0.6  2.2

assign (resid  8 and name hn)   (resid  29 and name hn)    2.9  1.1  3.4
assign (resid  8 and name hn)   (resid  29 and name hb2)   2.9  1.1  2.4

remarks   NOE restraints for Phe9 residue
assign (resid  9 and name hn)   (resid  9 and name hb*)    2.4  0.6  2.2
assign (resid  9 and name hn)   (resid  9 and name hd*)    2.9  1.1  4.4

assign (resid  9 and name ha)   (resid  10 and name hn)    2.4  0.6  1.2
assign (resid  9 and name hd*)  (resid  10 and name hn)    2.9  1.1  5.4

assign (resid  9 and name hn)   (resid  28 and name hg1*)  2.9  1.1  4.4
assign (resid  9 and name hb*)  (resid  28 and name hg1*)  2.9  1.1  5.1
assign (resid  9 and name hd*)  (resid  28 and name ha)    2.9  1.1  5.1
assign (resid  9 and name hd*)  (resid  28 and name hg1*)  2.9  1.1  5.1

remarks   NOE restraints for Cys10 residue
assign (resid  10 and name hn)  (resid  10 and name hb*)   2.9  1.1  3.4
assign (resid  10 and name ha)  (resid  10 and name hb*)   2.4  0.6  1.9

assign (resid  10 and name hn)  (resid  11 and name hn)    2.9  1.1  2.4
assign (resid  10 and name ha)  (resid  11 and name hn)    2.9  1.1  2.4

assign (resid  10 and name hn)  (resid  28 and name hg2*)  2.9  1.1  4.4
assign (resid  10 and name hn)  (resid  28 and name hg1*)  2.9  1.1  3.4
assign (resid  10 and name hn)  (resid  29 and name hn)    2.9  1.1  3.4

remarks   NOE restraints for Ser11 residue
assign (resid  11 and name hn)  (resid  11 and name hb*)   2.9  1.1  3.4

assign (resid  11 and name ha)  (resid  12 and name hn)    2.9  1.1  2.4
assign (resid  11 and name hb*) (resid  12 and name hn)    2.9  1.1  3.4

remarks   NOE restraints for Leu12 residue
assign (resid  12 and name hn)  (resid  12 and name hb*)   2.9  1.1  3.4
assign (resid  12 and name ha)  (resid  12 and name hb*)   2.9  1.1  3.1

assign (resid  12 and name ha)  (resid  13 and name ha)    2.4  0.6  0.9 ! Leu12-Pro13 cis
assign (resid  12 and name hb*) (resid  13 and name ha)    2.4  0.6  1.9 ! Leu12-Pro13 cis

assign (resid  12 and name hn)  (resid  14 and name hn)    2.9  1.1  3.4
assign (resid  12 and name ha)  (resid  14 and name hn)    2.9  1.1  2.4 ! Leu12-Pro13 cis
assign (resid  12 and name ha)  (resid  14 and name ha)    2.9  1.1  2.1 ! Leu12-Pro13 cis
assign (resid  12 and name ha)  (resid  18 and name hn)    2.9  1.1  3.4

remarks   NOE restraints for Pro13 residue
assign (resid  13 and name hb1) (resid  14 and name hn)    2.4  0.6  1.2 ! Leu12-Pro13 cis
assign (resid  13 and name hb2) (resid  14 and name hn)    2.9  1.1  2.4 ! Leu12-Pro13 cis

assign (resid  13 and name ha)  (resid  15 and name hn)    2.9  1.1  3.4

remarks   NOE restraints for Ile14 residue
assign (resid  14 and name hn)  (resid  14 and name hb)    2.4  0.6  1.6
assign (resid  14 and name hn)  (resid  14 and name hg1*)  2.9  1.1  3.4
assign (resid  14 and name hn)  (resid  14 and name hg2*)  2.9  1.1  3.4 ! Leu12-Pro13 cis

assign (resid  14 and name ha)  (resid  15 and name hn)    2.4  0.6  1.2

assign (resid  14 and name ha)  (resid  17 and name hd22)  2.9  1.1  3.1 ! Leu12-Pro13 cis

remarks   NOE restraints for Leu15 residue
assign (resid  15 and name hn)  (resid  15 and name hb*)   2.4  0.6  2.2 ! Leu12-Pro13 cis
assign (resid  15 and name ha)  (resid  15 and name hb1)   2.4  0.6  0.9
assign (resid  15 and name ha)  (resid  15 and name hb2)   2.9  1.1  2.1

assign (resid  15 and name ha)  (resid  16 and name hn)    2.4  0.6  1.2
assign (resid  15 and name hn)  (resid  17 and name hn)    2.9  1.1  3.4
assign (resid  15 and name hn)  (resid  17 and name hd2*)  2.9  1.1  4.4
assign (resid  15 and name ha)  (resid  17 and name hn)    2.9  1.1  3.4

remarks   NOE restraints for Lys16 residue
assign (resid  16 and name hn)  (resid  16 and name hb*)   2.9  1.1  3.4
assign (resid  16 and name hn)  (resid  16 and name hg*)   2.9  1.1  4.4 ! Leu12-Pro13 cis
assign (resid  16 and name ha)  (resid  16 and name hb*)   2.4  0.6  1.9

assign (resid  16 and name ha)  (resid  17 and name hn)    2.4  0.6  1.2
assign (resid  16 and name hn)  (resid  17 and name hn)    2.9  1.1  2.4

remarks   NOE restraints for Asn17 residue
assign (resid  17 and name hn)  (resid  17 and name hb*)   2.9  1.1  3.4

assign (resid  17 and name hn)  (resid  18 and name hn)    2.9  1.1  2.4
assign (resid  17 and name ha)  (resid  18 and name hn)    2.4  0.6  1.2
assign (resid  17 and name hb*) (resid  18 and name hn)    2.9  1.1  4.4
assign (resid  17 and name hd2*) (resid  18 and name ha2)  2.9  1.1  4.1

remarks   NOE restraints for Gly18 residue
assign (resid  18 and name ha*) (resid  19 and name hn)    2.9  1.1  3.4

remarks   NOE restraints for Leu19 residue
assign (resid  19 and name hn)  (resid  19 and name hb*)   2.9  1.1  3.4
assign (resid  19 and name ha)  (resid  19 and name hb*)   2.9  1.1  3.1

assign (resid  19 and name ha)  (resid  20 and name hn)    2.4  0.6  1.2

remarks   NOE restraints for Cys20 residue
assign (resid  20 and name hn)  (resid  20 and name hb*)   2.9  1.1  3.4
assign (resid  20 and name ha)  (resid  20 and name hb*)   2.9  1.1  3.1

assign (resid  20 and name hn)  (resid  21 and name hn)    2.9  1.1  3.4
assign (resid  20 and name ha)  (resid  21 and name hn)    2.4  0.6  1.2

assign (resid  20 and name ha)  (resid  22 and name hn)    2.9  1.1  2.4
assign (resid  20 and name hb1) (resid  22 and name hn)    2.9  1.1  2.4
assign (resid  20 and name hb*) (resid  22 and name hn)    2.9  1.1  3.4
assign (resid  20 and name hb*) (resid  23 and name hn)    2.9  1.1  3.4
assign (resid  20 and name hb*) (resid  24 and name hn)    2.9  1.1  3.4
assign (resid  20 and name hb*) (resid  29 and name hb*)   2.9  1.1  5.1

remarks   NOE restraints for Cys21 residue
assign (resid  21 and name hn)  (resid  21 and name hb*)   2.4  0.6  2.2
assign (resid  21 and name ha)  (resid  21 and name hb2)   2.9  1.1  2.1
assign (resid  21 and name ha)  (resid  21 and name hb1)   2.4  0.6  0.9

assign (resid  21 and name hn)  (resid  22 and name hn)    2.9  1.1  2.4
assign (resid  21 and name hb*) (resid  22 and name hn)    2.9  1.1  3.4

assign (resid  21 and name hn)  (resid  23 and name hn)    2.9  1.1  3.4
assign (resid  21 and name hn)  (resid  29 and name hb1)   2.9  1.1  3.4

remarks   NOE restraints for Ser22 residue
assign (resid  22 and name hn)  (resid  22 and name hb1)   2.4  0.6  1.2
assign (resid  22 and name hn)  (resid  22 and name hb2)   2.9  1.1  2.4
assign (resid  22 and name ha)  (resid  22 and name hb*)   2.4  0.6  1.9

assign (resid  22 and name ha)  (resid  23 and name hn)    2.4  0.6  1.2
assign (resid  22 and name hb2) (resid  23 and name hn)    2.9  1.1  2.4

remarks   NOE restraints for Gly23 residue
assign (resid  23 and name hn)  (resid  23 and name ha*)   2.4  0.6  2.2

assign (resid  23 and name ha*) (resid  24 and name hn)    2.9  1.1  3.4

assign (resid  23 and name ha*) (resid  31 and name ha)    2.9  1.1  3.1

remarks   NOE restraints for Ala24 residue
assign (resid  24 and name hn)  (resid  25 and name hn)    2.9  1.1  3.4
assign (resid  24 and name ha)  (resid  25 and name hn)    2.4  0.6  1.2
assign (resid  24 and name hb*) (resid  25 and name hn)    2.4  0.6  2.2

assign (resid  24 and name hn)  (resid  30 and name hn)    2.9  1.1  3.4
assign (resid  24 and name ha)  (resid  30 and name hb*)   2.9  1.1  4.1
assign (resid  24 and name hb*) (resid  32 and name hd1*)  2.9  1.1  4.1

remarks   NOE restraints for Cys25 residue
assign (resid  25 and name hn)  (resid  25 and name hb*)   2.4  0.6  2.2

assign (resid  25 and name hn)  (resid  26 and name hg*)   2.9  1.1  6.8
assign (resid  25 and name ha)  (resid  26 and name hn)    2.4  0.6  1.2
assign (resid  25 and name hb*) (resid  26 and name hn)    2.9  1.1  4.4

remarks   NOE restraints for Val26 residue
assign (resid  26 and name hn)  (resid  26 and name hb)    2.9  1.1  2.4
assign (resid  26 and name ha)  (resid  26 and name hb)    2.4  0.6  0.9

assign (resid  26 and name ha)  (resid  27 and name hn)    2.4  0.6  1.2
assign (resid  26 and name hn)  (resid  27 and name hn)    2.9  1.1  2.4
assign (resid  26 and name hb)  (resid  27 and name hn)    2.9  1.1  3.4
assign (resid  26 and name hg*) (resid  27 and name hn)    2.9  1.1  5.8

assign (resid  26 and name hn)  (resid  28 and name hn)    2.9  1.1  2.4
assign (resid  26 and name hn)  (resid  28 and name hg2*)  2.9  1.1  4.4
assign (resid  26 and name hb)  (resid  28 and name hn)    2.9  1.1  3.4
assign (resid  26 and name hg*) (resid  28 and name hn)    2.9  1.1  5.8
assign (resid  26 and name hn)  (resid  29 and name ha)    2.9  1.1  3.4
assign (resid  26 and name hg*) (resid  30 and name hn)    2.9  1.1  6.8
assign (resid  26 and name hg*) (resid  30 and name hn)    2.9  1.1  6.8

remarks   NOE restraints for Gly27 residue
assign (resid  27 and name hn)  (resid  28 and name hn)    2.9  1.1  2.4
assign (resid  27 and name ha*) (resid  28 and name hn)    2.9  1.1  3.4

remarks   NOE restraints for Val28 residue
assign (resid  28 and name hn)  (resid  28 and name hb)    2.9  1.1  3.4
assign (resid  28 and name hn)  (resid  28 and name hg2*)  2.4  0.6  2.2
assign (resid  28 and name hn)  (resid  28 and name hg1*)  2.9  1.1  4.4
assign (resid  28 and name ha)  (resid  28 and name hb)    2.4  0.6  0.9
assign (resid  28 and name ha)  (resid  28 and name hg2*)  2.9  1.1  3.1
assign (resid  28 and name ha)  (resid  28 and name hg1*)  2.4  0.6  1.9

assign (resid  28 and name ha)  (resid  29 and name hn)    2.4  0.6  1.2
assign (resid  28 and name hb)  (resid  29 and name hn)    2.4  0.6  1.2
assign (resid  28 and name hn)  (resid  29 and name hn)    2.9  1.1  3.4
assign (resid  28 and name hg2*) (resid  29 and name hn)   2.9  1.1  3.4
assign (resid  28 and name hg1*) (resid  29 and name hn)   2.9  1.1  3.4
assign (resid  28 and name hg2*) (resid  30 and name ha)   2.9  1.1  4.1
assign (resid  28 and name hg2*) (resid  30 and name hb*)  2.9  1.1  4.1

remarks   NOE restraints for Cys29 residue
assign (resid  29 and name hn)  (resid  29 and name hb*)   2.9  1.1  3.4
assign (resid  29 and name ha)  (resid  29 and name hb1)   2.4  0.6  0.9
assign (resid  29 and name ha)  (resid  29 and name hb2)   2.9  1.1  2.1

assign (resid  29 and name ha)  (resid  30 and name hn)    2.4  0.6  1.2
assign (resid  29 and name ha)  (resid  30 and name hb*)   2.9  1.1  4.1

remarks   NOE restraints for Ala30 residue
assign (resid  30 and name ha)  (resid  31 and name hn)    2.4  0.6  1.2

assign (resid  30 and name hb*) (resid  32 and name hd1*)  2.9  1.1  5.1

remarks   NOE restraints for Asp31 residue
assign (resid  31 and name hn)  (resid  31 and name hb*)   2.9  1.1  3.4

assign (resid  31 and name hn)  (resid  32 and name hn)    2.9  1.1  2.4
assign (resid  31 and name ha)  (resid  32 and name hn)    2.4  0.6  1.2

remarks   NOE restraints for Leu32 residue
assign (resid  32 and name hn)  (resid  32 and name h1)    2.9  1.1  2.4
assign (resid  32 and name hn)  (resid  32 and name h2)    2.9  1.1  3.4
assign (resid  32 and name ha)  (resid  32 and name h1)    2.9  1.1  2.1
assign (resid  32 and name ha)  (resid  32 and name h2)    2.9  1.1  3.1



remarks NOE restraints for Hydrogen bonds
assign  (resid 4  and name hn  )   (resid 19 and name o  ) 1.5 0.0 0.8
assign  (resid 4  and name n   )   (resid 19 and name o  ) 2.5 0.0 0.8
assign  (resid 7  and name hn  )   (resid 29 and name o  ) 1.5 0.0 0.8
assign  (resid 7  and name n   )   (resid 29 and name o  ) 2.5 0.0 0.8
assign  (resid 8  and name hn  )   (resid 5 and name  o  ) 1.5 0.0 0.8
assign  (resid 8  and name n   )   (resid 5 and name  o  ) 2.5 0.0 0.8
assign  (resid 10 and name hn  )   (resid 27 and name o  ) 1.5 0.0 0.8
assign  (resid 10 and name n   )   (resid 27 and name o  ) 2.5 0.0 0.8
assign  (resid 21 and name hn  )   (resid 4 and name  o  ) 1.5 0.0 0.8
assign  (resid 21 and name n   )   (resid 4 and name  o  ) 2.5 0.0 0.8
assign  (resid 23 and name hn  )   (resid 20 and name o  ) 1.5 0.0 0.8
assign  (resid 23 and name n   )   (resid 20 and name o  ) 2.5 0.0 0.8
assign  (resid 24 and name hn  )   (resid 30 and name o  ) 2.0 0.0 0.8
assign  (resid 24 and name n   )   (resid 30 and name o  ) 3.0 0.0 0.8
assign  (resid 26 and name hn  )   (resid 28 and name o  ) 1.5 0.0 0.8
assign  (resid 26 and name n   )   (resid 28 and name o  ) 2.5 0.0 0.8
assign  (resid 28 and name hn  )   (resid 26 and name o  ) 1.6 0.0 0.8
assign  (resid 28 and name n   )   (resid 26 and name o  ) 2.6 0.0 0.8
assign  (resid 29 and name hn  )   (resid 8  and name o  ) 1.5 0.0 0.8
assign  (resid 29 and name n   )   (resid 8  and name o  ) 2.5 0.0 0.8
assign  (resid 30 and name hn  )   (resid 24 and name o  ) 1.5 0.0 0.8
assign  (resid 30 and name n   )   (resid 24 and name o  ) 2.5 0.0 0.8

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1          HT1       ASP   1   5.610  14.120  -2.582
    2   2H    ASP   1          HT2       ASP   1   6.074  12.887  -3.522
    3   3H    ASP   1          HT3       ASP   1   7.078  13.427  -2.351
    4    HA   ASP   1           HA       ASP   1   5.814  11.323  -1.858
    5   1HB   ASP   1          HB2       ASP   1   6.875  12.806  -0.029
    6   2HB   ASP   1          HB1       ASP   1   5.341  13.743   0.040
    7    H    ASP   2           HN       ASP   2   3.422  10.598  -1.205
    8    HA   ASP   2           HA       ASP   2   1.344  12.280  -1.399
    9   1HB   ASP   2          HB2       ASP   2   1.977  12.185  -4.002
   10   2HB   ASP   2          HB1       ASP   2   1.578  10.439  -3.903
   11    H    CYS   3           HN       CYS   3  -0.437  10.031  -2.044
   12    HA   CYS   3           HA       CYS   3   0.664   7.927  -0.316
   13   1HB   CYS   3          HB2       CYS   3  -1.591   7.242   0.252
   14   2HB   CYS   3          HB1       CYS   3  -1.414   8.965   0.676
   15    H    ILE   4           HN       ILE   4  -0.356   5.759  -1.095
   16    HA   ILE   4           HA       ILE   4  -0.318   5.752  -4.028
   17    HB   ILE   4           HB       ILE   4   0.054   3.425  -2.100
   18   1HG1  ILE   4          HG12      ILE   4   2.084   5.253  -3.539
   19   2HG1  ILE   4          HG11      ILE   4   1.863   5.079  -1.767
   20   1HG2  ILE   4          HG21      ILE   4  -0.772   2.807  -4.428
   21   2HG2  ILE   4          HG22      ILE   4   0.890   2.264  -4.142
   22   3HG2  ILE   4          HG23      ILE   4   0.606   3.730  -5.146
   23   1HD1  ILE   4          HD11      ILE   4   3.866   3.865  -2.477
   24   2HD1  ILE   4          HD12      ILE   4   2.939   2.909  -3.673
   25   3HD1  ILE   4          HD13      ILE   4   2.627   2.689  -1.899
   26    H    LYS   5           HN       LYS   5  -1.975   4.475  -5.071
   27    HA   LYS   5           HA       LYS   5  -4.433   5.467  -4.099
   28   1HB   LYS   5          HB2       LYS   5  -3.655   5.789  -6.442
   29   2HB   LYS   5          HB1       LYS   5  -3.612   4.006  -6.689
   30   1HG   LYS   5          HG2       LYS   5  -6.067   3.877  -6.540
   31   2HG   LYS   5          HG1       LYS   5  -6.169   5.623  -6.097
   32   1HD   LYS   5          HD2       LYS   5  -5.263   6.264  -8.314
   33   2HD   LYS   5          HD1       LYS   5  -5.034   4.530  -8.749
   34   1HE   LYS   5          HE2       LYS   5  -7.502   4.144  -8.642
   35   2HE   LYS   5          HE1       LYS   5  -7.769   5.870  -8.159
   36   1HZ   LYS   5          HZ1       LYS   5  -6.526   4.999 -10.678
   37   2HZ   LYS   5          HZ2       LYS   5  -6.878   6.530 -10.243
   38   3HZ   LYS   5          HZ3       LYS   5  -8.076   5.464 -10.503
   39    HA   HYP   6           HA       HYP   6  -5.690   1.514  -2.590
   40   1HB   HYP   6          HB1       HYP   6  -7.949   1.658  -1.777
   41   2HB   HYP   6          HB2       HYP   6  -8.550   2.269  -3.361
   42   1HD   HYP   6          HD1       HYP   6  -7.375   4.528  -4.249
   43   2HD   HYP   6          HD2       HYP   6  -6.217   5.293  -3.077
   44    HOD  HYP   6           HOD      HYP   6  -6.698   3.030  -0.652
   45    HG   HYP   6           HG       HYP   6  -8.511   4.338  -2.045
   46    H    TYR   7           HN       TYR   7  -5.724  -0.581  -3.615
   47    HA   TYR   7           HA       TYR   7  -5.629  -1.986  -5.160
   48   1HB   TYR   7          HB2       TYR   7  -8.179  -0.683  -6.217
   49   2HB   TYR   7          HB1       TYR   7  -7.433  -2.133  -6.985
   50    HD1  TYR   7           HD1      TYR   7  -9.051  -0.900  -3.833
   51    HD2  TYR   7           HD2      TYR   7  -7.337  -4.259  -5.890
   52    HE1  TYR   7           HE1      TYR   7  -9.976  -2.423  -2.119
   53    HE2  TYR   7           HE2      TYR   7  -8.265  -5.779  -4.203
   54    HH   TYR   7           HH       TYR   7  -9.469  -5.981  -2.300
   55    H    GLY   8           HN       GLY   8  -4.139   0.616  -5.436
   56   1HA   GLY   8          HA2       GLY   8  -3.232   0.092  -8.179
   57   2HA   GLY   8          HA1       GLY   8  -2.836   1.505  -7.099
   58    H    PHE   9           HN       PHE   9  -0.594   0.112  -8.028
   59    HA   PHE   9           HA       PHE   9  -0.042  -2.007  -6.115
   60   1HB   PHE   9          HB2       PHE   9   1.450  -1.006  -8.610
   61   2HB   PHE   9          HB1       PHE   9   2.235  -2.080  -7.398
   62    HD1  PHE   9           HD1      PHE   9  -0.778  -1.872  -9.669
   63    HD2  PHE   9           HD2      PHE   9   1.826  -4.378  -7.341
   64    HE1  PHE   9           HE1      PHE   9  -1.860  -3.878 -10.617
   65    HE2  PHE   9           HE2      PHE   9   0.764  -6.387  -8.320
   66    HZ   PHE   9           HZ       PHE   9  -1.089  -6.139  -9.955
   67    H    CYS  10           HN       CYS  10   1.531  -1.883  -4.552
   68    HA   CYS  10           HA       CYS  10   2.806   0.744  -4.155
   69   1HB   CYS  10          HB2       CYS  10   2.973   0.125  -1.684
   70   2HB   CYS  10          HB1       CYS  10   1.356   0.577  -2.268
   71    H    SER  11           HN       SER  11   4.060  -1.719  -2.087
   72    HA   SER  11           HA       SER  11   5.359  -3.140  -4.117
   73   1HB   SER  11          HB2       SER  11   7.717  -2.523  -3.692
   74   2HB   SER  11          HB1       SER  11   6.809  -1.098  -4.291
   75    HG   SER  11           HG       SER  11   6.535  -0.613  -1.916
   76    H    LEU  12           HN       LEU  12   7.527  -3.962  -2.133
   77    HA   LEU  12           HA       LEU  12   6.183  -4.696   0.202
   78   1HB   LEU  12          HB2       LEU  12   7.164  -6.748  -1.920
   79   2HB   LEU  12          HB1       LEU  12   6.978  -7.181  -0.192
   80    HG   LEU  12           HG       LEU  12   4.686  -6.240  -2.013
   81   1HD1  LEU  12          HD11      LEU  12   3.968  -8.627  -2.049
   82   2HD1  LEU  12          HD12      LEU  12   5.431  -9.097  -1.107
   83   3HD1  LEU  12          HD13      LEU  12   5.605  -8.426  -2.774
   84   1HD2  LEU  12          HD21      LEU  12   3.216  -7.169  -0.175
   85   2HD2  LEU  12          HD22      LEU  12   4.182  -5.745   0.349
   86   3HD2  LEU  12          HD23      LEU  12   4.679  -7.409   0.848
   87    HA   PRO  13           HA       PRO  13   7.787  -6.616   1.703
   88   1HB   PRO  13          HB2       PRO  13   9.692  -5.114   3.564
   89   2HB   PRO  13          HB1       PRO  13   9.456  -6.901   3.417
   90   1HG   PRO  13          HG1       PRO  13  11.695  -5.680   2.393
   91   2HG   PRO  13          HG2       PRO  13  10.862  -7.002   1.467
   92   1HD   PRO  13          HD1       PRO  13  10.574  -3.963   1.060
   93   2HD   PRO  13          HD2       PRO  13  10.813  -5.273  -0.184
   94    H    ILE  14           HN       ILE  14   6.090  -6.117   3.355
   95    HA   ILE  14           HA       ILE  14   5.636  -3.242   3.581
   96    HB   ILE  14           HB       ILE  14   3.982  -4.246   2.229
   97   1HG1  ILE  14          HG12      ILE  14   3.484  -2.331   3.816
   98   2HG1  ILE  14          HG11      ILE  14   2.120  -3.270   3.153
   99   1HG2  ILE  14          HG21      ILE  14   4.019  -6.597   2.994
  100   2HG2  ILE  14          HG22      ILE  14   2.356  -5.914   3.057
  101   3HG2  ILE  14          HG23      ILE  14   3.296  -6.125   4.574
  102   1HD1  ILE  14          HD11      ILE  14   3.167  -3.531   6.042
  103   2HD1  ILE  14          HD12      ILE  14   1.816  -4.480   5.312
  104   3HD1  ILE  14          HD13      ILE  14   1.673  -2.698   5.497
  105    H    LEU  15           HN       LEU  15   6.510  -2.599   5.398
  106    HA   LEU  15           HA       LEU  15   5.258  -3.673   7.755
  107   1HB   LEU  15          HB2       LEU  15   8.306  -2.978   7.673
  108   2HB   LEU  15          HB1       LEU  15   7.305  -3.105   9.152
  109    HG   LEU  15           HG       LEU  15   6.833  -5.568   8.342
  110   1HD1  LEU  15          HD11      LEU  15   9.510  -5.025   6.886
  111   2HD1  LEU  15          HD12      LEU  15   7.949  -5.462   6.105
  112   3HD1  LEU  15          HD13      LEU  15   8.770  -6.643   7.180
  113   1HD2  LEU  15          HD21      LEU  15   8.813  -6.349   9.643
  114   2HD2  LEU  15          HD22      LEU  15   8.024  -4.937  10.431
  115   3HD2  LEU  15          HD23      LEU  15   9.559  -4.715   9.509
  116    H    LYS  16           HN       LYS  16   7.672  -1.401   6.442
  117    HA   LYS  16           HA       LYS  16   5.733   0.750   6.622
  118   1HB   LYS  16          HB2       LYS  16   7.743   1.181   8.121
  119   2HB   LYS  16          HB1       LYS  16   8.845   0.831   6.758
  120   1HG   LYS  16          HG2       LYS  16   6.804   3.161   6.725
  121   2HG   LYS  16          HG1       LYS  16   8.426   3.259   7.488
  122   1HD   LYS  16          HD2       LYS  16   9.410   2.482   5.211
  123   2HD   LYS  16          HD1       LYS  16   7.824   2.937   4.507
  124   1HE   LYS  16          HE2       LYS  16   9.737   4.786   6.094
  125   2HE   LYS  16          HE1       LYS  16   9.460   4.805   4.304
  126   1HZ   LYS  16          HZ1       LYS  16   8.215   6.479   5.447
  127   2HZ   LYS  16          HZ2       LYS  16   7.435   5.381   6.359
  128   3HZ   LYS  16          HZ3       LYS  16   7.197   5.417   4.749
  129    H    ASN  17           HN       ASN  17   5.753   1.682   4.309
  130    HA   ASN  17           HA       ASN  17   7.453   0.623   2.429
  131   1HB   ASN  17          HB2       ASN  17   5.697  -1.378   2.673
  132   2HB   ASN  17          HB1       ASN  17   4.491  -0.228   1.997
  133   1HD2  ASN  17          HD21      ASN  17   7.393  -2.243   1.341
  134   2HD2  ASN  17          HD22      ASN  17   7.545  -1.831  -0.354
  135    H    GLY  18           HN       GLY  18   5.630   1.458   0.298
  136   1HA   GLY  18          HA2       GLY  18   5.371   4.270   0.906
  137   2HA   GLY  18          HA1       GLY  18   4.964   3.367  -0.618
  138    H    LEU  19           HN       LEU  19   3.388   5.268   1.462
  139    HA   LEU  19           HA       LEU  19   1.724   3.323   2.743
  140   1HB   LEU  19          HB2       LEU  19   1.676   6.406   2.867
  141   2HB   LEU  19          HB1       LEU  19   0.697   5.297   3.880
  142    HG   LEU  19           HG       LEU  19   2.430   6.114   5.229
  143   1HD1  LEU  19          HD11      LEU  19   1.921   3.679   5.521
  144   2HD1  LEU  19          HD12      LEU  19   3.599   4.102   6.019
  145   3HD1  LEU  19          HD13      LEU  19   3.324   3.256   4.458
  146   1HD2  LEU  19          HD21      LEU  19   4.056   6.893   3.475
  147   2HD2  LEU  19          HD22      LEU  19   4.657   5.191   3.317
  148   3HD2  LEU  19          HD23      LEU  19   4.819   6.059   4.876
  149    H    CYS  20           HN       CYS  20  -0.402   2.873   2.231
  150    HA   CYS  20           HA       CYS  20  -1.373   4.051  -0.248
  151   1HB   CYS  20          HB2       CYS  20  -2.556   1.840   1.520
  152   2HB   CYS  20          HB1       CYS  20  -3.183   2.359  -0.079
  153    H    CYS  21           HN       CYS  21  -3.436   5.185  -0.324
  154    HA   CYS  21           HA       CYS  21  -3.904   6.745   1.989
  155   1HB   CYS  21          HB2       CYS  21  -5.181   6.548  -0.737
  156   2HB   CYS  21          HB1       CYS  21  -6.231   7.168   0.562
  157    H    SER  22           HN       SER  22  -5.420   3.693   0.893
  158    HA   SER  22           HA       SER  22  -7.372   3.864   3.021
  159   1HB   SER  22          HB2       SER  22  -7.938   1.487   2.127
  160   2HB   SER  22          HB1       SER  22  -8.267   2.894   1.061
  161    HG   SER  22           HG       SER  22  -6.418   0.852   0.820
  162    H    GLY  23           HN       GLY  23  -4.091   3.388   3.069
  163   1HA   GLY  23          HA2       GLY  23  -3.041   2.943   4.951
  164   2HA   GLY  23          HA1       GLY  23  -4.430   1.965   5.566
  165    H    ALA  24           HN       ALA  24  -4.764   0.004   3.673
  166    HA   ALA  24           HA       ALA  24  -2.459  -1.534   4.526
  167   1HB   ALA  24          HB1       ALA  24  -4.718  -2.579   4.776
  168   2HB   ALA  24          HB2       ALA  24  -3.654  -3.546   3.698
  169   3HB   ALA  24          HB3       ALA  24  -4.936  -2.504   2.990
  170    H    CYS  25           HN       CYS  25  -1.010  -2.748   3.128
  171    HA   CYS  25           HA       CYS  25  -1.051  -2.190   0.323
  172   1HB   CYS  25          HB2       CYS  25   0.563  -0.416   1.146
  173   2HB   CYS  25          HB1       CYS  25   1.200  -1.545   2.348
  174    H    VAL  26           HN       VAL  26  -0.475  -4.242  -0.511
  175    HA   VAL  26           HA       VAL  26   1.242  -5.960   0.935
  176    HB   VAL  26           HB       VAL  26  -0.722  -6.627   2.140
  177   1HG1  VAL  26          HG11      VAL  26  -2.808  -7.400   1.114
  178   2HG1  VAL  26          HG12      VAL  26  -2.173  -7.119  -0.542
  179   3HG1  VAL  26          HG13      VAL  26  -2.467  -5.726   0.569
  180   1HG2  VAL  26          HG21      VAL  26  -0.106  -8.753  -0.010
  181   2HG2  VAL  26          HG22      VAL  26  -0.780  -9.028   1.632
  182   3HG2  VAL  26          HG23      VAL  26   0.898  -8.401   1.447
  183    H    GLY  27           HN       GLY  27   2.008  -4.652  -1.122
  184   1HA   GLY  27          HA2       GLY  27   2.873  -5.066  -3.139
  185   2HA   GLY  27          HA1       GLY  27   1.748  -6.458  -3.391
  186    H    VAL  28           HN       VAL  28  -0.675  -5.561  -3.083
  187    HA   VAL  28           HA       VAL  28  -1.001  -3.152  -4.750
  188    HB   VAL  28           HB       VAL  28  -3.441  -3.839  -4.826
  189   1HG1  VAL  28          HG11      VAL  28  -1.853  -4.068  -6.729
  190   2HG1  VAL  28          HG12      VAL  28  -3.001  -5.455  -6.700
  191   3HG1  VAL  28          HG13      VAL  28  -1.308  -5.671  -6.118
  192   1HG2  VAL  28          HG21      VAL  28  -2.301  -6.556  -3.814
  193   2HG2  VAL  28          HG22      VAL  28  -3.974  -6.230  -4.375
  194   3HG2  VAL  28          HG23      VAL  28  -3.374  -5.453  -2.870
  195    H    CYS  29           HN       CYS  29  -2.526  -1.585  -3.892
  196    HA   CYS  29           HA       CYS  29  -2.452  -1.439  -0.975
  197   1HB   CYS  29          HB2       CYS  29  -3.670   0.330  -3.166
  198   2HB   CYS  29          HB1       CYS  29  -3.845   0.690  -1.414
  199    H    ALA  30           HN       ALA  30  -4.395  -1.545   0.330
  200    HA   ALA  30           HA       ALA  30  -6.852  -2.222  -1.047
  201   1HB   ALA  30          HB1       ALA  30  -5.520  -4.249   0.890
  202   2HB   ALA  30          HB2       ALA  30  -5.687  -4.490  -0.886
  203   3HB   ALA  30          HB3       ALA  30  -7.156  -4.419   0.129
  204    H    ASP  31           HN       ASP  31  -7.790  -3.379   1.624
  205    HA   ASP  31           HA       ASP  31  -7.218  -1.333   3.494
  206   1HB   ASP  31          HB2       ASP  31  -9.679  -1.192   4.157
  207   2HB   ASP  31          HB1       ASP  31  -9.331  -0.332   2.620
  208    H    LEU  32           HN       LEU  32  -8.042  -2.554   5.651
  209    HA   LEU  32           HA       LEU  32  -8.639  -5.255   5.371
  210   1HB   LEU  32          HB2       LEU  32  -5.954  -4.305   6.629
  211   2HB   LEU  32          HB1       LEU  32  -6.733  -5.864   7.059
  212    HG   LEU  32           HG       LEU  32  -5.727  -5.132   4.244
  213   1HD1  LEU  32          HD11      LEU  32  -4.374  -6.885   6.393
  214   2HD1  LEU  32          HD12      LEU  32  -3.830  -5.259   5.838
  215   3HD1  LEU  32          HD13      LEU  32  -3.812  -6.651   4.697
  216   1HD2  LEU  32          HD21      LEU  32  -6.692  -7.830   5.405
  217   2HD2  LEU  32          HD22      LEU  32  -5.934  -7.589   3.787
  218   3HD2  LEU  32          HD23      LEU  32  -7.520  -6.834   4.145
  219   1HN   NH2  33          H1        NH2  33  -9.498  -4.262   8.827
  220   2HN   NH2  33          H2        NH2  33  -9.060  -5.671   7.923
  Start of MODEL    2
    1   1H    ASP   1          HT1       ASP   1  -3.597  15.999   0.800
    2   2H    ASP   1          HT2       ASP   1  -3.947  14.591   0.048
    3   3H    ASP   1          HT3       ASP   1  -3.146  15.750  -0.760
    4    HA   ASP   1           HA       ASP   1  -1.283  15.562   0.759
    5   1HB   ASP   1          HB2       ASP   1  -2.865  13.008   1.580
    6   2HB   ASP   1          HB1       ASP   1  -1.120  13.265   1.949
    7    H    ASP   2           HN       ASP   2  -0.479  12.515   0.282
    8    HA   ASP   2           HA       ASP   2  -1.009  12.179  -2.468
    9   1HB   ASP   2          HB2       ASP   2   1.861  12.415  -1.262
   10   2HB   ASP   2          HB1       ASP   2   1.497  11.639  -2.848
   11    H    CYS   3           HN       CYS   3  -0.397   9.676  -2.625
   12    HA   CYS   3           HA       CYS   3   0.431   8.284  -0.461
   13   1HB   CYS   3          HB2       CYS   3  -1.770   7.125   0.094
   14   2HB   CYS   3          HB1       CYS   3  -1.750   8.808   0.683
   15    H    ILE   4           HN       ILE   4  -0.473   5.913  -1.315
   16    HA   ILE   4           HA       ILE   4  -0.461   6.049  -4.232
   17    HB   ILE   4           HB       ILE   4  -0.150   3.635  -2.391
   18   1HG1  ILE   4          HG12      ILE   4   1.870   5.454  -3.822
   19   2HG1  ILE   4          HG11      ILE   4   1.707   5.244  -2.058
   20   1HG2  ILE   4          HG21      ILE   4  -1.003   3.027  -4.686
   21   2HG2  ILE   4          HG22      ILE   4   0.667   2.489  -4.449
   22   3HG2  ILE   4          HG23      ILE   4   0.360   3.959  -5.436
   23   1HD1  ILE   4          HD11      ILE   4   2.681   3.087  -4.030
   24   2HD1  ILE   4          HD12      ILE   4   2.362   2.829  -2.263
   25   3HD1  ILE   4          HD13      ILE   4   3.628   3.988  -2.808
   26    H    LYS   5           HN       LYS   5  -2.058   4.715  -5.302
   27    HA   LYS   5           HA       LYS   5  -4.596   5.659  -4.515
   28   1HB   LYS   5          HB2       LYS   5  -3.681   5.675  -6.878
   29   2HB   LYS   5          HB1       LYS   5  -3.649   3.879  -6.856
   30   1HG   LYS   5          HG2       LYS   5  -6.134   3.825  -6.685
   31   2HG   LYS   5          HG1       LYS   5  -6.187   5.626  -6.717
   32   1HD   LYS   5          HD2       LYS   5  -5.074   5.599  -8.974
   33   2HD   LYS   5          HD1       LYS   5  -5.006   3.803  -8.918
   34   1HE   LYS   5          HE2       LYS   5  -7.575   5.539  -8.999
   35   2HE   LYS   5          HE1       LYS   5  -6.878   4.564 -10.354
   36   1HZ   LYS   5          HZ1       LYS   5  -7.274   2.609  -9.044
   37   2HZ   LYS   5          HZ2       LYS   5  -8.657   3.450  -9.239
   38   3HZ   LYS   5          HZ3       LYS   5  -7.881   3.477  -7.812
   39    HA   HYP   6           HA       HYP   6  -5.675   1.717  -2.733
   40   1HB   HYP   6          HB1       HYP   6  -7.948   1.742  -1.965
   41   2HB   HYP   6          HB2       HYP   6  -8.533   2.462  -3.515
   42   1HD   HYP   6          HD1       HYP   6  -7.321   4.875  -4.195
   43   2HD   HYP   6          HD2       HYP   6  -6.075   5.382  -2.975
   44    HOD  HYP   6           HOD      HYP   6  -6.662   2.980  -0.764
   45    HG   HYP   6           HG       HYP   6  -8.468   4.445  -2.059
   46    H    TYR   7           HN       TYR   7  -5.687  -0.357  -3.629
   47    HA   TYR   7           HA       TYR   7  -5.377  -1.815  -5.047
   48   1HB   TYR   7          HB2       TYR   7  -7.895  -0.865  -6.490
   49   2HB   TYR   7          HB1       TYR   7  -7.063  -2.453  -6.741
   50    HD1  TYR   7           HD1      TYR   7  -6.685  -3.963  -4.704
   51    HD2  TYR   7           HD2      TYR   7  -9.349  -0.597  -4.604
   52    HE1  TYR   7           HE1      TYR   7  -7.723  -4.851  -2.642
   53    HE2  TYR   7           HE2      TYR   7 -10.397  -1.473  -2.558
   54    HH   TYR   7           HH       TYR   7 -10.278  -3.062  -0.889
   55    H    GLY   8           HN       GLY   8  -3.906   0.637  -5.421
   56   1HA   GLY   8          HA2       GLY   8  -3.003   0.055  -8.169
   57   2HA   GLY   8          HA1       GLY   8  -2.609   1.505  -7.144
   58    H    PHE   9           HN       PHE   9  -0.361   0.138  -8.023
   59    HA   PHE   9           HA       PHE   9   0.246  -2.038  -6.230
   60   1HB   PHE   9          HB2       PHE   9   2.186  -0.566  -8.140
   61   2HB   PHE   9          HB1       PHE   9   2.423  -2.178  -7.383
   62    HD1  PHE   9           HD1      PHE   9   0.295  -3.885  -7.978
   63    HD2  PHE   9           HD2      PHE   9   1.761  -0.622 -10.376
   64    HE1  PHE   9           HE1      PHE   9  -0.537  -5.002 -10.031
   65    HE2  PHE   9           HE2      PHE   9   0.921  -1.742 -12.409
   66    HZ   PHE   9           HZ       PHE   9  -0.212  -3.940 -12.240
   67    H    CYS  10           HN       CYS  10   1.479  -1.801  -4.329
   68    HA   CYS  10           HA       CYS  10   2.647   0.894  -3.894
   69   1HB   CYS  10          HB2       CYS  10   2.335   0.382  -1.408
   70   2HB   CYS  10          HB1       CYS  10   0.868   0.720  -2.354
   71    H    SER  11           HN       SER  11   3.262  -2.569  -4.122
   72    HA   SER  11           HA       SER  11   5.520  -2.548  -2.429
   73   1HB   SER  11          HB2       SER  11   5.908  -4.787  -3.797
   74   2HB   SER  11          HB1       SER  11   4.485  -4.661  -2.716
   75    HG   SER  11           HG       SER  11   4.027  -5.437  -4.851
   76    H    LEU  12           HN       LEU  12   5.258  -2.986  -6.094
   77    HA   LEU  12           HA       LEU  12   7.143  -1.063  -6.570
   78   1HB   LEU  12          HB2       LEU  12   8.926  -2.443  -7.563
   79   2HB   LEU  12          HB1       LEU  12   8.724  -2.921  -5.870
   80    HG   LEU  12           HG       LEU  12   9.216  -4.847  -7.065
   81   1HD1  LEU  12          HD11      LEU  12   6.175  -5.090  -6.669
   82   2HD1  LEU  12          HD12      LEU  12   7.435  -5.249  -5.386
   83   3HD1  LEU  12          HD13      LEU  12   7.378  -6.432  -6.744
   84   1HD2  LEU  12          HD21      LEU  12   8.222  -5.774  -9.044
   85   2HD2  LEU  12          HD22      LEU  12   8.699  -4.072  -9.388
   86   3HD2  LEU  12          HD23      LEU  12   6.962  -4.498  -9.123
   87    HA   PRO  13           HA       PRO  13   8.167  -1.454  -9.317
   88   1HB   PRO  13          HB2       PRO  13   6.479   0.160 -11.286
   89   2HB   PRO  13          HB1       PRO  13   7.964  -0.816 -11.612
   90   1HG   PRO  13          HG1       PRO  13   5.493  -1.760 -12.341
   91   2HG   PRO  13          HG2       PRO  13   6.710  -2.877 -11.592
   92   1HD   PRO  13          HD1       PRO  13   4.375  -1.452 -10.177
   93   2HD   PRO  13          HD2       PRO  13   4.884  -3.198 -10.086
   94    H    ILE  14           HN       ILE  14   9.099   0.841  -9.472
   95    HA   ILE  14           HA       ILE  14   7.926   2.436  -7.431
   96    HB   ILE  14           HB       ILE  14  10.249   2.296  -7.337
   97   1HG1  ILE  14          HG12      ILE  14  11.095   4.597  -7.613
   98   2HG1  ILE  14          HG11      ILE  14   9.672   5.048  -8.599
   99   1HG2  ILE  14          HG21      ILE  14  10.361   3.071 -10.324
  100   2HG2  ILE  14          HG22      ILE  14  10.779   1.471  -9.599
  101   3HG2  ILE  14          HG23      ILE  14  11.775   2.910  -9.226
  102   1HD1  ILE  14          HD11      ILE  14   9.477   5.862  -6.252
  103   2HD1  ILE  14          HD12      ILE  14   9.589   4.175  -5.625
  104   3HD1  ILE  14          HD13      ILE  14   8.168   4.689  -6.616
  105    H    LEU  15           HN       LEU  15   5.956   3.138  -8.093
  106    HA   LEU  15           HA       LEU  15   6.122   5.336 -10.051
  107   1HB   LEU  15          HB2       LEU  15   3.572   3.934  -8.939
  108   2HB   LEU  15          HB1       LEU  15   3.588   5.440  -9.906
  109    HG   LEU  15           HG       LEU  15   2.880   3.761 -11.351
  110   1HD1  LEU  15          HD11      LEU  15   4.584   5.327 -12.343
  111   2HD1  LEU  15          HD12      LEU  15   4.511   3.738 -13.181
  112   3HD1  LEU  15          HD13      LEU  15   5.868   4.093 -12.052
  113   1HD2  LEU  15          HD21      LEU  15   5.271   1.959 -10.629
  114   2HD2  LEU  15          HD22      LEU  15   3.959   1.593 -11.813
  115   3HD2  LEU  15          HD23      LEU  15   3.574   1.755 -10.060
  116    H    LYS  16           HN       LYS  16   4.751   4.165  -6.929
  117    HA   LYS  16           HA       LYS  16   6.428   6.060  -5.723
  118   1HB   LYS  16          HB2       LYS  16   3.437   5.723  -5.029
  119   2HB   LYS  16          HB1       LYS  16   4.650   6.321  -3.836
  120   1HG   LYS  16          HG2       LYS  16   5.072   8.321  -5.312
  121   2HG   LYS  16          HG1       LYS  16   3.904   7.664  -6.502
  122   1HD   LYS  16          HD2       LYS  16   2.747   9.386  -5.289
  123   2HD   LYS  16          HD1       LYS  16   2.064   7.807  -4.788
  124   1HE   LYS  16          HE2       LYS  16   2.275   9.266  -2.823
  125   2HE   LYS  16          HE1       LYS  16   3.461   7.914  -2.652
  126   1HZ   LYS  16          HZ1       LYS  16   5.139   9.437  -3.441
  127   2HZ   LYS  16          HZ2       LYS  16   4.404  10.026  -2.112
  128   3HZ   LYS  16          HZ3       LYS  16   4.056  10.645  -3.576
  129    H    ASN  17           HN       ASN  17   6.742   4.879  -3.616
  130    HA   ASN  17           HA       ASN  17   5.786   2.117  -3.536
  131   1HB   ASN  17          HB2       ASN  17   8.240   1.823  -4.010
  132   2HB   ASN  17          HB1       ASN  17   8.631   3.230  -2.968
  133   1HD2  ASN  17          HD22      ASN  17   7.169  -0.155  -2.714
  134   2HD2  ASN  17          HD21      ASN  17   7.644  -0.358  -1.062
  135    H    GLY  18           HN       GLY  18   5.006   1.815  -1.321
  136   1HA   GLY  18          HA2       GLY  18   5.469   2.423   0.921
  137   2HA   GLY  18          HA1       GLY  18   5.476   4.158   0.442
  138    H    LEU  19           HN       LEU  19   3.722   5.139   1.284
  139    HA   LEU  19           HA       LEU  19   1.793   3.594   2.530
  140   1HB   LEU  19          HB2       LEU  19   2.758   5.769   3.404
  141   2HB   LEU  19          HB1       LEU  19   1.911   6.638   2.092
  142    HG   LEU  19           HG       LEU  19  -0.306   5.878   3.069
  143   1HD1  LEU  19          HD11      LEU  19   0.398   3.850   4.332
  144   2HD1  LEU  19          HD12      LEU  19  -0.390   5.046   5.419
  145   3HD1  LEU  19          HD13      LEU  19   1.402   4.860   5.439
  146   1HD2  LEU  19          HD21      LEU  19  -0.293   7.483   4.954
  147   2HD2  LEU  19          HD22      LEU  19   0.599   8.127   3.530
  148   3HD2  LEU  19          HD23      LEU  19   1.506   7.502   4.966
  149    H    CYS  20           HN       CYS  20  -0.236   2.993   1.993
  150    HA   CYS  20           HA       CYS  20  -1.486   3.981  -0.438
  151   1HB   CYS  20          HB2       CYS  20  -2.337   1.900   1.684
  152   2HB   CYS  20          HB1       CYS  20  -3.219   2.228   0.166
  153    H    CYS  21           HN       CYS  21  -3.531   5.153  -0.356
  154    HA   CYS  21           HA       CYS  21  -3.948   6.654   2.002
  155   1HB   CYS  21          HB2       CYS  21  -5.395   6.387  -0.639
  156   2HB   CYS  21          HB1       CYS  21  -6.390   6.928   0.734
  157    H    SER  22           HN       SER  22  -5.433   3.602   0.838
  158    HA   SER  22           HA       SER  22  -7.210   3.570   3.103
  159   1HB   SER  22          HB2       SER  22  -7.854   1.324   2.042
  160   2HB   SER  22          HB1       SER  22  -8.143   2.800   1.053
  161    HG   SER  22           HG       SER  22  -6.244   0.769   0.785
  162    H    GLY  23           HN       GLY  23  -3.969   3.330   3.098
  163   1HA   GLY  23          HA2       GLY  23  -2.874   2.834   4.914
  164   2HA   GLY  23          HA1       GLY  23  -4.211   1.783   5.503
  165    H    ALA  24           HN       ALA  24  -4.437  -0.278   3.835
  166    HA   ALA  24           HA       ALA  24  -1.982  -1.551   4.686
  167   1HB   ALA  24          HB1       ALA  24  -3.104  -3.710   4.179
  168   2HB   ALA  24          HB2       ALA  24  -4.465  -2.825   3.400
  169   3HB   ALA  24          HB3       ALA  24  -4.177  -2.659   5.170
  170    H    CYS  25           HN       CYS  25  -0.416  -2.603   3.351
  171    HA   CYS  25           HA       CYS  25  -0.813  -2.326   0.461
  172   1HB   CYS  25          HB2       CYS  25   1.029  -0.744   1.253
  173   2HB   CYS  25          HB1       CYS  25   1.785  -2.093   2.144
  174    H    VAL  26           HN       VAL  26  -0.840  -4.437  -0.371
  175    HA   VAL  26           HA       VAL  26   0.814  -6.411   0.944
  176    HB   VAL  26           HB       VAL  26  -1.224  -6.752   2.176
  177   1HG1  VAL  26          HG11      VAL  26  -2.872  -5.654   0.723
  178   2HG1  VAL  26          HG12      VAL  26  -3.386  -7.337   1.073
  179   3HG1  VAL  26          HG13      VAL  26  -2.695  -6.941  -0.536
  180   1HG2  VAL  26          HG21      VAL  26  -0.950  -8.974   0.058
  181   2HG2  VAL  26          HG22      VAL  26  -1.563  -9.118   1.746
  182   3HG2  VAL  26          HG23      VAL  26   0.165  -8.722   1.452
  183    H    GLY  27           HN       GLY  27   1.583  -5.044  -1.049
  184   1HA   GLY  27          HA2       GLY  27   2.469  -5.531  -3.079
  185   2HA   GLY  27          HA1       GLY  27   1.127  -6.678  -3.440
  186    H    VAL  28           HN       VAL  28  -1.087  -5.559  -3.137
  187    HA   VAL  28           HA       VAL  28  -1.102  -3.041  -4.634
  188    HB   VAL  28           HB       VAL  28  -3.539  -3.426  -4.911
  189   1HG1  VAL  28          HG11      VAL  28  -1.893  -4.072  -6.659
  190   2HG1  VAL  28          HG12      VAL  28  -3.281  -5.220  -6.637
  191   3HG1  VAL  28          HG13      VAL  28  -1.701  -5.704  -5.912
  192   1HG2  VAL  28          HG21      VAL  28  -4.485  -5.697  -4.381
  193   2HG2  VAL  28          HG22      VAL  28  -3.983  -4.839  -2.893
  194   3HG2  VAL  28          HG23      VAL  28  -2.957  -6.164  -3.566
  195    H    CYS  29           HN       CYS  29  -2.528  -1.407  -3.774
  196    HA   CYS  29           HA       CYS  29  -2.480  -1.241  -0.896
  197   1HB   CYS  29          HB2       CYS  29  -3.738   0.469  -3.126
  198   2HB   CYS  29          HB1       CYS  29  -3.957   0.865  -1.385
  199    H    ALA  30           HN       ALA  30  -4.073  -1.874   0.466
  200    HA   ALA  30           HA       ALA  30  -6.722  -2.443  -0.708
  201   1HB   ALA  30          HB1       ALA  30  -6.874  -4.525   0.674
  202   2HB   ALA  30          HB2       ALA  30  -5.196  -4.254   1.292
  203   3HB   ALA  30          HB3       ALA  30  -5.475  -4.660  -0.435
  204    H    ASP  31           HN       ASP  31  -7.426  -3.379   2.116
  205    HA   ASP  31           HA       ASP  31  -6.800  -1.190   3.777
  206   1HB   ASP  31          HB2       ASP  31  -9.282  -1.054   4.533
  207   2HB   ASP  31          HB1       ASP  31  -8.926  -0.230   2.985
  208    H    LEU  32           HN       LEU  32  -7.821  -2.243   6.038
  209    HA   LEU  32           HA       LEU  32  -8.190  -5.022   5.886
  210   1HB   LEU  32          HB2       LEU  32  -5.803  -3.656   7.334
  211   2HB   LEU  32          HB1       LEU  32  -6.522  -5.171   7.971
  212    HG   LEU  32           HG       LEU  32  -5.313  -4.937   5.161
  213   1HD1  LEU  32          HD11      LEU  32  -3.295  -6.129   6.128
  214   2HD1  LEU  32          HD12      LEU  32  -3.977  -5.893   7.775
  215   3HD1  LEU  32          HD13      LEU  32  -3.523  -4.463   6.778
  216   1HD2  LEU  32          HD21      LEU  32  -6.930  -6.834   5.446
  217   2HD2  LEU  32          HD22      LEU  32  -5.980  -7.430   6.859
  218   3HD2  LEU  32          HD23      LEU  32  -5.247  -7.415   5.217
  219   1HN   NH2  33          H1        NH2  33  -9.300  -5.271   8.126
  220   2HN   NH2  33          H2        NH2  33  -9.963  -3.832   8.825
  Start of MODEL    3
    1   1H    ASP   1          HT1       ASP   1   4.751  10.210  -2.581
    2   2H    ASP   1          HT2       ASP   1   5.353  11.720  -2.430
    3   3H    ASP   1          HT3       ASP   1   5.691  10.808  -3.756
    4    HA   ASP   1           HA       ASP   1   4.084  12.472  -4.291
    5   1HB   ASP   1          HB2       ASP   1   3.846  10.038  -5.260
    6   2HB   ASP   1          HB1       ASP   1   2.574   9.769  -4.022
    7    H    ASP   2           HN       ASP   2   1.170  11.422  -3.367
    8    HA   ASP   2           HA       ASP   2   1.244  12.856  -0.807
    9   1HB   ASP   2          HB2       ASP   2  -0.376  13.611  -2.627
   10   2HB   ASP   2          HB1       ASP   2  -1.174  12.008  -2.540
   11    H    CYS   3           HN       CYS   3  -0.579  10.067  -2.257
   12    HA   CYS   3           HA       CYS   3   0.534   8.278  -0.368
   13   1HB   CYS   3          HB2       CYS   3  -1.675   7.314   0.318
   14   2HB   CYS   3          HB1       CYS   3  -1.497   8.975   0.953
   15    H    ILE   4           HN       ILE   4  -0.440   6.083  -1.226
   16    HA   ILE   4           HA       ILE   4  -0.469   6.263  -4.130
   17    HB   ILE   4           HB       ILE   4  -0.353   3.809  -2.319
   18   1HG1  ILE   4          HG12      ILE   4   1.971   5.366  -3.615
   19   2HG1  ILE   4          HG11      ILE   4   1.604   5.288  -1.864
   20   1HG2  ILE   4          HG21      ILE   4   0.317   4.207  -5.326
   21   2HG2  ILE   4          HG22      ILE   4  -1.148   3.372  -4.675
   22   3HG2  ILE   4          HG23      ILE   4   0.465   2.665  -4.413
   23   1HD1  ILE   4          HD11      ILE   4   2.445   2.877  -3.597
   24   2HD1  ILE   4          HD12      ILE   4   2.025   2.825  -1.839
   25   3HD1  ILE   4          HD13      ILE   4   3.452   3.747  -2.397
   26    H    LYS   5           HN       LYS   5  -2.276   5.310  -5.275
   27    HA   LYS   5           HA       LYS   5  -4.732   5.923  -3.958
   28   1HB   LYS   5          HB2       LYS   5  -4.065   6.862  -6.169
   29   2HB   LYS   5          HB1       LYS   5  -4.107   5.227  -6.892
   30   1HG   LYS   5          HG2       LYS   5  -6.541   6.624  -5.573
   31   2HG   LYS   5          HG1       LYS   5  -6.062   6.913  -7.277
   32   1HD   LYS   5          HD2       LYS   5  -7.006   4.241  -6.106
   33   2HD   LYS   5          HD1       LYS   5  -7.917   5.341  -7.174
   34   1HE   LYS   5          HE2       LYS   5  -6.275   4.950  -9.035
   35   2HE   LYS   5          HE1       LYS   5  -5.335   3.818  -7.977
   36   1HZ   LYS   5          HZ1       LYS   5  -7.376   2.522  -7.806
   37   2HZ   LYS   5          HZ2       LYS   5  -6.783   2.597  -9.321
   38   3HZ   LYS   5          HZ3       LYS   5  -8.094   3.475  -8.915
   39    HA   HYP   6           HA       HYP   6  -5.152   1.713  -3.180
   40   1HB   HYP   6          HB1       HYP   6  -7.234   1.201  -2.066
   41   2HB   HYP   6          HB2       HYP   6  -8.172   2.214  -3.234
   42   1HD   HYP   6          HD1       HYP   6  -7.431   4.741  -3.526
   43   2HD   HYP   6          HD2       HYP   6  -5.978   5.215  -2.547
   44    HOD  HYP   6           HOD      HYP   6  -5.944   2.373  -0.601
   45    HG   HYP   6           HG       HYP   6  -7.807   3.732  -1.249
   46    H    TYR   7           HN       TYR   7  -5.580  -0.348  -3.990
   47    HA   TYR   7           HA       TYR   7  -5.868  -1.877  -5.434
   48   1HB   TYR   7          HB2       TYR   7  -7.684  -0.120  -7.172
   49   2HB   TYR   7          HB1       TYR   7  -7.490  -1.915  -7.270
   50    HD1  TYR   7           HD1      TYR   7  -7.768  -3.165  -4.906
   51    HD2  TYR   7           HD2      TYR   7  -9.420   0.697  -5.815
   52    HE1  TYR   7           HE1      TYR   7  -9.261  -3.365  -2.979
   53    HE2  TYR   7           HE2      TYR   7 -10.961   0.495  -3.888
   54    HH   TYR   7           HH       TYR   7 -10.744  -2.286  -1.635
   55    H    GLY   8           HN       GLY   8  -4.162   0.851  -5.874
   56   1HA   GLY   8          HA2       GLY   8  -2.930  -0.006  -8.371
   57   2HA   GLY   8          HA1       GLY   8  -2.484   1.367  -7.262
   58    H    PHE   9           HN       PHE   9  -0.361  -0.257  -8.019
   59    HA   PHE   9           HA       PHE   9  -0.063  -2.363  -6.063
   60   1HB   PHE   9          HB2       PHE   9   2.008  -1.153  -8.013
   61   2HB   PHE   9          HB1       PHE   9   2.224  -2.653  -7.034
   62    HD1  PHE   9           HD1      PHE   9   0.319  -4.479  -7.341
   63    HD2  PHE   9           HD2      PHE   9   1.233  -1.418 -10.213
   64    HE1  PHE   9           HE1      PHE   9  -0.701  -5.849  -9.132
   65    HE2  PHE   9           HE2      PHE   9   0.229  -2.796 -12.001
   66    HZ   PHE   9           HZ       PHE   9  -0.731  -5.019 -11.472
   67    H    CYS  10           HN       CYS  10   1.494  -2.179  -4.254
   68    HA   CYS  10           HA       CYS  10   1.897   0.651  -3.560
   69   1HB   CYS  10          HB2       CYS  10   2.349  -0.111  -1.264
   70   2HB   CYS  10          HB1       CYS  10   0.692  -0.408  -1.860
   71    H    SER  11           HN       SER  11   3.757   1.153  -4.867
   72    HA   SER  11           HA       SER  11   6.092  -0.428  -4.619
   73   1HB   SER  11          HB2       SER  11   6.853   1.905  -5.837
   74   2HB   SER  11          HB1       SER  11   5.903   0.649  -6.708
   75    HG   SER  11           HG       SER  11   5.168   3.171  -6.098
   76    H    LEU  12           HN       LEU  12   8.190   0.746  -3.833
   77    HA   LEU  12           HA       LEU  12   7.812   2.814  -1.944
   78   1HB   LEU  12          HB2       LEU  12   9.360   0.186  -1.356
   79   2HB   LEU  12          HB1       LEU  12   9.520   1.690  -0.389
   80    HG   LEU  12           HG       LEU  12   6.959   0.021  -0.686
   81   1HD1  LEU  12          HD11      LEU  12   7.376  -0.822   1.579
   82   2HD1  LEU  12          HD12      LEU  12   8.885   0.154   1.727
   83   3HD1  LEU  12          HD13      LEU  12   8.792  -1.195   0.533
   84   1HD2  LEU  12          HD21      LEU  12   6.063   1.316   1.228
   85   2HD2  LEU  12          HD22      LEU  12   6.425   2.408  -0.151
   86   3HD2  LEU  12          HD23      LEU  12   7.537   2.351   1.267
   87    HA   PRO  13           HA       PRO  13  10.928   3.279  -0.988
   88   1HB   PRO  13          HB2       PRO  13  11.536   5.724  -2.768
   89   2HB   PRO  13          HB1       PRO  13  12.480   5.131  -1.333
   90   1HG   PRO  13          HG1       PRO  13  13.310   4.491  -3.854
   91   2HG   PRO  13          HG2       PRO  13  13.279   3.210  -2.565
   92   1HD   PRO  13          HD1       PRO  13  11.265   3.640  -4.835
   93   2HD   PRO  13          HD2       PRO  13  11.907   2.105  -4.104
   94    H    ILE  14           HN       ILE  14  10.064   4.704   0.581
   95    HA   ILE  14           HA       ILE  14   7.412   5.432   0.121
   96    HB   ILE  14           HB       ILE  14   8.276   4.427   2.188
   97   1HG1  ILE  14          HG12      ILE  14   6.934   7.160   2.629
   98   2HG1  ILE  14          HG11      ILE  14   6.124   5.617   2.179
   99   1HG2  ILE  14          HG21      ILE  14  10.503   5.618   2.274
  100   2HG2  ILE  14          HG22      ILE  14   9.614   5.716   3.818
  101   3HG2  ILE  14          HG23      ILE  14   9.655   7.143   2.731
  102   1HD1  ILE  14          HD11      ILE  14   5.884   6.057   4.606
  103   2HD1  ILE  14          HD12      ILE  14   7.666   6.138   4.813
  104   3HD1  ILE  14          HD13      ILE  14   6.884   4.581   4.337
  105    H    LEU  15           HN       LEU  15  10.423   7.216  -0.054
  106    HA   LEU  15           HA       LEU  15   9.301   9.775   0.425
  107   1HB   LEU  15          HB2       LEU  15  11.853   9.050  -1.139
  108   2HB   LEU  15          HB1       LEU  15  11.458  10.667  -0.449
  109    HG   LEU  15           HG       LEU  15  11.969   8.074   1.156
  110   1HD1  LEU  15          HD11      LEU  15  13.762  10.550   0.759
  111   2HD1  LEU  15          HD12      LEU  15  14.029   8.906   0.069
  112   3HD1  LEU  15          HD13      LEU  15  14.096   9.156   1.851
  113   1HD2  LEU  15          HD21      LEU  15  10.391   9.551   2.389
  114   2HD2  LEU  15          HD22      LEU  15  11.497  10.959   2.160
  115   3HD2  LEU  15          HD23      LEU  15  12.007   9.556   3.173
  116    H    LYS  16           HN       LYS  16   9.741   7.714  -2.382
  117    HA   LYS  16           HA       LYS  16   9.076   9.811  -4.268
  118   1HB   LYS  16          HB2       LYS  16   9.450   6.752  -4.561
  119   2HB   LYS  16          HB1       LYS  16   8.999   7.830  -5.923
  120   1HG   LYS  16          HG2       LYS  16  11.635   7.991  -4.323
  121   2HG   LYS  16          HG1       LYS  16  11.381   7.252  -5.940
  122   1HD   LYS  16          HD2       LYS  16  10.463   9.602  -6.677
  123   2HD   LYS  16          HD1       LYS  16  11.170  10.222  -5.152
  124   1HE   LYS  16          HE2       LYS  16  12.763  10.616  -6.965
  125   2HE   LYS  16          HE1       LYS  16  13.455   9.313  -5.912
  126   1HZ   LYS  16          HZ1       LYS  16  13.631   8.808  -8.228
  127   2HZ   LYS  16          HZ2       LYS  16  12.022   8.906  -8.448
  128   3HZ   LYS  16          HZ3       LYS  16  12.644   7.730  -7.508
  129    H    ASN  17           HN       ASN  17   7.705   6.764  -2.965
  130    HA   ASN  17           HA       ASN  17   5.225   7.241  -4.388
  131   1HB   ASN  17          HB2       ASN  17   6.065   4.839  -2.630
  132   2HB   ASN  17          HB1       ASN  17   4.574   4.982  -3.639
  133   1HD2  ASN  17          HD21      ASN  17   8.156   4.677  -3.737
  134   2HD2  ASN  17          HD22      ASN  17   8.214   4.074  -5.369
  135    H    GLY  18           HN       GLY  18   4.752   5.525  -1.287
  136   1HA   GLY  18          HA2       GLY  18   4.780   7.426   0.517
  137   2HA   GLY  18          HA1       GLY  18   3.178   7.631  -0.367
  138    H    LEU  19           HN       LEU  19   1.963   6.624   1.323
  139    HA   LEU  19           HA       LEU  19   2.308   3.721   1.523
  140   1HB   LEU  19          HB2       LEU  19   0.981   5.720   3.482
  141   2HB   LEU  19          HB1       LEU  19   0.936   3.938   3.658
  142    HG   LEU  19           HG       LEU  19   3.507   5.629   3.693
  143   1HD1  LEU  19          HD11      LEU  19   1.841   4.535   6.042
  144   2HD1  LEU  19          HD12      LEU  19   2.107   6.261   5.591
  145   3HD1  LEU  19          HD13      LEU  19   3.488   5.267   6.172
  146   1HD2  LEU  19          HD21      LEU  19   2.979   2.651   4.312
  147   2HD2  LEU  19          HD22      LEU  19   4.503   3.521   4.723
  148   3HD2  LEU  19          HD23      LEU  19   4.014   3.335   3.002
  149    H    CYS  20           HN       CYS  20  -0.243   3.010   2.017
  150    HA   CYS  20           HA       CYS  20  -1.585   4.021  -0.358
  151   1HB   CYS  20          HB2       CYS  20  -2.332   1.806   1.648
  152   2HB   CYS  20          HB1       CYS  20  -3.170   2.129   0.100
  153    H    CYS  21           HN       CYS  21  -3.586   5.210  -0.242
  154    HA   CYS  21           HA       CYS  21  -4.050   6.483   2.263
  155   1HB   CYS  21          HB2       CYS  21  -5.287   6.675  -0.479
  156   2HB   CYS  21          HB1       CYS  21  -6.357   7.102   0.885
  157    H    SER  22           HN       SER  22  -5.312   3.509   0.863
  158    HA   SER  22           HA       SER  22  -7.390   3.335   2.869
  159   1HB   SER  22          HB2       SER  22  -7.632   0.956   1.951
  160   2HB   SER  22          HB1       SER  22  -7.890   2.260   0.745
  161    HG   SER  22           HG       SER  22  -5.801   0.431   1.042
  162    H    GLY  23           HN       GLY  23  -4.023   3.218   3.146
  163   1HA   GLY  23          HA2       GLY  23  -3.122   2.725   5.134
  164   2HA   GLY  23          HA1       GLY  23  -4.359   1.462   5.462
  165    H    ALA  24           HN       ALA  24  -4.249  -0.479   3.779
  166    HA   ALA  24           HA       ALA  24  -1.655  -1.399   4.586
  167   1HB   ALA  24          HB1       ALA  24  -2.420  -3.671   4.122
  168   2HB   ALA  24          HB2       ALA  24  -3.861  -3.052   3.241
  169   3HB   ALA  24          HB3       ALA  24  -3.710  -2.802   5.022
  170    H    CYS  25           HN       CYS  25   0.000  -2.198   3.381
  171    HA   CYS  25           HA       CYS  25  -0.205  -2.096   0.459
  172   1HB   CYS  25          HB2       CYS  25   1.682  -0.712   1.310
  173   2HB   CYS  25          HB1       CYS  25   2.182  -2.017   2.423
  174    H    VAL  26           HN       VAL  26  -0.620  -4.185  -0.313
  175    HA   VAL  26           HA       VAL  26   0.542  -6.419   1.159
  176    HB   VAL  26           HB       VAL  26  -1.626  -6.040   2.217
  177   1HG1  VAL  26          HG11      VAL  26  -2.872  -6.154  -0.608
  178   2HG1  VAL  26          HG12      VAL  26  -2.787  -4.722   0.479
  179   3HG1  VAL  26          HG13      VAL  26  -3.761  -6.156   0.951
  180   1HG2  VAL  26          HG21      VAL  26  -1.793  -8.496   0.361
  181   2HG2  VAL  26          HG22      VAL  26  -2.608  -8.251   1.951
  182   3HG2  VAL  26          HG23      VAL  26  -0.810  -8.386   1.871
  183    H    GLY  27           HN       GLY  27   1.600  -5.221  -0.987
  184   1HA   GLY  27          HA2       GLY  27   2.375  -5.853  -3.012
  185   2HA   GLY  27          HA1       GLY  27   0.997  -7.019  -3.214
  186    H    VAL  28           HN       VAL  28  -1.210  -5.751  -2.940
  187    HA   VAL  28           HA       VAL  28  -1.103  -3.369  -4.666
  188    HB   VAL  28           HB       VAL  28  -3.457  -3.549  -5.034
  189   1HG1  VAL  28          HG11      VAL  28  -2.100  -6.298  -5.468
  190   2HG1  VAL  28          HG12      VAL  28  -1.837  -4.839  -6.490
  191   3HG1  VAL  28          HG13      VAL  28  -3.468  -5.599  -6.405
  192   1HG2  VAL  28          HG21      VAL  28  -4.758  -5.554  -4.190
  193   2HG2  VAL  28          HG22      VAL  28  -4.266  -4.431  -2.878
  194   3HG2  VAL  28          HG23      VAL  28  -3.375  -5.983  -3.121
  195    H    CYS  29           HN       CYS  29  -2.544  -1.581  -3.897
  196    HA   CYS  29           HA       CYS  29  -2.300  -1.209  -1.022
  197   1HB   CYS  29          HB2       CYS  29  -3.357   0.487  -3.359
  198   2HB   CYS  29          HB1       CYS  29  -3.725   0.938  -1.662
  199    H    ALA  30           HN       ALA  30  -3.849  -1.897   0.375
  200    HA   ALA  30           HA       ALA  30  -6.599  -1.998  -0.538
  201   1HB   ALA  30          HB1       ALA  30  -5.728  -4.355  -1.049
  202   2HB   ALA  30          HB2       ALA  30  -6.987  -4.330   0.227
  203   3HB   ALA  30          HB3       ALA  30  -5.243  -4.498   0.676
  204    H    ASP  31           HN       ASP  31  -6.762  -3.795   2.168
  205    HA   ASP  31           HA       ASP  31  -6.133  -1.774   4.066
  206   1HB   ASP  31          HB2       ASP  31  -8.476  -1.892   5.050
  207   2HB   ASP  31          HB1       ASP  31  -8.441  -1.000   3.496
  208    H    LEU  32           HN       LEU  32  -6.840  -3.146   6.265
  209    HA   LEU  32           HA       LEU  32  -6.935  -5.908   5.892
  210   1HB   LEU  32          HB2       LEU  32  -4.570  -4.491   7.334
  211   2HB   LEU  32          HB1       LEU  32  -5.063  -6.172   7.722
  212    HG   LEU  32           HG       LEU  32  -4.121  -5.284   4.934
  213   1HD1  LEU  32          HD11      LEU  32  -2.269  -4.922   6.566
  214   2HD1  LEU  32          HD12      LEU  32  -1.916  -6.294   5.451
  215   3HD1  LEU  32          HD13      LEU  32  -2.436  -6.623   7.143
  216   1HD2  LEU  32          HD21      LEU  32  -5.466  -7.362   4.887
  217   2HD2  LEU  32          HD22      LEU  32  -4.449  -8.084   6.191
  218   3HD2  LEU  32          HD23      LEU  32  -3.735  -7.739   4.574
  219   1HN   NH2  33          H1        NH2  33  -7.454  -6.442   8.389
  220   2HN   NH2  33          H2        NH2  33  -8.215  -5.164   9.282
  Start of MODEL    4
    1   1H    ASP   1          HT1       ASP   1   2.728  11.210   1.547
    2   2H    ASP   1          HT2       ASP   1   3.871  11.731   2.597
    3   3H    ASP   1          HT3       ASP   1   4.185  11.646   0.996
    4    HA   ASP   1           HA       ASP   1   2.418  13.518   2.392
    5   1HB   ASP   1          HB2       ASP   1   4.729  13.956   0.374
    6   2HB   ASP   1          HB1       ASP   1   3.656  15.269   0.977
    7    H    ASP   2           HN       ASP   2   3.323  12.163  -0.826
    8    HA   ASP   2           HA       ASP   2   0.534  12.446  -1.638
    9   1HB   ASP   2          HB2       ASP   2   2.641  12.474  -3.254
   10   2HB   ASP   2          HB1       ASP   2   2.737  10.714  -2.937
   11    H    CYS   3           HN       CYS   3   0.140   9.588  -2.450
   12    HA   CYS   3           HA       CYS   3   0.893   7.998  -0.233
   13   1HB   CYS   3          HB2       CYS   3  -1.380   7.246   0.388
   14   2HB   CYS   3          HB1       CYS   3  -1.205   8.980   0.756
   15    H    ILE   4           HN       ILE   4  -0.756   5.845  -1.009
   16    HA   ILE   4           HA       ILE   4  -0.300   5.745  -3.908
   17    HB   ILE   4           HB       ILE   4  -0.140   3.361  -2.031
   18   1HG1  ILE   4          HG12      ILE   4   2.100   5.142  -3.176
   19   2HG1  ILE   4          HG11      ILE   4   1.686   4.905  -1.441
   20   1HG2  ILE   4          HG21      ILE   4   0.913   2.306  -4.091
   21   2HG2  ILE   4          HG22      ILE   4   0.603   3.818  -5.013
   22   3HG2  ILE   4          HG23      ILE   4  -0.756   2.806  -4.397
   23   1HD1  ILE   4          HD11      ILE   4   2.958   2.854  -3.341
   24   2HD1  ILE   4          HD12      ILE   4   2.244   2.420  -1.735
   25   3HD1  ILE   4          HD13      ILE   4   3.628   3.538  -1.825
   26    H    LYS   5           HN       LYS   5  -1.842   4.337  -4.951
   27    HA   LYS   5           HA       LYS   5  -4.321   5.560  -4.432
   28   1HB   LYS   5          HB2       LYS   5  -2.987   5.292  -6.634
   29   2HB   LYS   5          HB1       LYS   5  -3.501   3.578  -6.649
   30   1HG   LYS   5          HG2       LYS   5  -5.920   4.369  -6.778
   31   2HG   LYS   5          HG1       LYS   5  -5.312   6.071  -6.811
   32   1HD   LYS   5          HD2       LYS   5  -4.769   3.846  -8.880
   33   2HD   LYS   5          HD1       LYS   5  -5.850   5.263  -9.086
   34   1HE   LYS   5          HE2       LYS   5  -3.845   6.809  -8.975
   35   2HE   LYS   5          HE1       LYS   5  -2.761   5.376  -8.765
   36   1HZ   LYS   5          HZ1       LYS   5  -2.850   6.099 -11.006
   37   2HZ   LYS   5          HZ2       LYS   5  -4.458   5.881 -11.106
   38   3HZ   LYS   5          HZ3       LYS   5  -3.474   4.601 -10.889
   39    HA   HYP   6           HA       HYP   6  -5.971   1.819  -2.699
   40   1HB   HYP   6          HB1       HYP   6  -8.308   2.091  -2.165
   41   2HB   HYP   6          HB2       HYP   6  -8.661   2.798  -3.790
   42   1HD   HYP   6          HD1       HYP   6  -7.179   5.035  -4.439
   43   2HD   HYP   6          HD2       HYP   6  -5.993   5.486  -3.145
   44    HOD  HYP   6           HOD      HYP   6  -6.735   3.172  -1.058
   45    HG   HYP   6           HG       HYP   6  -8.507   4.813  -2.348
   46    H    TYR   7           HN       TYR   7  -5.888  -0.251  -3.546
   47    HA   TYR   7           HA       TYR   7  -5.659  -1.803  -4.937
   48   1HB   TYR   7          HB2       TYR   7  -8.098  -0.670  -6.402
   49   2HB   TYR   7          HB1       TYR   7  -7.369  -2.293  -6.708
   50    HD1  TYR   7           HD1      TYR   7  -9.578  -0.394  -4.503
   51    HD2  TYR   7           HD2      TYR   7  -7.046  -3.864  -4.698
   52    HE1  TYR   7           HE1      TYR   7 -10.578  -1.247  -2.410
   53    HE2  TYR   7           HE2      TYR   7  -8.032  -4.713  -2.621
   54    HH   TYR   7           HH       TYR   7  -9.450  -4.284  -0.896
   55    H    GLY   8           HN       GLY   8  -4.163   0.702  -5.320
   56   1HA   GLY   8          HA2       GLY   8  -3.270   0.209  -8.075
   57   2HA   GLY   8          HA1       GLY   8  -2.767   1.506  -6.901
   58    H    PHE   9           HN       PHE   9  -0.673   0.119  -7.992
   59    HA   PHE   9           HA       PHE   9  -0.019  -2.165  -6.330
   60   1HB   PHE   9          HB2       PHE   9   0.493  -2.076  -8.860
   61   2HB   PHE   9          HB1       PHE   9   1.601  -0.701  -8.530
   62    HD1  PHE   9           HD1      PHE   9   3.852  -1.154  -7.909
   63    HD2  PHE   9           HD2      PHE   9   0.931  -4.292  -7.620
   64    HE1  PHE   9           HE1      PHE   9   5.655  -2.785  -7.480
   65    HE2  PHE   9           HE2      PHE   9   2.731  -5.926  -7.165
   66    HZ   PHE   9           HZ       PHE   9   5.098  -5.177  -7.088
   67    H    CYS  10           HN       CYS  10   1.764  -1.996  -4.726
   68    HA   CYS  10           HA       CYS  10   2.566   0.809  -4.244
   69   1HB   CYS  10          HB2       CYS  10   2.764   0.210  -1.811
   70   2HB   CYS  10          HB1       CYS  10   1.108   0.396  -2.457
   71    H    SER  11           HN       SER  11   4.732   1.189  -4.442
   72    HA   SER  11           HA       SER  11   6.488  -0.698  -3.277
   73   1HB   SER  11          HB2       SER  11   8.279   0.168  -5.010
   74   2HB   SER  11          HB1       SER  11   7.199  -1.138  -5.621
   75    HG   SER  11           HG       SER  11   7.518   0.729  -7.015
   76    H    LEU  12           HN       LEU  12   8.307   1.111  -2.411
   77    HA   LEU  12           HA       LEU  12   7.416   3.705  -2.844
   78   1HB   LEU  12          HB2       LEU  12   6.924   4.337  -0.493
   79   2HB   LEU  12          HB1       LEU  12   5.747   3.131  -1.081
   80    HG   LEU  12           HG       LEU  12   7.346   1.363   0.117
   81   1HD1  LEU  12          HD11      LEU  12   8.257   2.340   2.301
   82   2HD1  LEU  12          HD12      LEU  12   8.021   3.987   1.618
   83   3HD1  LEU  12          HD13      LEU  12   9.188   2.846   0.860
   84   1HD2  LEU  12          HD21      LEU  12   4.957   1.840   0.679
   85   2HD2  LEU  12          HD22      LEU  12   5.468   3.235   1.695
   86   3HD2  LEU  12          HD23      LEU  12   5.946   1.563   2.157
   87    HA   PRO  13           HA       PRO  13   8.226   5.646  -1.920
   88   1HB   PRO  13          HB2       PRO  13  10.310   7.430  -2.137
   89   2HB   PRO  13          HB1       PRO  13   9.794   6.776  -0.542
   90   1HG   PRO  13          HG1       PRO  13  12.109   5.839  -2.317
   91   2HG   PRO  13          HG2       PRO  13  12.133   6.139  -0.524
   92   1HD   PRO  13          HD1       PRO  13  11.766   3.599  -1.756
   93   2HD   PRO  13          HD2       PRO  13  11.126   3.998  -0.101
   94    H    ILE  14           HN       ILE  14   8.302   7.182  -3.834
   95    HA   ILE  14           HA       ILE  14   9.867   6.373  -6.081
   96    HB   ILE  14           HB       ILE  14   8.273   4.774  -6.647
   97   1HG1  ILE  14          HG12      ILE  14   7.280   7.323  -8.060
   98   2HG1  ILE  14          HG11      ILE  14   8.782   6.424  -8.464
   99   1HG2  ILE  14          HG21      ILE  14   6.033   6.664  -5.694
  100   2HG2  ILE  14          HG22      ILE  14   6.612   5.140  -4.917
  101   3HG2  ILE  14          HG23      ILE  14   5.790   5.077  -6.497
  102   1HD1  ILE  14          HD11      ILE  14   7.406   4.396  -9.047
  103   2HD1  ILE  14          HD12      ILE  14   6.938   5.840 -10.012
  104   3HD1  ILE  14          HD13      ILE  14   5.899   5.301  -8.647
  105    H    LEU  15           HN       LEU  15   7.134   8.217  -4.623
  106    HA   LEU  15           HA       LEU  15   8.533  10.625  -5.568
  107   1HB   LEU  15          HB2       LEU  15   5.505  10.338  -4.973
  108   2HB   LEU  15          HB1       LEU  15   6.350  11.859  -5.435
  109    HG   LEU  15           HG       LEU  15   6.074   9.385  -7.230
  110   1HD1  LEU  15          HD11      LEU  15   4.473  10.805  -8.567
  111   2HD1  LEU  15          HD12      LEU  15   4.522  12.051  -7.269
  112   3HD1  LEU  15          HD13      LEU  15   3.866  10.412  -6.920
  113   1HD2  LEU  15          HD21      LEU  15   8.134  10.710  -7.743
  114   2HD2  LEU  15          HD22      LEU  15   7.143  12.209  -7.888
  115   3HD2  LEU  15          HD23      LEU  15   6.924  10.856  -9.055
  116    H    LYS  16           HN       LYS  16   6.822  12.098  -3.581
  117    HA   LYS  16           HA       LYS  16   7.995  10.986  -1.125
  118   1HB   LYS  16          HB2       LYS  16   6.596  13.663  -1.730
  119   2HB   LYS  16          HB1       LYS  16   6.930  13.074  -0.066
  120   1HG   LYS  16          HG2       LYS  16   8.571  14.712  -0.722
  121   2HG   LYS  16          HG1       LYS  16   9.331  13.112  -0.383
  122   1HD   LYS  16          HD2       LYS  16   9.790  12.721  -2.713
  123   2HD   LYS  16          HD1       LYS  16   8.720  14.052  -3.252
  124   1HE   LYS  16          HE2       LYS  16  11.195  14.590  -3.419
  125   2HE   LYS  16          HE1       LYS  16  10.280  15.756  -2.379
  126   1HZ   LYS  16          HZ1       LYS  16  11.794  13.484  -1.300
  127   2HZ   LYS  16          HZ2       LYS  16  11.146  14.735  -0.490
  128   3HZ   LYS  16          HZ3       LYS  16  12.407  14.977  -1.489
  129    H    ASN  17           HN       ASN  17   6.403   9.118  -1.948
  130    HA   ASN  17           HA       ASN  17   3.650   9.630  -1.302
  131   1HB   ASN  17          HB2       ASN  17   3.258   7.216  -1.962
  132   2HB   ASN  17          HB1       ASN  17   3.791   8.344  -3.224
  133   1HD2  ASN  17          HD21      ASN  17   4.268   5.190  -2.297
  134   2HD2  ASN  17          HD22      ASN  17   5.819   4.968  -3.002
  135    H    GLY  18           HN       GLY  18   4.241   6.384  -0.194
  136   1HA   GLY  18          HA2       GLY  18   5.216   6.395   2.176
  137   2HA   GLY  18          HA1       GLY  18   3.684   7.362   2.417
  138    H    LEU  19           HN       LEU  19   2.376   5.706   3.279
  139    HA   LEU  19           HA       LEU  19   2.200   3.180   1.903
  140   1HB   LEU  19          HB2       LEU  19   0.552   4.266   4.268
  141   2HB   LEU  19          HB1       LEU  19   0.611   2.557   3.720
  142    HG   LEU  19           HG       LEU  19   2.973   4.137   4.915
  143   1HD1  LEU  19          HD11      LEU  19   2.652   2.720   6.925
  144   2HD1  LEU  19          HD12      LEU  19   1.216   1.934   6.164
  145   3HD1  LEU  19          HD13      LEU  19   1.176   3.689   6.573
  146   1HD2  LEU  19          HD21      LEU  19   2.786   1.142   4.172
  147   2HD2  LEU  19          HD22      LEU  19   4.150   1.949   5.023
  148   3HD2  LEU  19          HD23      LEU  19   3.781   2.393   3.326
  149    H    CYS  20           HN       CYS  20  -0.621   2.700   2.249
  150    HA   CYS  20           HA       CYS  20  -1.426   4.100  -0.160
  151   1HB   CYS  20          HB2       CYS  20  -2.685   1.775   1.394
  152   2HB   CYS  20          HB1       CYS  20  -3.250   2.408  -0.181
  153    H    CYS  21           HN       CYS  21  -3.466   5.278  -0.266
  154    HA   CYS  21           HA       CYS  21  -4.029   6.656   2.150
  155   1HB   CYS  21          HB2       CYS  21  -5.214   6.711  -0.652
  156   2HB   CYS  21          HB1       CYS  21  -6.177   7.393   0.682
  157    H    SER  22           HN       SER  22  -5.419   3.686   0.770
  158    HA   SER  22           HA       SER  22  -7.648   3.809   2.610
  159   1HB   SER  22          HB2       SER  22  -7.966   1.375   1.656
  160   2HB   SER  22          HB1       SER  22  -8.241   2.778   0.579
  161    HG   SER  22           HG       SER  22  -6.163   0.920   0.625
  162    H    GLY  23           HN       GLY  23  -4.304   3.053   2.849
  163   1HA   GLY  23          HA2       GLY  23  -3.709   2.777   5.103
  164   2HA   GLY  23          HA1       GLY  23  -4.879   1.412   5.236
  165    H    ALA  24           HN       ALA  24  -4.489  -0.542   3.920
  166    HA   ALA  24           HA       ALA  24  -1.743  -1.079   4.566
  167   1HB   ALA  24          HB1       ALA  24  -3.965  -2.983   3.612
  168   2HB   ALA  24          HB2       ALA  24  -3.474  -2.709   5.320
  169   3HB   ALA  24          HB3       ALA  24  -2.331  -3.503   4.186
  170    H    CYS  25           HN       CYS  25  -0.312  -2.415   3.221
  171    HA   CYS  25           HA       CYS  25  -0.670  -2.131   0.350
  172   1HB   CYS  25          HB2       CYS  25   1.046  -0.402   0.943
  173   2HB   CYS  25          HB1       CYS  25   1.778  -1.503   2.140
  174    H    VAL  26           HN       VAL  26  -0.524  -4.242  -0.406
  175    HA   VAL  26           HA       VAL  26   1.103  -6.139   1.044
  176    HB   VAL  26           HB       VAL  26  -1.015  -6.304   2.217
  177   1HG1  VAL  26          HG11      VAL  26  -3.170  -6.748   1.090
  178   2HG1  VAL  26          HG12      VAL  26  -2.394  -6.669  -0.528
  179   3HG1  VAL  26          HG13      VAL  26  -2.485  -5.200   0.512
  180   1HG2  VAL  26          HG21      VAL  26   0.223  -8.418   1.780
  181   2HG2  VAL  26          HG22      VAL  26  -0.736  -8.688   0.278
  182   3HG2  VAL  26          HG23      VAL  26  -1.554  -8.675   1.879
  183    H    GLY  27           HN       GLY  27   1.773  -4.739  -1.132
  184   1HA   GLY  27          HA2       GLY  27   2.717  -5.373  -3.107
  185   2HA   GLY  27          HA1       GLY  27   1.462  -6.662  -3.324
  186    H    VAL  28           HN       VAL  28  -0.852  -5.566  -3.048
  187    HA   VAL  28           HA       VAL  28  -0.926  -3.092  -4.648
  188    HB   VAL  28           HB       VAL  28  -3.389  -3.568  -4.912
  189   1HG1  VAL  28          HG11      VAL  28  -1.081  -4.473  -6.377
  190   2HG1  VAL  28          HG12      VAL  28  -2.748  -4.197  -6.994
  191   3HG1  VAL  28          HG13      VAL  28  -2.260  -5.834  -6.416
  192   1HG2  VAL  28          HG21      VAL  28  -2.554  -6.423  -4.000
  193   2HG2  VAL  28          HG22      VAL  28  -4.166  -5.918  -4.615
  194   3HG2  VAL  28          HG23      VAL  28  -3.570  -5.283  -3.042
  195    H    CYS  29           HN       CYS  29  -2.592  -1.606  -3.818
  196    HA   CYS  29           HA       CYS  29  -2.347  -1.380  -0.939
  197   1HB   CYS  29          HB2       CYS  29  -3.854   0.231  -3.084
  198   2HB   CYS  29          HB1       CYS  29  -3.932   0.641  -1.334
  199    H    ALA  30           HN       ALA  30  -3.958  -1.696   0.551
  200    HA   ALA  30           HA       ALA  30  -6.544  -2.659  -0.481
  201   1HB   ALA  30          HB1       ALA  30  -6.603  -4.490   1.178
  202   2HB   ALA  30          HB2       ALA  30  -4.999  -3.987   1.850
  203   3HB   ALA  30          HB3       ALA  30  -5.115  -4.694   0.199
  204    H    ASP  31           HN       ASP  31  -7.496  -3.099   2.185
  205    HA   ASP  31           HA       ASP  31  -7.390  -0.392   3.269
  206   1HB   ASP  31          HB2       ASP  31  -9.664  -0.779   4.192
  207   2HB   ASP  31          HB1       ASP  31  -9.662  -0.840   2.402
  208    H    LEU  32           HN       LEU  32  -8.264  -0.848   5.879
  209    HA   LEU  32           HA       LEU  32  -7.111  -3.111   6.967
  210   1HB   LEU  32          HB2       LEU  32  -4.980  -1.749   6.498
  211   2HB   LEU  32          HB1       LEU  32  -5.736  -0.334   7.302
  212    HG   LEU  32           HG       LEU  32  -5.634  -1.479   9.483
  213   1HD1  LEU  32          HD11      LEU  32  -5.986  -3.864   8.864
  214   2HD1  LEU  32          HD12      LEU  32  -4.425  -3.697   9.735
  215   3HD1  LEU  32          HD13      LEU  32  -4.439  -3.881   7.947
  216   1HD2  LEU  32          HD21      LEU  32  -3.194  -1.453   9.789
  217   2HD2  LEU  32          HD22      LEU  32  -3.657  -0.178   8.605
  218   3HD2  LEU  32          HD23      LEU  32  -2.929  -1.725   8.024
  219   1HN   NH2  33          H1        NH2  33  -9.062  -1.488   9.652
  220   2HN   NH2  33          H2        NH2  33  -7.707  -2.559   9.462
  Start of MODEL    5
    1   1H    ASP   1          HT1       ASP   1   0.856   7.883  -6.648
    2   2H    ASP   1          HT2       ASP   1   0.450   8.072  -5.068
    3   3H    ASP   1          HT3       ASP   1   1.847   8.684  -5.615
    4    HA   ASP   1           HA       ASP   1   0.800  10.284  -6.931
    5   1HB   ASP   1          HB2       ASP   1  -1.689  10.696  -6.737
    6   2HB   ASP   1          HB1       ASP   1  -1.279   9.196  -7.615
    7    H    ASP   2           HN       ASP   2  -1.517  11.065  -4.611
    8    HA   ASP   2           HA       ASP   2   0.349  12.441  -2.970
    9   1HB   ASP   2          HB2       ASP   2  -2.669  11.866  -2.571
   10   2HB   ASP   2          HB1       ASP   2  -1.690  13.024  -1.599
   11    H    CYS   3           HN       CYS   3  -1.090   9.264  -3.021
   12    HA   CYS   3           HA       CYS   3   0.323   8.514  -0.646
   13   1HB   CYS   3          HB2       CYS   3  -1.668   7.028   0.041
   14   2HB   CYS   3          HB1       CYS   3  -1.952   8.768   0.309
   15    H    ILE   4           HN       ILE   4  -0.288   5.736  -1.045
   16    HA   ILE   4           HA       ILE   4   0.045   5.421  -3.947
   17    HB   ILE   4           HB       ILE   4  -0.020   3.255  -1.823
   18   1HG1  ILE   4          HG12      ILE   4   1.927   4.775  -1.408
   19   2HG1  ILE   4          HG11      ILE   4   2.379   3.121  -1.899
   20   1HG2  ILE   4          HG21      ILE   4   0.861   3.299  -4.811
   21   2HG2  ILE   4          HG22      ILE   4  -0.630   2.532  -4.164
   22   3HG2  ILE   4          HG23      ILE   4   0.963   1.894  -3.700
   23   1HD1  ILE   4          HD11      ILE   4   2.983   3.867  -4.176
   24   2HD1  ILE   4          HD12      ILE   4   3.793   4.925  -2.973
   25   3HD1  ILE   4          HD13      ILE   4   2.347   5.526  -3.849
   26    H    LYS   5           HN       LYS   5  -1.701   4.418  -5.105
   27    HA   LYS   5           HA       LYS   5  -4.125   5.539  -4.222
   28   1HB   LYS   5          HB2       LYS   5  -3.382   5.555  -6.636
   29   2HB   LYS   5          HB1       LYS   5  -3.450   3.757  -6.648
   30   1HG   LYS   5          HG2       LYS   5  -5.922   3.864  -6.257
   31   2HG   LYS   5          HG1       LYS   5  -5.856   5.658  -6.308
   32   1HD   LYS   5          HD2       LYS   5  -5.099   5.579  -8.668
   33   2HD   LYS   5          HD1       LYS   5  -4.983   3.782  -8.609
   34   1HE   LYS   5          HE2       LYS   5  -7.600   5.394  -8.234
   35   2HE   LYS   5          HE1       LYS   5  -7.093   4.561  -9.762
   36   1HZ   LYS   5          HZ1       LYS   5  -7.543   3.218  -7.181
   37   2HZ   LYS   5          HZ2       LYS   5  -7.184   2.503  -8.595
   38   3HZ   LYS   5          HZ3       LYS   5  -8.603   3.276  -8.413
   39    HA   HYP   6           HA       HYP   6  -5.643   1.704  -2.520
   40   1HB   HYP   6          HB1       HYP   6  -7.961   1.936  -1.881
   41   2HB   HYP   6          HB2       HYP   6  -8.382   2.716  -3.455
   42   1HD   HYP   6          HD1       HYP   6  -6.989   4.935  -4.087
   43   2HD   HYP   6          HD2       HYP   6  -5.756   5.427  -2.844
   44    HOD  HYP   6           HOD      HYP   6  -6.596   3.046  -0.616
   45    HG   HYP   6           HG       HYP   6  -8.192   4.663  -1.922
   46    H    TYR   7           HN       TYR   7  -5.647  -0.331  -3.477
   47    HA   TYR   7           HA       TYR   7  -5.507  -1.821  -4.925
   48   1HB   TYR   7          HB2       TYR   7  -7.942  -0.589  -6.315
   49   2HB   TYR   7          HB1       TYR   7  -7.273  -2.243  -6.624
   50    HD1  TYR   7           HD1      TYR   7  -7.001  -3.825  -4.613
   51    HD2  TYR   7           HD2      TYR   7  -9.400  -0.265  -4.430
   52    HE1  TYR   7           HE1      TYR   7  -8.097  -4.676  -2.577
   53    HE2  TYR   7           HE2      TYR   7 -10.498  -1.100  -2.393
   54    HH   TYR   7           HH       TYR   7 -10.522  -2.762  -0.775
   55    H    GLY   8           HN       GLY   8  -3.915   0.638  -5.301
   56   1HA   GLY   8          HA2       GLY   8  -3.071  -0.004  -8.050
   57   2HA   GLY   8          HA1       GLY   8  -2.641   1.463  -7.060
   58    H    PHE   9           HN       PHE   9  -0.508  -0.165  -8.012
   59    HA   PHE   9           HA       PHE   9   0.126  -2.037  -5.896
   60   1HB   PHE   9          HB2       PHE   9   1.613  -1.247  -8.481
   61   2HB   PHE   9          HB1       PHE   9   2.343  -2.297  -7.219
   62    HD1  PHE   9           HD1      PHE   9   1.761  -4.567  -6.980
   63    HD2  PHE   9           HD2      PHE   9  -0.508  -2.081  -9.661
   64    HE1  PHE   9           HE1      PHE   9   0.740  -6.583  -7.994
   65    HE2  PHE   9           HE2      PHE   9  -1.582  -4.088 -10.610
   66    HZ   PHE   9           HZ       PHE   9  -0.945  -6.344  -9.803
   67    H    CYS  10           HN       CYS  10   2.021  -1.821  -4.559
   68    HA   CYS  10           HA       CYS  10   3.018   0.954  -4.400
   69   1HB   CYS  10          HB2       CYS  10   3.550   0.591  -2.024
   70   2HB   CYS  10          HB1       CYS  10   1.791   0.454  -2.302
   71    H    SER  11           HN       SER  11   5.344   1.163  -4.126
   72    HA   SER  11           HA       SER  11   6.956  -1.101  -4.738
   73   1HB   SER  11          HB2       SER  11   8.596   1.057  -4.054
   74   2HB   SER  11          HB1       SER  11   7.905   0.837  -5.699
   75    HG   SER  11           HG       SER  11   7.560   2.915  -4.348
   76    H    LEU  12           HN       LEU  12   8.804  -1.592  -3.031
   77    HA   LEU  12           HA       LEU  12   8.418  -0.802  -0.394
   78   1HB   LEU  12          HB2       LEU  12   7.730  -3.652  -1.393
   79   2HB   LEU  12          HB1       LEU  12   8.506  -3.454   0.204
   80    HG   LEU  12           HG       LEU  12   5.822  -2.173  -0.560
   81   1HD1  LEU  12          HD11      LEU  12   6.355  -4.737   1.075
   82   2HD1  LEU  12          HD12      LEU  12   5.637  -4.648  -0.580
   83   3HD1  LEU  12          HD13      LEU  12   4.752  -3.941   0.820
   84   1HD2  LEU  12          HD21      LEU  12   7.228  -2.468   2.180
   85   2HD2  LEU  12          HD22      LEU  12   5.566  -1.825   1.906
   86   3HD2  LEU  12          HD23      LEU  12   6.988  -0.936   1.264
   87    HA   PRO  13           HA       PRO  13  10.011  -2.489   1.389
   88   1HB   PRO  13          HB2       PRO  13  12.538  -1.865   2.431
   89   2HB   PRO  13          HB1       PRO  13  12.079  -3.471   1.780
   90   1HG   PRO  13          HG1       PRO  13  13.630  -1.275   0.320
   91   2HG   PRO  13          HG2       PRO  13  13.964  -3.047   0.385
   92   1HD   PRO  13          HD1       PRO  13  12.616  -1.838  -1.733
   93   2HD   PRO  13          HD2       PRO  13  12.213  -3.524  -1.182
   94    H    ILE  14           HN       ILE  14  12.532   0.081   1.075
   95    HA   ILE  14           HA       ILE  14  10.474   2.083   1.264
   96    HB   ILE  14           HB       ILE  14  11.232   2.123   3.537
   97   1HG1  ILE  14          HG12      ILE  14  12.439   4.284   3.727
   98   2HG1  ILE  14          HG11      ILE  14  12.799   4.273   1.971
   99   1HG2  ILE  14          HG21      ILE  14  14.132   1.962   2.490
  100   2HG2  ILE  14          HG22      ILE  14  13.222   0.664   3.357
  101   3HG2  ILE  14          HG23      ILE  14  13.627   2.196   4.196
  102   1HD1  ILE  14          HD11      ILE  14  10.833   5.736   2.558
  103   2HD1  ILE  14          HD12      ILE  14   9.956   4.303   3.209
  104   3HD1  ILE  14          HD13      ILE  14  10.347   4.411   1.452
  105    H    LEU  15           HN       LEU  15  10.740   3.143  -0.607
  106    HA   LEU  15           HA       LEU  15  13.425   3.396  -1.739
  107   1HB   LEU  15          HB2       LEU  15  10.967   2.265  -3.257
  108   2HB   LEU  15          HB1       LEU  15  12.435   2.927  -4.075
  109    HG   LEU  15           HG       LEU  15  12.399   0.525  -2.158
  110   1HD1  LEU  15          HD11      LEU  15  12.591  -0.914  -4.171
  111   2HD1  LEU  15          HD12      LEU  15  12.441   0.529  -5.243
  112   3HD1  LEU  15          HD13      LEU  15  11.063   0.032  -4.187
  113   1HD2  LEU  15          HD21      LEU  15  14.642   1.594  -2.257
  114   2HD2  LEU  15          HD22      LEU  15  14.616   1.540  -4.063
  115   3HD2  LEU  15          HD23      LEU  15  14.661   0.012  -3.109
  116    H    LYS  16           HN       LYS  16  10.394   4.048  -3.483
  117    HA   LYS  16           HA       LYS  16   9.906   6.385  -1.911
  118   1HB   LYS  16          HB2       LYS  16   9.701   6.310  -5.007
  119   2HB   LYS  16          HB1       LYS  16   9.020   7.587  -3.932
  120   1HG   LYS  16          HG2       LYS  16  11.372   8.101  -3.136
  121   2HG   LYS  16          HG1       LYS  16  12.004   6.924  -4.334
  122   1HD   LYS  16          HD2       LYS  16  10.953   8.273  -6.195
  123   2HD   LYS  16          HD1       LYS  16  10.386   9.477  -4.988
  124   1HE   LYS  16          HE2       LYS  16  13.344   8.754  -5.579
  125   2HE   LYS  16          HE1       LYS  16  12.476  10.239  -6.141
  126   1HZ   LYS  16          HZ1       LYS  16  12.977   9.503  -3.342
  127   2HZ   LYS  16          HZ2       LYS  16  12.201  10.841  -3.845
  128   3HZ   LYS  16          HZ3       LYS  16  13.777  10.636  -4.193
  129    H    ASN  17           HN       ASN  17   7.717   6.054  -1.299
  130    HA   ASN  17           HA       ASN  17   5.852   4.559  -2.461
  131   1HB   ASN  17          HB2       ASN  17   5.803   2.561  -0.896
  132   2HB   ASN  17          HB1       ASN  17   7.068   2.442  -2.132
  133   1HD2  ASN  17          HD22      ASN  17   6.661   1.329   0.738
  134   2HD2  ASN  17          HD21      ASN  17   8.292   1.339   1.299
  135    H    GLY  18           HN       GLY  18   4.557   3.963   0.118
  136   1HA   GLY  18          HA2       GLY  18   5.154   5.671   2.105
  137   2HA   GLY  18          HA1       GLY  18   4.019   6.502   0.912
  138    H    LEU  19           HN       LEU  19   2.429   5.915   2.895
  139    HA   LEU  19           HA       LEU  19   1.621   3.131   2.848
  140   1HB   LEU  19          HB2       LEU  19   0.440   5.599   4.271
  141   2HB   LEU  19          HB1       LEU  19  -0.317   3.982   4.302
  142    HG   LEU  19           HG       LEU  19   1.693   3.004   5.384
  143   1HD1  LEU  19          HD11      LEU  19   3.292   4.506   6.620
  144   2HD1  LEU  19          HD12      LEU  19   2.658   5.927   5.709
  145   3HD1  LEU  19          HD13      LEU  19   3.505   4.586   4.845
  146   1HD2  LEU  19          HD21      LEU  19   1.137   3.887   7.650
  147   2HD2  LEU  19          HD22      LEU  19  -0.343   3.648   6.651
  148   3HD2  LEU  19          HD23      LEU  19   0.311   5.308   6.904
  149    H    CYS  20           HN       CYS  20  -0.954   2.881   2.529
  150    HA   CYS  20           HA       CYS  20  -1.515   4.170  -0.038
  151   1HB   CYS  20          HB2       CYS  20  -3.105   2.021   1.465
  152   2HB   CYS  20          HB1       CYS  20  -3.390   2.591  -0.208
  153    H    CYS  21           HN       CYS  21  -3.797   5.183  -0.219
  154    HA   CYS  21           HA       CYS  21  -4.239   6.878   2.022
  155   1HB   CYS  21          HB2       CYS  21  -5.894   6.335  -0.498
  156   2HB   CYS  21          HB1       CYS  21  -6.550   7.319   0.838
  157    H    SER  22           HN       SER  22  -5.663   3.798   0.963
  158    HA   SER  22           HA       SER  22  -7.534   3.758   3.150
  159   1HB   SER  22          HB2       SER  22  -7.961   1.398   2.128
  160   2HB   SER  22          HB1       SER  22  -8.337   2.824   1.104
  161    HG   SER  22           HG       SER  22  -6.324   0.916   0.898
  162    H    GLY  23           HN       GLY  23  -4.253   3.592   3.236
  163   1HA   GLY  23          HA2       GLY  23  -3.204   3.046   5.120
  164   2HA   GLY  23          HA1       GLY  23  -4.430   1.791   5.522
  165    H    ALA  24           HN       ALA  24  -4.417  -0.185   3.945
  166    HA   ALA  24           HA       ALA  24  -1.687  -1.023   4.523
  167   1HB   ALA  24          HB1       ALA  24  -4.141  -2.753   3.821
  168   2HB   ALA  24          HB2       ALA  24  -3.606  -2.346   5.491
  169   3HB   ALA  24          HB3       ALA  24  -2.556  -3.354   4.440
  170    H    CYS  25           HN       CYS  25  -0.505  -2.600   3.039
  171    HA   CYS  25           HA       CYS  25  -1.457  -2.568   0.333
  172   1HB   CYS  25          HB2       CYS  25   0.436  -0.697   0.621
  173   2HB   CYS  25          HB1       CYS  25   1.515  -2.050   1.016
  174    H    VAL  26           HN       VAL  26  -0.984  -4.580  -0.574
  175    HA   VAL  26           HA       VAL  26   0.909  -6.305   0.785
  176    HB   VAL  26           HB       VAL  26  -1.131  -6.944   1.890
  177   1HG1  VAL  26          HG11      VAL  26  -2.479  -7.092  -0.884
  178   2HG1  VAL  26          HG12      VAL  26  -2.821  -5.899   0.423
  179   3HG1  VAL  26          HG13      VAL  26  -3.197  -7.638   0.671
  180   1HG2  VAL  26          HG21      VAL  26   0.407  -8.769   1.174
  181   2HG2  VAL  26          HG22      VAL  26  -0.533  -8.982  -0.352
  182   3HG2  VAL  26          HG23      VAL  26  -1.309  -9.310   1.237
  183    H    GLY  27           HN       GLY  27   1.723  -4.878  -1.171
  184   1HA   GLY  27          HA2       GLY  27   2.659  -5.196  -3.197
  185   2HA   GLY  27          HA1       GLY  27   1.491  -6.532  -3.574
  186    H    VAL  28           HN       VAL  28  -0.899  -5.636  -3.280
  187    HA   VAL  28           HA       VAL  28  -1.156  -3.088  -4.717
  188    HB   VAL  28           HB       VAL  28  -3.592  -3.722  -4.946
  189   1HG1  VAL  28          HG11      VAL  28  -1.465  -5.514  -6.299
  190   2HG1  VAL  28          HG12      VAL  28  -1.953  -3.857  -6.813
  191   3HG1  VAL  28          HG13      VAL  28  -3.136  -5.214  -6.912
  192   1HG2  VAL  28          HG21      VAL  28  -3.641  -5.499  -3.135
  193   2HG2  VAL  28          HG22      VAL  28  -2.554  -6.538  -4.128
  194   3HG2  VAL  28          HG23      VAL  28  -4.196  -6.125  -4.723
  195    H    CYS  29           HN       CYS  29  -2.449  -1.486  -3.766
  196    HA   CYS  29           HA       CYS  29  -2.454  -1.446  -0.922
  197   1HB   CYS  29          HB2       CYS  29  -3.736   0.310  -3.047
  198   2HB   CYS  29          HB1       CYS  29  -3.973   0.633  -1.297
  199    H    ALA  30           HN       ALA  30  -4.137  -1.654   0.539
  200    HA   ALA  30           HA       ALA  30  -6.763  -2.357  -0.487
  201   1HB   ALA  30          HB1       ALA  30  -5.543  -4.599  -0.260
  202   2HB   ALA  30          HB2       ALA  30  -6.914  -4.432   0.879
  203   3HB   ALA  30          HB3       ALA  30  -5.211  -4.206   1.462
  204    H    ASP  31           HN       ASP  31  -7.023  -3.323   2.534
  205    HA   ASP  31           HA       ASP  31  -6.637  -0.874   3.908
  206   1HB   ASP  31          HB2       ASP  31  -9.051  -0.929   4.805
  207   2HB   ASP  31          HB1       ASP  31  -8.902  -0.351   3.116
  208    H    LEU  32           HN       LEU  32  -7.453  -1.655   6.279
  209    HA   LEU  32           HA       LEU  32  -5.920  -4.067   6.680
  210   1HB   LEU  32          HB2       LEU  32  -7.314  -2.137   8.627
  211   2HB   LEU  32          HB1       LEU  32  -6.450  -3.614   9.142
  212    HG   LEU  32           HG       LEU  32  -5.099  -1.661   9.537
  213   1HD1  LEU  32          HD11      LEU  32  -3.881  -3.405   7.303
  214   2HD1  LEU  32          HD12      LEU  32  -3.946  -3.783   9.061
  215   3HD1  LEU  32          HD13      LEU  32  -2.972  -2.385   8.472
  216   1HD2  LEU  32          HD21      LEU  32  -5.907  -0.109   7.775
  217   2HD2  LEU  32          HD22      LEU  32  -5.009  -1.043   6.517
  218   3HD2  LEU  32          HD23      LEU  32  -4.112  -0.211   7.835
  219   1HN   NH2  33          H1        NH2  33  -7.670  -5.232   5.336
  220   2HN   NH2  33          H2        NH2  33  -8.966  -5.970   6.261
  Start of MODEL    6
    1   1H    ASP   1          HT1       ASP   1   4.229  11.399   2.726
    2   2H    ASP   1          HT2       ASP   1   3.858  10.985   1.205
    3   3H    ASP   1          HT3       ASP   1   2.670  11.112   2.298
    4    HA   ASP   1           HA       ASP   1   2.933  13.457   2.450
    5   1HB   ASP   1          HB2       ASP   1   5.120  12.992   0.287
    6   2HB   ASP   1          HB1       ASP   1   4.401  14.601   0.658
    7    H    ASP   2           HN       ASP   2   3.488  11.607  -0.627
    8    HA   ASP   2           HA       ASP   2   0.701  12.150  -1.362
    9   1HB   ASP   2          HB2       ASP   2   2.897  10.523  -2.811
   10   2HB   ASP   2          HB1       ASP   2   1.228  10.826  -3.435
   11    H    CYS   3           HN       CYS   3   0.307   9.367  -2.395
   12    HA   CYS   3           HA       CYS   3   0.945   7.625  -0.303
   13   1HB   CYS   3          HB2       CYS   3  -1.361   6.946   0.263
   14   2HB   CYS   3          HB1       CYS   3  -1.135   8.651   0.739
   15    H    ILE   4           HN       ILE   4  -0.529   5.567  -1.228
   16    HA   ILE   4           HA       ILE   4  -0.358   5.713  -4.159
   17    HB   ILE   4           HB       ILE   4  -0.320   3.283  -2.321
   18   1HG1  ILE   4          HG12      ILE   4   1.775   4.638  -2.074
   19   2HG1  ILE   4          HG11      ILE   4   2.007   3.001  -2.734
   20   1HG2  ILE   4          HG21      ILE   4   0.370   2.072  -4.438
   21   2HG2  ILE   4          HG22      ILE   4   0.054   3.563  -5.393
   22   3HG2  ILE   4          HG23      ILE   4  -1.287   2.715  -4.537
   23   1HD1  ILE   4          HD11      ILE   4   2.238   3.936  -5.065
   24   2HD1  ILE   4          HD12      ILE   4   3.439   4.626  -3.937
   25   3HD1  ILE   4          HD13      ILE   4   2.001   5.603  -4.411
   26    H    LYS   5           HN       LYS   5  -2.171   4.640  -5.218
   27    HA   LYS   5           HA       LYS   5  -4.609   5.638  -4.182
   28   1HB   LYS   5          HB2       LYS   5  -3.811   5.870  -6.616
   29   2HB   LYS   5          HB1       LYS   5  -3.918   4.089  -6.769
   30   1HG   LYS   5          HG2       LYS   5  -5.809   5.029  -7.872
   31   2HG   LYS   5          HG1       LYS   5  -6.429   4.253  -6.389
   32   1HD   LYS   5          HD2       LYS   5  -6.471   6.574  -5.290
   33   2HD   LYS   5          HD1       LYS   5  -5.928   7.267  -6.857
   34   1HE   LYS   5          HE2       LYS   5  -8.013   6.381  -7.973
   35   2HE   LYS   5          HE1       LYS   5  -8.559   5.687  -6.390
   36   1HZ   LYS   5          HZ1       LYS   5  -8.568   7.930  -5.534
   37   2HZ   LYS   5          HZ2       LYS   5  -9.553   7.786  -6.820
   38   3HZ   LYS   5          HZ3       LYS   5  -8.117   8.535  -6.975
   39    HA   HYP   6           HA       HYP   6  -5.735   1.642  -2.700
   40   1HB   HYP   6          HB1       HYP   6  -7.996   1.661  -1.890
   41   2HB   HYP   6          HB2       HYP   6  -8.614   2.312  -3.455
   42   1HD   HYP   6          HD1       HYP   6  -7.541   4.623  -4.256
   43   2HD   HYP   6          HD2       HYP   6  -6.363   5.375  -3.096
   44    HOD  HYP   6           HOD      HYP   6  -6.699   3.019  -0.755
   45    HG   HYP   6           HG       HYP   6  -8.608   4.332  -2.030
   46    H    TYR   7           HN       TYR   7  -5.781  -0.454  -3.663
   47    HA   TYR   7           HA       TYR   7  -5.727  -1.937  -5.115
   48   1HB   TYR   7          HB2       TYR   7  -8.020  -0.557  -6.598
   49   2HB   TYR   7          HB1       TYR   7  -7.441  -2.252  -6.872
   50    HD1  TYR   7           HD1      TYR   7  -9.398  -0.060  -4.681
   51    HD2  TYR   7           HD2      TYR   7  -7.466  -3.891  -4.927
   52    HE1  TYR   7           HE1      TYR   7 -10.607  -0.789  -2.663
   53    HE2  TYR   7           HE2      TYR   7  -8.689  -4.639  -2.924
   54    HH   TYR   7           HH       TYR   7 -10.836  -2.457  -1.072
   55    H    GLY   8           HN       GLY   8  -4.143   0.657  -5.482
   56   1HA   GLY   8          HA2       GLY   8  -3.178   0.014  -8.185
   57   2HA   GLY   8          HA1       GLY   8  -2.773   1.448  -7.140
   58    H    PHE   9           HN       PHE   9  -0.572  -0.024  -8.083
   59    HA   PHE   9           HA       PHE   9   0.015  -2.079  -6.137
   60   1HB   PHE   9          HB2       PHE   9   0.636  -2.185  -8.697
   61   2HB   PHE   9          HB1       PHE   9   1.953  -1.029  -8.289
   62    HD1  PHE   9           HD1      PHE   9   3.839  -1.791  -6.877
   63    HD2  PHE   9           HD2      PHE   9   0.598  -4.455  -7.824
   64    HE1  PHE   9           HE1      PHE   9   5.177  -3.703  -6.077
   65    HE2  PHE   9           HE2      PHE   9   1.955  -6.375  -7.052
   66    HZ   PHE   9           HZ       PHE   9   4.241  -6.001  -6.158
   67    H    CYS  10           HN       CYS  10   1.526  -1.778  -4.413
   68    HA   CYS  10           HA       CYS  10   2.221   1.064  -3.981
   69   1HB   CYS  10          HB2       CYS  10   2.285   0.545  -1.535
   70   2HB   CYS  10          HB1       CYS  10   0.677   0.453  -2.280
   71    H    SER  11           HN       SER  11   4.269   1.279  -2.457
   72    HA   SER  11           HA       SER  11   6.238  -0.658  -3.031
   73   1HB   SER  11          HB2       SER  11   7.536   0.850  -4.709
   74   2HB   SER  11          HB1       SER  11   6.091   0.029  -5.361
   75    HG   SER  11           HG       SER  11   4.998   1.818  -5.424
   76    H    LEU  12           HN       LEU  12   7.510   2.511  -3.445
   77    HA   LEU  12           HA       LEU  12   8.093   2.933  -0.709
   78   1HB   LEU  12          HB2       LEU  12  10.173   1.896  -2.786
   79   2HB   LEU  12          HB1       LEU  12  10.623   2.564  -1.189
   80    HG   LEU  12           HG       LEU  12   9.060  -0.041  -1.684
   81   1HD1  LEU  12          HD11      LEU  12  11.139  -1.207  -1.017
   82   2HD1  LEU  12          HD12      LEU  12  12.002   0.366  -0.856
   83   3HD1  LEU  12          HD13      LEU  12  11.415  -0.182  -2.470
   84   1HD2  LEU  12          HD21      LEU  12   9.494  -0.538   0.735
   85   2HD2  LEU  12          HD22      LEU  12   8.429   0.886   0.515
   86   3HD2  LEU  12          HD23      LEU  12  10.167   1.118   0.959
   87    HA   PRO  13           HA       PRO  13  10.367   4.460  -0.320
   88   1HB   PRO  13          HB2       PRO  13  10.015   7.478  -0.594
   89   2HB   PRO  13          HB1       PRO  13  11.490   6.572  -0.071
   90   1HG   PRO  13          HG1       PRO  13  11.333   7.662  -2.589
   91   2HG   PRO  13          HG2       PRO  13  12.001   5.990  -2.381
   92   1HD   PRO  13          HD1       PRO  13   9.139   6.783  -3.196
   93   2HD   PRO  13          HD2       PRO  13  10.230   5.533  -3.940
   94    H    ILE  14           HN       ILE  14   9.343   4.367   1.726
   95    HA   ILE  14           HA       ILE  14   6.579   5.038   1.798
   96    HB   ILE  14           HB       ILE  14   6.703   4.268   4.173
   97   1HG1  ILE  14          HG12      ILE  14   9.662   3.641   3.488
   98   2HG1  ILE  14          HG11      ILE  14   9.111   4.940   4.598
   99   1HG2  ILE  14          HG21      ILE  14   6.981   1.889   3.532
  100   2HG2  ILE  14          HG22      ILE  14   7.905   2.356   2.060
  101   3HG2  ILE  14          HG23      ILE  14   6.162   2.779   2.211
  102   1HD1  ILE  14          HD11      ILE  14   8.696   1.904   4.985
  103   2HD1  ILE  14          HD12      ILE  14   8.019   3.183   6.066
  104   3HD1  ILE  14          HD13      ILE  14   9.801   2.985   5.898
  105    H    LEU  15           HN       LEU  15   5.645   6.547   3.305
  106    HA   LEU  15           HA       LEU  15   5.448   8.337   4.523
  107   1HB   LEU  15          HB2       LEU  15   8.477   8.701   4.659
  108   2HB   LEU  15          HB1       LEU  15   7.267   9.687   5.534
  109    HG   LEU  15           HG       LEU  15   7.626   6.645   5.885
  110   1HD1  LEU  15          HD11      LEU  15   8.776   7.165   8.026
  111   2HD1  LEU  15          HD12      LEU  15   8.674   8.931   7.676
  112   3HD1  LEU  15          HD13      LEU  15   9.665   7.855   6.620
  113   1HD2  LEU  15          HD21      LEU  15   6.012   8.691   7.554
  114   2HD2  LEU  15          HD22      LEU  15   6.272   6.960   7.974
  115   3HD2  LEU  15          HD23      LEU  15   5.328   7.388   6.509
  116    H    LYS  16           HN       LYS  16   7.716   8.432   1.838
  117    HA   LYS  16           HA       LYS  16   6.910  11.072   1.004
  118   1HB   LYS  16          HB2       LYS  16   8.235   8.852  -0.679
  119   2HB   LYS  16          HB1       LYS  16   8.116  10.588  -1.096
  120   1HG   LYS  16          HG2       LYS  16   9.715   9.351   1.253
  121   2HG   LYS  16          HG1       LYS  16  10.381   9.905  -0.318
  122   1HD   LYS  16          HD2       LYS  16   9.659  12.250   0.192
  123   2HD   LYS  16          HD1       LYS  16   9.037  11.704   1.794
  124   1HE   LYS  16          HE2       LYS  16  11.344  10.959   2.451
  125   2HE   LYS  16          HE1       LYS  16  11.979  11.496   0.842
  126   1HZ   LYS  16          HZ1       LYS  16  11.323  13.709   1.408
  127   2HZ   LYS  16          HZ2       LYS  16  12.301  13.114   2.563
  128   3HZ   LYS  16          HZ3       LYS  16  10.703  13.241   2.838
  129    H    ASN  17           HN       ASN  17   6.510   7.727  -0.298
  130    HA   ASN  17           HA       ASN  17   3.673   8.234  -0.686
  131   1HB   ASN  17          HB2       ASN  17   3.734   6.945  -2.896
  132   2HB   ASN  17          HB1       ASN  17   4.449   8.577  -2.967
  133   1HD2  ASN  17          HD22      ASN  17   5.118   5.348  -3.998
  134   2HD2  ASN  17          HD21      ASN  17   6.832   5.329  -3.810
  135    H    GLY  18           HN       GLY  18   4.349   5.268  -1.921
  136   1HA   GLY  18          HA2       GLY  18   4.944   3.289  -1.221
  137   2HA   GLY  18          HA1       GLY  18   5.501   3.982   0.343
  138    H    LEU  19           HN       LEU  19   3.388   5.064   1.451
  139    HA   LEU  19           HA       LEU  19   1.830   2.718   2.130
  140   1HB   LEU  19          HB2       LEU  19   1.624   5.571   3.259
  141   2HB   LEU  19          HB1       LEU  19   0.815   4.111   3.922
  142    HG   LEU  19           HG       LEU  19   3.861   4.583   3.776
  143   1HD1  LEU  19          HD11      LEU  19   1.927   4.661   6.178
  144   2HD1  LEU  19          HD12      LEU  19   2.732   6.081   5.412
  145   3HD1  LEU  19          HD13      LEU  19   3.720   4.831   6.259
  146   1HD2  LEU  19          HD21      LEU  19   4.016   2.560   5.285
  147   2HD2  LEU  19          HD22      LEU  19   3.419   2.155   3.640
  148   3HD2  LEU  19          HD23      LEU  19   2.261   2.253   5.025
  149    H    CYS  20           HN       CYS  20  -0.472   2.654   2.092
  150    HA   CYS  20           HA       CYS  20  -1.475   3.912  -0.311
  151   1HB   CYS  20          HB2       CYS  20  -2.644   1.783   1.582
  152   2HB   CYS  20          HB1       CYS  20  -3.364   2.286   0.018
  153    H    CYS  21           HN       CYS  21  -3.483   5.157  -0.308
  154    HA   CYS  21           HA       CYS  21  -3.865   6.637   2.091
  155   1HB   CYS  21          HB2       CYS  21  -5.223   6.601  -0.625
  156   2HB   CYS  21          HB1       CYS  21  -6.102   7.322   0.751
  157    H    SER  22           HN       SER  22  -5.412   3.679   0.821
  158    HA   SER  22           HA       SER  22  -7.326   3.718   2.986
  159   1HB   SER  22          HB2       SER  22  -7.902   1.404   1.966
  160   2HB   SER  22          HB1       SER  22  -8.204   2.860   0.956
  161    HG   SER  22           HG       SER  22  -6.325   0.832   0.711
  162    H    GLY  23           HN       GLY  23  -4.072   3.411   3.147
  163   1HA   GLY  23          HA2       GLY  23  -3.061   2.832   4.998
  164   2HA   GLY  23          HA1       GLY  23  -4.447   1.797   5.503
  165    H    ALA  24           HN       ALA  24  -4.695  -0.161   3.705
  166    HA   ALA  24           HA       ALA  24  -2.340  -1.594   4.570
  167   1HB   ALA  24          HB1       ALA  24  -4.781  -2.691   3.054
  168   2HB   ALA  24          HB2       ALA  24  -4.599  -2.668   4.846
  169   3HB   ALA  24          HB3       ALA  24  -3.490  -3.665   3.841
  170    H    CYS  25           HN       CYS  25  -0.704  -2.478   3.264
  171    HA   CYS  25           HA       CYS  25  -0.859  -2.091   0.388
  172   1HB   CYS  25          HB2       CYS  25   0.651  -0.258   1.253
  173   2HB   CYS  25          HB1       CYS  25   1.381  -1.390   2.418
  174    H    VAL  26           HN       VAL  26  -0.577  -4.194  -0.393
  175    HA   VAL  26           HA       VAL  26   1.222  -5.964   1.014
  176    HB   VAL  26           HB       VAL  26  -0.811  -6.406   2.229
  177   1HG1  VAL  26          HG11      VAL  26  -2.942  -7.077   1.163
  178   2HG1  VAL  26          HG12      VAL  26  -2.248  -6.821  -0.477
  179   3HG1  VAL  26          HG13      VAL  26  -2.470  -5.429   0.645
  180   1HG2  VAL  26          HG21      VAL  26  -1.057  -8.819   1.818
  181   2HG2  VAL  26          HG22      VAL  26   0.666  -8.327   1.648
  182   3HG2  VAL  26          HG23      VAL  26  -0.326  -8.662   0.181
  183    H    GLY  27           HN       GLY  27   1.939  -4.647  -1.080
  184   1HA   GLY  27          HA2       GLY  27   2.780  -5.119  -3.125
  185   2HA   GLY  27          HA1       GLY  27   1.583  -6.460  -3.351
  186    H    VAL  28           HN       VAL  28  -0.793  -5.570  -3.095
  187    HA   VAL  28           HA       VAL  28  -1.027  -3.088  -4.665
  188    HB   VAL  28           HB       VAL  28  -3.436  -3.607  -4.882
  189   1HG1  VAL  28          HG11      VAL  28  -1.460  -5.721  -5.978
  190   2HG1  VAL  28          HG12      VAL  28  -1.803  -4.098  -6.686
  191   3HG1  VAL  28          HG13      VAL  28  -3.096  -5.353  -6.642
  192   1HG2  VAL  28          HG21      VAL  28  -4.245  -5.909  -4.388
  193   2HG2  VAL  28          HG22      VAL  28  -3.699  -5.113  -2.878
  194   3HG2  VAL  28          HG23      VAL  28  -2.660  -6.360  -3.673
  195    H    CYS  29           HN       CYS  29  -2.578  -1.533  -3.837
  196    HA   CYS  29           HA       CYS  29  -2.631  -1.395  -0.935
  197   1HB   CYS  29          HB2       CYS  29  -3.916   0.313  -3.157
  198   2HB   CYS  29          HB1       CYS  29  -4.119   0.664  -1.404
  199    H    ALA  30           HN       ALA  30  -4.460  -1.727   0.356
  200    HA   ALA  30           HA       ALA  30  -6.981  -2.211  -0.980
  201   1HB   ALA  30          HB1       ALA  30  -7.399  -4.391   0.193
  202   2HB   ALA  30          HB2       ALA  30  -5.732  -4.334   0.901
  203   3HB   ALA  30          HB3       ALA  30  -5.965  -4.549  -0.867
  204    H    ASP  31           HN       ASP  31  -7.900  -3.286   1.693
  205    HA   ASP  31           HA       ASP  31  -7.388  -0.970   3.388
  206   1HB   ASP  31          HB2       ASP  31  -9.785  -1.264   4.278
  207   2HB   ASP  31          HB1       ASP  31  -9.650  -0.534   2.649
  208    H    LEU  32           HN       LEU  32  -8.132  -1.868   5.723
  209    HA   LEU  32           HA       LEU  32  -6.366  -4.114   6.057
  210   1HB   LEU  32          HB2       LEU  32  -7.910  -2.392   8.088
  211   2HB   LEU  32          HB1       LEU  32  -6.830  -3.757   8.512
  212    HG   LEU  32           HG       LEU  32  -4.899  -2.564   7.417
  213   1HD1  LEU  32          HD11      LEU  32  -5.011  -0.057   7.199
  214   2HD1  LEU  32          HD12      LEU  32  -6.802  -0.124   7.364
  215   3HD1  LEU  32          HD13      LEU  32  -5.982  -0.891   5.948
  216   1HD2  LEU  32          HD21      LEU  32  -5.209  -2.636   9.867
  217   2HD2  LEU  32          HD22      LEU  32  -6.280  -1.187   9.809
  218   3HD2  LEU  32          HD23      LEU  32  -4.537  -1.039   9.376
  219   1HN   NH2  33          H1        NH2  33  -8.103  -5.395   4.721
  220   2HN   NH2  33          H2        NH2  33  -9.283  -6.275   5.685
  Start of MODEL    7
    1   1H    ASP   1          HT1       ASP   1   4.256  15.211  -1.203
    2   2H    ASP   1          HT2       ASP   1   5.341  14.456  -2.134
    3   3H    ASP   1          HT3       ASP   1   5.770  14.942  -0.632
    4    HA   ASP   1           HA       ASP   1   5.260  12.505  -0.908
    5   1HB   ASP   1          HB2       ASP   1   3.542  14.142   1.100
    6   2HB   ASP   1          HB1       ASP   1   3.811  12.363   1.207
    7    H    ASP   2           HN       ASP   2   3.034  11.053  -0.717
    8    HA   ASP   2           HA       ASP   2   0.758  12.146  -1.855
    9   1HB   ASP   2          HB2       ASP   2   2.526  10.152  -3.482
   10   2HB   ASP   2          HB1       ASP   2   0.764  10.389  -3.781
   11    H    CYS   3           HN       CYS   3  -0.429   9.620  -2.166
   12    HA   CYS   3           HA       CYS   3   0.785   7.798  -0.347
   13   1HB   CYS   3          HB2       CYS   3  -1.464   7.122   0.584
   14   2HB   CYS   3          HB1       CYS   3  -0.883   8.678   1.224
   15    H    ILE   4           HN       ILE   4  -0.166   5.666  -1.086
   16    HA   ILE   4           HA       ILE   4  -0.381   5.879  -3.972
   17    HB   ILE   4           HB       ILE   4   0.125   3.449  -2.205
   18   1HG1  ILE   4          HG12      ILE   4   2.077   5.333  -3.683
   19   2HG1  ILE   4          HG11      ILE   4   1.881   5.221  -1.906
   20   1HG2  ILE   4          HG21      ILE   4  -0.749   2.877  -4.510
   21   2HG2  ILE   4          HG22      ILE   4   0.956   2.419  -4.331
   22   3HG2  ILE   4          HG23      ILE   4   0.538   3.906  -5.249
   23   1HD1  ILE   4          HD11      ILE   4   3.881   3.991  -2.574
   24   2HD1  ILE   4          HD12      ILE   4   2.965   3.002  -3.751
   25   3HD1  ILE   4          HD13      ILE   4   2.649   2.817  -1.976
   26    H    LYS   5           HN       LYS   5  -1.948   4.738  -5.141
   27    HA   LYS   5           HA       LYS   5  -4.470   5.498  -4.369
   28   1HB   LYS   5          HB2       LYS   5  -3.582   5.493  -6.731
   29   2HB   LYS   5          HB1       LYS   5  -3.477   3.699  -6.663
   30   1HG   LYS   5          HG2       LYS   5  -6.040   3.657  -6.406
   31   2HG   LYS   5          HG1       LYS   5  -6.029   5.423  -6.752
   32   1HD   LYS   5          HD2       LYS   5  -4.977   4.943  -8.981
   33   2HD   LYS   5          HD1       LYS   5  -4.860   3.197  -8.544
   34   1HE   LYS   5          HE2       LYS   5  -7.380   3.070  -8.380
   35   2HE   LYS   5          HE1       LYS   5  -7.484   4.792  -8.927
   36   1HZ   LYS   5          HZ1       LYS   5  -6.314   2.558 -10.441
   37   2HZ   LYS   5          HZ2       LYS   5  -6.379   4.105 -10.944
   38   3HZ   LYS   5          HZ3       LYS   5  -7.753   3.263 -10.716
   39    HA   HYP   6           HA       HYP   6  -5.790   1.627  -2.539
   40   1HB   HYP   6          HB1       HYP   6  -8.112   1.838  -1.904
   41   2HB   HYP   6          HB2       HYP   6  -8.580   2.391  -3.552
   42   1HD   HYP   6          HD1       HYP   6  -7.263   4.651  -4.415
   43   2HD   HYP   6          HD2       HYP   6  -6.172   5.371  -3.156
   44    HOD  HYP   6           HOD      HYP   6  -6.870   3.180  -0.789
   45    HG   HYP   6           HG       HYP   6  -8.607   4.511  -2.338
   46    H    TYR   7           HN       TYR   7  -5.657  -0.469  -3.524
   47    HA   TYR   7           HA       TYR   7  -5.569  -1.955  -4.993
   48   1HB   TYR   7          HB2       TYR   7  -8.033  -0.713  -6.321
   49   2HB   TYR   7          HB1       TYR   7  -7.352  -2.348  -6.688
   50    HD1  TYR   7           HD1      TYR   7  -9.274  -0.362  -4.277
   51    HD2  TYR   7           HD2      TYR   7  -7.175  -4.066  -4.853
   52    HE1  TYR   7           HE1      TYR   7 -10.296  -1.245  -2.221
   53    HE2  TYR   7           HE2      TYR   7  -8.208  -4.972  -2.806
   54    HH   TYR   7           HH       TYR   7 -10.233  -2.968  -0.659
   55    H    GLY   8           HN       GLY   8  -4.150   0.704  -5.432
   56   1HA   GLY   8          HA2       GLY   8  -3.273   0.088  -8.169
   57   2HA   GLY   8          HA1       GLY   8  -2.808   1.489  -7.101
   58    H    PHE   9           HN       PHE   9  -0.641   0.003  -8.098
   59    HA   PHE   9           HA       PHE   9  -0.057  -2.054  -6.132
   60   1HB   PHE   9          HB2       PHE   9   1.348  -1.128  -8.695
   61   2HB   PHE   9          HB1       PHE   9   2.262  -2.027  -7.433
   62    HD1  PHE   9           HD1      PHE   9  -0.786  -2.275  -9.640
   63    HD2  PHE   9           HD2      PHE   9   2.028  -4.330  -7.115
   64    HE1  PHE   9           HE1      PHE   9  -1.684  -4.446 -10.397
   65    HE2  PHE   9           HE2      PHE   9   1.145  -6.503  -7.905
   66    HZ   PHE   9           HZ       PHE   9  -0.715  -6.562  -9.550
   67    H    CYS  10           HN       CYS  10   1.519  -1.884  -4.585
   68    HA   CYS  10           HA       CYS  10   2.785   0.760  -4.286
   69   1HB   CYS  10          HB2       CYS  10   3.080   0.120  -1.814
   70   2HB   CYS  10          HB1       CYS  10   1.457   0.641  -2.336
   71    H    SER  11           HN       SER  11   3.966  -1.926  -2.333
   72    HA   SER  11           HA       SER  11   5.426  -3.224  -4.219
   73   1HB   SER  11          HB2       SER  11   7.786  -2.402  -3.475
   74   2HB   SER  11          HB1       SER  11   6.902  -1.310  -4.588
   75    HG   SER  11           HG       SER  11   7.624  -0.021  -3.070
   76    H    LEU  12           HN       LEU  12   7.501  -3.886  -2.051
   77    HA   LEU  12           HA       LEU  12   6.053  -4.204   0.314
   78   1HB   LEU  12          HB2       LEU  12   6.870  -6.539  -1.584
   79   2HB   LEU  12          HB1       LEU  12   6.870  -6.804   0.180
   80    HG   LEU  12           HG       LEU  12   4.373  -5.944  -1.384
   81   1HD1  LEU  12          HD11      LEU  12   5.277  -8.783  -0.578
   82   2HD1  LEU  12          HD12      LEU  12   5.107  -8.135  -2.252
   83   3HD1  LEU  12          HD13      LEU  12   3.649  -8.344  -1.215
   84   1HD2  LEU  12          HD21      LEU  12   3.194  -6.863   0.678
   85   2HD2  LEU  12          HD22      LEU  12   4.204  -5.409   1.022
   86   3HD2  LEU  12          HD23      LEU  12   4.795  -7.054   1.471
   87    HA   PRO  13           HA       PRO  13   7.362  -5.971   2.067
   88   1HB   PRO  13          HB2       PRO  13   9.474  -4.577   3.788
   89   2HB   PRO  13          HB1       PRO  13   8.930  -6.303   3.871
   90   1HG   PRO  13          HG1       PRO  13  11.344  -5.677   2.745
   91   2HG   PRO  13          HG2       PRO  13  10.260  -6.870   1.912
   92   1HD   PRO  13          HD1       PRO  13  10.529  -3.854   1.304
   93   2HD   PRO  13          HD2       PRO  13  10.591  -5.260   0.145
   94    H    ILE  14           HN       ILE  14   5.903  -5.104   3.841
   95    HA   ILE  14           HA       ILE  14   5.555  -2.225   3.456
   96    HB   ILE  14           HB       ILE  14   3.612  -3.227   2.749
   97   1HG1  ILE  14          HG12      ILE  14   1.887  -2.545   4.349
   98   2HG1  ILE  14          HG11      ILE  14   3.065  -2.486   5.691
   99   1HG2  ILE  14          HG21      ILE  14   2.337  -4.945   4.029
  100   2HG2  ILE  14          HG22      ILE  14   3.657  -5.043   5.244
  101   3HG2  ILE  14          HG23      ILE  14   3.949  -5.552   3.537
  102   1HD1  ILE  14          HD11      ILE  14   2.467  -0.208   4.745
  103   2HD1  ILE  14          HD12      ILE  14   3.228  -0.678   3.179
  104   3HD1  ILE  14          HD13      ILE  14   4.226  -0.542   4.670
  105    H    LEU  15           HN       LEU  15   6.875  -1.297   4.870
  106    HA   LEU  15           HA       LEU  15   6.116  -1.696   7.661
  107   1HB   LEU  15          HB2       LEU  15   8.952  -0.974   6.630
  108   2HB   LEU  15          HB1       LEU  15   8.416  -0.804   8.339
  109    HG   LEU  15           HG       LEU  15   8.561  -3.430   6.733
  110   1HD1  LEU  15          HD11      LEU  15  10.823  -2.440   7.116
  111   2HD1  LEU  15          HD12      LEU  15  10.595  -3.959   8.056
  112   3HD1  LEU  15          HD13      LEU  15  10.501  -2.364   8.889
  113   1HD2  LEU  15          HD21      LEU  15   8.060  -2.992   9.752
  114   2HD2  LEU  15          HD22      LEU  15   8.325  -4.581   8.948
  115   3HD2  LEU  15          HD23      LEU  15   6.871  -3.610   8.541
  116    H    LYS  16           HN       LYS  16   8.212   0.587   5.796
  117    HA   LYS  16           HA       LYS  16   5.878   2.033   5.081
  118   1HB   LYS  16          HB2       LYS  16   8.463   3.354   6.197
  119   2HB   LYS  16          HB1       LYS  16   7.278   4.194   5.133
  120   1HG   LYS  16          HG2       LYS  16   5.483   3.862   6.825
  121   2HG   LYS  16          HG1       LYS  16   6.646   3.049   7.925
  122   1HD   LYS  16          HD2       LYS  16   7.951   5.142   8.165
  123   2HD   LYS  16          HD1       LYS  16   6.975   5.938   6.882
  124   1HE   LYS  16          HE2       LYS  16   6.260   6.712   9.142
  125   2HE   LYS  16          HE1       LYS  16   4.925   5.828   8.297
  126   1HZ   LYS  16          HZ1       LYS  16   5.467   3.920   9.611
  127   2HZ   LYS  16          HZ2       LYS  16   5.156   5.190  10.576
  128   3HZ   LYS  16          HZ3       LYS  16   6.689   4.691  10.359
  129    H    ASN  17           HN       ASN  17   6.367   2.500   2.876
  130    HA   ASN  17           HA       ASN  17   8.942   2.010   1.772
  131   1HB   ASN  17          HB2       ASN  17   8.237   0.217   0.160
  132   2HB   ASN  17          HB1       ASN  17   8.325  -0.395   1.836
  133   1HD2  ASN  17          HD21      ASN  17   6.476  -0.784  -0.931
  134   2HD2  ASN  17          HD22      ASN  17   5.050  -1.335  -0.116
  135    H    GLY  18           HN       GLY  18   5.379   2.032   1.414
  136   1HA   GLY  18          HA2       GLY  18   5.566   4.712   0.422
  137   2HA   GLY  18          HA1       GLY  18   4.601   3.466  -0.526
  138    H    LEU  19           HN       LEU  19   2.718   5.066   0.573
  139    HA   LEU  19           HA       LEU  19   1.860   3.539   2.879
  140   1HB   LEU  19          HB2       LEU  19   2.712   5.725   3.845
  141   2HB   LEU  19          HB1       LEU  19   1.827   6.622   2.573
  142    HG   LEU  19           HG       LEU  19  -0.356   5.805   3.526
  143   1HD1  LEU  19          HD11      LEU  19  -0.423   4.792   5.814
  144   2HD1  LEU  19          HD12      LEU  19   1.371   4.602   5.789
  145   3HD1  LEU  19          HD13      LEU  19   0.343   3.683   4.629
  146   1HD2  LEU  19          HD21      LEU  19  -0.337   7.291   5.508
  147   2HD2  LEU  19          HD22      LEU  19   0.592   8.013   4.145
  148   3HD2  LEU  19          HD23      LEU  19   1.467   7.267   5.537
  149    H    CYS  20           HN       CYS  20  -0.266   2.944   2.330
  150    HA   CYS  20           HA       CYS  20  -1.228   3.930  -0.243
  151   1HB   CYS  20          HB2       CYS  20  -2.214   1.700   1.609
  152   2HB   CYS  20          HB1       CYS  20  -3.034   2.188   0.094
  153    H    CYS  21           HN       CYS  21  -3.321   4.945  -0.420
  154    HA   CYS  21           HA       CYS  21  -3.747   6.699   1.728
  155   1HB   CYS  21          HB2       CYS  21  -5.695   6.148  -0.572
  156   2HB   CYS  21          HB1       CYS  21  -5.653   7.604   0.467
  157    H    SER  22           HN       SER  22  -5.434   3.656   0.788
  158    HA   SER  22           HA       SER  22  -7.371   3.987   2.890
  159   1HB   SER  22          HB2       SER  22  -8.020   1.604   1.959
  160   2HB   SER  22          HB1       SER  22  -8.308   3.055   0.945
  161    HG   SER  22           HG       SER  22  -6.461   0.993   0.673
  162    H    GLY  23           HN       GLY  23  -4.176   3.434   3.166
  163   1HA   GLY  23          HA2       GLY  23  -3.335   2.918   5.162
  164   2HA   GLY  23          HA1       GLY  23  -4.732   1.850   5.549
  165    H    ALA  24           HN       ALA  24  -4.795  -0.059   3.630
  166    HA   ALA  24           HA       ALA  24  -2.418  -1.444   4.579
  167   1HB   ALA  24          HB1       ALA  24  -4.765  -2.625   2.993
  168   2HB   ALA  24          HB2       ALA  24  -4.654  -2.590   4.782
  169   3HB   ALA  24          HB3       ALA  24  -3.464  -3.544   3.829
  170    H    CYS  25           HN       CYS  25  -0.947  -2.721   3.169
  171    HA   CYS  25           HA       CYS  25  -1.020  -2.162   0.361
  172   1HB   CYS  25          HB2       CYS  25   0.607  -0.392   1.220
  173   2HB   CYS  25          HB1       CYS  25   1.284  -1.580   2.341
  174    H    VAL  26           HN       VAL  26  -0.479  -4.204  -0.496
  175    HA   VAL  26           HA       VAL  26   1.219  -5.968   0.940
  176    HB   VAL  26           HB       VAL  26  -0.798  -6.557   2.119
  177   1HG1  VAL  26          HG11      VAL  26  -2.165  -6.994  -0.621
  178   2HG1  VAL  26          HG12      VAL  26  -2.502  -5.662   0.548
  179   3HG1  VAL  26          HG13      VAL  26  -2.850  -7.366   0.997
  180   1HG2  VAL  26          HG21      VAL  26   0.835  -8.347   1.483
  181   2HG2  VAL  26          HG22      VAL  26  -0.163  -8.734   0.025
  182   3HG2  VAL  26          HG23      VAL  26  -0.849  -8.960   1.672
  183    H    GLY  27           HN       GLY  27   1.988  -4.680  -1.134
  184   1HA   GLY  27          HA2       GLY  27   2.851  -5.107  -3.167
  185   2HA   GLY  27          HA1       GLY  27   1.687  -6.472  -3.418
  186    H    VAL  28           HN       VAL  28  -0.708  -5.522  -3.084
  187    HA   VAL  28           HA       VAL  28  -1.007  -3.107  -4.736
  188    HB   VAL  28           HB       VAL  28  -3.463  -3.760  -4.767
  189   1HG1  VAL  28          HG11      VAL  28  -3.086  -5.410  -6.627
  190   2HG1  VAL  28          HG12      VAL  28  -1.374  -5.618  -6.100
  191   3HG1  VAL  28          HG13      VAL  28  -1.941  -4.022  -6.712
  192   1HG2  VAL  28          HG21      VAL  28  -2.347  -6.497  -3.798
  193   2HG2  VAL  28          HG22      VAL  28  -4.032  -6.124  -4.291
  194   3HG2  VAL  28          HG23      VAL  28  -3.360  -5.377  -2.805
  195    H    CYS  29           HN       CYS  29  -2.492  -1.503  -3.849
  196    HA   CYS  29           HA       CYS  29  -2.370  -1.353  -0.945
  197   1HB   CYS  29          HB2       CYS  29  -3.727   0.370  -3.076
  198   2HB   CYS  29          HB1       CYS  29  -3.811   0.738  -1.323
  199    H    ALA  30           HN       ALA  30  -4.204  -1.536   0.443
  200    HA   ALA  30           HA       ALA  30  -6.698  -2.393  -0.829
  201   1HB   ALA  30          HB1       ALA  30  -5.270  -4.107   1.318
  202   2HB   ALA  30          HB2       ALA  30  -5.447  -4.563  -0.411
  203   3HB   ALA  30          HB3       ALA  30  -6.909  -4.422   0.609
  204    H    ASP  31           HN       ASP  31  -7.466  -3.251   2.085
  205    HA   ASP  31           HA       ASP  31  -7.231  -0.813   3.502
  206   1HB   ASP  31          HB2       ASP  31  -9.818  -0.859   3.933
  207   2HB   ASP  31          HB1       ASP  31  -9.277  -0.122   2.392
  208    H    LEU  32           HN       LEU  32  -8.173  -1.530   5.744
  209    HA   LEU  32           HA       LEU  32  -7.034  -4.148   6.187
  210   1HB   LEU  32          HB2       LEU  32  -8.168  -2.045   8.130
  211   2HB   LEU  32          HB1       LEU  32  -7.478  -3.619   8.626
  212    HG   LEU  32           HG       LEU  32  -5.900  -1.896   9.060
  213   1HD1  LEU  32          HD11      LEU  32  -4.990  -4.101   8.385
  214   2HD1  LEU  32          HD12      LEU  32  -3.880  -2.756   7.940
  215   3HD1  LEU  32          HD13      LEU  32  -4.875  -3.558   6.673
  216   1HD2  LEU  32          HD21      LEU  32  -6.602  -0.164   7.415
  217   2HD2  LEU  32          HD22      LEU  32  -5.785  -1.085   6.091
  218   3HD2  LEU  32          HD23      LEU  32  -4.824  -0.423   7.458
  219   1HN   NH2  33          H1        NH2  33  -8.998  -4.931   4.774
  220   2HN   NH2  33          H2        NH2  33 -10.396  -5.463   5.692
  Start of MODEL    8
    1   1H    ASP   1          HT1       ASP   1   5.022   9.187  -2.537
    2   2H    ASP   1          HT2       ASP   1   5.546  10.413  -1.607
    3   3H    ASP   1          HT3       ASP   1   6.289  10.074  -3.029
    4    HA   ASP   1           HA       ASP   1   4.987  11.932  -3.505
    5   1HB   ASP   1          HB2       ASP   1   3.216   9.434  -4.084
    6   2HB   ASP   1          HB1       ASP   1   2.959  11.054  -4.839
    7    H    ASP   2           HN       ASP   2   1.799  11.230  -3.193
    8    HA   ASP   2           HA       ASP   2   1.744  12.283  -0.481
    9   1HB   ASP   2          HB2       ASP   2  -0.530  11.761  -2.514
   10   2HB   ASP   2          HB1       ASP   2  -0.743  12.432  -0.856
   11    H    CYS   3           HN       CYS   3  -0.263   9.792  -2.191
   12    HA   CYS   3           HA       CYS   3   0.567   7.842  -0.280
   13   1HB   CYS   3          HB2       CYS   3  -1.700   7.074   0.250
   14   2HB   CYS   3          HB1       CYS   3  -1.524   8.758   0.809
   15    H    ILE   4           HN       ILE   4  -0.438   5.758  -1.197
   16    HA   ILE   4           HA       ILE   4  -0.182   5.844  -4.103
   17    HB   ILE   4           HB       ILE   4  -0.042   3.478  -2.170
   18   1HG1  ILE   4          HG12      ILE   4   2.286   5.107  -3.379
   19   2HG1  ILE   4          HG11      ILE   4   1.754   5.161  -1.671
   20   1HG2  ILE   4          HG21      ILE   4   1.036   2.330  -4.147
   21   2HG2  ILE   4          HG22      ILE   4   0.778   3.790  -5.154
   22   3HG2  ILE   4          HG23      ILE   4  -0.618   2.837  -4.531
   23   1HD1  ILE   4          HD11      ILE   4   3.699   3.733  -1.791
   24   2HD1  ILE   4          HD12      ILE   4   2.967   2.723  -3.086
   25   3HD1  ILE   4          HD13      ILE   4   2.270   2.716  -1.415
   26    H    LYS   5           HN       LYS   5  -1.823   4.491  -5.245
   27    HA   LYS   5           HA       LYS   5  -4.298   5.620  -4.472
   28   1HB   LYS   5          HB2       LYS   5  -3.376   5.669  -6.824
   29   2HB   LYS   5          HB1       LYS   5  -3.461   3.875  -6.865
   30   1HG   LYS   5          HG2       LYS   5  -6.020   4.088  -6.596
   31   2HG   LYS   5          HG1       LYS   5  -5.812   5.865  -6.715
   32   1HD   LYS   5          HD2       LYS   5  -6.507   4.984  -8.867
   33   2HD   LYS   5          HD1       LYS   5  -4.824   5.585  -9.013
   34   1HE   LYS   5          HE2       LYS   5  -5.220   3.419 -10.247
   35   2HE   LYS   5          HE1       LYS   5  -3.951   3.242  -8.976
   36   1HZ   LYS   5          HZ1       LYS   5  -5.582   2.233  -7.581
   37   2HZ   LYS   5          HZ2       LYS   5  -5.525   1.442  -8.997
   38   3HZ   LYS   5          HZ3       LYS   5  -6.769   2.439  -8.670
   39    HA   HYP   6           HA       HYP   6  -5.750   1.733  -2.798
   40   1HB   HYP   6          HB1       HYP   6  -8.063   1.967  -2.124
   41   2HB   HYP   6          HB2       HYP   6  -8.499   2.734  -3.700
   42   1HD   HYP   6          HD1       HYP   6  -7.037   5.057  -4.279
   43   2HD   HYP   6          HD2       HYP   6  -5.824   5.425  -2.980
   44    HOD  HYP   6           HOD      HYP   6  -6.713   3.083  -0.882
   45    HG   HYP   6           HG       HYP   6  -8.366   4.698  -2.264
   46    H    TYR   7           HN       TYR   7  -5.806  -0.298  -3.764
   47    HA   TYR   7           HA       TYR   7  -5.803  -1.819  -5.176
   48   1HB   TYR   7          HB2       TYR   7  -8.029  -0.373  -6.711
   49   2HB   TYR   7          HB1       TYR   7  -7.499  -2.075  -7.007
   50    HD1  TYR   7           HD1      TYR   7  -9.705  -0.017  -5.076
   51    HD2  TYR   7           HD2      TYR   7  -7.399  -3.641  -4.916
   52    HE1  TYR   7           HE1      TYR   7 -11.121  -0.824  -3.233
   53    HE2  TYR   7           HE2      TYR   7  -8.811  -4.459  -3.067
   54    HH   TYR   7           HH       TYR   7 -11.563  -2.546  -1.797
   55    H    GLY   8           HN       GLY   8  -4.112   0.693  -5.588
   56   1HA   GLY   8          HA2       GLY   8  -3.176  -0.037  -8.279
   57   2HA   GLY   8          HA1       GLY   8  -2.679   1.379  -7.239
   58    H    PHE   9           HN       PHE   9  -0.639  -0.296  -8.212
   59    HA   PHE   9           HA       PHE   9  -0.061  -2.313  -6.261
   60   1HB   PHE   9          HB2       PHE   9   1.829  -1.054  -8.350
   61   2HB   PHE   9          HB1       PHE   9   2.136  -2.548  -7.385
   62    HD1  PHE   9           HD1      PHE   9   0.445  -4.493  -7.632
   63    HD2  PHE   9           HD2      PHE   9   0.719  -1.242 -10.433
   64    HE1  PHE   9           HE1      PHE   9  -0.739  -5.849  -9.327
   65    HE2  PHE   9           HE2      PHE   9  -0.449  -2.608 -12.129
   66    HZ   PHE   9           HZ       PHE   9  -1.184  -4.910 -11.581
   67    H    CYS  10           HN       CYS  10   1.937  -2.100  -4.740
   68    HA   CYS  10           HA       CYS  10   2.666   0.688  -4.333
   69   1HB   CYS  10          HB2       CYS  10   2.370   0.541  -1.850
   70   2HB   CYS  10          HB1       CYS  10   0.833   0.543  -2.755
   71    H    SER  11           HN       SER  11   4.544   0.659  -2.465
   72    HA   SER  11           HA       SER  11   6.326  -1.445  -2.693
   73   1HB   SER  11          HB2       SER  11   7.915   0.199  -4.142
   74   2HB   SER  11          HB1       SER  11   6.741  -0.838  -5.024
   75    HG   SER  11           HG       SER  11   6.711   1.944  -4.634
   76    H    LEU  12           HN       LEU  12   8.540   0.105  -1.916
   77    HA   LEU  12           HA       LEU  12   7.674   2.180  -0.205
   78   1HB   LEU  12          HB2       LEU  12   9.027  -0.427   0.794
   79   2HB   LEU  12          HB1       LEU  12   8.851   1.062   1.777
   80    HG   LEU  12           HG       LEU  12   6.498  -0.604   0.701
   81   1HD1  LEU  12          HD11      LEU  12   7.827  -1.953   2.286
   82   2HD1  LEU  12          HD12      LEU  12   6.236  -1.494   2.995
   83   3HD1  LEU  12          HD13      LEU  12   7.741  -0.641   3.523
   84   1HD2  LEU  12          HD21      LEU  12   5.874   1.772   1.157
   85   2HD2  LEU  12          HD22      LEU  12   6.528   1.629   2.830
   86   3HD2  LEU  12          HD23      LEU  12   5.105   0.645   2.324
   87    HA   PRO  13           HA       PRO  13  10.468   2.550   1.581
   88   1HB   PRO  13          HB2       PRO  13  11.328   5.150   0.149
   89   2HB   PRO  13          HB1       PRO  13  11.964   4.511   1.721
   90   1HG   PRO  13          HG1       PRO  13  13.361   4.091  -0.592
   91   2HG   PRO  13          HG2       PRO  13  13.144   2.722   0.579
   92   1HD   PRO  13          HD1       PRO  13  11.659   3.219  -2.046
   93   2HD   PRO  13          HD2       PRO  13  12.191   1.660  -1.282
   94    H    ILE  14           HN       ILE  14   9.243   3.759   3.043
   95    HA   ILE  14           HA       ILE  14   6.707   4.437   2.077
   96    HB   ILE  14           HB       ILE  14   7.185   3.244   4.201
   97   1HG1  ILE  14          HG12      ILE  14   5.587   5.826   4.684
   98   2HG1  ILE  14          HG11      ILE  14   5.006   4.407   3.743
   99   1HG2  ILE  14          HG21      ILE  14   8.145   5.976   5.277
  100   2HG2  ILE  14          HG22      ILE  14   9.220   4.591   4.882
  101   3HG2  ILE  14          HG23      ILE  14   8.010   4.438   6.195
  102   1HD1  ILE  14          HD11      ILE  14   5.777   4.423   6.734
  103   2HD1  ILE  14          HD12      ILE  14   5.348   2.947   5.795
  104   3HD1  ILE  14          HD13      ILE  14   4.130   4.253   6.031
  105    H    LEU  15           HN       LEU  15   5.658   6.487   2.180
  106    HA   LEU  15           HA       LEU  15   5.346   8.642   2.117
  107   1HB   LEU  15          HB2       LEU  15   8.119   9.184   3.277
  108   2HB   LEU  15          HB1       LEU  15   6.796  10.376   3.066
  109    HG   LEU  15           HG       LEU  15   6.743   7.908   4.911
  110   1HD1  LEU  15          HD11      LEU  15   7.004  10.906   5.595
  111   2HD1  LEU  15          HD12      LEU  15   8.305   9.662   5.708
  112   3HD1  LEU  15          HD13      LEU  15   6.862   9.554   6.779
  113   1HD2  LEU  15          HD21      LEU  15   4.437   8.390   4.147
  114   2HD2  LEU  15          HD22      LEU  15   4.629  10.136   4.562
  115   3HD2  LEU  15          HD23      LEU  15   4.635   8.886   5.859
  116    H    LYS  16           HN       LYS  16   8.637   7.802   1.148
  117    HA   LYS  16           HA       LYS  16   8.866   9.724  -0.917
  118   1HB   LYS  16          HB2       LYS  16  10.315   7.033  -0.517
  119   2HB   LYS  16          HB1       LYS  16  10.659   8.171  -1.861
  120   1HG   LYS  16          HG2       LYS  16  12.347   8.587  -0.284
  121   2HG   LYS  16          HG1       LYS  16  11.213   9.974  -0.192
  122   1HD   LYS  16          HD2       LYS  16  10.232   8.958   1.924
  123   2HD   LYS  16          HD1       LYS  16  11.418   7.612   1.793
  124   1HE   LYS  16          HE2       LYS  16  13.303   9.306   2.018
  125   2HE   LYS  16          HE1       LYS  16  12.065  10.621   2.171
  126   1HZ   LYS  16          HZ1       LYS  16  12.428   8.345   3.996
  127   2HZ   LYS  16          HZ2       LYS  16  11.247   9.459   4.120
  128   3HZ   LYS  16          HZ3       LYS  16  12.807   9.896   4.283
  129    H    ASN  17           HN       ASN  17   7.858   6.263  -0.834
  130    HA   ASN  17           HA       ASN  17   6.696   6.484  -3.506
  131   1HB   ASN  17          HB2       ASN  17   6.522   4.243  -1.374
  132   2HB   ASN  17          HB1       ASN  17   5.531   4.269  -2.877
  133   1HD2  ASN  17          HD22      ASN  17   9.011   4.589  -1.875
  134   2HD2  ASN  17          HD21      ASN  17   9.641   3.824  -3.319
  135    H    GLY  18           HN       GLY  18   5.304   5.614  -0.235
  136   1HA   GLY  18          HA2       GLY  18   4.035   7.843   0.293
  137   2HA   GLY  18          HA1       GLY  18   2.907   6.949  -0.844
  138    H    LEU  19           HN       LEU  19   1.456   6.070   0.744
  139    HA   LEU  19           HA       LEU  19   2.298   3.583   1.498
  140   1HB   LEU  19          HB2       LEU  19   1.257   3.514   3.738
  141   2HB   LEU  19          HB1       LEU  19   2.740   4.505   3.800
  142    HG   LEU  19           HG       LEU  19  -0.046   5.783   3.511
  143   1HD1  LEU  19          HD11      LEU  19  -0.122   4.267   5.472
  144   2HD1  LEU  19          HD12      LEU  19  -0.153   5.995   5.969
  145   3HD1  LEU  19          HD13      LEU  19   1.366   5.035   6.143
  146   1HD2  LEU  19          HD21      LEU  19   2.625   6.836   4.660
  147   2HD2  LEU  19          HD22      LEU  19   1.058   7.725   4.676
  148   3HD2  LEU  19          HD23      LEU  19   1.855   7.357   3.112
  149    H    CYS  20           HN       CYS  20  -0.387   2.894   2.281
  150    HA   CYS  20           HA       CYS  20  -1.632   3.874  -0.179
  151   1HB   CYS  20          HB2       CYS  20  -2.437   1.689   1.811
  152   2HB   CYS  20          HB1       CYS  20  -3.331   2.090   0.312
  153    H    CYS  21           HN       CYS  21  -3.611   5.075  -0.175
  154    HA   CYS  21           HA       CYS  21  -4.021   6.615   2.169
  155   1HB   CYS  21          HB2       CYS  21  -5.313   6.469  -0.571
  156   2HB   CYS  21          HB1       CYS  21  -6.334   7.098   0.746
  157    H    SER  22           HN       SER  22  -5.543   3.653   0.894
  158    HA   SER  22           HA       SER  22  -7.533   3.677   2.958
  159   1HB   SER  22          HB2       SER  22  -8.024   1.366   1.870
  160   2HB   SER  22          HB1       SER  22  -8.261   2.830   0.861
  161    HG   SER  22           HG       SER  22  -6.287   0.857   0.755
  162    H    GLY  23           HN       GLY  23  -4.245   3.305   3.189
  163   1HA   GLY  23          HA2       GLY  23  -3.439   2.848   5.225
  164   2HA   GLY  23          HA1       GLY  23  -4.699   1.598   5.516
  165    H    ALA  24           HN       ALA  24  -4.553  -0.352   3.903
  166    HA   ALA  24           HA       ALA  24  -1.944  -1.277   4.743
  167   1HB   ALA  24          HB1       ALA  24  -2.817  -3.571   4.366
  168   2HB   ALA  24          HB2       ALA  24  -4.308  -2.886   3.615
  169   3HB   ALA  24          HB3       ALA  24  -3.970  -2.620   5.361
  170    H    CYS  25           HN       CYS  25  -0.356  -2.244   3.425
  171    HA   CYS  25           HA       CYS  25  -0.748  -2.047   0.536
  172   1HB   CYS  25          HB2       CYS  25   0.820  -0.221   1.240
  173   2HB   CYS  25          HB1       CYS  25   1.691  -1.358   2.305
  174    H    VAL  26           HN       VAL  26  -0.646  -4.081  -0.209
  175    HA   VAL  26           HA       VAL  26   1.162  -5.976   1.091
  176    HB   VAL  26           HB       VAL  26  -1.094  -6.784   1.516
  177   1HG1  VAL  26          HG11      VAL  26  -2.711  -7.352  -0.241
  178   2HG1  VAL  26          HG12      VAL  26  -1.654  -6.671  -1.522
  179   3HG1  VAL  26          HG13      VAL  26  -2.352  -5.595  -0.262
  180   1HG2  VAL  26          HG21      VAL  26   0.721  -8.413   1.090
  181   2HG2  VAL  26          HG22      VAL  26   0.274  -8.505  -0.652
  182   3HG2  VAL  26          HG23      VAL  26  -0.893  -9.039   0.602
  183    H    GLY  27           HN       GLY  27   0.320  -7.175  -2.000
  184   1HA   GLY  27          HA2       GLY  27   2.498  -5.674  -3.149
  185   2HA   GLY  27          HA1       GLY  27   1.419  -6.878  -3.951
  186    H    VAL  28           HN       VAL  28  -0.536  -4.746  -2.430
  187    HA   VAL  28           HA       VAL  28  -0.826  -2.853  -4.502
  188    HB   VAL  28           HB       VAL  28  -3.282  -3.292  -4.871
  189   1HG1  VAL  28          HG11      VAL  28  -2.996  -5.093  -6.582
  190   2HG1  VAL  28          HG12      VAL  28  -1.376  -5.497  -5.896
  191   3HG1  VAL  28          HG13      VAL  28  -1.677  -3.874  -6.630
  192   1HG2  VAL  28          HG21      VAL  28  -3.726  -4.735  -2.875
  193   2HG2  VAL  28          HG22      VAL  28  -2.695  -6.042  -3.573
  194   3HG2  VAL  28          HG23      VAL  28  -4.221  -5.555  -4.393
  195    H    CYS  29           HN       CYS  29  -2.546  -1.375  -3.760
  196    HA   CYS  29           HA       CYS  29  -2.519  -1.175  -0.860
  197   1HB   CYS  29          HB2       CYS  29  -3.740   0.515  -3.135
  198   2HB   CYS  29          HB1       CYS  29  -4.016   0.901  -1.404
  199    H    ALA  30           HN       ALA  30  -4.169  -1.787   0.448
  200    HA   ALA  30           HA       ALA  30  -6.777  -2.240  -0.802
  201   1HB   ALA  30          HB1       ALA  30  -7.104  -4.365   0.454
  202   2HB   ALA  30          HB2       ALA  30  -5.432  -4.240   1.142
  203   3HB   ALA  30          HB3       ALA  30  -5.683  -4.532  -0.616
  204    H    ASP  31           HN       ASP  31  -7.622  -3.231   1.879
  205    HA   ASP  31           HA       ASP  31  -7.179  -0.898   3.552
  206   1HB   ASP  31          HB2       ASP  31  -9.645  -1.092   4.291
  207   2HB   ASP  31          HB1       ASP  31  -9.384  -0.422   2.657
  208    H    LEU  32           HN       LEU  32  -8.808  -2.193   5.705
  209    HA   LEU  32           HA       LEU  32  -7.681  -4.804   5.918
  210   1HB   LEU  32          HB2       LEU  32  -6.115  -3.259   7.332
  211   2HB   LEU  32          HB1       LEU  32  -7.587  -2.601   8.113
  212    HG   LEU  32           HG       LEU  32  -8.115  -4.935   8.975
  213   1HD1  LEU  32          HD11      LEU  32  -6.298  -6.667   9.000
  214   2HD1  LEU  32          HD12      LEU  32  -5.291  -5.631   7.923
  215   3HD1  LEU  32          HD13      LEU  32  -6.838  -6.323   7.320
  216   1HD2  LEU  32          HD21      LEU  32  -6.992  -3.237  10.408
  217   2HD2  LEU  32          HD22      LEU  32  -5.377  -3.805   9.839
  218   3HD2  LEU  32          HD23      LEU  32  -6.436  -4.905  10.801
  219   1HN   NH2  33          H1        NH2  33 -11.073  -5.030   7.155
  220   2HN   NH2  33          H2        NH2  33  -9.580  -5.890   6.970
  Start of MODEL    9
    1   1H    ASP   1          HT1       ASP   1   1.128  15.016   2.334
    2   2H    ASP   1          HT2       ASP   1   2.677  15.297   1.972
    3   3H    ASP   1          HT3       ASP   1   2.251  15.008   3.527
    4    HA   ASP   1           HA       ASP   1   3.307  13.087   2.412
    5   1HB   ASP   1          HB2       ASP   1   0.326  12.770   3.226
    6   2HB   ASP   1          HB1       ASP   1   1.437  11.376   2.968
    7    H    ASP   2           HN       ASP   2   2.200  11.047   0.912
    8    HA   ASP   2           HA       ASP   2   0.463  11.977  -1.073
    9   1HB   ASP   2          HB2       ASP   2   3.327  10.929  -1.750
   10   2HB   ASP   2          HB1       ASP   2   1.958  10.958  -2.923
   11    H    CYS   3           HN       CYS   3  -0.127   9.546  -2.045
   12    HA   CYS   3           HA       CYS   3   0.878   7.496  -0.404
   13   1HB   CYS   3          HB2       CYS   3  -1.428   6.761   0.390
   14   2HB   CYS   3          HB1       CYS   3  -0.753   8.157   1.262
   15    H    ILE   4           HN       ILE   4  -0.163   5.503  -1.234
   16    HA   ILE   4           HA       ILE   4  -0.451   5.786  -4.112
   17    HB   ILE   4           HB       ILE   4  -0.171   3.323  -2.342
   18   1HG1  ILE   4          HG12      ILE   4   1.840   4.810  -2.145
   19   2HG1  ILE   4          HG11      ILE   4   2.142   3.187  -2.823
   20   1HG2  ILE   4          HG21      ILE   4   0.554   2.204  -4.508
   21   2HG2  ILE   4          HG22      ILE   4   0.075   3.679  -5.418
   22   3HG2  ILE   4          HG23      ILE   4  -1.156   2.705  -4.529
   23   1HD1  ILE   4          HD11      ILE   4   2.296   4.131  -5.142
   24   2HD1  ILE   4          HD12      ILE   4   3.441   4.954  -4.033
   25   3HD1  ILE   4          HD13      ILE   4   1.909   5.774  -4.499
   26    H    LYS   5           HN       LYS   5  -2.203   4.712  -5.220
   27    HA   LYS   5           HA       LYS   5  -4.659   5.509  -4.088
   28   1HB   LYS   5          HB2       LYS   5  -3.994   5.870  -6.512
   29   2HB   LYS   5          HB1       LYS   5  -3.981   4.091  -6.752
   30   1HG   LYS   5          HG2       LYS   5  -6.462   4.034  -6.300
   31   2HG   LYS   5          HG1       LYS   5  -6.437   5.819  -6.053
   32   1HD   LYS   5          HD2       LYS   5  -5.688   6.116  -8.430
   33   2HD   LYS   5          HD1       LYS   5  -5.667   4.324  -8.636
   34   1HE   LYS   5          HE2       LYS   5  -8.144   4.231  -8.164
   35   2HE   LYS   5          HE1       LYS   5  -8.168   6.034  -7.988
   36   1HZ   LYS   5          HZ1       LYS   5  -7.432   6.170 -10.261
   37   2HZ   LYS   5          HZ2       LYS   5  -8.818   5.325 -10.159
   38   3HZ   LYS   5          HZ3       LYS   5  -7.411   4.549 -10.412
   39    HA   HYP   6           HA       HYP   6  -5.690   1.450  -2.673
   40   1HB   HYP   6          HB1       HYP   6  -7.940   1.404  -1.869
   41   2HB   HYP   6          HB2       HYP   6  -8.583   2.027  -3.434
   42   1HD   HYP   6          HD1       HYP   6  -7.552   4.422  -4.208
   43   2HD   HYP   6          HD2       HYP   6  -6.424   5.181  -3.006
   44    HOD  HYP   6           HOD      HYP   6  -6.808   2.828  -0.652
   45    HG   HYP   6           HG       HYP   6  -8.676   4.053  -2.030
   46    H    TYR   7           HN       TYR   7  -5.582  -0.594  -3.742
   47    HA   TYR   7           HA       TYR   7  -5.423  -1.991  -5.270
   48   1HB   TYR   7          HB2       TYR   7  -7.916  -0.766  -6.564
   49   2HB   TYR   7          HB1       TYR   7  -7.203  -2.375  -6.978
   50    HD1  TYR   7           HD1      TYR   7  -9.352  -0.607  -4.649
   51    HD2  TYR   7           HD2      TYR   7  -6.800  -4.040  -5.067
   52    HE1  TYR   7           HE1      TYR   7 -10.332  -1.584  -2.603
   53    HE2  TYR   7           HE2      TYR   7  -7.749  -5.011  -3.025
   54    HH   TYR   7           HH       TYR   7  -9.141  -4.669  -1.241
   55    H    GLY   8           HN       GLY   8  -4.027   0.643  -5.588
   56   1HA   GLY   8          HA2       GLY   8  -3.053   0.062  -8.307
   57   2HA   GLY   8          HA1       GLY   8  -2.657   1.483  -7.239
   58    H    PHE   9           HN       PHE   9  -0.474  -0.186  -8.183
   59    HA   PHE   9           HA       PHE   9   0.037  -2.067  -6.030
   60   1HB   PHE   9          HB2       PHE   9   1.583  -1.381  -8.590
   61   2HB   PHE   9          HB1       PHE   9   2.386  -2.215  -7.215
   62    HD1  PHE   9           HD1      PHE   9   2.010  -4.477  -6.714
   63    HD2  PHE   9           HD2      PHE   9  -0.481  -2.533  -9.634
   64    HE1  PHE   9           HE1      PHE   9   1.116  -6.675  -7.418
   65    HE2  PHE   9           HE2      PHE   9  -1.387  -4.728 -10.316
   66    HZ   PHE   9           HZ       PHE   9  -0.581  -6.802  -9.226
   67    H    CYS  10           HN       CYS  10   1.599  -1.780  -4.450
   68    HA   CYS  10           HA       CYS  10   2.470   1.033  -4.133
   69   1HB   CYS  10          HB2       CYS  10   2.665   0.475  -1.637
   70   2HB   CYS  10          HB1       CYS  10   1.028   0.637  -2.304
   71    H    SER  11           HN       SER  11   4.630   0.842  -2.442
   72    HA   SER  11           HA       SER  11   6.341  -1.179  -3.398
   73   1HB   SER  11          HB2       SER  11   8.014   0.662  -4.214
   74   2HB   SER  11          HB1       SER  11   6.644   0.330  -5.337
   75    HG   SER  11           HG       SER  11   6.886   2.504  -5.109
   76    H    LEU  12           HN       LEU  12   8.541  -0.456  -2.101
   77    HA   LEU  12           HA       LEU  12   8.073   1.199   0.084
   78   1HB   LEU  12          HB2       LEU  12   8.855  -1.794   0.368
   79   2HB   LEU  12          HB1       LEU  12   9.071  -0.580   1.667
   80    HG   LEU  12           HG       LEU  12   6.361  -1.410   0.460
   81   1HD1  LEU  12          HD11      LEU  12   5.970  -2.679   2.567
   82   2HD1  LEU  12          HD12      LEU  12   7.651  -2.317   3.114
   83   3HD1  LEU  12          HD13      LEU  12   7.370  -3.331   1.645
   84   1HD2  LEU  12          HD21      LEU  12   5.325  -0.259   2.392
   85   2HD2  LEU  12          HD22      LEU  12   6.306   0.892   1.427
   86   3HD2  LEU  12          HD23      LEU  12   6.946   0.261   2.994
   87    HA   PRO  13           HA       PRO  13  10.519   1.106   1.750
   88   1HB   PRO  13          HB2       PRO  13  12.319   3.262   1.709
   89   2HB   PRO  13          HB1       PRO  13  12.855   1.540   1.643
   90   1HG   PRO  13          HG1       PRO  13  12.405   3.443  -0.725
   91   2HG   PRO  13          HG2       PRO  13  13.866   2.427  -0.372
   92   1HD   PRO  13          HD1       PRO  13  11.873   1.582  -2.101
   93   2HD   PRO  13          HD2       PRO  13  12.667   0.390  -0.979
   94    H    ILE  14           HN       ILE  14   9.923   3.115   2.982
   95    HA   ILE  14           HA       ILE  14   7.873   4.541   1.537
   96    HB   ILE  14           HB       ILE  14   7.214   3.499   3.569
   97   1HG1  ILE  14          HG12      ILE  14   6.225   5.760   3.039
   98   2HG1  ILE  14          HG11      ILE  14   6.081   5.164   4.712
   99   1HG2  ILE  14          HG21      ILE  14   9.507   4.968   5.018
  100   2HG2  ILE  14          HG22      ILE  14   9.340   3.196   4.747
  101   3HG2  ILE  14          HG23      ILE  14   8.181   4.050   5.810
  102   1HD1  ILE  14          HD11      ILE  14   7.924   6.713   5.449
  103   2HD1  ILE  14          HD12      ILE  14   6.523   7.572   4.725
  104   3HD1  ILE  14          HD13      ILE  14   8.030   7.375   3.777
  105    H    LEU  15           HN       LEU  15   8.392   6.426   0.592
  106    HA   LEU  15           HA       LEU  15  10.254   8.195   1.973
  107   1HB   LEU  15          HB2       LEU  15  10.370   7.452  -1.026
  108   2HB   LEU  15          HB1       LEU  15  11.099   8.954  -0.358
  109    HG   LEU  15           HG       LEU  15  11.863   6.089   0.468
  110   1HD1  LEU  15          HD11      LEU  15  13.912   6.406  -0.898
  111   2HD1  LEU  15          HD12      LEU  15  13.329   8.026  -1.438
  112   3HD1  LEU  15          HD13      LEU  15  12.436   6.532  -1.922
  113   1HD2  LEU  15          HD21      LEU  15  12.389   7.668   2.285
  114   2HD2  LEU  15          HD22      LEU  15  13.185   8.807   1.134
  115   3HD2  LEU  15          HD23      LEU  15  13.909   7.190   1.465
  116    H    LYS  16           HN       LYS  16   8.436   8.079  -1.145
  117    HA   LYS  16           HA       LYS  16   6.595  10.120  -0.112
  118   1HB   LYS  16          HB2       LYS  16   8.129  10.240  -2.800
  119   2HB   LYS  16          HB1       LYS  16   6.704  11.259  -2.389
  120   1HG   LYS  16          HG2       LYS  16   7.967  12.351  -0.550
  121   2HG   LYS  16          HG1       LYS  16   9.376  11.280  -0.850
  122   1HD   LYS  16          HD2       LYS  16   9.831  13.443  -1.809
  123   2HD   LYS  16          HD1       LYS  16   9.634  12.260  -3.149
  124   1HE   LYS  16          HE2       LYS  16   7.326  13.145  -3.615
  125   2HE   LYS  16          HE1       LYS  16   7.455  14.253  -2.189
  126   1HZ   LYS  16          HZ1       LYS  16   7.961  15.433  -4.117
  127   2HZ   LYS  16          HZ2       LYS  16   9.035  14.342  -4.664
  128   3HZ   LYS  16          HZ3       LYS  16   9.378  15.232  -3.345
  129    H    ASN  17           HN       ASN  17   6.150   7.443  -0.012
  130    HA   ASN  17           HA       ASN  17   4.259   6.687  -1.815
  131   1HB   ASN  17          HB2       ASN  17   5.534   4.875  -3.036
  132   2HB   ASN  17          HB1       ASN  17   6.182   6.469  -3.522
  133   1HD2  ASN  17          HD22      ASN  17   7.192   3.366  -2.711
  134   2HD2  ASN  17          HD21      ASN  17   8.553   3.695  -1.662
  135    H    GLY  18           HN       GLY  18   4.265   4.059  -1.089
  136   1HA   GLY  18          HA2       GLY  18   5.121   2.539   0.424
  137   2HA   GLY  18          HA1       GLY  18   5.543   3.874   1.563
  138    H    LEU  19           HN       LEU  19   3.327   5.415   1.545
  139    HA   LEU  19           HA       LEU  19   1.534   3.815   3.136
  140   1HB   LEU  19          HB2       LEU  19   1.480   6.780   2.291
  141   2HB   LEU  19          HB1       LEU  19   0.265   6.037   3.386
  142    HG   LEU  19           HG       LEU  19   3.260   5.994   4.051
  143   1HD1  LEU  19          HD11      LEU  19   2.947   8.063   5.389
  144   2HD1  LEU  19          HD12      LEU  19   1.259   8.232   4.776
  145   3HD1  LEU  19          HD13      LEU  19   2.652   8.368   3.642
  146   1HD2  LEU  19          HD21      LEU  19   2.427   5.800   6.407
  147   2HD2  LEU  19          HD22      LEU  19   1.792   4.460   5.385
  148   3HD2  LEU  19          HD23      LEU  19   0.724   5.841   5.820
  149    H    CYS  20           HN       CYS  20  -0.394   2.970   2.398
  150    HA   CYS  20           HA       CYS  20  -1.346   3.782  -0.250
  151   1HB   CYS  20          HB2       CYS  20  -2.242   1.626   1.752
  152   2HB   CYS  20          HB1       CYS  20  -3.151   2.034   0.267
  153    H    CYS  21           HN       CYS  21  -3.375   4.907  -0.414
  154    HA   CYS  21           HA       CYS  21  -3.764   6.631   1.757
  155   1HB   CYS  21          HB2       CYS  21  -5.720   6.142  -0.545
  156   2HB   CYS  21          HB1       CYS  21  -5.666   7.578   0.531
  157    H    SER  22           HN       SER  22  -5.431   3.579   0.882
  158    HA   SER  22           HA       SER  22  -7.316   3.888   3.036
  159   1HB   SER  22          HB2       SER  22  -7.954   1.490   2.222
  160   2HB   SER  22          HB1       SER  22  -8.248   2.865   1.111
  161    HG   SER  22           HG       SER  22  -6.390   0.786   0.985
  162    H    GLY  23           HN       GLY  23  -4.073   3.395   3.202
  163   1HA   GLY  23          HA2       GLY  23  -3.142   2.918   5.170
  164   2HA   GLY  23          HA1       GLY  23  -4.477   1.785   5.607
  165    H    ALA  24           HN       ALA  24  -4.604  -0.169   3.898
  166    HA   ALA  24           HA       ALA  24  -2.129  -1.437   4.606
  167   1HB   ALA  24          HB1       ALA  24  -3.193  -3.569   3.902
  168   2HB   ALA  24          HB2       ALA  24  -4.564  -2.650   3.179
  169   3HB   ALA  24          HB3       ALA  24  -4.310  -2.641   4.966
  170    H    CYS  25           HN       CYS  25  -0.538  -2.282   3.273
  171    HA   CYS  25           HA       CYS  25  -0.756  -1.935   0.388
  172   1HB   CYS  25          HB2       CYS  25   0.961  -0.277   1.249
  173   2HB   CYS  25          HB1       CYS  25   1.625  -1.522   2.332
  174    H    VAL  26           HN       VAL  26  -0.722  -4.026  -0.438
  175    HA   VAL  26           HA       VAL  26   0.666  -6.087   1.074
  176    HB   VAL  26           HB       VAL  26  -1.622  -6.033   1.972
  177   1HG1  VAL  26          HG11      VAL  26  -2.601  -6.368  -0.941
  178   2HG1  VAL  26          HG12      VAL  26  -2.822  -4.925   0.114
  179   3HG1  VAL  26          HG13      VAL  26  -3.610  -6.479   0.546
  180   1HG2  VAL  26          HG21      VAL  26  -0.453  -8.206   1.792
  181   2HG2  VAL  26          HG22      VAL  26  -1.165  -8.478   0.154
  182   3HG2  VAL  26          HG23      VAL  26  -2.233  -8.392   1.596
  183    H    GLY  27           HN       GLY  27   1.586  -4.610  -1.047
  184   1HA   GLY  27          HA2       GLY  27   2.624  -5.180  -3.001
  185   2HA   GLY  27          HA1       GLY  27   1.410  -6.489  -3.299
  186    H    VAL  28           HN       VAL  28  -0.949  -5.539  -3.203
  187    HA   VAL  28           HA       VAL  28  -1.073  -3.064  -4.773
  188    HB   VAL  28           HB       VAL  28  -3.517  -3.512  -4.932
  189   1HG1  VAL  28          HG11      VAL  28  -1.629  -5.694  -6.046
  190   2HG1  VAL  28          HG12      VAL  28  -1.898  -4.064  -6.754
  191   3HG1  VAL  28          HG13      VAL  28  -3.249  -5.254  -6.703
  192   1HG2  VAL  28          HG21      VAL  28  -2.767  -6.279  -3.731
  193   2HG2  VAL  28          HG22      VAL  28  -4.365  -5.788  -4.386
  194   3HG2  VAL  28          HG23      VAL  28  -3.741  -5.001  -2.899
  195    H    CYS  29           HN       CYS  29  -2.581  -1.414  -3.875
  196    HA   CYS  29           HA       CYS  29  -2.498  -1.360  -0.954
  197   1HB   CYS  29          HB2       CYS  29  -3.780   0.459  -3.068
  198   2HB   CYS  29          HB1       CYS  29  -3.931   0.761  -1.306
  199    H    ALA  30           HN       ALA  30  -4.364  -1.555   0.406
  200    HA   ALA  30           HA       ALA  30  -6.903  -2.062  -0.847
  201   1HB   ALA  30          HB1       ALA  30  -5.823  -4.390  -0.913
  202   2HB   ALA  30          HB2       ALA  30  -7.243  -4.324   0.180
  203   3HB   ALA  30          HB3       ALA  30  -5.570  -4.287   0.862
  204    H    ASP  31           HN       ASP  31  -7.713  -3.355   1.867
  205    HA   ASP  31           HA       ASP  31  -6.749  -1.551   3.798
  206   1HB   ASP  31          HB2       ASP  31  -9.145  -1.179   4.695
  207   2HB   ASP  31          HB1       ASP  31  -8.717  -0.162   3.287
  208    H    LEU  32           HN       LEU  32  -7.352  -2.836   5.890
  209    HA   LEU  32           HA       LEU  32  -8.472  -5.359   5.611
  210   1HB   LEU  32          HB2       LEU  32  -5.457  -4.970   6.290
  211   2HB   LEU  32          HB1       LEU  32  -6.395  -6.388   6.864
  212    HG   LEU  32           HG       LEU  32  -5.906  -5.704   3.904
  213   1HD1  LEU  32          HD11      LEU  32  -3.757  -6.244   5.007
  214   2HD1  LEU  32          HD12      LEU  32  -4.261  -7.574   3.904
  215   3HD1  LEU  32          HD13      LEU  32  -4.453  -7.765   5.687
  216   1HD2  LEU  32          HD21      LEU  32  -7.960  -7.060   4.197
  217   2HD2  LEU  32          HD22      LEU  32  -7.076  -8.236   5.241
  218   3HD2  LEU  32          HD23      LEU  32  -6.657  -8.073   3.494
  219   1HN   NH2  33          H1        NH2  33  -8.557  -5.865   8.152
  220   2HN   NH2  33          H2        NH2  33  -8.504  -4.481   9.190
  Start of MODEL   10
    1   1H    ASP   1          HT1       ASP   1   5.435   9.026  -4.813
    2   2H    ASP   1          HT2       ASP   1   3.843   9.065  -4.394
    3   3H    ASP   1          HT3       ASP   1   4.919   8.178  -3.523
    4    HA   ASP   1           HA       ASP   1   5.592   9.862  -2.314
    5   1HB   ASP   1          HB2       ASP   1   5.030  11.654  -4.780
    6   2HB   ASP   1          HB1       ASP   1   5.568  12.300  -3.188
    7    H    ASP   2           HN       ASP   2   4.240  11.295  -0.911
    8    HA   ASP   2           HA       ASP   2   2.473  11.842   0.094
    9   1HB   ASP   2          HB2       ASP   2   1.774  13.104  -2.015
   10   2HB   ASP   2          HB1       ASP   2   0.704  11.725  -2.409
   11    H    CYS   3           HN       CYS   3   0.237   9.883  -1.949
   12    HA   CYS   3           HA       CYS   3   0.763   7.638  -0.237
   13   1HB   CYS   3          HB2       CYS   3  -1.481   7.161   0.367
   14   2HB   CYS   3          HB1       CYS   3  -1.193   8.847   0.873
   15    H    ILE   4           HN       ILE   4  -0.407   5.754  -1.218
   16    HA   ILE   4           HA       ILE   4  -0.309   5.960  -4.138
   17    HB   ILE   4           HB       ILE   4   0.011   3.499  -2.353
   18   1HG1  ILE   4          HG12      ILE   4   2.226   5.218  -3.642
   19   2HG1  ILE   4          HG11      ILE   4   1.829   5.185  -1.893
   20   1HG2  ILE   4          HG21      ILE   4   1.022   2.536  -4.486
   21   2HG2  ILE   4          HG22      ILE   4   0.562   4.027  -5.362
   22   3HG2  ILE   4          HG23      ILE   4  -0.700   2.931  -4.668
   23   1HD1  ILE   4          HD11      ILE   4   3.722   3.729  -2.226
   24   2HD1  ILE   4          HD12      ILE   4   2.891   2.807  -3.523
   25   3HD1  ILE   4          HD13      ILE   4   2.287   2.729  -1.812
   26    H    LYS   5           HN       LYS   5  -1.967   4.477  -5.132
   27    HA   LYS   5           HA       LYS   5  -4.382   5.612  -4.157
   28   1HB   LYS   5          HB2       LYS   5  -3.517   6.011  -6.446
   29   2HB   LYS   5          HB1       LYS   5  -3.585   4.251  -6.801
   30   1HG   LYS   5          HG2       LYS   5  -6.010   4.242  -6.752
   31   2HG   LYS   5          HG1       LYS   5  -6.083   5.916  -6.095
   32   1HD   LYS   5          HD2       LYS   5  -4.876   5.191  -8.841
   33   2HD   LYS   5          HD1       LYS   5  -6.606   5.602  -8.612
   34   1HE   LYS   5          HE2       LYS   5  -4.239   7.488  -7.951
   35   2HE   LYS   5          HE1       LYS   5  -5.275   7.566  -9.429
   36   1HZ   LYS   5          HZ1       LYS   5  -6.227   7.906  -6.666
   37   2HZ   LYS   5          HZ2       LYS   5  -7.132   7.999  -8.011
   38   3HZ   LYS   5          HZ3       LYS   5  -5.961   9.092  -7.746
   39    HA   HYP   6           HA       HYP   6  -5.803   1.735  -2.702
   40   1HB   HYP   6          HB1       HYP   6  -8.052   1.946  -1.933
   41   2HB   HYP   6          HB2       HYP   6  -8.628   2.506  -3.542
   42   1HD   HYP   6          HD1       HYP   6  -7.374   4.741  -4.486
   43   2HD   HYP   6          HD2       HYP   6  -6.235   5.512  -3.294
   44    HOD  HYP   6           HOD      HYP   6  -6.659   3.321  -0.944
   45    HG   HYP   6           HG       HYP   6  -8.575   4.645  -2.324
   46    H    TYR   7           HN       TYR   7  -5.809  -0.339  -3.615
   47    HA   TYR   7           HA       TYR   7  -5.651  -1.843  -5.026
   48   1HB   TYR   7          HB2       TYR   7  -8.181  -0.729  -6.323
   49   2HB   TYR   7          HB1       TYR   7  -7.440  -2.335  -6.724
   50    HD1  TYR   7           HD1      TYR   7  -9.588  -0.592  -4.377
   51    HD2  TYR   7           HD2      TYR   7  -6.925  -3.940  -4.778
   52    HE1  TYR   7           HE1      TYR   7 -10.576  -1.609  -2.365
   53    HE2  TYR   7           HE2      TYR   7  -7.904  -4.962  -2.758
   54    HH   TYR   7           HH       TYR   7 -10.481  -3.338  -0.866
   55    H    GLY   8           HN       GLY   8  -4.195   0.649  -5.507
   56   1HA   GLY   8          HA2       GLY   8  -3.315  -0.049  -8.222
   57   2HA   GLY   8          HA1       GLY   8  -2.827   1.376  -7.191
   58    H    PHE   9           HN       PHE   9  -0.751  -0.208  -8.169
   59    HA   PHE   9           HA       PHE   9  -0.129  -2.316  -6.329
   60   1HB   PHE   9          HB2       PHE   9   1.615  -0.888  -8.451
   61   2HB   PHE   9          HB1       PHE   9   2.165  -2.277  -7.442
   62    HD1  PHE   9           HD1      PHE   9   1.185  -4.519  -7.724
   63    HD2  PHE   9           HD2      PHE   9   0.089  -1.266 -10.313
   64    HE1  PHE   9           HE1      PHE   9   0.307  -6.131  -9.376
   65    HE2  PHE   9           HE2      PHE   9  -0.792  -2.878 -11.966
   66    HZ   PHE   9           HZ       PHE   9  -0.671  -5.313 -11.514
   67    H    CYS  10           HN       CYS  10   1.759  -2.166  -4.724
   68    HA   CYS  10           HA       CYS  10   2.883   0.403  -4.392
   69   1HB   CYS  10          HB2       CYS  10   2.465   0.593  -1.960
   70   2HB   CYS  10          HB1       CYS  10   0.922   0.726  -2.853
   71    H    SER  11           HN       SER  11   4.433  -0.299  -2.108
   72    HA   SER  11           HA       SER  11   5.130  -2.952  -2.141
   73   1HB   SER  11          HB2       SER  11   7.508  -2.528  -3.176
   74   2HB   SER  11          HB1       SER  11   6.166  -2.668  -4.366
   75    HG   SER  11           HG       SER  11   7.611  -0.902  -4.717
   76    H    LEU  12           HN       LEU  12   7.489  -2.774  -0.950
   77    HA   LEU  12           HA       LEU  12   8.110  -0.318   0.182
   78   1HB   LEU  12          HB2       LEU  12   7.811  -2.952   1.831
   79   2HB   LEU  12          HB1       LEU  12   8.841  -1.579   2.320
   80    HG   LEU  12           HG       LEU  12   6.979  -1.450   3.691
   81   1HD1  LEU  12          HD11      LEU  12   5.890   0.705   3.185
   82   2HD1  LEU  12          HD12      LEU  12   6.371   0.597   1.457
   83   3HD1  LEU  12          HD13      LEU  12   7.632   0.765   2.743
   84   1HD2  LEU  12          HD21      LEU  12   5.471  -3.016   2.456
   85   2HD2  LEU  12          HD22      LEU  12   4.992  -1.674   1.352
   86   3HD2  LEU  12          HD23      LEU  12   4.627  -1.573   3.111
   87    HA   PRO  13           HA       PRO  13  10.508  -0.349   1.375
   88   1HB   PRO  13          HB2       PRO  13  13.060   0.211   0.364
   89   2HB   PRO  13          HB1       PRO  13  12.714  -1.177   1.466
   90   1HG   PRO  13          HG1       PRO  13  12.921  -1.196  -1.589
   91   2HG   PRO  13          HG2       PRO  13  13.704  -2.331  -0.402
   92   1HD   PRO  13          HD1       PRO  13  11.303  -2.927  -1.719
   93   2HD   PRO  13          HD2       PRO  13  11.625  -3.491  -0.024
   94    H    ILE  14           HN       ILE  14  11.370   1.967   0.874
   95    HA   ILE  14           HA       ILE  14   9.443   2.989  -0.911
   96    HB   ILE  14           HB       ILE  14  10.385   5.220  -0.039
   97   1HG1  ILE  14          HG12      ILE  14  12.615   3.994   0.782
   98   2HG1  ILE  14          HG11      ILE  14  11.892   5.362   1.669
   99   1HG2  ILE  14          HG21      ILE  14   9.111   3.143   1.869
  100   2HG2  ILE  14          HG22      ILE  14   8.254   4.242   0.741
  101   3HG2  ILE  14          HG23      ILE  14   9.143   4.921   2.134
  102   1HD1  ILE  14          HD11      ILE  14  12.700   3.555   3.190
  103   2HD1  ILE  14          HD12      ILE  14  11.450   2.430   2.559
  104   3HD1  ILE  14          HD13      ILE  14  10.969   3.939   3.408
  105    H    LEU  15           HN       LEU  15   9.737   3.417  -3.028
  106    HA   LEU  15           HA       LEU  15  12.441   4.200  -3.962
  107   1HB   LEU  15          HB2       LEU  15   9.959   2.960  -5.305
  108   2HB   LEU  15          HB1       LEU  15  11.132   3.921  -6.273
  109    HG   LEU  15           HG       LEU  15  12.935   2.378  -5.832
  110   1HD1  LEU  15          HD11      LEU  15  12.551   1.571  -3.567
  111   2HD1  LEU  15          HD12      LEU  15  12.516   0.149  -4.662
  112   3HD1  LEU  15          HD13      LEU  15  10.975   0.830  -4.020
  113   1HD2  LEU  15          HD21      LEU  15  11.404   1.909  -7.748
  114   2HD2  LEU  15          HD22      LEU  15  10.355   0.903  -6.675
  115   3HD2  LEU  15          HD23      LEU  15  12.038   0.379  -7.043
  116    H    LYS  16           HN       LYS  16   8.912   4.740  -4.518
  117    HA   LYS  16           HA       LYS  16   9.253   7.580  -4.137
  118   1HB   LYS  16          HB2       LYS  16   8.105   8.044  -6.431
  119   2HB   LYS  16          HB1       LYS  16   9.857   7.700  -6.415
  120   1HG   LYS  16          HG2       LYS  16   9.379   5.283  -7.060
  121   2HG   LYS  16          HG1       LYS  16   7.640   5.709  -7.187
  122   1HD   LYS  16          HD2       LYS  16   8.730   5.650  -9.399
  123   2HD   LYS  16          HD1       LYS  16   8.116   7.294  -9.017
  124   1HE   LYS  16          HE2       LYS  16  10.357   7.335 -10.165
  125   2HE   LYS  16          HE1       LYS  16  10.471   8.069  -8.520
  126   1HZ   LYS  16          HZ1       LYS  16  12.251   6.539  -9.001
  127   2HZ   LYS  16          HZ2       LYS  16  11.208   5.307  -9.191
  128   3HZ   LYS  16          HZ3       LYS  16  11.370   6.011  -7.739
  129    H    ASN  17           HN       ASN  17   8.189   5.625  -2.651
  130    HA   ASN  17           HA       ASN  17   5.526   4.938  -3.469
  131   1HB   ASN  17          HB2       ASN  17   7.247   4.183  -1.020
  132   2HB   ASN  17          HB1       ASN  17   5.608   3.510  -1.316
  133   1HD2  ASN  17          HD22      ASN  17   5.886   1.400  -1.929
  134   2HD2  ASN  17          HD21      ASN  17   6.825   0.857  -3.254
  135    H    GLY  18           HN       GLY  18   4.699   4.801  -0.364
  136   1HA   GLY  18          HA2       GLY  18   4.829   7.113   0.830
  137   2HA   GLY  18          HA1       GLY  18   3.415   7.230  -0.354
  138    H    LEU  19           HN       LEU  19   2.075   6.880   1.825
  139    HA   LEU  19           HA       LEU  19   2.030   4.044   2.565
  140   1HB   LEU  19          HB2       LEU  19   0.124   6.364   3.309
  141   2HB   LEU  19          HB1       LEU  19   0.058   4.712   3.990
  142    HG   LEU  19           HG       LEU  19   2.340   6.747   4.366
  143   1HD1  LEU  19          HD11      LEU  19   0.177   7.323   5.524
  144   2HD1  LEU  19          HD12      LEU  19   1.497   6.937   6.694
  145   3HD1  LEU  19          HD13      LEU  19   0.204   5.723   6.351
  146   1HD2  LEU  19          HD21      LEU  19   3.212   5.131   6.090
  147   2HD2  LEU  19          HD22      LEU  19   3.275   4.448   4.434
  148   3HD2  LEU  19          HD23      LEU  19   1.972   3.928   5.572
  149    H    CYS  20           HN       CYS  20  -0.443   3.178   2.419
  150    HA   CYS  20           HA       CYS  20  -1.478   3.956  -0.229
  151   1HB   CYS  20          HB2       CYS  20  -2.230   1.708   1.738
  152   2HB   CYS  20          HB1       CYS  20  -3.195   2.122   0.285
  153    H    CYS  21           HN       CYS  21  -3.449   5.223  -0.246
  154    HA   CYS  21           HA       CYS  21  -3.890   6.634   2.178
  155   1HB   CYS  21          HB2       CYS  21  -5.149   6.707  -0.591
  156   2HB   CYS  21          HB1       CYS  21  -6.132   7.326   0.760
  157    H    SER  22           HN       SER  22  -5.335   3.713   0.830
  158    HA   SER  22           HA       SER  22  -7.564   3.853   2.653
  159   1HB   SER  22          HB2       SER  22  -7.962   1.494   1.577
  160   2HB   SER  22          HB1       SER  22  -8.149   2.953   0.554
  161    HG   SER  22           HG       SER  22  -6.172   0.997   0.601
  162    H    GLY  23           HN       GLY  23  -4.271   3.119   2.980
  163   1HA   GLY  23          HA2       GLY  23  -3.574   2.726   5.102
  164   2HA   GLY  23          HA1       GLY  23  -4.921   1.566   5.390
  165    H    ALA  24           HN       ALA  24  -4.838  -0.360   3.612
  166    HA   ALA  24           HA       ALA  24  -2.445  -1.596   4.616
  167   1HB   ALA  24          HB1       ALA  24  -3.362  -3.733   3.691
  168   2HB   ALA  24          HB2       ALA  24  -4.673  -2.812   2.866
  169   3HB   ALA  24          HB3       ALA  24  -4.602  -2.856   4.659
  170    H    CYS  25           HN       CYS  25  -0.652  -2.476   3.431
  171    HA   CYS  25           HA       CYS  25  -0.711  -2.044   0.567
  172   1HB   CYS  25          HB2       CYS  25   0.674  -0.131   1.521
  173   2HB   CYS  25          HB1       CYS  25   1.621  -1.322   2.460
  174    H    VAL  26           HN       VAL  26  -0.243  -3.981  -0.283
  175    HA   VAL  26           HA       VAL  26   1.673  -5.702   1.030
  176    HB   VAL  26           HB       VAL  26  -0.438  -6.811   1.561
  177   1HG1  VAL  26          HG11      VAL  26  -2.097  -7.486  -0.120
  178   2HG1  VAL  26          HG12      VAL  26  -1.223  -6.603  -1.415
  179   3HG1  VAL  26          HG13      VAL  26  -1.942  -5.700  -0.036
  180   1HG2  VAL  26          HG21      VAL  26  -0.046  -8.884  -0.253
  181   2HG2  VAL  26          HG22      VAL  26   0.879  -8.608   1.264
  182   3HG2  VAL  26          HG23      VAL  26   1.554  -8.056  -0.298
  183    H    GLY  27           HN       GLY  27   0.879  -7.067  -1.951
  184   1HA   GLY  27          HA2       GLY  27   2.717  -5.346  -3.318
  185   2HA   GLY  27          HA1       GLY  27   1.711  -6.689  -3.993
  186    H    VAL  28           HN       VAL  28  -0.384  -4.740  -2.412
  187    HA   VAL  28           HA       VAL  28  -0.967  -2.948  -4.550
  188    HB   VAL  28           HB       VAL  28  -3.387  -3.685  -4.698
  189   1HG1  VAL  28          HG11      VAL  28  -1.290  -5.689  -5.777
  190   2HG1  VAL  28          HG12      VAL  28  -1.772  -4.127  -6.544
  191   3HG1  VAL  28          HG13      VAL  28  -2.969  -5.471  -6.393
  192   1HG2  VAL  28          HG21      VAL  28  -2.309  -6.286  -3.387
  193   2HG2  VAL  28          HG22      VAL  28  -3.946  -6.053  -4.095
  194   3HG2  VAL  28          HG23      VAL  28  -3.468  -5.121  -2.639
  195    H    CYS  29           HN       CYS  29  -2.575  -1.461  -3.743
  196    HA   CYS  29           HA       CYS  29  -2.515  -1.230  -0.849
  197   1HB   CYS  29          HB2       CYS  29  -3.799   0.474  -3.086
  198   2HB   CYS  29          HB1       CYS  29  -3.969   0.867  -1.350
  199    H    ALA  30           HN       ALA  30  -4.285  -1.665   0.487
  200    HA   ALA  30           HA       ALA  30  -6.852  -2.116  -0.861
  201   1HB   ALA  30          HB1       ALA  30  -5.860  -4.429  -0.528
  202   2HB   ALA  30          HB2       ALA  30  -7.363  -4.174   0.408
  203   3HB   ALA  30          HB3       ALA  30  -5.752  -4.089   1.236
  204    H    ASP  31           HN       ASP  31  -8.111  -2.873   1.673
  205    HA   ASP  31           HA       ASP  31  -7.800  -0.386   3.155
  206   1HB   ASP  31          HB2       ASP  31 -10.453  -0.524   3.386
  207   2HB   ASP  31          HB1       ASP  31  -9.706   0.277   1.975
  208    H    LEU  32           HN       LEU  32  -9.342  -0.707   5.255
  209    HA   LEU  32           HA       LEU  32  -9.321  -3.262   6.374
  210   1HB   LEU  32          HB2       LEU  32  -7.408  -0.958   7.211
  211   2HB   LEU  32          HB1       LEU  32  -7.988  -2.145   8.418
  212    HG   LEU  32           HG       LEU  32  -6.436  -2.960   5.900
  213   1HD1  LEU  32          HD11      LEU  32  -5.294  -2.311   8.688
  214   2HD1  LEU  32          HD12      LEU  32  -5.022  -1.371   7.169
  215   3HD1  LEU  32          HD13      LEU  32  -4.379  -3.054   7.318
  216   1HD2  LEU  32          HD21      LEU  32  -7.697  -4.809   6.992
  217   2HD2  LEU  32          HD22      LEU  32  -6.920  -4.423   8.576
  218   3HD2  LEU  32          HD23      LEU  32  -5.924  -5.031   7.206
  219   1HN   NH2  33          H1        NH2  33 -11.438  -1.065   8.506
  220   2HN   NH2  33          H2        NH2  33 -10.519  -2.535   8.599
  Start of MODEL   11
    1   1H    ASP   1          HT1       ASP   1   0.410  16.570   1.466
    2   2H    ASP   1          HT2       ASP   1  -0.769  16.071   0.445
    3   3H    ASP   1          HT3       ASP   1   0.678  16.480  -0.148
    4    HA   ASP   1           HA       ASP   1   1.741  14.628   0.783
    5   1HB   ASP   1          HB2       ASP   1  -1.045  14.034   2.020
    6   2HB   ASP   1          HB1       ASP   1   0.309  12.852   1.988
    7    H    ASP   2           HN       ASP   2   0.809  12.067   0.110
    8    HA   ASP   2           HA       ASP   2  -0.945  12.065  -2.029
    9   1HB   ASP   2          HB2       ASP   2   2.090  11.502  -2.502
   10   2HB   ASP   2          HB1       ASP   2   0.776  10.906  -3.587
   11    H    CYS   3           HN       CYS   3  -0.283   9.314  -2.604
   12    HA   CYS   3           HA       CYS   3   0.676   7.978  -0.389
   13   1HB   CYS   3          HB2       CYS   3  -1.503   6.750   0.113
   14   2HB   CYS   3          HB1       CYS   3  -1.562   8.450   0.657
   15    H    ILE   4           HN       ILE   4  -0.190   5.516  -1.272
   16    HA   ILE   4           HA       ILE   4  -0.214   5.758  -4.212
   17    HB   ILE   4           HB       ILE   4   0.396   3.311  -2.526
   18   1HG1  ILE   4          HG12      ILE   4   2.007   5.363  -4.160
   19   2HG1  ILE   4          HG11      ILE   4   2.273   4.800  -2.476
   20   1HG2  ILE   4          HG21      ILE   4  -0.889   2.702  -4.604
   21   2HG2  ILE   4          HG22      ILE   4   0.813   2.224  -4.731
   22   3HG2  ILE   4          HG23      ILE   4   0.248   3.691  -5.604
   23   1HD1  ILE   4          HD11      ILE   4   2.826   3.200  -5.074
   24   2HD1  ILE   4          HD12      ILE   4   3.007   2.549  -3.397
   25   3HD1  ILE   4          HD13      ILE   4   4.026   3.919  -3.948
   26    H    LYS   5           HN       LYS   5  -1.897   4.609  -5.268
   27    HA   LYS   5           HA       LYS   5  -4.294   5.645  -4.231
   28   1HB   LYS   5          HB2       LYS   5  -3.484   5.836  -6.617
   29   2HB   LYS   5          HB1       LYS   5  -3.662   4.056  -6.801
   30   1HG   LYS   5          HG2       LYS   5  -6.147   4.284  -6.528
   31   2HG   LYS   5          HG1       LYS   5  -5.952   6.059  -6.283
   32   1HD   LYS   5          HD2       LYS   5  -4.867   6.214  -8.562
   33   2HD   LYS   5          HD1       LYS   5  -5.187   4.456  -8.808
   34   1HE   LYS   5          HE2       LYS   5  -7.662   4.879  -8.640
   35   2HE   LYS   5          HE1       LYS   5  -7.343   6.640  -8.351
   36   1HZ   LYS   5          HZ1       LYS   5  -7.835   6.184 -10.629
   37   2HZ   LYS   5          HZ2       LYS   5  -6.598   5.135 -10.763
   38   3HZ   LYS   5          HZ3       LYS   5  -6.300   6.709 -10.495
   39    HA   HYP   6           HA       HYP   6  -5.686   1.702  -2.766
   40   1HB   HYP   6          HB1       HYP   6  -7.954   1.841  -1.979
   41   2HB   HYP   6          HB2       HYP   6  -8.481   2.714  -3.474
   42   1HD   HYP   6          HD1       HYP   6  -7.177   4.979  -4.055
   43   2HD   HYP   6          HD2       HYP   6  -5.873   5.425  -2.866
   44    HOD  HYP   6           HOD      HYP   6  -6.488   2.894  -0.746
   45    HG   HYP   6           HG       HYP   6  -8.214   4.557  -1.822
   46    H    TYR   7           HN       TYR   7  -5.781  -0.296  -3.750
   47    HA   TYR   7           HA       TYR   7  -5.760  -1.775  -5.201
   48   1HB   TYR   7          HB2       TYR   7  -8.019  -0.353  -6.701
   49   2HB   TYR   7          HB1       TYR   7  -7.461  -2.046  -6.992
   50    HD1  TYR   7           HD1      TYR   7  -9.628   0.017  -5.005
   51    HD2  TYR   7           HD2      TYR   7  -7.331  -3.614  -4.865
   52    HE1  TYR   7           HE1      TYR   7 -10.937  -0.721  -3.057
   53    HE2  TYR   7           HE2      TYR   7  -8.628  -4.360  -2.906
   54    HH   TYR   7           HH       TYR   7 -11.020  -2.261  -1.307
   55    H    GLY   8           HN       GLY   8  -4.107   0.757  -5.512
   56   1HA   GLY   8          HA2       GLY   8  -3.166   0.171  -8.237
   57   2HA   GLY   8          HA1       GLY   8  -2.697   1.542  -7.136
   58    H    PHE   9           HN       PHE   9  -0.684  -0.269  -8.260
   59    HA   PHE   9           HA       PHE   9  -0.175  -2.244  -6.246
   60   1HB   PHE   9          HB2       PHE   9   2.129  -2.404  -7.596
   61   2HB   PHE   9          HB1       PHE   9   0.621  -3.198  -8.125
   62    HD1  PHE   9           HD1      PHE   9   0.037  -2.996 -10.326
   63    HD2  PHE   9           HD2      PHE   9   2.341   0.185  -8.567
   64    HE1  PHE   9           HE1      PHE   9   0.200  -1.893 -12.529
   65    HE2  PHE   9           HE2      PHE   9   2.467   1.302 -10.762
   66    HZ   PHE   9           HZ       PHE   9   1.418   0.260 -12.755
   67    H    CYS  10           HN       CYS  10   1.605  -2.192  -4.710
   68    HA   CYS  10           HA       CYS  10   2.989   0.338  -4.525
   69   1HB   CYS  10          HB2       CYS  10   2.584   0.661  -2.110
   70   2HB   CYS  10          HB1       CYS  10   1.060   0.792  -3.025
   71    H    SER  11           HN       SER  11   4.485  -0.286  -2.183
   72    HA   SER  11           HA       SER  11   5.233  -2.952  -2.150
   73   1HB   SER  11          HB2       SER  11   7.752  -2.129  -2.727
   74   2HB   SER  11          HB1       SER  11   6.679  -2.677  -4.067
   75    HG   SER  11           HG       SER  11   6.168  -0.609  -4.534
   76    H    LEU  12           HN       LEU  12   7.156  -2.753  -0.279
   77    HA   LEU  12           HA       LEU  12   7.166  -0.465   1.224
   78   1HB   LEU  12          HB2       LEU  12   5.766  -1.143   3.090
   79   2HB   LEU  12          HB1       LEU  12   4.708  -1.196   1.669
   80    HG   LEU  12           HG       LEU  12   6.042  -3.676   2.942
   81   1HD1  LEU  12          HD11      LEU  12   4.514  -2.612   4.551
   82   2HD1  LEU  12          HD12      LEU  12   3.817  -4.160   3.939
   83   3HD1  LEU  12          HD13      LEU  12   3.191  -2.590   3.322
   84   1HD2  LEU  12          HD21      LEU  12   3.802  -3.492   0.821
   85   2HD2  LEU  12          HD22      LEU  12   4.287  -4.985   1.702
   86   3HD2  LEU  12          HD23      LEU  12   5.458  -4.181   0.603
   87    HA   PRO  13           HA       PRO  13   7.488  -1.483   4.206
   88   1HB   PRO  13          HB2       PRO  13  10.347  -1.282   5.099
   89   2HB   PRO  13          HB1       PRO  13   8.957  -2.063   5.911
   90   1HG   PRO  13          HG1       PRO  13  11.082  -3.461   4.665
   91   2HG   PRO  13          HG2       PRO  13   9.439  -4.145   4.997
   92   1HD   PRO  13          HD1       PRO  13  10.579  -3.140   2.366
   93   2HD   PRO  13          HD2       PRO  13   9.311  -4.404   2.680
   94    H    ILE  14           HN       ILE  14  10.735  -0.684   3.057
   95    HA   ILE  14           HA       ILE  14  11.763   1.133   2.671
   96    HB   ILE  14           HB       ILE  14   9.698   1.727   0.580
   97   1HG1  ILE  14          HG12      ILE  14  11.796  -0.515   0.740
   98   2HG1  ILE  14          HG11      ILE  14  10.017  -0.671   0.518
   99   1HG2  ILE  14          HG21      ILE  14  12.792   2.002   0.662
  100   2HG2  ILE  14          HG22      ILE  14  11.639   3.366   0.883
  101   3HG2  ILE  14          HG23      ILE  14  11.708   2.519  -0.683
  102   1HD1  ILE  14          HD11      ILE  14  12.044   0.426  -1.527
  103   2HD1  ILE  14          HD12      ILE  14  10.251   0.501  -1.739
  104   3HD1  ILE  14          HD13      ILE  14  11.091  -1.089  -1.617
  105    H    LEU  15           HN       LEU  15   9.181   3.348   1.645
  106    HA   LEU  15           HA       LEU  15   9.287   4.632   4.269
  107   1HB   LEU  15          HB2       LEU  15   9.763   6.042   1.565
  108   2HB   LEU  15          HB1       LEU  15   9.635   6.871   3.167
  109    HG   LEU  15           HG       LEU  15  11.836   4.875   2.417
  110   1HD1  LEU  15          HD11      LEU  15  11.949   6.911   0.978
  111   2HD1  LEU  15          HD12      LEU  15  13.337   6.809   2.120
  112   3HD1  LEU  15          HD13      LEU  15  11.987   7.956   2.449
  113   1HD2  LEU  15          HD21      LEU  15  11.431   5.048   4.892
  114   2HD2  LEU  15          HD22      LEU  15  11.658   6.836   4.801
  115   3HD2  LEU  15          HD23      LEU  15  13.021   5.723   4.416
  116    H    LYS  16           HN       LYS  16   7.836   6.896   2.756
  117    HA   LYS  16           HA       LYS  16   5.271   5.848   3.256
  118   1HB   LYS  16          HB2       LYS  16   6.095   8.536   2.015
  119   2HB   LYS  16          HB1       LYS  16   4.437   8.118   2.569
  120   1HG   LYS  16          HG2       LYS  16   5.250   7.778   4.885
  121   2HG   LYS  16          HG1       LYS  16   6.911   8.259   4.411
  122   1HD   LYS  16          HD2       LYS  16   4.392  10.033   4.127
  123   2HD   LYS  16          HD1       LYS  16   5.506  10.072   5.531
  124   1HE   LYS  16          HE2       LYS  16   6.305  10.770   2.616
  125   2HE   LYS  16          HE1       LYS  16   5.982  11.946   3.951
  126   1HZ   LYS  16          HZ1       LYS  16   8.099   9.907   3.957
  127   2HZ   LYS  16          HZ2       LYS  16   7.804  10.988   5.137
  128   3HZ   LYS  16          HZ3       LYS  16   8.304  11.498   3.676
  129    H    ASN  17           HN       ASN  17   7.021   5.055   0.646
  130    HA   ASN  17           HA       ASN  17   4.969   5.276  -1.362
  131   1HB   ASN  17          HB2       ASN  17   6.270   3.526  -2.587
  132   2HB   ASN  17          HB1       ASN  17   7.300   4.927  -2.137
  133   1HD2  ASN  17          HD21      ASN  17   7.155   1.486  -2.077
  134   2HD2  ASN  17          HD22      ASN  17   8.371   1.211  -0.887
  135    H    GLY  18           HN       GLY  18   5.752   3.299   1.476
  136   1HA   GLY  18          HA2       GLY  18   3.794   1.270   0.701
  137   2HA   GLY  18          HA1       GLY  18   4.897   1.331   2.130
  138    H    LEU  19           HN       LEU  19   3.004   4.145   1.150
  139    HA   LEU  19           HA       LEU  19   1.209   3.699   3.425
  140   1HB   LEU  19          HB2       LEU  19   2.907   5.611   3.706
  141   2HB   LEU  19          HB1       LEU  19   2.099   6.443   2.346
  142    HG   LEU  19           HG       LEU  19   1.502   7.256   4.623
  143   1HD1  LEU  19          HD11      LEU  19  -0.891   7.559   4.300
  144   2HD1  LEU  19          HD12      LEU  19  -0.997   6.116   3.241
  145   3HD1  LEU  19          HD13      LEU  19  -0.084   7.566   2.688
  146   1HD2  LEU  19          HD21      LEU  19   0.015   4.590   5.080
  147   2HD2  LEU  19          HD22      LEU  19   0.066   6.012   6.181
  148   3HD2  LEU  19          HD23      LEU  19   1.570   5.070   5.859
  149    H    CYS  20           HN       CYS  20  -0.565   2.923   2.456
  150    HA   CYS  20           HA       CYS  20  -1.477   4.024  -0.087
  151   1HB   CYS  20          HB2       CYS  20  -2.543   1.795   1.757
  152   2HB   CYS  20          HB1       CYS  20  -3.321   2.291   0.220
  153    H    CYS  21           HN       CYS  21  -3.559   5.144  -0.158
  154    HA   CYS  21           HA       CYS  21  -4.085   6.628   2.204
  155   1HB   CYS  21          HB2       CYS  21  -5.555   6.362  -0.461
  156   2HB   CYS  21          HB1       CYS  21  -6.327   7.204   0.919
  157    H    SER  22           HN       SER  22  -5.479   3.626   0.893
  158    HA   SER  22           HA       SER  22  -7.462   3.508   2.984
  159   1HB   SER  22          HB2       SER  22  -7.966   1.243   1.852
  160   2HB   SER  22          HB1       SER  22  -8.191   2.702   0.835
  161    HG   SER  22           HG       SER  22  -6.267   0.685   0.750
  162    H    GLY  23           HN       GLY  23  -4.191   3.250   3.177
  163   1HA   GLY  23          HA2       GLY  23  -3.207   2.680   5.046
  164   2HA   GLY  23          HA1       GLY  23  -4.571   1.601   5.510
  165    H    ALA  24           HN       ALA  24  -4.743  -0.401   3.873
  166    HA   ALA  24           HA       ALA  24  -2.324  -1.691   4.711
  167   1HB   ALA  24          HB1       ALA  24  -3.452  -3.825   4.222
  168   2HB   ALA  24          HB2       ALA  24  -4.772  -2.954   3.359
  169   3HB   ALA  24          HB3       ALA  24  -4.562  -2.745   5.134
  170    H    CYS  25           HN       CYS  25  -0.627  -1.179   3.344
  171    HA   CYS  25           HA       CYS  25  -0.762  -1.799   0.539
  172   1HB   CYS  25          HB2       CYS  25   0.729   0.079   1.421
  173   2HB   CYS  25          HB1       CYS  25   1.624  -1.123   2.376
  174    H    VAL  26           HN       VAL  26  -0.647  -3.872  -0.139
  175    HA   VAL  26           HA       VAL  26   1.322  -5.606   1.161
  176    HB   VAL  26           HB       VAL  26  -0.901  -6.526   1.611
  177   1HG1  VAL  26          HG11      VAL  26  -1.436  -6.547  -1.434
  178   2HG1  VAL  26          HG12      VAL  26  -2.211  -5.494  -0.197
  179   3HG1  VAL  26          HG13      VAL  26  -2.447  -7.272  -0.142
  180   1HG2  VAL  26          HG21      VAL  26   0.707  -8.211  -0.420
  181   2HG2  VAL  26          HG22      VAL  26  -0.567  -8.804   0.702
  182   3HG2  VAL  26          HG23      VAL  26   0.944  -8.085   1.360
  183    H    GLY  27           HN       GLY  27   0.598  -6.964  -1.844
  184   1HA   GLY  27          HA2       GLY  27   2.573  -5.292  -3.128
  185   2HA   GLY  27          HA1       GLY  27   1.659  -6.689  -3.812
  186    H    VAL  28           HN       VAL  28  -0.486  -4.564  -2.371
  187    HA   VAL  28           HA       VAL  28  -0.866  -2.796  -4.496
  188    HB   VAL  28           HB       VAL  28  -3.317  -3.307  -4.818
  189   1HG1  VAL  28          HG11      VAL  28  -1.425  -5.513  -5.863
  190   2HG1  VAL  28          HG12      VAL  28  -1.635  -3.868  -6.570
  191   3HG1  VAL  28          HG13      VAL  28  -3.014  -5.025  -6.563
  192   1HG2  VAL  28          HG21      VAL  28  -3.673  -4.776  -2.807
  193   2HG2  VAL  28          HG22      VAL  28  -2.616  -6.043  -3.542
  194   3HG2  VAL  28          HG23      VAL  28  -4.177  -5.597  -4.321
  195    H    CYS  29           HN       CYS  29  -2.556  -1.297  -3.712
  196    HA   CYS  29           HA       CYS  29  -2.600  -1.180  -0.794
  197   1HB   CYS  29          HB2       CYS  29  -3.787   0.559  -3.053
  198   2HB   CYS  29          HB1       CYS  29  -4.025   0.929  -1.317
  199    H    ALA  30           HN       ALA  30  -4.241  -2.139   0.342
  200    HA   ALA  30           HA       ALA  30  -6.878  -2.216  -0.969
  201   1HB   ALA  30          HB1       ALA  30  -7.323  -4.451   0.092
  202   2HB   ALA  30          HB2       ALA  30  -5.637  -4.468   0.761
  203   3HB   ALA  30          HB3       ALA  30  -5.923  -4.578  -1.012
  204    H    ASP  31           HN       ASP  31  -7.791  -3.466   1.705
  205    HA   ASP  31           HA       ASP  31  -6.821  -1.808   3.721
  206   1HB   ASP  31          HB2       ASP  31  -9.249  -1.270   4.496
  207   2HB   ASP  31          HB1       ASP  31  -8.604  -0.195   3.226
  208    H    LEU  32           HN       LEU  32  -7.591  -3.139   5.721
  209    HA   LEU  32           HA       LEU  32  -9.282  -5.220   5.453
  210   1HB   LEU  32          HB2       LEU  32  -7.538  -7.056   6.125
  211   2HB   LEU  32          HB1       LEU  32  -7.702  -6.671   4.388
  212    HG   LEU  32           HG       LEU  32  -5.668  -5.215   4.494
  213   1HD1  LEU  32          HD11      LEU  32  -5.397  -4.678   6.885
  214   2HD1  LEU  32          HD12      LEU  32  -3.992  -5.655   6.353
  215   3HD1  LEU  32          HD13      LEU  32  -5.303  -6.431   7.315
  216   1HD2  LEU  32          HD21      LEU  32  -4.073  -7.103   4.396
  217   2HD2  LEU  32          HD22      LEU  32  -5.630  -7.536   3.612
  218   3HD2  LEU  32          HD23      LEU  32  -5.245  -8.171   5.259
  219   1HN   NH2  33          H1        NH2  33  -8.845  -6.191   7.928
  220   2HN   NH2  33          H2        NH2  33  -8.386  -4.949   9.049
  Start of MODEL   12
    1   1H    ASP   1          HT1       ASP   1  -3.402  15.092   1.185
    2   2H    ASP   1          HT2       ASP   1  -2.339  15.962   0.323
    3   3H    ASP   1          HT3       ASP   1  -2.495  16.226   1.937
    4    HA   ASP   1           HA       ASP   1  -0.536  15.024   1.724
    5   1HB   ASP   1          HB2       ASP   1  -2.812  12.936   2.117
    6   2HB   ASP   1          HB1       ASP   1  -1.080  12.620   2.495
    7    H    ASP   2           HN       ASP   2  -0.423  12.134   0.682
    8    HA   ASP   2           HA       ASP   2  -1.399  12.165  -1.910
    9   1HB   ASP   2          HB2       ASP   2   0.859  13.540  -2.158
   10   2HB   ASP   2          HB1       ASP   2   1.689  12.104  -1.472
   11    H    CYS   3           HN       CYS   3  -0.570   9.608  -2.496
   12    HA   CYS   3           HA       CYS   3   0.350   8.152  -0.349
   13   1HB   CYS   3          HB2       CYS   3  -1.789   6.800  -0.005
   14   2HB   CYS   3          HB1       CYS   3  -1.925   8.444   0.679
   15    H    ILE   4           HN       ILE   4  -0.198   5.756  -1.252
   16    HA   ILE   4           HA       ILE   4  -0.239   5.888  -4.174
   17    HB   ILE   4           HB       ILE   4   0.262   3.497  -2.349
   18   1HG1  ILE   4          HG12      ILE   4   2.207   5.392  -3.809
   19   2HG1  ILE   4          HG11      ILE   4   2.037   5.169  -2.036
   20   1HG2  ILE   4          HG21      ILE   4   1.062   2.448  -4.507
   21   2HG2  ILE   4          HG22      ILE   4   0.593   3.932  -5.411
   22   3HG2  ILE   4          HG23      ILE   4  -0.656   2.893  -4.618
   23   1HD1  ILE   4          HD11      ILE   4   3.084   3.038  -4.009
   24   2HD1  ILE   4          HD12      ILE   4   2.821   2.798  -2.239
   25   3HD1  ILE   4          HD13      ILE   4   4.025   4.005  -2.823
   26    H    LYS   5           HN       LYS   5  -1.957   4.625  -5.211
   27    HA   LYS   5           HA       LYS   5  -4.305   5.617  -3.935
   28   1HB   LYS   5          HB2       LYS   5  -3.603   6.184  -6.304
   29   2HB   LYS   5          HB1       LYS   5  -3.872   4.470  -6.768
   30   1HG   LYS   5          HG2       LYS   5  -6.285   4.682  -6.256
   31   2HG   LYS   5          HG1       LYS   5  -6.049   6.364  -5.670
   32   1HD   LYS   5          HD2       LYS   5  -5.498   5.363  -8.540
   33   2HD   LYS   5          HD1       LYS   5  -7.024   6.138  -8.013
   34   1HE   LYS   5          HE2       LYS   5  -4.237   7.505  -7.984
   35   2HE   LYS   5          HE1       LYS   5  -5.536   7.753  -9.213
   36   1HZ   LYS   5          HZ1       LYS   5  -5.747   8.378  -6.348
   37   2HZ   LYS   5          HZ2       LYS   5  -6.921   8.586  -7.454
   38   3HZ   LYS   5          HZ3       LYS   5  -5.543   9.443  -7.557
   39    HA   HYP   6           HA       HYP   6  -5.546   1.593  -2.794
   40   1HB   HYP   6          HB1       HYP   6  -7.806   1.595  -1.961
   41   2HB   HYP   6          HB2       HYP   6  -8.421   2.403  -3.451
   42   1HD   HYP   6          HD1       HYP   6  -7.298   4.735  -4.075
   43   2HD   HYP   6          HD2       HYP   6  -6.068   5.347  -2.888
   44    HOD  HYP   6           HOD      HYP   6  -6.518   2.799  -0.696
   45    HG   HYP   6           HG       HYP   6  -8.315   4.289  -1.845
   46    H    TYR   7           HN       TYR   7  -5.594  -0.380  -3.825
   47    HA   TYR   7           HA       TYR   7  -5.720  -1.866  -5.283
   48   1HB   TYR   7          HB2       TYR   7  -7.816  -0.372  -6.917
   49   2HB   TYR   7          HB1       TYR   7  -7.472  -2.145  -6.927
   50    HD1  TYR   7           HD1      TYR   7  -9.903  -0.047  -5.977
   51    HD2  TYR   7           HD2      TYR   7  -7.284  -2.870  -4.051
   52    HE1  TYR   7           HE1      TYR   7 -11.493  -0.252  -4.105
   53    HE2  TYR   7           HE2      TYR   7  -8.844  -3.049  -2.177
   54    HH   TYR   7           HH       TYR   7 -10.732  -2.134  -1.173
   55    H    GLY   8           HN       GLY   8  -4.142   0.828  -5.678
   56   1HA   GLY   8          HA2       GLY   8  -3.104   0.146  -8.331
   57   2HA   GLY   8          HA1       GLY   8  -2.659   1.527  -7.233
   58    H    PHE   9           HN       PHE   9  -0.554  -0.111  -8.233
   59    HA   PHE   9           HA       PHE   9  -0.050  -2.178  -6.292
   60   1HB   PHE   9          HB2       PHE   9   1.698  -1.081  -8.588
   61   2HB   PHE   9          HB1       PHE   9   2.180  -2.423  -7.487
   62    HD1  PHE   9           HD1      PHE   9   0.191  -1.555 -10.434
   63    HD2  PHE   9           HD2      PHE   9   0.809  -4.504  -7.363
   64    HE1  PHE   9           HE1      PHE   9  -1.039  -3.226 -11.785
   65    HE2  PHE   9           HE2      PHE   9  -0.405  -6.172  -8.724
   66    HZ   PHE   9           HZ       PHE   9  -1.338  -5.537 -10.932
   67    H    CYS  10           HN       CYS  10   1.648  -2.159  -4.746
   68    HA   CYS  10           HA       CYS  10   3.138   0.315  -4.416
   69   1HB   CYS  10          HB2       CYS  10   2.835   0.206  -1.896
   70   2HB   CYS  10          HB1       CYS  10   1.345   0.638  -2.770
   71    H    SER  11           HN       SER  11   4.434  -0.968  -1.958
   72    HA   SER  11           HA       SER  11   5.210  -3.522  -2.490
   73   1HB   SER  11          HB2       SER  11   7.679  -2.899  -3.124
   74   2HB   SER  11          HB1       SER  11   6.493  -2.722  -4.469
   75    HG   SER  11           HG       SER  11   6.311  -0.460  -3.346
   76    H    LEU  12           HN       LEU  12   7.600  -3.355  -0.870
   77    HA   LEU  12           HA       LEU  12   7.459  -1.261   0.910
   78   1HB   LEU  12          HB2       LEU  12   7.064  -2.727   2.944
   79   2HB   LEU  12          HB1       LEU  12   5.577  -2.452   2.007
   80    HG   LEU  12           HG       LEU  12   7.234  -4.994   1.542
   81   1HD1  LEU  12          HD11      LEU  12   6.950  -4.817   4.006
   82   2HD1  LEU  12          HD12      LEU  12   5.961  -6.154   3.318
   83   3HD1  LEU  12          HD13      LEU  12   5.168  -4.604   3.796
   84   1HD2  LEU  12          HD21      LEU  12   4.969  -5.998   1.073
   85   2HD2  LEU  12          HD22      LEU  12   5.337  -4.645  -0.041
   86   3HD2  LEU  12          HD23      LEU  12   4.207  -4.386   1.337
   87    HA   PRO  13           HA       PRO  13   8.973  -2.133   3.471
   88   1HB   PRO  13          HB2       PRO  13  11.893  -1.277   3.114
   89   2HB   PRO  13          HB1       PRO  13  11.071  -1.924   4.583
   90   1HG   PRO  13          HG1       PRO  13  12.660  -3.549   3.064
   91   2HG   PRO  13          HG2       PRO  13  11.057  -4.167   3.652
   92   1HD   PRO  13          HD1       PRO  13  11.713  -3.010   0.871
   93   2HD   PRO  13          HD2       PRO  13  10.793  -4.520   1.300
   94    H    ILE  14           HN       ILE  14  11.285  -0.191   1.427
   95    HA   ILE  14           HA       ILE  14   9.217   1.734   0.985
   96    HB   ILE  14           HB       ILE  14  11.111   3.518   1.013
   97   1HG1  ILE  14          HG12      ILE  14  12.299   1.569   3.106
   98   2HG1  ILE  14          HG11      ILE  14  12.997   1.877   1.481
   99   1HG2  ILE  14          HG21      ILE  14   9.076   3.516   2.469
  100   2HG2  ILE  14          HG22      ILE  14  10.506   4.159   3.346
  101   3HG2  ILE  14          HG23      ILE  14   9.927   2.482   3.673
  102   1HD1  ILE  14          HD11      ILE  14  12.701   3.956   3.745
  103   2HD1  ILE  14          HD12      ILE  14  13.305   4.309   2.078
  104   3HD1  ILE  14          HD13      ILE  14  14.217   3.189   3.154
  105    H    LEU  15           HN       LEU  15   9.323   2.066  -1.201
  106    HA   LEU  15           HA       LEU  15  11.495   1.674  -2.854
  107   1HB   LEU  15          HB2       LEU  15   9.370  -0.583  -2.727
  108   2HB   LEU  15          HB1       LEU  15  10.183  -0.155  -4.279
  109    HG   LEU  15           HG       LEU  15  11.562  -1.221  -1.750
  110   1HD1  LEU  15          HD11      LEU  15  10.857  -2.660  -4.372
  111   2HD1  LEU  15          HD12      LEU  15  10.122  -2.930  -2.744
  112   3HD1  LEU  15          HD13      LEU  15  11.855  -3.325  -3.023
  113   1HD2  LEU  15          HD21      LEU  15  13.551  -1.554  -3.275
  114   2HD2  LEU  15          HD22      LEU  15  13.156   0.175  -2.995
  115   3HD2  LEU  15          HD23      LEU  15  12.701  -0.613  -4.557
  116    H    LYS  16           HN       LYS  16   8.160   0.670  -3.655
  117    HA   LYS  16           HA       LYS  16   7.352   3.506  -3.833
  118   1HB   LYS  16          HB2       LYS  16   5.972   1.034  -5.078
  119   2HB   LYS  16          HB1       LYS  16   5.498   2.758  -5.251
  120   1HG   LYS  16          HG2       LYS  16   7.686   3.148  -6.504
  121   2HG   LYS  16          HG1       LYS  16   8.081   1.411  -6.278
  122   1HD   LYS  16          HD2       LYS  16   7.229   1.657  -8.522
  123   2HD   LYS  16          HD1       LYS  16   6.027   0.754  -7.547
  124   1HE   LYS  16          HE2       LYS  16   4.859   2.363  -9.010
  125   2HE   LYS  16          HE1       LYS  16   4.667   2.920  -7.304
  126   1HZ   LYS  16          HZ1       LYS  16   6.625   3.945  -9.246
  127   2HZ   LYS  16          HZ2       LYS  16   6.465   4.454  -7.711
  128   3HZ   LYS  16          HZ3       LYS  16   5.259   4.689  -8.776
  129    H    ASN  17           HN       ASN  17   6.631   3.837  -1.577
  130    HA   ASN  17           HA       ASN  17   4.497   2.275  -0.725
  131   1HB   ASN  17          HB2       ASN  17   6.571   0.862   0.129
  132   2HB   ASN  17          HB1       ASN  17   7.024   2.314   1.094
  133   1HD2  ASN  17          HD22      ASN  17   6.740   0.449   2.812
  134   2HD2  ASN  17          HD21      ASN  17   5.150   0.294   3.506
  135    H    GLY  18           HN       GLY  18   4.187   3.577   1.622
  136   1HA   GLY  18          HA2       GLY  18   5.493   5.793   2.284
  137   2HA   GLY  18          HA1       GLY  18   4.403   6.355   0.927
  138    H    LEU  19           HN       LEU  19   2.090   5.873   1.054
  139    HA   LEU  19           HA       LEU  19   1.146   4.615   3.434
  140   1HB   LEU  19          HB2       LEU  19   0.021   7.275   2.267
  141   2HB   LEU  19          HB1       LEU  19  -0.836   6.237   3.457
  142    HG   LEU  19           HG       LEU  19   1.803   7.747   3.944
  143   1HD1  LEU  19          HD11      LEU  19  -1.042   8.436   4.925
  144   2HD1  LEU  19          HD12      LEU  19  -0.153   9.280   3.597
  145   3HD1  LEU  19          HD13      LEU  19   0.478   9.341   5.285
  146   1HD2  LEU  19          HD21      LEU  19   1.422   7.241   6.369
  147   2HD2  LEU  19          HD22      LEU  19   1.651   5.744   5.407
  148   3HD2  LEU  19          HD23      LEU  19  -0.003   6.223   5.939
  149    H    CYS  20           HN       CYS  20  -0.634   3.392   2.581
  150    HA   CYS  20           HA       CYS  20  -1.433   3.934  -0.187
  151   1HB   CYS  20          HB2       CYS  20  -2.120   1.692   1.823
  152   2HB   CYS  20          HB1       CYS  20  -3.058   1.981   0.334
  153    H    CYS  21           HN       CYS  21  -3.587   4.986  -0.281
  154    HA   CYS  21           HA       CYS  21  -4.074   6.555   2.006
  155   1HB   CYS  21          HB2       CYS  21  -5.561   6.150  -0.610
  156   2HB   CYS  21          HB1       CYS  21  -6.491   6.842   0.746
  157    H    SER  22           HN       SER  22  -5.503   3.495   0.938
  158    HA   SER  22           HA       SER  22  -7.458   3.516   3.042
  159   1HB   SER  22          HB2       SER  22  -7.913   1.172   1.986
  160   2HB   SER  22          HB1       SER  22  -8.206   2.616   0.957
  161    HG   SER  22           HG       SER  22  -6.221   0.664   0.847
  162    H    GLY  23           HN       GLY  23  -4.217   3.292   3.293
  163   1HA   GLY  23          HA2       GLY  23  -3.344   2.844   5.284
  164   2HA   GLY  23          HA1       GLY  23  -4.580   1.576   5.617
  165    H    ALA  24           HN       ALA  24  -4.446  -0.330   3.900
  166    HA   ALA  24           HA       ALA  24  -1.836  -1.309   4.669
  167   1HB   ALA  24          HB1       ALA  24  -2.704  -3.568   4.022
  168   2HB   ALA  24          HB2       ALA  24  -4.205  -2.795   3.382
  169   3HB   ALA  24          HB3       ALA  24  -3.829  -2.723   5.144
  170    H    CYS  25           HN       CYS  25  -0.237  -2.134   3.328
  171    HA   CYS  25           HA       CYS  25  -0.664  -1.960   0.436
  172   1HB   CYS  25          HB2       CYS  25   1.303  -0.489   1.150
  173   2HB   CYS  25          HB1       CYS  25   1.956  -1.858   2.095
  174    H    VAL  26           HN       VAL  26  -0.719  -4.070  -0.390
  175    HA   VAL  26           HA       VAL  26   0.605  -6.165   1.144
  176    HB   VAL  26           HB       VAL  26  -1.731  -6.079   1.949
  177   1HG1  VAL  26          HG11      VAL  26  -3.649  -6.530   0.485
  178   2HG1  VAL  26          HG12      VAL  26  -2.593  -6.601  -0.972
  179   3HG1  VAL  26          HG13      VAL  26  -2.803  -5.048  -0.078
  180   1HG2  VAL  26          HG21      VAL  26  -1.131  -8.557   0.212
  181   2HG2  VAL  26          HG22      VAL  26  -2.267  -8.471   1.604
  182   3HG2  VAL  26          HG23      VAL  26  -0.501  -8.232   1.870
  183    H    GLY  27           HN       GLY  27   1.433  -4.556  -1.039
  184   1HA   GLY  27          HA2       GLY  27   2.569  -5.152  -2.939
  185   2HA   GLY  27          HA1       GLY  27   1.444  -6.545  -3.215
  186    H    VAL  28           HN       VAL  28  -1.016  -5.381  -2.921
  187    HA   VAL  28           HA       VAL  28  -1.031  -3.036  -4.704
  188    HB   VAL  28           HB       VAL  28  -3.459  -3.319  -4.946
  189   1HG1  VAL  28          HG11      VAL  28  -1.793  -5.757  -5.865
  190   2HG1  VAL  28          HG12      VAL  28  -1.875  -4.146  -6.675
  191   3HG1  VAL  28          HG13      VAL  28  -3.343  -5.180  -6.584
  192   1HG2  VAL  28          HG21      VAL  28  -4.502  -5.540  -4.332
  193   2HG2  VAL  28          HG22      VAL  28  -4.011  -4.588  -2.891
  194   3HG2  VAL  28          HG23      VAL  28  -3.014  -5.993  -3.432
  195    H    CYS  29           HN       CYS  29  -2.455  -1.307  -3.863
  196    HA   CYS  29           HA       CYS  29  -2.306  -1.130  -0.953
  197   1HB   CYS  29          HB2       CYS  29  -3.430   0.662  -3.179
  198   2HB   CYS  29          HB1       CYS  29  -3.717   1.032  -1.452
  199    H    ALA  30           HN       ALA  30  -3.974  -1.724   0.406
  200    HA   ALA  30           HA       ALA  30  -6.566  -2.314  -0.866
  201   1HB   ALA  30          HB1       ALA  30  -5.241  -4.506  -0.755
  202   2HB   ALA  30          HB2       ALA  30  -6.716  -4.522   0.257
  203   3HB   ALA  30          HB3       ALA  30  -5.096  -4.271   1.023
  204    H    ASP  31           HN       ASP  31  -7.505  -3.500   1.706
  205    HA   ASP  31           HA       ASP  31  -7.138  -1.501   3.663
  206   1HB   ASP  31          HB2       ASP  31  -9.715  -1.392   3.967
  207   2HB   ASP  31          HB1       ASP  31  -9.108  -0.400   2.608
  208    H    LEU  32           HN       LEU  32  -7.967  -2.746   5.691
  209    HA   LEU  32           HA       LEU  32  -9.055  -5.210   5.520
  210   1HB   LEU  32          HB2       LEU  32  -7.030  -6.459   6.610
  211   2HB   LEU  32          HB1       LEU  32  -7.032  -6.292   4.828
  212    HG   LEU  32           HG       LEU  32  -5.470  -4.324   5.021
  213   1HD1  LEU  32          HD11      LEU  32  -5.691  -3.626   7.384
  214   2HD1  LEU  32          HD12      LEU  32  -4.010  -4.158   7.071
  215   3HD1  LEU  32          HD13      LEU  32  -5.141  -5.248   7.951
  216   1HD2  LEU  32          HD21      LEU  32  -3.448  -5.763   5.325
  217   2HD2  LEU  32          HD22      LEU  32  -4.710  -6.528   4.299
  218   3HD2  LEU  32          HD23      LEU  32  -4.491  -7.068   6.008
  219   1HN   NH2  33          H1        NH2  33  -8.720  -4.382   9.131
  220   2HN   NH2  33          H2        NH2  33  -8.654  -5.809   8.151
  Start of MODEL   13
    1   1H    ASP   1          HT1       ASP   1  -0.293   8.872  -4.758
    2   2H    ASP   1          HT2       ASP   1   0.938   9.368  -5.700
    3   3H    ASP   1          HT3       ASP   1  -0.537   9.094  -6.367
    4    HA   ASP   1           HA       ASP   1  -0.152  11.434  -6.157
    5   1HB   ASP   1          HB2       ASP   1  -2.065  10.436  -3.900
    6   2HB   ASP   1          HB1       ASP   1  -2.085  12.092  -4.634
    7    H    ASP   2           HN       ASP   2  -0.761  12.141  -3.013
    8    HA   ASP   2           HA       ASP   2   1.932  12.021  -2.051
    9   1HB   ASP   2          HB2       ASP   2  -0.757  12.368  -0.543
   10   2HB   ASP   2          HB1       ASP   2   0.868  12.539   0.213
   11    H    CYS   3           HN       CYS   3  -1.127  10.180  -1.531
   12    HA   CYS   3           HA       CYS   3   0.421   8.003  -0.346
   13   1HB   CYS   3          HB2       CYS   3  -1.843   6.999   0.132
   14   2HB   CYS   3          HB1       CYS   3  -1.474   8.509   0.999
   15    H    ILE   4           HN       ILE   4  -0.327   5.780  -1.135
   16    HA   ILE   4           HA       ILE   4  -0.321   5.817  -4.058
   17    HB   ILE   4           HB       ILE   4   0.072   3.436  -2.213
   18   1HG1  ILE   4          HG12      ILE   4   2.204   5.247  -3.522
   19   2HG1  ILE   4          HG11      ILE   4   1.824   5.203  -1.774
   20   1HG2  ILE   4          HG21      ILE   4   1.080   2.449  -4.312
   21   2HG2  ILE   4          HG22      ILE   4   0.700   3.949  -5.215
   22   3HG2  ILE   4          HG23      ILE   4  -0.625   2.893  -4.573
   23   1HD1  ILE   4          HD11      ILE   4   3.009   2.890  -3.428
   24   2HD1  ILE   4          HD12      ILE   4   2.477   2.765  -1.702
   25   3HD1  ILE   4          HD13      ILE   4   3.822   3.871  -2.160
   26    H    LYS   5           HN       LYS   5  -1.944   4.602  -5.195
   27    HA   LYS   5           HA       LYS   5  -4.416   5.518  -4.333
   28   1HB   LYS   5          HB2       LYS   5  -3.531   5.499  -6.710
   29   2HB   LYS   5          HB1       LYS   5  -3.589   3.701  -6.687
   30   1HG   LYS   5          HG2       LYS   5  -6.105   3.832  -6.479
   31   2HG   LYS   5          HG1       LYS   5  -6.000   5.621  -6.624
   32   1HD   LYS   5          HD2       LYS   5  -4.914   5.357  -8.879
   33   2HD   LYS   5          HD1       LYS   5  -4.943   3.575  -8.684
   34   1HE   LYS   5          HE2       LYS   5  -7.468   5.366  -8.830
   35   2HE   LYS   5          HE1       LYS   5  -6.783   4.375 -10.184
   36   1HZ   LYS   5          HZ1       LYS   5  -8.523   3.244  -9.062
   37   2HZ   LYS   5          HZ2       LYS   5  -7.773   3.337  -7.617
   38   3HZ   LYS   5          HZ3       LYS   5  -7.131   2.442  -8.811
   39    HA   HYP   6           HA       HYP   6  -5.885   1.629  -2.657
   40   1HB   HYP   6          HB1       HYP   6  -8.206   1.834  -2.052
   41   2HB   HYP   6          HB2       HYP   6  -8.629   2.549  -3.652
   42   1HD   HYP   6          HD1       HYP   6  -7.224   4.852  -4.277
   43   2HD   HYP   6          HD2       HYP   6  -6.090   5.371  -2.962
   44    HOD  HYP   6           HOD      HYP   6  -7.021   3.015  -0.747
   45    HG   HYP   6           HG       HYP   6  -8.572   4.554  -2.211
   46    H    TYR   7           HN       TYR   7  -5.771  -0.376  -3.721
   47    HA   TYR   7           HA       TYR   7  -5.530  -1.757  -5.268
   48   1HB   TYR   7          HB2       TYR   7  -7.932  -0.473  -6.681
   49   2HB   TYR   7          HB1       TYR   7  -7.196  -2.063  -7.122
   50    HD1  TYR   7           HD1      TYR   7  -6.959  -3.828  -5.302
   51    HD2  TYR   7           HD2      TYR   7  -9.474  -0.377  -4.811
   52    HE1  TYR   7           HE1      TYR   7  -8.065  -4.913  -3.392
   53    HE2  TYR   7           HE2      TYR   7 -10.579  -1.449  -2.888
   54    HH   TYR   7           HH       TYR   7 -10.612  -3.284  -1.491
   55    H    GLY   8           HN       GLY   8  -4.069   0.820  -5.373
   56   1HA   GLY   8          HA2       GLY   8  -3.025   0.470  -8.097
   57   2HA   GLY   8          HA1       GLY   8  -2.503   1.634  -6.791
   58    H    PHE   9           HN       PHE   9  -0.510   0.016  -7.980
   59    HA   PHE   9           HA       PHE   9  -0.062  -2.187  -6.128
   60   1HB   PHE   9          HB2       PHE   9   1.484  -1.149  -8.587
   61   2HB   PHE   9          HB1       PHE   9   2.204  -2.314  -7.424
   62    HD1  PHE   9           HD1      PHE   9   1.698  -4.588  -7.479
   63    HD2  PHE   9           HD2      PHE   9  -0.718  -1.868  -9.781
   64    HE1  PHE   9           HE1      PHE   9   0.672  -6.497  -8.665
   65    HE2  PHE   9           HE2      PHE   9  -1.781  -3.781 -10.918
   66    HZ   PHE   9           HZ       PHE   9  -1.081  -6.100 -10.374
   67    H    CYS  10           HN       CYS  10   1.837  -2.142  -4.700
   68    HA   CYS  10           HA       CYS  10   3.075   0.461  -4.339
   69   1HB   CYS  10          HB2       CYS  10   2.617   0.358  -1.839
   70   2HB   CYS  10          HB1       CYS  10   1.162   0.689  -2.817
   71    H    SER  11           HN       SER  11   5.219   0.120  -3.261
   72    HA   SER  11           HA       SER  11   6.065  -2.311  -2.352
   73   1HB   SER  11          HB2       SER  11   7.750  -2.648  -4.416
   74   2HB   SER  11          HB1       SER  11   6.087  -3.304  -4.573
   75    HG   SER  11           HG       SER  11   7.228  -1.026  -5.821
   76    H    LEU  12           HN       LEU  12   8.878  -1.644  -2.908
   77    HA   LEU  12           HA       LEU  12   8.917   1.145  -3.356
   78   1HB   LEU  12          HB2       LEU  12  10.990   1.407  -1.891
   79   2HB   LEU  12          HB1       LEU  12   9.443   1.349  -1.019
   80    HG   LEU  12           HG       LEU  12   9.997  -1.239  -0.696
   81   1HD1  LEU  12          HD11      LEU  12  12.123  -1.323  -2.032
   82   2HD1  LEU  12          HD12      LEU  12  12.423  -1.661  -0.297
   83   3HD1  LEU  12          HD13      LEU  12  12.841  -0.047  -0.985
   84   1HD2  LEU  12          HD21      LEU  12   9.635   0.412   1.093
   85   2HD2  LEU  12          HD22      LEU  12  11.321   1.028   0.915
   86   3HD2  LEU  12          HD23      LEU  12  11.030  -0.655   1.499
   87    HA   PRO  13           HA       PRO  13  10.282   2.206  -4.899
   88   1HB   PRO  13          HB2       PRO  13  10.832   1.093  -7.704
   89   2HB   PRO  13          HB1       PRO  13  11.428   2.649  -7.000
   90   1HG   PRO  13          HG1       PRO  13  13.130   0.532  -7.251
   91   2HG   PRO  13          HG2       PRO  13  13.116   1.460  -5.693
   92   1HD   PRO  13          HD1       PRO  13  11.612  -1.171  -6.306
   93   2HD   PRO  13          HD2       PRO  13  12.683  -0.774  -4.882
   94    H    ILE  14           HN       ILE  14   8.677   3.233  -6.535
   95    HA   ILE  14           HA       ILE  14   6.857   1.750  -7.882
   96    HB   ILE  14           HB       ILE  14   5.811   1.072  -5.806
   97   1HG1  ILE  14          HG12      ILE  14   3.648   2.249  -5.699
   98   2HG1  ILE  14          HG11      ILE  14   4.239   3.545  -6.758
   99   1HG2  ILE  14          HG21      ILE  14   6.158   3.971  -4.843
  100   2HG2  ILE  14          HG22      ILE  14   7.051   2.518  -4.265
  101   3HG2  ILE  14          HG23      ILE  14   5.288   2.657  -3.970
  102   1HD1  ILE  14          HD11      ILE  14   4.508   1.857  -8.637
  103   2HD1  ILE  14          HD12      ILE  14   2.836   1.812  -7.960
  104   3HD1  ILE  14          HD13      ILE  14   4.024   0.542  -7.496
  105    H    LEU  15           HN       LEU  15   5.292   3.914  -8.427
  106    HA   LEU  15           HA       LEU  15   7.281   5.530  -9.587
  107   1HB   LEU  15          HB2       LEU  15   4.240   5.894  -9.553
  108   2HB   LEU  15          HB1       LEU  15   5.350   6.914 -10.529
  109    HG   LEU  15           HG       LEU  15   5.165   3.858 -10.823
  110   1HD1  LEU  15          HD11      LEU  15   2.960   4.826 -11.382
  111   2HD1  LEU  15          HD12      LEU  15   3.808   4.275 -12.876
  112   3HD1  LEU  15          HD13      LEU  15   3.740   6.032 -12.483
  113   1HD2  LEU  15          HD21      LEU  15   6.259   4.250 -13.037
  114   2HD2  LEU  15          HD22      LEU  15   7.308   4.779 -11.680
  115   3HD2  LEU  15          HD23      LEU  15   6.417   6.004 -12.657
  116    H    LYS  16           HN       LYS  16   5.148   6.083  -6.734
  117    HA   LYS  16           HA       LYS  16   7.056   8.001  -5.934
  118   1HB   LYS  16          HB2       LYS  16   5.381   9.649  -6.795
  119   2HB   LYS  16          HB1       LYS  16   4.036   8.685  -6.111
  120   1HG   LYS  16          HG2       LYS  16   4.438  10.721  -4.785
  121   2HG   LYS  16          HG1       LYS  16   4.738   9.259  -3.796
  122   1HD   LYS  16          HD2       LYS  16   7.218   9.543  -4.144
  123   2HD   LYS  16          HD1       LYS  16   6.899  11.001  -5.147
  124   1HE   LYS  16          HE2       LYS  16   5.913  12.166  -3.155
  125   2HE   LYS  16          HE1       LYS  16   6.114  10.666  -2.162
  126   1HZ   LYS  16          HZ1       LYS  16   7.891  12.175  -1.811
  127   2HZ   LYS  16          HZ2       LYS  16   8.290  12.219  -3.387
  128   3HZ   LYS  16          HZ3       LYS  16   8.474  10.845  -2.541
  129    H    ASN  17           HN       ASN  17   7.167   7.569  -3.642
  130    HA   ASN  17           HA       ASN  17   5.717   5.148  -2.876
  131   1HB   ASN  17          HB2       ASN  17   8.272   4.982  -2.976
  132   2HB   ASN  17          HB1       ASN  17   8.362   6.336  -1.788
  133   1HD2  ASN  17          HD22      ASN  17   6.761   3.032  -2.169
  134   2HD2  ASN  17          HD21      ASN  17   6.936   2.609  -0.508
  135    H    GLY  18           HN       GLY  18   4.918   5.128  -0.533
  136   1HA   GLY  18          HA2       GLY  18   4.888   7.177   1.144
  137   2HA   GLY  18          HA1       GLY  18   3.510   7.431  -0.052
  138    H    LEU  19           HN       LEU  19   2.243   6.603   2.045
  139    HA   LEU  19           HA       LEU  19   2.292   3.692   2.215
  140   1HB   LEU  19          HB2       LEU  19   2.336   5.104   4.341
  141   2HB   LEU  19          HB1       LEU  19   0.765   5.820   3.857
  142    HG   LEU  19           HG       LEU  19  -0.371   3.665   4.168
  143   1HD1  LEU  19          HD11      LEU  19   0.772   1.652   5.093
  144   2HD1  LEU  19          HD12      LEU  19   2.376   2.463   4.931
  145   3HD1  LEU  19          HD13      LEU  19   1.415   2.046   3.463
  146   1HD2  LEU  19          HD21      LEU  19   1.444   4.293   6.573
  147   2HD2  LEU  19          HD22      LEU  19  -0.145   3.439   6.608
  148   3HD2  LEU  19          HD23      LEU  19  -0.065   5.174   6.128
  149    H    CYS  20           HN       CYS  20  -0.250   2.929   2.277
  150    HA   CYS  20           HA       CYS  20  -1.311   3.888  -0.251
  151   1HB   CYS  20          HB2       CYS  20  -2.195   1.675   1.680
  152   2HB   CYS  20          HB1       CYS  20  -3.083   2.101   0.194
  153    H    CYS  21           HN       CYS  21  -3.443   4.877  -0.440
  154    HA   CYS  21           HA       CYS  21  -3.887   6.663   1.655
  155   1HB   CYS  21          HB2       CYS  21  -6.034   5.985  -0.416
  156   2HB   CYS  21          HB1       CYS  21  -5.848   7.498   0.501
  157    H    SER  22           HN       SER  22  -5.627   3.616   0.806
  158    HA   SER  22           HA       SER  22  -7.277   3.846   3.151
  159   1HB   SER  22          HB2       SER  22  -8.120   1.565   2.229
  160   2HB   SER  22          HB1       SER  22  -8.403   3.033   1.235
  161    HG   SER  22           HG       SER  22  -6.582   0.918   0.874
  162    H    GLY  23           HN       GLY  23  -4.105   3.459   3.160
  163   1HA   GLY  23          HA2       GLY  23  -3.048   2.924   4.989
  164   2HA   GLY  23          HA1       GLY  23  -4.389   1.841   5.532
  165    H    ALA  24           HN       ALA  24  -4.606  -0.179   3.887
  166    HA   ALA  24           HA       ALA  24  -2.103  -1.421   4.596
  167   1HB   ALA  24          HB1       ALA  24  -4.278  -2.614   5.000
  168   2HB   ALA  24          HB2       ALA  24  -3.138  -3.578   4.001
  169   3HB   ALA  24          HB3       ALA  24  -4.521  -2.722   3.221
  170    H    CYS  25           HN       CYS  25  -0.558  -2.453   3.204
  171    HA   CYS  25           HA       CYS  25  -0.887  -2.083   0.346
  172   1HB   CYS  25          HB2       CYS  25   0.918  -0.421   1.113
  173   2HB   CYS  25          HB1       CYS  25   1.651  -1.704   2.112
  174    H    VAL  26           HN       VAL  26  -0.625  -4.211  -0.480
  175    HA   VAL  26           HA       VAL  26   1.084  -6.011   1.003
  176    HB   VAL  26           HB       VAL  26  -1.084  -6.412   2.051
  177   1HG1  VAL  26          HG11      VAL  26  -2.597  -5.534   0.279
  178   2HG1  VAL  26          HG12      VAL  26  -3.056  -7.201   0.765
  179   3HG1  VAL  26          HG13      VAL  26  -2.197  -6.929  -0.793
  180   1HG2  VAL  26          HG21      VAL  26   0.481  -8.329   1.669
  181   2HG2  VAL  26          HG22      VAL  26  -0.386  -8.726   0.135
  182   3HG2  VAL  26          HG23      VAL  26  -1.250  -8.823   1.711
  183    H    GLY  27           HN       GLY  27   1.707  -4.494  -1.185
  184   1HA   GLY  27          HA2       GLY  27   2.709  -4.990  -3.142
  185   2HA   GLY  27          HA1       GLY  27   1.682  -6.464  -3.353
  186    H    VAL  28           HN       VAL  28  -0.847  -5.460  -2.900
  187    HA   VAL  28           HA       VAL  28  -1.148  -3.151  -4.689
  188    HB   VAL  28           HB       VAL  28  -3.560  -3.748  -4.853
  189   1HG1  VAL  28          HG11      VAL  28  -1.938  -4.293  -6.664
  190   2HG1  VAL  28          HG12      VAL  28  -3.203  -5.573  -6.541
  191   3HG1  VAL  28          HG13      VAL  28  -1.548  -5.865  -5.881
  192   1HG2  VAL  28          HG21      VAL  28  -4.299  -6.052  -4.236
  193   2HG2  VAL  28          HG22      VAL  28  -3.731  -5.183  -2.771
  194   3HG2  VAL  28          HG23      VAL  28  -2.681  -6.433  -3.549
  195    H    CYS  29           HN       CYS  29  -2.585  -1.513  -3.787
  196    HA   CYS  29           HA       CYS  29  -2.504  -1.449  -0.876
  197   1HB   CYS  29          HB2       CYS  29  -3.820   0.398  -2.946
  198   2HB   CYS  29          HB1       CYS  29  -3.836   0.706  -1.180
  199    H    ALA  30           HN       ALA  30  -4.342  -1.698   0.476
  200    HA   ALA  30           HA       ALA  30  -6.929  -1.995  -0.799
  201   1HB   ALA  30          HB1       ALA  30  -6.068  -4.393  -0.797
  202   2HB   ALA  30          HB2       ALA  30  -7.474  -4.171   0.292
  203   3HB   ALA  30          HB3       ALA  30  -5.795  -4.267   0.977
  204    H    ASP  31           HN       ASP  31  -7.516  -3.305   2.097
  205    HA   ASP  31           HA       ASP  31  -6.739  -1.203   3.806
  206   1HB   ASP  31          HB2       ASP  31  -9.078  -0.924   4.770
  207   2HB   ASP  31          HB1       ASP  31  -8.919  -0.176   3.153
  208    H    LEU  32           HN       LEU  32  -7.656  -2.266   6.071
  209    HA   LEU  32           HA       LEU  32  -8.278  -4.979   5.863
  210   1HB   LEU  32          HB2       LEU  32  -5.856  -3.923   7.508
  211   2HB   LEU  32          HB1       LEU  32  -6.642  -5.509   7.798
  212    HG   LEU  32           HG       LEU  32  -5.157  -4.704   5.226
  213   1HD1  LEU  32          HD11      LEU  32  -3.594  -4.831   7.137
  214   2HD1  LEU  32          HD12      LEU  32  -3.334  -6.232   6.036
  215   3HD1  LEU  32          HD13      LEU  32  -4.226  -6.458   7.584
  216   1HD2  LEU  32          HD21      LEU  32  -6.853  -6.427   4.727
  217   2HD2  LEU  32          HD22      LEU  32  -6.244  -7.460   6.080
  218   3HD2  LEU  32          HD23      LEU  32  -5.205  -7.125   4.643
  219   1HN   NH2  33          H1        NH2  33  -9.760  -3.724   8.983
  220   2HN   NH2  33          H2        NH2  33  -9.174  -5.199   8.299
  Start of MODEL   14
    1   1H    ASP   1          HT1       ASP   1  -1.569  10.489  -5.190
    2   2H    ASP   1          HT2       ASP   1  -0.593   9.311  -4.659
    3   3H    ASP   1          HT3       ASP   1  -0.589   9.721  -6.253
    4    HA   ASP   1           HA       ASP   1   1.340  10.610  -5.064
    5   1HB   ASP   1          HB2       ASP   1  -0.757  12.721  -5.976
    6   2HB   ASP   1          HB1       ASP   1   0.950  13.134  -5.578
    7    H    ASP   2           HN       ASP   2   2.019  11.798  -3.115
    8    HA   ASP   2           HA       ASP   2   1.943  12.208  -0.996
    9   1HB   ASP   2          HB2       ASP   2  -1.134  12.321  -0.993
   10   2HB   ASP   2          HB1       ASP   2  -0.051  12.735   0.376
   11    H    CYS   3           HN       CYS   3  -0.944  10.173  -1.661
   12    HA   CYS   3           HA       CYS   3   0.453   7.958  -0.313
   13   1HB   CYS   3          HB2       CYS   3  -1.824   6.954   0.110
   14   2HB   CYS   3          HB1       CYS   3  -1.431   8.389   1.083
   15    H    ILE   4           HN       ILE   4  -0.317   5.846  -1.177
   16    HA   ILE   4           HA       ILE   4  -0.226   5.929  -4.082
   17    HB   ILE   4           HB       ILE   4   0.136   3.570  -2.168
   18   1HG1  ILE   4          HG12      ILE   4   2.308   5.320  -3.492
   19   2HG1  ILE   4          HG11      ILE   4   1.873   5.356  -1.753
   20   1HG2  ILE   4          HG21      ILE   4  -0.485   2.878  -4.489
   21   2HG2  ILE   4          HG22      ILE   4   1.239   2.534  -4.221
   22   3HG2  ILE   4          HG23      ILE   4   0.775   3.970  -5.185
   23   1HD1  ILE   4          HD11      ILE   4   3.115   2.959  -3.236
   24   2HD1  ILE   4          HD12      ILE   4   2.515   2.930  -1.528
   25   3HD1  ILE   4          HD13      ILE   4   3.871   4.019  -1.996
   26    H    LYS   5           HN       LYS   5  -1.847   4.533  -5.231
   27    HA   LYS   5           HA       LYS   5  -4.334   5.505  -4.322
   28   1HB   LYS   5          HB2       LYS   5  -3.493   5.562  -6.738
   29   2HB   LYS   5          HB1       LYS   5  -3.630   3.774  -6.776
   30   1HG   LYS   5          HG2       LYS   5  -6.171   4.089  -6.325
   31   2HG   LYS   5          HG1       LYS   5  -5.882   5.853  -6.491
   32   1HD   LYS   5          HD2       LYS   5  -6.741   5.072  -8.591
   33   2HD   LYS   5          HD1       LYS   5  -5.002   5.408  -8.853
   34   1HE   LYS   5          HE2       LYS   5  -5.599   3.320 -10.008
   35   2HE   LYS   5          HE1       LYS   5  -4.564   2.870  -8.596
   36   1HZ   LYS   5          HZ1       LYS   5  -7.503   2.763  -8.680
   37   2HZ   LYS   5          HZ2       LYS   5  -6.577   2.313  -7.422
   38   3HZ   LYS   5          HZ3       LYS   5  -6.501   1.489  -8.824
   39    HA   HYP   6           HA       HYP   6  -5.672   1.518  -2.768
   40   1HB   HYP   6          HB1       HYP   6  -7.948   1.684  -1.986
   41   2HB   HYP   6          HB2       HYP   6  -8.472   2.524  -3.494
   42   1HD   HYP   6          HD1       HYP   6  -7.162   4.789  -4.106
   43   2HD   HYP   6          HD2       HYP   6  -5.910   5.287  -2.887
   44    HOD  HYP   6           HOD      HYP   6  -6.613   2.813  -0.681
   45    HG   HYP   6           HG       HYP   6  -8.271   4.405  -1.895
   46    H    TYR   7           HN       TYR   7  -5.747  -0.428  -3.862
   47    HA   TYR   7           HA       TYR   7  -5.787  -1.835  -5.423
   48   1HB   TYR   7          HB2       TYR   7  -7.960  -0.249  -6.898
   49   2HB   TYR   7          HB1       TYR   7  -7.471  -1.954  -7.230
   50    HD1  TYR   7           HD1      TYR   7  -7.585  -3.622  -5.241
   51    HD2  TYR   7           HD2      TYR   7  -9.608   0.168  -5.254
   52    HE1  TYR   7           HE1      TYR   7  -9.059  -4.410  -3.422
   53    HE2  TYR   7           HE2      TYR   7 -11.098  -0.616  -3.445
   54    HH   TYR   7           HH       TYR   7 -10.694  -3.835  -1.940
   55    H    GLY   8           HN       GLY   8  -4.051   0.613  -5.521
   56   1HA   GLY   8          HA2       GLY   8  -3.092   0.199  -8.273
   57   2HA   GLY   8          HA1       GLY   8  -2.660   1.544  -7.112
   58    H    PHE   9           HN       PHE   9  -0.576  -0.091  -8.172
   59    HA   PHE   9           HA       PHE   9  -0.046  -2.266  -6.397
   60   1HB   PHE   9          HB2       PHE   9   1.892  -0.733  -8.267
   61   2HB   PHE   9          HB1       PHE   9   2.240  -2.291  -7.434
   62    HD1  PHE   9           HD1      PHE   9   0.442  -4.212  -7.865
   63    HD2  PHE   9           HD2      PHE   9   1.226  -0.907 -10.509
   64    HE1  PHE   9           HE1      PHE   9  -0.437  -5.520  -9.764
   65    HE2  PHE   9           HE2      PHE   9   0.387  -2.240 -12.415
   66    HZ   PHE   9           HZ       PHE   9  -0.457  -4.545 -12.044
   67    H    CYS  10           HN       CYS  10   1.794  -2.255  -4.748
   68    HA   CYS  10           HA       CYS  10   3.115   0.204  -4.410
   69   1HB   CYS  10          HB2       CYS  10   2.698   0.478  -1.973
   70   2HB   CYS  10          HB1       CYS  10   1.189   0.742  -2.896
   71    H    SER  11           HN       SER  11   4.821  -0.414  -2.512
   72    HA   SER  11           HA       SER  11   5.161  -3.012  -1.836
   73   1HB   SER  11          HB2       SER  11   7.442  -3.305  -3.053
   74   2HB   SER  11          HB1       SER  11   6.022  -3.462  -4.145
   75    HG   SER  11           HG       SER  11   7.979  -1.456  -4.025
   76    H    LEU  12           HN       LEU  12   7.693  -2.647  -0.801
   77    HA   LEU  12           HA       LEU  12   8.394   0.078  -0.811
   78   1HB   LEU  12          HB2       LEU  12   9.393  -0.283   1.559
   79   2HB   LEU  12          HB1       LEU  12   7.693   0.255   1.489
   80    HG   LEU  12           HG       LEU  12   8.292  -2.732   1.743
   81   1HD1  LEU  12          HD11      LEU  12   8.364  -2.522   4.221
   82   2HD1  LEU  12          HD12      LEU  12   8.363  -0.722   4.076
   83   3HD1  LEU  12          HD13      LEU  12   9.754  -1.684   3.444
   84   1HD2  LEU  12          HD21      LEU  12   6.165  -2.734   3.033
   85   2HD2  LEU  12          HD22      LEU  12   5.887  -1.968   1.429
   86   3HD2  LEU  12          HD23      LEU  12   6.050  -0.939   2.896
   87    HA   PRO  13           HA       PRO  13  10.616   0.770  -1.073
   88   1HB   PRO  13          HB2       PRO  13  12.465  -0.242  -3.280
   89   2HB   PRO  13          HB1       PRO  13  12.850   0.927  -1.960
   90   1HG   PRO  13          HG1       PRO  13  13.824  -1.656  -1.952
   91   2HG   PRO  13          HG2       PRO  13  13.265  -0.876  -0.411
   92   1HD   PRO  13          HD1       PRO  13  11.667  -2.778  -2.242
   93   2HD   PRO  13          HD2       PRO  13  11.878  -2.863  -0.434
   94    H    ILE  14           HN       ILE  14  10.270   2.246  -3.041
   95    HA   ILE  14           HA       ILE  14   9.802   1.222  -5.496
   96    HB   ILE  14           HB       ILE  14   7.560   0.620  -4.777
   97   1HG1  ILE  14          HG12      ILE  14   7.260   3.293  -6.242
   98   2HG1  ILE  14          HG11      ILE  14   7.874   1.769  -6.993
   99   1HG2  ILE  14          HG21      ILE  14   7.457   3.398  -3.467
  100   2HG2  ILE  14          HG22      ILE  14   7.414   1.769  -2.682
  101   3HG2  ILE  14          HG23      ILE  14   6.026   2.321  -3.675
  102   1HD1  ILE  14          HD11      ILE  14   5.759   0.582  -6.287
  103   2HD1  ILE  14          HD12      ILE  14   5.472   1.924  -7.451
  104   3HD1  ILE  14          HD13      ILE  14   5.092   2.150  -5.708
  105    H    LEU  15           HN       LEU  15   9.630   3.492  -6.704
  106    HA   LEU  15           HA       LEU  15  11.848   4.796  -5.547
  107   1HB   LEU  15          HB2       LEU  15  10.260   5.333  -8.126
  108   2HB   LEU  15          HB1       LEU  15  11.645   6.343  -7.609
  109    HG   LEU  15           HG       LEU  15  13.162   4.396  -7.621
  110   1HD1  LEU  15          HD11      LEU  15  11.691   2.448  -7.338
  111   2HD1  LEU  15          HD12      LEU  15  12.567   2.316  -8.894
  112   3HD1  LEU  15          HD13      LEU  15  10.833   2.807  -8.894
  113   1HD2  LEU  15          HD21      LEU  15  11.759   4.897 -10.322
  114   2HD2  LEU  15          HD22      LEU  15  13.444   4.314 -10.066
  115   3HD2  LEU  15          HD23      LEU  15  12.982   5.973  -9.551
  116    H    LYS  16           HN       LYS  16   8.388   5.614  -5.792
  117    HA   LYS  16           HA       LYS  16   8.952   7.869  -4.063
  118   1HB   LYS  16          HB2       LYS  16   8.105   8.777  -6.348
  119   2HB   LYS  16          HB1       LYS  16   6.670   7.715  -6.163
  120   1HG   LYS  16          HG2       LYS  16   6.047   9.960  -5.519
  121   2HG   LYS  16          HG1       LYS  16   6.097   8.984  -4.010
  122   1HD   LYS  16          HD2       LYS  16   8.280   9.955  -3.394
  123   2HD   LYS  16          HD1       LYS  16   8.404  10.778  -4.988
  124   1HE   LYS  16          HE2       LYS  16   6.380  12.174  -4.422
  125   2HE   LYS  16          HE1       LYS  16   6.291  11.373  -2.799
  126   1HZ   LYS  16          HZ1       LYS  16   7.451  13.490  -2.822
  127   2HZ   LYS  16          HZ2       LYS  16   8.611  12.890  -3.790
  128   3HZ   LYS  16          HZ3       LYS  16   8.406  12.283  -2.297
  129    H    ASN  17           HN       ASN  17   7.646   7.449  -2.189
  130    HA   ASN  17           HA       ASN  17   6.068   5.018  -2.238
  131   1HB   ASN  17          HB2       ASN  17   8.478   4.458  -1.450
  132   2HB   ASN  17          HB1       ASN  17   8.314   5.757  -0.222
  133   1HD2  ASN  17          HD22      ASN  17   6.532   2.740  -1.363
  134   2HD2  ASN  17          HD21      ASN  17   6.011   2.284   0.221
  135    H    GLY  18           HN       GLY  18   4.805   5.180   0.137
  136   1HA   GLY  18          HA2       GLY  18   4.619   7.473   1.479
  137   2HA   GLY  18          HA1       GLY  18   3.425   7.525   0.073
  138    H    LEU  19           HN       LEU  19   1.919   7.031   2.198
  139    HA   LEU  19           HA       LEU  19   1.909   4.183   2.805
  140   1HB   LEU  19          HB2       LEU  19  -0.161   6.397   3.394
  141   2HB   LEU  19          HB1       LEU  19  -0.221   4.736   4.059
  142    HG   LEU  19           HG       LEU  19   1.995   6.789   4.652
  143   1HD1  LEU  19          HD11      LEU  19  -0.462   5.979   6.332
  144   2HD1  LEU  19          HD12      LEU  19  -0.194   7.560   5.510
  145   3HD1  LEU  19          HD13      LEU  19   0.874   7.065   6.870
  146   1HD2  LEU  19          HD21      LEU  19   2.795   4.441   4.942
  147   2HD2  LEU  19          HD22      LEU  19   1.373   4.072   5.990
  148   3HD2  LEU  19          HD23      LEU  19   2.615   5.260   6.531
  149    H    CYS  20           HN       CYS  20  -0.542   3.278   2.511
  150    HA   CYS  20           HA       CYS  20  -1.420   3.892  -0.230
  151   1HB   CYS  20          HB2       CYS  20  -2.234   1.771   1.857
  152   2HB   CYS  20          HB1       CYS  20  -3.166   2.061   0.359
  153    H    CYS  21           HN       CYS  21  -3.583   4.910  -0.399
  154    HA   CYS  21           HA       CYS  21  -3.986   6.697   1.722
  155   1HB   CYS  21          HB2       CYS  21  -6.126   6.062  -0.363
  156   2HB   CYS  21          HB1       CYS  21  -5.931   7.564   0.583
  157    H    SER  22           HN       SER  22  -5.594   3.639   0.857
  158    HA   SER  22           HA       SER  22  -7.360   3.721   3.119
  159   1HB   SER  22          HB2       SER  22  -7.998   1.420   2.133
  160   2HB   SER  22          HB1       SER  22  -8.271   2.835   1.073
  161    HG   SER  22           HG       SER  22  -6.403   0.760   0.904
  162    H    GLY  23           HN       GLY  23  -4.163   3.429   3.218
  163   1HA   GLY  23          HA2       GLY  23  -3.113   2.888   5.071
  164   2HA   GLY  23          HA1       GLY  23  -4.437   1.775   5.569
  165    H    ALA  24           HN       ALA  24  -4.619  -0.182   3.885
  166    HA   ALA  24           HA       ALA  24  -2.193  -1.453   4.774
  167   1HB   ALA  24          HB1       ALA  24  -4.427  -2.476   5.222
  168   2HB   ALA  24          HB2       ALA  24  -3.335  -3.597   4.338
  169   3HB   ALA  24          HB3       ALA  24  -4.654  -2.747   3.458
  170    H    CYS  25           HN       CYS  25  -0.422  -1.790   3.517
  171    HA   CYS  25           HA       CYS  25  -0.747  -1.984   0.619
  172   1HB   CYS  25          HB2       CYS  25   0.868  -0.218   1.517
  173   2HB   CYS  25          HB1       CYS  25   1.739  -1.505   2.394
  174    H    VAL  26           HN       VAL  26  -0.585  -4.011  -0.203
  175    HA   VAL  26           HA       VAL  26   1.327  -5.802   1.027
  176    HB   VAL  26           HB       VAL  26  -0.859  -6.766   1.567
  177   1HG1  VAL  26          HG11      VAL  26  -2.473  -7.508  -0.108
  178   2HG1  VAL  26          HG12      VAL  26  -1.477  -6.877  -1.465
  179   3HG1  VAL  26          HG13      VAL  26  -2.211  -5.736  -0.276
  180   1HG2  VAL  26          HG21      VAL  26  -0.420  -9.016   0.791
  181   2HG2  VAL  26          HG22      VAL  26   1.147  -8.193   1.101
  182   3HG2  VAL  26          HG23      VAL  26   0.579  -8.453  -0.589
  183    H    GLY  27           HN       GLY  27   0.592  -7.170  -1.943
  184   1HA   GLY  27          HA2       GLY  27   2.497  -5.494  -3.235
  185   2HA   GLY  27          HA1       GLY  27   1.516  -6.829  -3.951
  186    H    VAL  28           HN       VAL  28  -0.626  -4.750  -2.502
  187    HA   VAL  28           HA       VAL  28  -0.887  -2.868  -4.575
  188    HB   VAL  28           HB       VAL  28  -3.312  -3.274  -4.989
  189   1HG1  VAL  28          HG11      VAL  28  -1.487  -5.606  -5.873
  190   2HG1  VAL  28          HG12      VAL  28  -1.649  -4.001  -6.680
  191   3HG1  VAL  28          HG13      VAL  28  -3.049  -5.138  -6.641
  192   1HG2  VAL  28          HG21      VAL  28  -2.819  -5.941  -3.495
  193   2HG2  VAL  28          HG22      VAL  28  -4.264  -5.591  -4.504
  194   3HG2  VAL  28          HG23      VAL  28  -3.955  -4.613  -3.033
  195    H    CYS  29           HN       CYS  29  -2.535  -1.327  -3.729
  196    HA   CYS  29           HA       CYS  29  -2.491  -1.253  -0.817
  197   1HB   CYS  29          HB2       CYS  29  -3.669   0.559  -2.998
  198   2HB   CYS  29          HB1       CYS  29  -3.873   0.907  -1.258
  199    H    ALA  30           HN       ALA  30  -4.136  -2.011   0.426
  200    HA   ALA  30           HA       ALA  30  -6.806  -2.209  -0.777
  201   1HB   ALA  30          HB1       ALA  30  -5.833  -4.551  -0.778
  202   2HB   ALA  30          HB2       ALA  30  -7.200  -4.405   0.367
  203   3HB   ALA  30          HB3       ALA  30  -5.494  -4.395   0.981
  204    H    ASP  31           HN       ASP  31  -7.400  -3.470   2.103
  205    HA   ASP  31           HA       ASP  31  -6.841  -1.354   3.826
  206   1HB   ASP  31          HB2       ASP  31  -9.202  -0.782   4.400
  207   2HB   ASP  31          HB1       ASP  31  -8.799  -0.219   2.766
  208    H    LEU  32           HN       LEU  32  -8.778  -2.265   5.736
  209    HA   LEU  32           HA       LEU  32  -9.086  -5.050   5.444
  210   1HB   LEU  32          HB2       LEU  32  -8.027  -3.704   8.050
  211   2HB   LEU  32          HB1       LEU  32  -8.849  -5.294   7.998
  212    HG   LEU  32           HG       LEU  32  -6.578  -5.775   8.279
  213   1HD1  LEU  32          HD11      LEU  32  -7.022  -6.161   5.246
  214   2HD1  LEU  32          HD12      LEU  32  -7.690  -7.216   6.549
  215   3HD1  LEU  32          HD13      LEU  32  -5.909  -7.085   6.315
  216   1HD2  LEU  32          HD21      LEU  32  -5.625  -3.540   7.692
  217   2HD2  LEU  32          HD22      LEU  32  -5.796  -3.948   5.941
  218   3HD2  LEU  32          HD23      LEU  32  -4.681  -4.907   6.981
  219   1HN   NH2  33          H1        NH2  33 -12.103  -3.787   7.121
  220   2HN   NH2  33          H2        NH2  33 -11.186  -5.243   6.895
  Start of MODEL   15
    1   1H    ASP   1          HT1       ASP   1   2.437  11.711  -0.745
    2   2H    ASP   1          HT2       ASP   1   2.651  13.080   0.103
    3   3H    ASP   1          HT3       ASP   1   3.957  12.247  -0.427
    4    HA   ASP   1           HA       ASP   1   3.374  14.304  -1.722
    5   1HB   ASP   1          HB2       ASP   1   3.333  11.531  -3.163
    6   2HB   ASP   1          HB1       ASP   1   3.430  13.105  -4.042
    7    H    ASP   2           HN       ASP   2   1.474  11.869  -3.444
    8    HA   ASP   2           HA       ASP   2  -0.957  12.648  -2.005
    9   1HB   ASP   2          HB2       ASP   2  -1.031  12.436  -4.596
   10   2HB   ASP   2          HB1       ASP   2  -0.645  10.696  -4.389
   11    H    CYS   3           HN       CYS   3  -1.758   9.723  -2.327
   12    HA   CYS   3           HA       CYS   3   0.147   8.462  -0.468
   13   1HB   CYS   3          HB2       CYS   3  -1.782   6.896   0.032
   14   2HB   CYS   3          HB1       CYS   3  -2.117   8.579   0.518
   15    H    ILE   4           HN       ILE   4  -0.274   5.835  -1.116
   16    HA   ILE   4           HA       ILE   4  -0.033   5.728  -4.032
   17    HB   ILE   4           HB       ILE   4   0.173   3.473  -2.006
   18   1HG1  ILE   4          HG12      ILE   4   2.349   5.207  -3.342
   19   2HG1  ILE   4          HG11      ILE   4   1.946   5.157  -1.597
   20   1HG2  ILE   4          HG21      ILE   4   1.154   2.248  -3.978
   21   2HG2  ILE   4          HG22      ILE   4   0.926   3.696  -5.017
   22   3HG2  ILE   4          HG23      ILE   4  -0.492   2.798  -4.364
   23   1HD1  ILE   4          HD11      ILE   4   3.196   2.873  -3.249
   24   2HD1  ILE   4          HD12      ILE   4   2.616   2.707  -1.549
   25   3HD1  ILE   4          HD13      ILE   4   3.967   3.841  -1.945
   26    H    LYS   5           HN       LYS   5  -1.701   4.666  -5.218
   27    HA   LYS   5           HA       LYS   5  -4.149   5.645  -4.232
   28   1HB   LYS   5          HB2       LYS   5  -3.331   5.867  -6.643
   29   2HB   LYS   5          HB1       LYS   5  -3.552   4.094  -6.828
   30   1HG   LYS   5          HG2       LYS   5  -5.415   5.182  -7.859
   31   2HG   LYS   5          HG1       LYS   5  -6.041   4.418  -6.364
   32   1HD   LYS   5          HD2       LYS   5  -5.885   6.696  -5.211
   33   2HD   LYS   5          HD1       LYS   5  -5.353   7.407  -6.766
   34   1HE   LYS   5          HE2       LYS   5  -8.065   5.986  -6.250
   35   2HE   LYS   5          HE1       LYS   5  -7.805   7.775  -6.346
   36   1HZ   LYS   5          HZ1       LYS   5  -7.102   7.461  -8.606
   37   2HZ   LYS   5          HZ2       LYS   5  -8.600   6.866  -8.389
   38   3HZ   LYS   5          HZ3       LYS   5  -7.334   5.853  -8.519
   39    HA   HYP   6           HA       HYP   6  -5.437   1.645  -2.832
   40   1HB   HYP   6          HB1       HYP   6  -7.699   1.729  -1.976
   41   2HB   HYP   6          HB2       HYP   6  -8.242   2.749  -3.367
   42   1HD   HYP   6          HD1       HYP   6  -6.911   5.041  -3.771
   43   2HD   HYP   6          HD2       HYP   6  -5.513   5.297  -2.638
   44    HOD  HYP   6           HOD      HYP   6  -6.265   2.657  -0.609
   45    HG   HYP   6           HG       HYP   6  -7.840   4.425  -1.547
   46    H    TYR   7           HN       TYR   7  -5.655  -0.315  -3.822
   47    HA   TYR   7           HA       TYR   7  -5.740  -1.772  -5.295
   48   1HB   TYR   7          HB2       TYR   7  -7.868  -0.249  -6.874
   49   2HB   TYR   7          HB1       TYR   7  -7.476  -2.012  -6.992
   50    HD1  TYR   7           HD1      TYR   7  -9.807   0.164  -5.655
   51    HD2  TYR   7           HD2      TYR   7  -7.302  -3.095  -4.378
   52    HE1  TYR   7           HE1      TYR   7 -11.282  -0.216  -3.713
   53    HE2  TYR   7           HE2      TYR   7  -8.744  -3.455  -2.435
   54    HH   TYR   7           HH       TYR   7 -10.516  -2.656  -1.210
   55    H    GLY   8           HN       GLY   8  -4.095   0.832  -5.615
   56   1HA   GLY   8          HA2       GLY   8  -3.064   0.223  -8.287
   57   2HA   GLY   8          HA1       GLY   8  -2.594   1.557  -7.133
   58    H    PHE   9           HN       PHE   9  -0.466   0.007  -8.084
   59    HA   PHE   9           HA       PHE   9  -0.094  -2.176  -6.214
   60   1HB   PHE   9          HB2       PHE   9   0.594  -2.300  -8.732
   61   2HB   PHE   9          HB1       PHE   9   1.930  -1.171  -8.314
   62    HD1  PHE   9           HD1      PHE   9   3.855  -2.009  -7.054
   63    HD2  PHE   9           HD2      PHE   9   0.436  -4.541  -7.698
   64    HE1  PHE   9           HE1      PHE   9   5.154  -3.964  -6.290
   65    HE2  PHE   9           HE2      PHE   9   1.741  -6.493  -6.927
   66    HZ   PHE   9           HZ       PHE   9   4.101  -6.212  -6.228
   67    H    CYS  10           HN       CYS  10   1.561  -2.055  -4.516
   68    HA   CYS  10           HA       CYS  10   2.717   0.655  -4.216
   69   1HB   CYS  10          HB2       CYS  10   3.065   0.031  -1.779
   70   2HB   CYS  10          HB1       CYS  10   1.417   0.480  -2.289
   71    H    SER  11           HN       SER  11   3.671  -2.468  -2.619
   72    HA   SER  11           HA       SER  11   5.985  -2.780  -4.126
   73   1HB   SER  11          HB2       SER  11   7.501  -1.971  -2.082
   74   2HB   SER  11          HB1       SER  11   6.876  -0.717  -3.205
   75    HG   SER  11           HG       SER  11   6.546  -0.106  -1.093
   76    H    LEU  12           HN       LEU  12   7.431  -4.078  -2.038
   77    HA   LEU  12           HA       LEU  12   5.613  -5.498  -0.434
   78   1HB   LEU  12          HB2       LEU  12   7.801  -6.807  -2.229
   79   2HB   LEU  12          HB1       LEU  12   7.128  -7.567  -0.758
   80    HG   LEU  12           HG       LEU  12   6.168  -8.663  -2.595
   81   1HD1  LEU  12          HD11      LEU  12   4.603  -8.195  -0.701
   82   2HD1  LEU  12          HD12      LEU  12   3.747  -8.386  -2.273
   83   3HD1  LEU  12          HD13      LEU  12   3.981  -6.742  -1.572
   84   1HD2  LEU  12          HD21      LEU  12   5.158  -6.028  -3.816
   85   2HD2  LEU  12          HD22      LEU  12   4.937  -7.690  -4.460
   86   3HD2  LEU  12          HD23      LEU  12   6.587  -6.972  -4.387
   87    HA   PRO  13           HA       PRO  13   6.964  -7.041   1.470
   88   1HB   PRO  13          HB2       PRO  13   7.729  -5.267   3.864
   89   2HB   PRO  13          HB1       PRO  13   7.794  -7.072   3.762
   90   1HG   PRO  13          HG1       PRO  13  10.089  -5.610   3.529
   91   2HG   PRO  13          HG2       PRO  13   9.791  -6.977   2.372
   92   1HD   PRO  13          HD1       PRO  13   9.325  -3.974   1.906
   93   2HD   PRO  13          HD2       PRO  13  10.091  -5.201   0.799
   94    H    ILE  14           HN       ILE  14   5.180  -7.143   3.065
   95    HA   ILE  14           HA       ILE  14   3.244  -5.144   2.328
   96    HB   ILE  14           HB       ILE  14   1.587  -6.750   3.120
   97   1HG1  ILE  14          HG12      ILE  14   3.951  -8.566   3.960
   98   2HG1  ILE  14          HG11      ILE  14   2.856  -7.697   5.086
   99   1HG2  ILE  14          HG21      ILE  14   3.733  -8.223   1.447
  100   2HG2  ILE  14          HG22      ILE  14   2.705  -6.888   0.805
  101   3HG2  ILE  14          HG23      ILE  14   1.947  -8.417   1.373
  102   1HD1  ILE  14          HD11      ILE  14   2.129 -10.031   4.894
  103   2HD1  ILE  14          HD12      ILE  14   2.013  -9.908   3.104
  104   3HD1  ILE  14          HD13      ILE  14   0.886  -8.962   4.149
  105    H    LEU  15           HN       LEU  15   1.633  -4.671   4.032
  106    HA   LEU  15           HA       LEU  15   0.883  -4.544   6.163
  107   1HB   LEU  15          HB2       LEU  15   3.739  -4.018   7.153
  108   2HB   LEU  15          HB1       LEU  15   2.247  -3.782   8.133
  109    HG   LEU  15           HG       LEU  15   3.296  -6.433   6.992
  110   1HD1  LEU  15          HD11      LEU  15   4.664  -5.533   8.870
  111   2HD1  LEU  15          HD12      LEU  15   3.782  -7.028   9.354
  112   3HD1  LEU  15          HD13      LEU  15   3.192  -5.416   9.908
  113   1HD2  LEU  15          HD21      LEU  15   0.817  -5.935   8.765
  114   2HD2  LEU  15          HD22      LEU  15   1.540  -7.544   8.400
  115   3HD2  LEU  15          HD23      LEU  15   0.831  -6.567   7.070
  116    H    LYS  16           HN       LYS  16   3.360  -2.128   6.769
  117    HA   LYS  16           HA       LYS  16   1.925  -0.217   5.110
  118   1HB   LYS  16          HB2       LYS  16   3.198   0.351   7.877
  119   2HB   LYS  16          HB1       LYS  16   2.419   1.552   6.792
  120   1HG   LYS  16          HG2       LYS  16   1.024  -0.796   8.232
  121   2HG   LYS  16          HG1       LYS  16   1.028   0.905   8.800
  122   1HD   LYS  16          HD2       LYS  16  -0.231   1.656   6.832
  123   2HD   LYS  16          HD1       LYS  16  -0.152   0.031   6.079
  124   1HE   LYS  16          HE2       LYS  16  -1.586   0.633   8.758
  125   2HE   LYS  16          HE1       LYS  16  -2.390   0.506   7.141
  126   1HZ   LYS  16          HZ1       LYS  16  -2.499  -1.528   8.339
  127   2HZ   LYS  16          HZ2       LYS  16  -0.880  -1.632   8.476
  128   3HZ   LYS  16          HZ3       LYS  16  -1.581  -1.737   7.012
  129    H    ASN  17           HN       ASN  17   3.562   0.688   3.818
  130    HA   ASN  17           HA       ASN  17   6.299   0.602   4.380
  131   1HB   ASN  17          HB2       ASN  17   6.198  -1.898   4.111
  132   2HB   ASN  17          HB1       ASN  17   5.174  -1.726   2.648
  133   1HD2  ASN  17          HD21      ASN  17   6.664  -2.828   1.314
  134   2HD2  ASN  17          HD22      ASN  17   8.154  -2.099   0.769
  135    H    GLY  18           HN       GLY  18   3.915  -0.245   1.807
  136   1HA   GLY  18          HA2       GLY  18   4.361   2.298   0.471
  137   2HA   GLY  18          HA1       GLY  18   3.096   1.025   0.153
  138    H    LEU  19           HN       LEU  19   2.928   4.084   0.836
  139    HA   LEU  19           HA       LEU  19   1.245   3.818   3.235
  140   1HB   LEU  19          HB2       LEU  19   2.425   6.339   1.909
  141   2HB   LEU  19          HB1       LEU  19   1.181   6.341   3.197
  142    HG   LEU  19           HG       LEU  19   3.250   6.882   4.199
  143   1HD1  LEU  19          HD11      LEU  19   3.484   5.210   5.982
  144   2HD1  LEU  19          HD12      LEU  19   2.686   3.950   4.977
  145   3HD1  LEU  19          HD13      LEU  19   1.746   5.385   5.537
  146   1HD2  LEU  19          HD21      LEU  19   4.845   5.959   2.512
  147   2HD2  LEU  19          HD22      LEU  19   4.556   4.295   3.145
  148   3HD2  LEU  19          HD23      LEU  19   5.304   5.539   4.199
  149    H    CYS  20           HN       CYS  20  -0.539   2.947   2.312
  150    HA   CYS  20           HA       CYS  20  -1.554   4.042  -0.177
  151   1HB   CYS  20          HB2       CYS  20  -2.674   1.884   1.708
  152   2HB   CYS  20          HB1       CYS  20  -3.289   2.269   0.076
  153    H    CYS  21           HN       CYS  21  -3.783   5.045  -0.214
  154    HA   CYS  21           HA       CYS  21  -4.244   6.656   2.096
  155   1HB   CYS  21          HB2       CYS  21  -5.916   6.140  -0.415
  156   2HB   CYS  21          HB1       CYS  21  -6.611   7.023   0.970
  157    H    SER  22           HN       SER  22  -5.573   3.562   0.966
  158    HA   SER  22           HA       SER  22  -7.401   3.404   3.199
  159   1HB   SER  22          HB2       SER  22  -7.884   1.102   2.144
  160   2HB   SER  22          HB1       SER  22  -8.244   2.538   1.121
  161    HG   SER  22           HG       SER  22  -6.233   0.610   0.929
  162    H    GLY  23           HN       GLY  23  -4.192   3.417   3.271
  163   1HA   GLY  23          HA2       GLY  23  -3.025   2.901   5.050
  164   2HA   GLY  23          HA1       GLY  23  -4.263   1.701   5.578
  165    H    ALA  24           HN       ALA  24  -4.392  -0.267   3.954
  166    HA   ALA  24           HA       ALA  24  -1.835  -1.357   4.675
  167   1HB   ALA  24          HB1       ALA  24  -4.256  -2.819   3.483
  168   2HB   ALA  24          HB2       ALA  24  -3.932  -2.603   5.247
  169   3HB   ALA  24          HB3       ALA  24  -2.812  -3.584   4.239
  170    H    CYS  25           HN       CYS  25  -0.197  -2.091   3.434
  171    HA   CYS  25           HA       CYS  25  -0.536  -2.033   0.505
  172   1HB   CYS  25          HB2       CYS  25   1.272  -0.512   1.282
  173   2HB   CYS  25          HB1       CYS  25   1.924  -1.798   2.342
  174    H    VAL  26           HN       VAL  26  -0.741  -4.102  -0.336
  175    HA   VAL  26           HA       VAL  26   0.440  -6.321   1.136
  176    HB   VAL  26           HB       VAL  26  -1.817  -6.018   2.025
  177   1HG1  VAL  26          HG11      VAL  26  -2.903  -4.812   0.156
  178   2HG1  VAL  26          HG12      VAL  26  -3.829  -6.290   0.590
  179   3HG1  VAL  26          HG13      VAL  26  -2.812  -6.276  -0.892
  180   1HG2  VAL  26          HG21      VAL  26  -1.643  -8.504   0.213
  181   2HG2  VAL  26          HG22      VAL  26  -2.629  -8.303   1.705
  182   3HG2  VAL  26          HG23      VAL  26  -0.831  -8.307   1.811
  183    H    GLY  27           HN       GLY  27   1.515  -4.917  -0.994
  184   1HA   GLY  27          HA2       GLY  27   2.479  -5.581  -2.959
  185   2HA   GLY  27          HA1       GLY  27   1.133  -6.758  -3.255
  186    H    VAL  28           HN       VAL  28  -1.114  -5.626  -3.231
  187    HA   VAL  28           HA       VAL  28  -0.989  -3.101  -4.698
  188    HB   VAL  28           HB       VAL  28  -3.431  -3.335  -4.990
  189   1HG1  VAL  28          HG11      VAL  28  -1.808  -4.079  -6.725
  190   2HG1  VAL  28          HG12      VAL  28  -3.267  -5.134  -6.710
  191   3HG1  VAL  28          HG13      VAL  28  -1.724  -5.720  -5.982
  192   1HG2  VAL  28          HG21      VAL  28  -3.046  -6.141  -3.709
  193   2HG2  VAL  28          HG22      VAL  28  -4.541  -5.494  -4.463
  194   3HG2  VAL  28          HG23      VAL  28  -3.920  -4.751  -2.954
  195    H    CYS  29           HN       CYS  29  -2.495  -1.399  -3.872
  196    HA   CYS  29           HA       CYS  29  -2.385  -1.257  -0.958
  197   1HB   CYS  29          HB2       CYS  29  -3.372   0.571  -3.210
  198   2HB   CYS  29          HB1       CYS  29  -3.759   0.937  -1.501
  199    H    ALA  30           HN       ALA  30  -4.053  -1.839   0.363
  200    HA   ALA  30           HA       ALA  30  -6.721  -2.082  -0.793
  201   1HB   ALA  30          HB1       ALA  30  -5.677  -4.413  -1.033
  202   2HB   ALA  30          HB2       ALA  30  -7.044  -4.389   0.125
  203   3HB   ALA  30          HB3       ALA  30  -5.339  -4.401   0.732
  204    H    ASP  31           HN       ASP  31  -7.221  -3.624   1.938
  205    HA   ASP  31           HA       ASP  31  -6.455  -1.694   3.848
  206   1HB   ASP  31          HB2       ASP  31  -8.812  -1.657   4.856
  207   2HB   ASP  31          HB1       ASP  31  -8.647  -0.672   3.368
  208    H    LEU  32           HN       LEU  32  -7.023  -3.064   6.013
  209    HA   LEU  32           HA       LEU  32  -7.493  -5.784   5.589
  210   1HB   LEU  32          HB2       LEU  32  -4.838  -4.726   6.830
  211   2HB   LEU  32          HB1       LEU  32  -5.468  -6.381   7.107
  212    HG   LEU  32           HG       LEU  32  -4.616  -5.254   4.372
  213   1HD1  LEU  32          HD11      LEU  32  -3.052  -7.141   6.248
  214   2HD1  LEU  32          HD12      LEU  32  -2.672  -5.407   5.932
  215   3HD1  LEU  32          HD13      LEU  32  -2.554  -6.611   4.597
  216   1HD2  LEU  32          HD21      LEU  32  -5.323  -8.142   5.205
  217   2HD2  LEU  32          HD22      LEU  32  -4.611  -7.644   3.624
  218   3HD2  LEU  32          HD23      LEU  32  -6.249  -7.070   4.082
  219   1HN   NH2  33          H1        NH2  33  -7.877  -6.360   8.074
  220   2HN   NH2  33          H2        NH2  33  -8.349  -5.037   9.091
  Start of MODEL   16
    1   1H    ASP   1          HT1       ASP   1   6.141   9.955  -4.164
    2   2H    ASP   1          HT2       ASP   1   6.226   8.423  -4.754
    3   3H    ASP   1          HT3       ASP   1   5.767   8.707  -3.200
    4    HA   ASP   1           HA       ASP   1   4.256   9.546  -5.552
    5   1HB   ASP   1          HB2       ASP   1   3.569   7.479  -3.324
    6   2HB   ASP   1          HB1       ASP   1   2.402   8.064  -4.562
    7    H    ASP   2           HN       ASP   2   1.984   9.388  -3.336
    8    HA   ASP   2           HA       ASP   2   2.843  11.665  -1.689
    9   1HB   ASP   2          HB2       ASP   2   1.269  12.517  -3.509
   10   2HB   ASP   2          HB1       ASP   2   0.083  11.254  -3.081
   11    H    CYS   3           HN       CYS   3  -0.052   9.587  -2.210
   12    HA   CYS   3           HA       CYS   3   0.831   7.752  -0.210
   13   1HB   CYS   3          HB2       CYS   3  -1.461   7.262   0.520
   14   2HB   CYS   3          HB1       CYS   3  -1.154   8.982   0.868
   15    H    ILE   4           HN       ILE   4  -0.547   5.702  -1.094
   16    HA   ILE   4           HA       ILE   4  -0.431   5.897  -4.031
   17    HB   ILE   4           HB       ILE   4  -0.124   3.416  -2.303
   18   1HG1  ILE   4          HG12      ILE   4   1.912   5.438  -3.422
   19   2HG1  ILE   4          HG11      ILE   4   1.683   4.910  -1.714
   20   1HG2  ILE   4          HG21      ILE   4  -0.856   2.983  -4.703
   21   2HG2  ILE   4          HG22      ILE   4   0.781   2.398  -4.370
   22   3HG2  ILE   4          HG23      ILE   4   0.570   3.923  -5.288
   23   1HD1  ILE   4          HD11      ILE   4   3.574   3.684  -2.258
   24   2HD1  ILE   4          HD12      ILE   4   3.132   3.517  -3.996
   25   3HD1  ILE   4          HD13      ILE   4   2.312   2.506  -2.744
   26    H    LYS   5           HN       LYS   5  -2.010   4.597  -5.127
   27    HA   LYS   5           HA       LYS   5  -4.567   5.491  -4.413
   28   1HB   LYS   5          HB2       LYS   5  -3.663   5.418  -6.785
   29   2HB   LYS   5          HB1       LYS   5  -3.534   3.628  -6.644
   30   1HG   LYS   5          HG2       LYS   5  -5.999   3.457  -6.474
   31   2HG   LYS   5          HG1       LYS   5  -6.169   5.235  -6.629
   32   1HD   LYS   5          HD2       LYS   5  -5.289   5.194  -8.902
   33   2HD   LYS   5          HD1       LYS   5  -4.713   3.502  -8.732
   34   1HE   LYS   5          HE2       LYS   5  -7.676   4.389  -8.782
   35   2HE   LYS   5          HE1       LYS   5  -6.775   3.570 -10.124
   36   1HZ   LYS   5          HZ1       LYS   5  -6.529   1.675  -8.709
   37   2HZ   LYS   5          HZ2       LYS   5  -8.101   2.077  -8.810
   38   3HZ   LYS   5          HZ3       LYS   5  -7.261   2.414  -7.460
   39    HA   HYP   6           HA       HYP   6  -5.734   1.566  -2.557
   40   1HB   HYP   6          HB1       HYP   6  -8.055   1.698  -1.889
   41   2HB   HYP   6          HB2       HYP   6  -8.549   2.264  -3.526
   42   1HD   HYP   6          HD1       HYP   6  -7.353   4.520  -4.401
   43   2HD   HYP   6          HD2       HYP   6  -6.259   5.310  -3.181
   44    HOD  HYP   6           HOD      HYP   6  -6.728   3.097  -0.814
   45    HG   HYP   6           HG       HYP   6  -8.623   4.356  -2.254
   46    H    TYR   7           HN       TYR   7  -5.642  -0.530  -3.522
   47    HA   TYR   7           HA       TYR   7  -5.333  -1.941  -5.026
   48   1HB   TYR   7          HB2       TYR   7  -7.842  -0.851  -6.419
   49   2HB   TYR   7          HB1       TYR   7  -7.028  -2.418  -6.801
   50    HD1  TYR   7           HD1      TYR   7  -6.559  -4.021  -4.837
   51    HD2  TYR   7           HD2      TYR   7  -9.451  -0.847  -4.637
   52    HE1  TYR   7           HE1      TYR   7  -7.592  -5.095  -2.873
   53    HE2  TYR   7           HE2      TYR   7 -10.502  -1.924  -2.689
   54    HH   TYR   7           HH       TYR   7 -10.400  -3.657  -1.189
   55    H    GLY   8           HN       GLY   8  -3.924   0.642  -5.353
   56   1HA   GLY   8          HA2       GLY   8  -3.068   0.145  -8.131
   57   2HA   GLY   8          HA1       GLY   8  -2.593   1.503  -7.015
   58    H    PHE   9           HN       PHE   9  -0.561  -0.138  -8.194
   59    HA   PHE   9           HA       PHE   9   0.175  -2.169  -6.294
   60   1HB   PHE   9          HB2       PHE   9   1.896  -0.727  -8.430
   61   2HB   PHE   9          HB1       PHE   9   2.389  -2.199  -7.517
   62    HD1  PHE   9           HD1      PHE   9   1.969  -1.471 -10.611
   63    HD2  PHE   9           HD2      PHE   9  -0.126  -3.897  -7.738
   64    HE1  PHE   9           HE1      PHE   9   1.197  -2.957 -12.423
   65    HE2  PHE   9           HE2      PHE   9  -0.909  -5.364  -9.562
   66    HZ   PHE   9           HZ       PHE   9  -0.244  -4.906 -11.904
   67    H    CYS  10           HN       CYS  10   1.797  -1.932  -4.657
   68    HA   CYS  10           HA       CYS  10   2.642   0.865  -4.202
   69   1HB   CYS  10          HB2       CYS  10   2.504   0.306  -1.691
   70   2HB   CYS  10          HB1       CYS  10   0.979   0.578  -2.563
   71    H    SER  11           HN       SER  11   4.641   0.835  -2.583
   72    HA   SER  11           HA       SER  11   6.440  -1.266  -3.348
   73   1HB   SER  11          HB2       SER  11   7.965   0.674  -4.286
   74   2HB   SER  11          HB1       SER  11   6.601   0.160  -5.350
   75    HG   SER  11           HG       SER  11   6.710   2.403  -5.170
   76    H    LEU  12           HN       LEU  12   8.577  -0.712  -2.126
   77    HA   LEU  12           HA       LEU  12   8.399   1.081   0.017
   78   1HB   LEU  12          HB2       LEU  12   8.943  -1.968   0.309
   79   2HB   LEU  12          HB1       LEU  12   9.235  -0.766   1.610
   80    HG   LEU  12           HG       LEU  12   6.473  -1.435   0.416
   81   1HD1  LEU  12          HD11      LEU  12   7.393  -3.456   1.513
   82   2HD1  LEU  12          HD12      LEU  12   6.028  -2.760   2.463
   83   3HD1  LEU  12          HD13      LEU  12   7.732  -2.518   3.017
   84   1HD2  LEU  12          HD21      LEU  12   6.594   0.821   1.469
   85   2HD2  LEU  12          HD22      LEU  12   7.214   0.090   2.999
   86   3HD2  LEU  12          HD23      LEU  12   5.551  -0.291   2.426
   87    HA   PRO  13           HA       PRO  13  10.872   0.810   1.610
   88   1HB   PRO  13          HB2       PRO  13  12.975   2.690   0.377
   89   2HB   PRO  13          HB1       PRO  13  13.072   1.793   1.942
   90   1HG   PRO  13          HG1       PRO  13  14.440   0.897  -0.246
   91   2HG   PRO  13          HG2       PRO  13  13.522  -0.291   0.773
   92   1HD   PRO  13          HD1       PRO  13  12.615   1.002  -1.867
   93   2HD   PRO  13          HD2       PRO  13  12.523  -0.740  -1.357
   94    H    ILE  14           HN       ILE  14  10.439   2.987   2.689
   95    HA   ILE  14           HA       ILE  14   8.630   4.442   0.986
   96    HB   ILE  14           HB       ILE  14   7.755   5.431   2.994
   97   1HG1  ILE  14          HG12      ILE  14   9.907   3.862   4.572
   98   2HG1  ILE  14          HG11      ILE  14   9.904   5.637   4.319
   99   1HG2  ILE  14          HG21      ILE  14   8.196   2.386   3.414
  100   2HG2  ILE  14          HG22      ILE  14   7.118   3.092   2.158
  101   3HG2  ILE  14          HG23      ILE  14   6.777   3.374   3.901
  102   1HD1  ILE  14          HD11      ILE  14   7.715   5.831   5.525
  103   2HD1  ILE  14          HD12      ILE  14   9.012   5.108   6.542
  104   3HD1  ILE  14          HD13      ILE  14   7.735   4.056   5.840
  105    H    LEU  15           HN       LEU  15   9.028   6.462   0.180
  106    HA   LEU  15           HA       LEU  15  10.852   8.174   1.774
  107   1HB   LEU  15          HB2       LEU  15  10.035   8.352  -1.205
  108   2HB   LEU  15          HB1       LEU  15  10.851   9.686  -0.318
  109    HG   LEU  15           HG       LEU  15  11.998   6.857  -0.724
  110   1HD1  LEU  15          HD11      LEU  15  12.710   9.439  -2.264
  111   2HD1  LEU  15          HD12      LEU  15  11.725   8.065  -2.903
  112   3HD1  LEU  15          HD13      LEU  15  13.454   7.805  -2.461
  113   1HD2  LEU  15          HD21      LEU  15  13.011   7.878   1.254
  114   2HD2  LEU  15          HD22      LEU  15  13.283   9.438   0.390
  115   3HD2  LEU  15          HD23      LEU  15  14.200   7.967  -0.087
  116    H    LYS  16           HN       LYS  16   8.133   8.317  -0.571
  117    HA   LYS  16           HA       LYS  16   6.276   8.944   1.519
  118   1HB   LYS  16          HB2       LYS  16   6.568  10.765  -0.981
  119   2HB   LYS  16          HB1       LYS  16   5.111  10.681   0.064
  120   1HG   LYS  16          HG2       LYS  16   6.518  11.469   2.026
  121   2HG   LYS  16          HG1       LYS  16   7.922  11.612   0.916
  122   1HD   LYS  16          HD2       LYS  16   7.020  13.806   1.191
  123   2HD   LYS  16          HD1       LYS  16   6.586  13.285  -0.474
  124   1HE   LYS  16          HE2       LYS  16   4.222  12.838   0.266
  125   2HE   LYS  16          HE1       LYS  16   4.687  13.183   1.979
  126   1HZ   LYS  16          HZ1       LYS  16   3.696  15.068   1.054
  127   2HZ   LYS  16          HZ2       LYS  16   4.659  15.089  -0.254
  128   3HZ   LYS  16          HZ3       LYS  16   5.277  15.413   1.217
  129    H    ASN  17           HN       ASN  17   5.732   6.683   1.056
  130    HA   ASN  17           HA       ASN  17   4.116   6.130  -0.973
  131   1HB   ASN  17          HB2       ASN  17   5.454   4.500  -2.384
  132   2HB   ASN  17          HB1       ASN  17   5.959   6.176  -2.669
  133   1HD2  ASN  17          HD21      ASN  17   7.153   3.023  -1.962
  134   2HD2  ASN  17          HD22      ASN  17   8.706   3.483  -1.309
  135    H    GLY  18           HN       GLY  18   4.683   3.268  -0.808
  136   1HA   GLY  18          HA2       GLY  18   4.561   1.624   0.640
  137   2HA   GLY  18          HA1       GLY  18   5.016   2.731   1.997
  138    H    LEU  19           HN       LEU  19   3.400   4.598   2.118
  139    HA   LEU  19           HA       LEU  19   1.154   3.454   3.323
  140   1HB   LEU  19          HB2       LEU  19   1.608   6.423   2.700
  141   2HB   LEU  19          HB1       LEU  19   0.540   5.751   3.971
  142    HG   LEU  19           HG       LEU  19   3.627   5.627   3.850
  143   1HD1  LEU  19          HD11      LEU  19   3.590   7.177   5.759
  144   2HD1  LEU  19          HD12      LEU  19   1.781   7.193   5.753
  145   3HD1  LEU  19          HD13      LEU  19   2.701   7.879   4.361
  146   1HD2  LEU  19          HD21      LEU  19   3.533   4.706   6.193
  147   2HD2  LEU  19          HD22      LEU  19   2.887   3.572   4.960
  148   3HD2  LEU  19          HD23      LEU  19   1.749   4.492   6.021
  149    H    CYS  20           HN       CYS  20  -0.778   2.874   2.409
  150    HA   CYS  20           HA       CYS  20  -1.503   4.059  -0.163
  151   1HB   CYS  20          HB2       CYS  20  -2.805   1.787   1.432
  152   2HB   CYS  20          HB1       CYS  20  -3.290   2.361  -0.198
  153    H    CYS  21           HN       CYS  21  -3.674   5.186  -0.257
  154    HA   CYS  21           HA       CYS  21  -4.036   6.645   2.179
  155   1HB   CYS  21          HB2       CYS  21  -5.237   6.800  -0.596
  156   2HB   CYS  21          HB1       CYS  21  -6.219   7.437   0.747
  157    H    SER  22           HN       SER  22  -5.463   3.704   0.939
  158    HA   SER  22           HA       SER  22  -7.652   3.829   2.822
  159   1HB   SER  22          HB2       SER  22  -7.983   1.422   1.840
  160   2HB   SER  22          HB1       SER  22  -8.259   2.833   0.768
  161    HG   SER  22           HG       SER  22  -6.175   0.963   0.812
  162    H    GLY  23           HN       GLY  23  -4.300   3.255   3.002
  163   1HA   GLY  23          HA2       GLY  23  -3.620   2.947   5.187
  164   2HA   GLY  23          HA1       GLY  23  -4.733   1.545   5.362
  165    H    ALA  24           HN       ALA  24  -4.304  -0.379   3.924
  166    HA   ALA  24           HA       ALA  24  -1.481  -0.788   4.463
  167   1HB   ALA  24          HB1       ALA  24  -3.700  -2.852   3.951
  168   2HB   ALA  24          HB2       ALA  24  -3.117  -2.313   5.576
  169   3HB   ALA  24          HB3       ALA  24  -2.010  -3.216   4.487
  170    H    CYS  25           HN       CYS  25  -0.151  -2.188   3.161
  171    HA   CYS  25           HA       CYS  25  -0.700  -2.070   0.292
  172   1HB   CYS  25          HB2       CYS  25   1.198  -0.509   0.880
  173   2HB   CYS  25          HB1       CYS  25   1.917  -1.763   1.933
  174    H    VAL  26           HN       VAL  26  -0.756  -4.223  -0.487
  175    HA   VAL  26           HA       VAL  26   0.772  -6.226   0.955
  176    HB   VAL  26           HB       VAL  26  -1.453  -6.300   1.986
  177   1HG1  VAL  26          HG11      VAL  26  -2.790  -5.272   0.139
  178   2HG1  VAL  26          HG12      VAL  26  -3.503  -6.816   0.716
  179   3HG1  VAL  26          HG13      VAL  26  -2.607  -6.776  -0.841
  180   1HG2  VAL  26          HG21      VAL  26  -1.883  -8.690   1.701
  181   2HG2  VAL  26          HG22      VAL  26  -0.107  -8.385   1.661
  182   3HG2  VAL  26          HG23      VAL  26  -1.006  -8.719   0.131
  183    H    GLY  27           HN       GLY  27   1.520  -4.695  -1.172
  184   1HA   GLY  27          HA2       GLY  27   2.557  -5.223  -3.125
  185   2HA   GLY  27          HA1       GLY  27   1.421  -6.605  -3.395
  186    H    VAL  28           HN       VAL  28  -0.995  -5.674  -3.222
  187    HA   VAL  28           HA       VAL  28  -1.238  -3.260  -4.881
  188    HB   VAL  28           HB       VAL  28  -3.731  -3.759  -4.766
  189   1HG1  VAL  28          HG11      VAL  28  -2.357  -4.215  -6.780
  190   2HG1  VAL  28          HG12      VAL  28  -3.621  -5.481  -6.579
  191   3HG1  VAL  28          HG13      VAL  28  -1.908  -5.843  -6.142
  192   1HG2  VAL  28          HG21      VAL  28  -3.659  -5.292  -2.745
  193   2HG2  VAL  28          HG22      VAL  28  -2.778  -6.528  -3.721
  194   3HG2  VAL  28          HG23      VAL  28  -4.452  -6.049  -4.157
  195    H    CYS  29           HN       CYS  29  -2.534  -1.542  -3.885
  196    HA   CYS  29           HA       CYS  29  -2.322  -1.438  -1.001
  197   1HB   CYS  29          HB2       CYS  29  -3.674   0.295  -3.139
  198   2HB   CYS  29          HB1       CYS  29  -3.863   0.655  -1.397
  199    H    ALA  30           HN       ALA  30  -4.010  -1.693   0.499
  200    HA   ALA  30           HA       ALA  30  -6.648  -2.344  -0.607
  201   1HB   ALA  30          HB1       ALA  30  -5.221  -4.070   1.516
  202   2HB   ALA  30          HB2       ALA  30  -5.467  -4.570  -0.192
  203   3HB   ALA  30          HB3       ALA  30  -6.892  -4.333   0.860
  204    H    ASP  31           HN       ASP  31  -7.515  -3.019   2.157
  205    HA   ASP  31           HA       ASP  31  -6.873  -0.737   3.725
  206   1HB   ASP  31          HB2       ASP  31  -9.279  -0.537   4.480
  207   2HB   ASP  31          HB1       ASP  31  -9.104   0.037   2.800
  208    H    LEU  32           HN       LEU  32  -7.708  -1.590   6.025
  209    HA   LEU  32           HA       LEU  32  -8.398  -4.262   6.189
  210   1HB   LEU  32          HB2       LEU  32  -5.672  -3.257   7.312
  211   2HB   LEU  32          HB1       LEU  32  -6.545  -4.655   8.011
  212    HG   LEU  32           HG       LEU  32  -5.455  -4.524   5.137
  213   1HD1  LEU  32          HD11      LEU  32  -4.350  -5.999   7.609
  214   2HD1  LEU  32          HD12      LEU  32  -3.611  -4.577   6.786
  215   3HD1  LEU  32          HD13      LEU  32  -3.734  -6.156   5.927
  216   1HD2  LEU  32          HD21      LEU  32  -7.409  -6.020   5.225
  217   2HD2  LEU  32          HD22      LEU  32  -6.759  -6.858   6.688
  218   3HD2  LEU  32          HD23      LEU  32  -5.914  -6.999   5.102
  219   1HN   NH2  33          H1        NH2  33  -8.824  -4.209   8.814
  220   2HN   NH2  33          H2        NH2  33  -9.255  -2.645   9.424
  Start of MODEL   17
    1   1H    ASP   1          HT1       ASP   1  -4.684  15.708  -2.349
    2   2H    ASP   1          HT2       ASP   1  -4.794  16.723  -1.062
    3   3H    ASP   1          HT3       ASP   1  -5.584  15.293  -1.054
    4    HA   ASP   1           HA       ASP   1  -2.754  15.825  -0.739
    5   1HB   ASP   1          HB2       ASP   1  -4.510  13.533   0.453
    6   2HB   ASP   1          HB1       ASP   1  -2.824  13.941   0.936
    7    H    ASP   2           HN       ASP   2  -2.099  12.778  -0.645
    8    HA   ASP   2           HA       ASP   2  -3.049  11.678  -2.936
    9   1HB   ASP   2          HB2       ASP   2  -1.014  11.458  -4.291
   10   2HB   ASP   2          HB1       ASP   2  -1.462  13.193  -4.202
   11    H    CYS   3           HN       CYS   3  -1.154   9.628  -3.032
   12    HA   CYS   3           HA       CYS   3  -0.056   8.759  -0.734
   13   1HB   CYS   3          HB2       CYS   3  -1.924   7.092  -0.106
   14   2HB   CYS   3          HB1       CYS   3  -2.323   8.764   0.365
   15    H    ILE   4           HN       ILE   4  -0.304   6.109  -1.392
   16    HA   ILE   4           HA       ILE   4  -0.329   6.026  -4.311
   17    HB   ILE   4           HB       ILE   4  -0.069   3.747  -2.302
   18   1HG1  ILE   4          HG12      ILE   4   2.063   5.356  -3.857
   19   2HG1  ILE   4          HG11      ILE   4   1.802   5.326  -2.088
   20   1HG2  ILE   4          HG21      ILE   4   0.730   2.443  -4.309
   21   2HG2  ILE   4          HG22      ILE   4   0.385   3.848  -5.382
   22   3HG2  ILE   4          HG23      ILE   4  -0.943   2.971  -4.534
   23   1HD1  ILE   4          HD11      ILE   4   3.724   3.909  -2.621
   24   2HD1  ILE   4          HD12      ILE   4   2.781   2.972  -3.831
   25   3HD1  ILE   4          HD13      ILE   4   2.365   2.843  -2.075
   26    H    LYS   5           HN       LYS   5  -2.003   5.045  -5.468
   27    HA   LYS   5           HA       LYS   5  -4.509   5.758  -4.478
   28   1HB   LYS   5          HB2       LYS   5  -3.614   5.807  -6.949
   29   2HB   LYS   5          HB1       LYS   5  -3.952   4.050  -6.983
   30   1HG   LYS   5          HG2       LYS   5  -5.800   5.111  -8.025
   31   2HG   LYS   5          HG1       LYS   5  -6.422   4.695  -6.396
   32   1HD   LYS   5          HD2       LYS   5  -6.089   7.082  -5.670
   33   2HD   LYS   5          HD1       LYS   5  -5.259   7.445  -7.218
   34   1HE   LYS   5          HE2       LYS   5  -7.574   8.337  -7.259
   35   2HE   LYS   5          HE1       LYS   5  -7.361   7.039  -8.503
   36   1HZ   LYS   5          HZ1       LYS   5  -9.379   6.805  -7.287
   37   2HZ   LYS   5          HZ2       LYS   5  -8.608   6.701  -5.859
   38   3HZ   LYS   5          HZ3       LYS   5  -8.415   5.531  -6.972
   39    HA   HYP   6           HA       HYP   6  -5.280   1.761  -2.750
   40   1HB   HYP   6          HB1       HYP   6  -7.565   1.580  -1.896
   41   2HB   HYP   6          HB2       HYP   6  -8.193   2.536  -3.292
   42   1HD   HYP   6          HD1       HYP   6  -7.084   4.974  -3.723
   43   2HD   HYP   6          HD2       HYP   6  -5.638   5.267  -2.656
   44    HOD  HYP   6           HOD      HYP   6  -6.183   2.677  -0.514
   45    HG   HYP   6           HG       HYP   6  -7.914   4.263  -1.502
   46    H    TYR   7           HN       TYR   7  -5.501  -0.389  -3.478
   47    HA   TYR   7           HA       TYR   7  -5.224  -1.883  -4.882
   48   1HB   TYR   7          HB2       TYR   7  -7.750  -0.807  -6.255
   49   2HB   TYR   7          HB1       TYR   7  -6.985  -2.404  -6.626
   50    HD1  TYR   7           HD1      TYR   7  -6.448  -3.910  -4.433
   51    HD2  TYR   7           HD2      TYR   7  -9.428  -0.819  -4.643
   52    HE1  TYR   7           HE1      TYR   7  -7.592  -4.881  -2.486
   53    HE2  TYR   7           HE2      TYR   7 -10.578  -1.786  -2.706
   54    HH   TYR   7           HH       TYR   7 -10.664  -3.531  -1.214
   55    H    GLY   8           HN       GLY   8  -3.730   0.583  -5.353
   56   1HA   GLY   8          HA2       GLY   8  -2.883  -0.120  -8.071
   57   2HA   GLY   8          HA1       GLY   8  -2.597   1.474  -7.226
   58    H    PHE   9           HN       PHE   9  -0.227   0.117  -7.921
   59    HA   PHE   9           HA       PHE   9   0.317  -1.924  -6.009
   60   1HB   PHE   9          HB2       PHE   9   2.693  -1.818  -7.260
   61   2HB   PHE   9          HB1       PHE   9   1.245  -2.585  -7.996
   62    HD1  PHE   9           HD1      PHE   9   0.245  -1.723  -9.948
   63    HD2  PHE   9           HD2      PHE   9   3.246   0.599  -7.916
   64    HE1  PHE   9           HE1      PHE   9   0.260  -0.106 -11.829
   65    HE2  PHE   9           HE2      PHE   9   3.292   2.186  -9.812
   66    HZ   PHE   9           HZ       PHE   9   1.803   1.848 -11.769
   67    H    CYS  10           HN       CYS  10   1.525  -1.887  -4.240
   68    HA   CYS  10           HA       CYS  10   3.067   0.542  -3.572
   69   1HB   CYS  10          HB2       CYS  10   2.533  -0.051  -1.133
   70   2HB   CYS  10          HB1       CYS  10   1.147   0.519  -2.092
   71    H    SER  11           HN       SER  11   3.387  -2.394  -4.849
   72    HA   SER  11           HA       SER  11   5.067  -3.748  -3.009
   73   1HB   SER  11          HB2       SER  11   5.453  -4.888  -5.547
   74   2HB   SER  11          HB1       SER  11   4.139  -5.354  -4.418
   75    HG   SER  11           HG       SER  11   2.729  -4.103  -5.457
   76    H    LEU  12           HN       LEU  12   5.376  -1.100  -5.195
   77    HA   LEU  12           HA       LEU  12   8.127  -0.909  -4.596
   78   1HB   LEU  12          HB2       LEU  12   6.827  -0.503  -7.396
   79   2HB   LEU  12          HB1       LEU  12   8.457   0.126  -6.965
   80    HG   LEU  12           HG       LEU  12   7.706  -2.864  -6.928
   81   1HD1  LEU  12          HD11      LEU  12   8.961  -1.271  -9.256
   82   2HD1  LEU  12          HD12      LEU  12   7.325  -2.020  -9.202
   83   3HD1  LEU  12          HD13      LEU  12   8.786  -3.062  -9.164
   84   1HD2  LEU  12          HD21      LEU  12  10.459  -1.458  -6.982
   85   2HD2  LEU  12          HD22      LEU  12  10.163  -3.236  -7.046
   86   3HD2  LEU  12          HD23      LEU  12   9.716  -2.313  -5.578
   87    HA   PRO  13           HA       PRO  13   9.178   1.519  -4.682
   88   1HB   PRO  13          HB2       PRO  13   8.301   3.437  -2.462
   89   2HB   PRO  13          HB1       PRO  13   9.514   3.734  -3.773
   90   1HG   PRO  13          HG1       PRO  13   6.996   4.875  -3.820
   91   2HG   PRO  13          HG2       PRO  13   7.756   4.273  -5.346
   92   1HD   PRO  13          HD1       PRO  13   5.667   2.834  -3.597
   93   2HD   PRO  13          HD2       PRO  13   5.755   2.993  -5.406
   94    H    ILE  14           HN       ILE  14  10.666   0.733  -2.913
   95    HA   ILE  14           HA       ILE  14   9.408   0.105  -0.421
   96    HB   ILE  14           HB       ILE  14  10.990  -2.007  -0.467
   97   1HG1  ILE  14          HG12      ILE  14  10.278  -1.806  -3.478
   98   2HG1  ILE  14          HG11      ILE  14  11.910  -1.480  -2.810
   99   1HG2  ILE  14          HG21      ILE  14   8.260  -1.992  -1.931
  100   2HG2  ILE  14          HG22      ILE  14   8.507  -1.975  -0.145
  101   3HG2  ILE  14          HG23      ILE  14   9.018  -3.401  -1.101
  102   1HD1  ILE  14          HD11      ILE  14  12.080  -3.832  -1.982
  103   2HD1  ILE  14          HD12      ILE  14  11.732  -3.793  -3.756
  104   3HD1  ILE  14          HD13      ILE  14  10.412  -4.178  -2.604
  105    H    LEU  15           HN       LEU  15  10.945   0.666   1.120
  106    HA   LEU  15           HA       LEU  15  13.612   1.351   0.674
  107   1HB   LEU  15          HB2       LEU  15  11.487   3.658   0.683
  108   2HB   LEU  15          HB1       LEU  15  13.142   3.882   1.344
  109    HG   LEU  15           HG       LEU  15  12.489   3.175  -1.570
  110   1HD1  LEU  15          HD11      LEU  15  11.596   5.388  -1.063
  111   2HD1  LEU  15          HD12      LEU  15  13.092   5.561  -2.045
  112   3HD1  LEU  15          HD13      LEU  15  13.140   5.885  -0.272
  113   1HD2  LEU  15          HD21      LEU  15  15.133   3.957  -0.171
  114   2HD2  LEU  15          HD22      LEU  15  14.905   3.849  -1.957
  115   3HD2  LEU  15          HD23      LEU  15  14.738   2.378  -0.951
  116    H    LYS  16           HN       LYS  16  10.674   2.641   1.980
  117    HA   LYS  16           HA       LYS  16  10.827   1.097   4.437
  118   1HB   LYS  16          HB2       LYS  16   9.074   3.105   5.144
  119   2HB   LYS  16          HB1       LYS  16  10.813   3.183   5.525
  120   1HG   LYS  16          HG2       LYS  16  11.288   4.493   3.453
  121   2HG   LYS  16          HG1       LYS  16   9.526   4.577   3.108
  122   1HD   LYS  16          HD2       LYS  16  11.110   5.785   5.462
  123   2HD   LYS  16          HD1       LYS  16  10.341   6.648   4.097
  124   1HE   LYS  16          HE2       LYS  16   8.902   5.191   6.419
  125   2HE   LYS  16          HE1       LYS  16   8.961   6.968   6.096
  126   1HZ   LYS  16          HZ1       LYS  16   6.939   5.869   5.387
  127   2HZ   LYS  16          HZ2       LYS  16   7.759   5.006   4.275
  128   3HZ   LYS  16          HZ3       LYS  16   7.700   6.625   4.163
  129    H    ASN  17           HN       ASN  17   8.046   3.047   3.158
  130    HA   ASN  17           HA       ASN  17   7.691   1.422   0.949
  131   1HB   ASN  17          HB2       ASN  17   6.610  -0.050   2.892
  132   2HB   ASN  17          HB1       ASN  17   5.459   1.298   3.125
  133   1HD2  ASN  17          HD21      ASN  17   6.711   0.066  -0.139
  134   2HD2  ASN  17          HD22      ASN  17   5.229  -0.631  -0.614
  135    H    GLY  18           HN       GLY  18   5.450   2.539  -0.023
  136   1HA   GLY  18          HA2       GLY  18   5.381   5.303   1.001
  137   2HA   GLY  18          HA1       GLY  18   5.099   4.759  -0.722
  138    H    LEU  19           HN       LEU  19   3.176   6.095   1.351
  139    HA   LEU  19           HA       LEU  19   1.687   3.812   2.279
  140   1HB   LEU  19          HB2       LEU  19   1.578   6.801   2.917
  141   2HB   LEU  19          HB1       LEU  19   0.419   5.629   3.618
  142    HG   LEU  19           HG       LEU  19   3.440   5.191   3.842
  143   1HD1  LEU  19          HD11      LEU  19   1.739   6.810   5.840
  144   2HD1  LEU  19          HD12      LEU  19   3.064   7.444   4.786
  145   3HD1  LEU  19          HD13      LEU  19   3.440   6.245   6.074
  146   1HD2  LEU  19          HD21      LEU  19   1.116   4.235   5.637
  147   2HD2  LEU  19          HD22      LEU  19   2.865   3.817   5.801
  148   3HD2  LEU  19          HD23      LEU  19   1.937   3.245   4.372
  149    H    CYS  20           HN       CYS  20  -0.362   3.350   1.945
  150    HA   CYS  20           HA       CYS  20  -1.629   4.377  -0.431
  151   1HB   CYS  20          HB2       CYS  20  -2.489   2.186   1.582
  152   2HB   CYS  20          HB1       CYS  20  -3.202   2.474  -0.034
  153    H    CYS  21           HN       CYS  21  -3.860   5.252  -0.283
  154    HA   CYS  21           HA       CYS  21  -4.250   6.847   2.058
  155   1HB   CYS  21          HB2       CYS  21  -6.056   6.197  -0.341
  156   2HB   CYS  21          HB1       CYS  21  -6.696   7.111   1.065
  157    H    SER  22           HN       SER  22  -5.507   3.697   1.010
  158    HA   SER  22           HA       SER  22  -7.344   3.512   3.189
  159   1HB   SER  22          HB2       SER  22  -7.572   1.101   2.237
  160   2HB   SER  22          HB1       SER  22  -7.999   2.441   1.118
  161    HG   SER  22           HG       SER  22  -5.807   0.720   1.171
  162    H    GLY  23           HN       GLY  23  -3.964   3.231   3.025
  163   1HA   GLY  23          HA2       GLY  23  -2.846   2.942   4.980
  164   2HA   GLY  23          HA1       GLY  23  -4.049   1.729   5.541
  165    H    ALA  24           HN       ALA  24  -4.103  -0.317   4.009
  166    HA   ALA  24           HA       ALA  24  -1.429  -1.232   4.687
  167   1HB   ALA  24          HB1       ALA  24  -3.929  -2.918   4.086
  168   2HB   ALA  24          HB2       ALA  24  -3.416  -2.374   5.726
  169   3HB   ALA  24          HB3       ALA  24  -2.379  -3.509   4.790
  170    H    CYS  25           HN       CYS  25  -0.274  -2.844   3.438
  171    HA   CYS  25           HA       CYS  25  -0.760  -2.536   0.550
  172   1HB   CYS  25          HB2       CYS  25   1.351  -1.393   1.420
  173   2HB   CYS  25          HB1       CYS  25   1.891  -2.958   2.090
  174    H    VAL  26           HN       VAL  26  -1.101  -4.488  -0.561
  175    HA   VAL  26           HA       VAL  26   0.033  -6.878   0.683
  176    HB   VAL  26           HB       VAL  26  -2.297  -6.805   1.376
  177   1HG1  VAL  26          HG11      VAL  26  -4.158  -6.957  -0.276
  178   2HG1  VAL  26          HG12      VAL  26  -2.995  -6.724  -1.624
  179   3HG1  VAL  26          HG13      VAL  26  -3.270  -5.403  -0.431
  180   1HG2  VAL  26          HG21      VAL  26  -2.839  -9.102   0.724
  181   2HG2  VAL  26          HG22      VAL  26  -1.045  -8.942   0.876
  182   3HG2  VAL  26          HG23      VAL  26  -1.815  -8.976  -0.755
  183    H    GLY  27           HN       GLY  27   1.043  -4.987  -1.175
  184   1HA   GLY  27          HA2       GLY  27   2.418  -5.424  -2.959
  185   2HA   GLY  27          HA1       GLY  27   1.264  -6.677  -3.578
  186    H    VAL  28           HN       VAL  28  -1.088  -5.430  -3.245
  187    HA   VAL  28           HA       VAL  28  -1.077  -2.954  -4.786
  188    HB   VAL  28           HB       VAL  28  -3.564  -3.435  -5.089
  189   1HG1  VAL  28          HG11      VAL  28  -1.947  -3.623  -6.944
  190   2HG1  VAL  28          HG12      VAL  28  -3.180  -4.930  -7.057
  191   3HG1  VAL  28          HG13      VAL  28  -1.521  -5.309  -6.452
  192   1HG2  VAL  28          HG21      VAL  28  -2.720  -6.313  -4.276
  193   2HG2  VAL  28          HG22      VAL  28  -4.313  -5.815  -4.928
  194   3HG2  VAL  28          HG23      VAL  28  -3.789  -5.226  -3.315
  195    H    CYS  29           HN       CYS  29  -2.429  -1.330  -3.791
  196    HA   CYS  29           HA       CYS  29  -2.223  -1.320  -0.935
  197   1HB   CYS  29          HB2       CYS  29  -3.521   0.500  -3.053
  198   2HB   CYS  29          HB1       CYS  29  -3.716   0.856  -1.307
  199    H    ALA  30           HN       ALA  30  -3.885  -1.708   0.644
  200    HA   ALA  30           HA       ALA  30  -6.621  -1.836  -0.325
  201   1HB   ALA  30          HB1       ALA  30  -5.248  -4.282   0.993
  202   2HB   ALA  30          HB2       ALA  30  -5.789  -4.190  -0.719
  203   3HB   ALA  30          HB3       ALA  30  -7.012  -4.149   0.592
  204    H    ASP  31           HN       ASP  31  -7.102  -3.388   2.437
  205    HA   ASP  31           HA       ASP  31  -6.106  -1.561   4.330
  206   1HB   ASP  31          HB2       ASP  31  -8.389  -1.189   5.371
  207   2HB   ASP  31          HB1       ASP  31  -8.201  -0.251   3.855
  208    H    LEU  32           HN       LEU  32  -6.556  -2.852   6.463
  209    HA   LEU  32           HA       LEU  32  -7.788  -5.322   6.267
  210   1HB   LEU  32          HB2       LEU  32  -4.763  -5.126   7.016
  211   2HB   LEU  32          HB1       LEU  32  -5.797  -6.562   7.329
  212    HG   LEU  32           HG       LEU  32  -5.143  -5.488   4.525
  213   1HD1  LEU  32          HD11      LEU  32  -3.418  -7.162   4.281
  214   2HD1  LEU  32          HD12      LEU  32  -3.760  -7.854   5.916
  215   3HD1  LEU  32          HD13      LEU  32  -3.050  -6.206   5.771
  216   1HD2  LEU  32          HD21      LEU  32  -5.858  -7.711   3.706
  217   2HD2  LEU  32          HD22      LEU  32  -7.197  -6.926   4.616
  218   3HD2  LEU  32          HD23      LEU  32  -6.235  -8.253   5.377
  219   1HN   NH2  33          H1        NH2  33  -7.649  -4.354   9.838
  220   2HN   NH2  33          H2        NH2  33  -7.932  -5.723   8.809
  Start of MODEL   18
    1   1H    ASP   1          HT1       ASP   1   5.956  12.506   0.419
    2   2H    ASP   1          HT2       ASP   1   5.124  12.499  -0.976
    3   3H    ASP   1          HT3       ASP   1   4.677  11.526   0.247
    4    HA   ASP   1           HA       ASP   1   3.920  13.307   1.565
    5   1HB   ASP   1          HB2       ASP   1   5.021  15.053  -0.764
    6   2HB   ASP   1          HB1       ASP   1   4.036  15.700   0.596
    7    H    ASP   2           HN       ASP   2   2.455  11.393   0.274
    8    HA   ASP   2           HA       ASP   2   0.460  12.492  -1.248
    9   1HB   ASP   2          HB2       ASP   2   2.652  10.788  -2.683
   10   2HB   ASP   2          HB1       ASP   2   0.967  10.945  -3.307
   11    H    CYS   3           HN       CYS   3  -0.083   9.667  -2.238
   12    HA   CYS   3           HA       CYS   3   0.600   7.972  -0.076
   13   1HB   CYS   3          HB2       CYS   3  -1.729   7.189   0.319
   14   2HB   CYS   3          HB1       CYS   3  -1.597   8.895   0.817
   15    H    ILE   4           HN       ILE   4  -0.317   5.765  -0.934
   16    HA   ILE   4           HA       ILE   4  -0.129   5.800  -3.854
   17    HB   ILE   4           HB       ILE   4   0.077   3.391  -2.000
   18   1HG1  ILE   4          HG12      ILE   4   2.345   5.140  -3.149
   19   2HG1  ILE   4          HG11      ILE   4   1.846   5.110  -1.426
   20   1HG2  ILE   4          HG21      ILE   4   1.276   2.475  -4.101
   21   2HG2  ILE   4          HG22      ILE   4   0.797   3.968  -4.962
   22   3HG2  ILE   4          HG23      ILE   4  -0.457   2.815  -4.363
   23   1HD1  ILE   4          HD11      ILE   4   2.412   2.670  -1.278
   24   2HD1  ILE   4          HD12      ILE   4   3.818   3.740  -1.620
   25   3HD1  ILE   4          HD13      ILE   4   3.113   2.755  -2.947
   26    H    LYS   5           HN       LYS   5  -1.743   4.406  -5.007
   27    HA   LYS   5           HA       LYS   5  -4.168   5.647  -4.251
   28   1HB   LYS   5          HB2       LYS   5  -3.044   5.569  -6.580
   29   2HB   LYS   5          HB1       LYS   5  -3.602   3.869  -6.704
   30   1HG   LYS   5          HG2       LYS   5  -6.018   4.753  -6.532
   31   2HG   LYS   5          HG1       LYS   5  -5.337   6.409  -6.425
   32   1HD   LYS   5          HD2       LYS   5  -5.594   6.443  -8.689
   33   2HD   LYS   5          HD1       LYS   5  -4.048   5.544  -8.694
   34   1HE   LYS   5          HE2       LYS   5  -6.917   4.516  -9.144
   35   2HE   LYS   5          HE1       LYS   5  -5.453   4.317 -10.183
   36   1HZ   LYS   5          HZ1       LYS   5  -4.655   2.975  -8.154
   37   2HZ   LYS   5          HZ2       LYS   5  -5.684   2.302  -9.224
   38   3HZ   LYS   5          HZ3       LYS   5  -6.236   2.851  -7.796
   39    HA   HYP   6           HA       HYP   6  -5.997   1.946  -2.679
   40   1HB   HYP   6          HB1       HYP   6  -8.358   2.242  -2.300
   41   2HB   HYP   6          HB2       HYP   6  -8.609   2.918  -3.958
   42   1HD   HYP   6          HD1       HYP   6  -7.029   5.182  -4.513
   43   2HD   HYP   6          HD2       HYP   6  -5.955   5.592  -3.110
   44    HOD  HYP   6           HOD      HYP   6  -7.582   4.821  -0.793
   45    HG   HYP   6           HG       HYP   6  -8.580   4.959  -2.599
   46    H    TYR   7           HN       TYR   7  -5.898  -0.138  -3.514
   47    HA   TYR   7           HA       TYR   7  -5.406  -1.619  -4.888
   48   1HB   TYR   7          HB2       TYR   7  -8.048  -0.946  -6.267
   49   2HB   TYR   7          HB1       TYR   7  -7.069  -2.444  -6.548
   50    HD1  TYR   7           HD1      TYR   7  -6.688  -4.065  -4.731
   51    HD2  TYR   7           HD2      TYR   7  -9.244  -0.664  -4.119
   52    HE1  TYR   7           HE1      TYR   7  -7.490  -5.053  -2.625
   53    HE2  TYR   7           HE2      TYR   7 -10.048  -1.640  -2.010
   54    HH   TYR   7           HH       TYR   7  -9.771  -3.320  -0.479
   55    H    GLY   8           HN       GLY   8  -4.138   0.898  -5.389
   56   1HA   GLY   8          HA2       GLY   8  -3.259   0.346  -8.131
   57   2HA   GLY   8          HA1       GLY   8  -2.665   1.604  -6.952
   58    H    PHE   9           HN       PHE   9  -0.706  -0.034  -8.089
   59    HA   PHE   9           HA       PHE   9  -0.285  -2.288  -6.316
   60   1HB   PHE   9          HB2       PHE   9   1.335  -1.099  -8.667
   61   2HB   PHE   9          HB1       PHE   9   2.000  -2.374  -7.577
   62    HD1  PHE   9           HD1      PHE   9  -0.782  -1.656 -10.013
   63    HD2  PHE   9           HD2      PHE   9   1.288  -4.613  -7.680
   64    HE1  PHE   9           HE1      PHE   9  -2.075  -3.443 -11.128
   65    HE2  PHE   9           HE2      PHE   9   0.007  -6.396  -8.795
   66    HZ   PHE   9           HZ       PHE   9  -1.701  -5.816 -10.510
   67    H    CYS  10           HN       CYS  10   1.588  -2.314  -4.761
   68    HA   CYS  10           HA       CYS  10   2.874   0.207  -4.434
   69   1HB   CYS  10          HB2       CYS  10   2.413   0.539  -2.053
   70   2HB   CYS  10          HB1       CYS  10   0.900   0.673  -2.984
   71    H    SER  11           HN       SER  11   4.496  -0.125  -2.606
   72    HA   SER  11           HA       SER  11   5.247  -2.409  -1.500
   73   1HB   SER  11          HB2       SER  11   7.572  -2.378  -3.020
   74   2HB   SER  11          HB1       SER  11   6.237  -3.560  -3.294
   75    HG   SER  11           HG       SER  11   5.395  -2.279  -4.826
   76    H    LEU  12           HN       LEU  12   7.933  -1.334  -0.946
   77    HA   LEU  12           HA       LEU  12   7.574   1.479  -0.717
   78   1HB   LEU  12          HB2       LEU  12   7.655  -0.465   1.727
   79   2HB   LEU  12          HB1       LEU  12   7.939   1.293   1.862
   80    HG   LEU  12           HG       LEU  12   5.286  -0.013   1.033
   81   1HD1  LEU  12          HD11      LEU  12   4.479   0.709   3.279
   82   2HD1  LEU  12          HD12      LEU  12   6.134   1.280   3.708
   83   3HD1  LEU  12          HD13      LEU  12   5.825  -0.473   3.405
   84   1HD2  LEU  12          HD21      LEU  12   5.515   2.267   0.032
   85   2HD2  LEU  12          HD22      LEU  12   5.967   2.952   1.634
   86   3HD2  LEU  12          HD23      LEU  12   4.318   2.285   1.368
   87    HA   PRO  13           HA       PRO  13   9.171   2.713   1.003
   88   1HB   PRO  13          HB2       PRO  13  11.613   4.040   0.521
   89   2HB   PRO  13          HB1       PRO  13  11.275   3.020   1.957
   90   1HG   PRO  13          HG1       PRO  13  12.895   2.269  -0.490
   91   2HG   PRO  13          HG2       PRO  13  13.134   1.806   1.237
   92   1HD   PRO  13          HD1       PRO  13  11.899   0.158  -0.716
   93   2HD   PRO  13          HD2       PRO  13  11.607   0.012   1.072
   94    H    ILE  14           HN       ILE  14  11.319   2.507  -1.726
   95    HA   ILE  14           HA       ILE  14  11.251   3.088  -3.813
   96    HB   ILE  14           HB       ILE  14   8.492   4.313  -3.530
   97   1HG1  ILE  14          HG12      ILE  14   9.380   1.616  -4.741
   98   2HG1  ILE  14          HG11      ILE  14   8.577   1.814  -3.148
   99   1HG2  ILE  14          HG21      ILE  14   9.833   5.350  -5.384
  100   2HG2  ILE  14          HG22      ILE  14   8.577   4.279  -6.072
  101   3HG2  ILE  14          HG23      ILE  14  10.285   3.713  -5.995
  102   1HD1  ILE  14          HD11      ILE  14   6.559   2.809  -4.274
  103   2HD1  ILE  14          HD12      ILE  14   6.915   1.129  -4.814
  104   3HD1  ILE  14          HD13      ILE  14   7.325   2.512  -5.883
  105    H    LEU  15           HN       LEU  15   9.450   5.958  -2.496
  106    HA   LEU  15           HA       LEU  15  11.817   7.354  -1.957
  107   1HB   LEU  15          HB2       LEU  15   9.868   8.364  -4.175
  108   2HB   LEU  15          HB1       LEU  15  10.853   9.469  -3.171
  109    HG   LEU  15           HG       LEU  15  11.924   9.384  -5.215
  110   1HD1  LEU  15          HD11      LEU  15  13.576   7.460  -3.454
  111   2HD1  LEU  15          HD12      LEU  15  13.466   9.250  -3.243
  112   3HD1  LEU  15          HD13      LEU  15  14.179   8.556  -4.741
  113   1HD2  LEU  15          HD21      LEU  15  12.026   6.308  -5.264
  114   2HD2  LEU  15          HD22      LEU  15  12.660   7.448  -6.488
  115   3HD2  LEU  15          HD23      LEU  15  10.889   7.350  -6.205
  116    H    LYS  16           HN       LYS  16  10.539   9.566  -0.991
  117    HA   LYS  16           HA       LYS  16   8.843   8.270   0.890
  118   1HB   LYS  16          HB2       LYS  16   9.653  11.215   0.639
  119   2HB   LYS  16          HB1       LYS  16   8.794  10.476   2.037
  120   1HG   LYS  16          HG2       LYS  16  10.708   8.875   2.348
  121   2HG   LYS  16          HG1       LYS  16  11.635   9.720   1.064
  122   1HD   LYS  16          HD2       LYS  16  10.567  11.067   3.634
  123   2HD   LYS  16          HD1       LYS  16  12.202  10.351   3.485
  124   1HE   LYS  16          HE2       LYS  16  11.162  12.648   1.684
  125   2HE   LYS  16          HE1       LYS  16  12.179  12.864   3.165
  126   1HZ   LYS  16          HZ1       LYS  16  13.503  12.822   1.218
  127   2HZ   LYS  16          HZ2       LYS  16  12.942  11.365   0.759
  128   3HZ   LYS  16          HZ3       LYS  16  13.841  11.504   2.108
  129    H    ASN  17           HN       ASN  17   7.250   7.668  -0.769
  130    HA   ASN  17           HA       ASN  17   5.392   9.629  -1.718
  131   1HB   ASN  17          HB2       ASN  17   5.083   6.551  -1.521
  132   2HB   ASN  17          HB1       ASN  17   3.917   7.673  -2.318
  133   1HD2  ASN  17          HD21      ASN  17   6.615   5.673  -2.924
  134   2HD2  ASN  17          HD22      ASN  17   7.188   6.439  -4.379
  135    H    GLY  18           HN       GLY  18   4.300   6.751   0.231
  136   1HA   GLY  18          HA2       GLY  18   4.083   7.818   2.597
  137   2HA   GLY  18          HA1       GLY  18   2.524   8.264   1.713
  138    H    LEU  19           HN       LEU  19   1.511   6.453   3.102
  139    HA   LEU  19           HA       LEU  19   2.251   3.762   2.236
  140   1HB   LEU  19          HB2       LEU  19   0.083   4.742   4.203
  141   2HB   LEU  19          HB1       LEU  19   0.549   3.028   3.946
  142    HG   LEU  19           HG       LEU  19   2.469   5.172   5.043
  143   1HD1  LEU  19          HD11      LEU  19   0.748   3.132   6.589
  144   2HD1  LEU  19          HD12      LEU  19   0.528   4.923   6.566
  145   3HD1  LEU  19          HD13      LEU  19   2.013   4.210   7.294
  146   1HD2  LEU  19          HD21      LEU  19   2.647   2.086   5.057
  147   2HD2  LEU  19          HD22      LEU  19   3.807   3.222   5.830
  148   3HD2  LEU  19          HD23      LEU  19   3.644   3.197   4.043
  149    H    CYS  20           HN       CYS  20  -0.707   2.959   2.453
  150    HA   CYS  20           HA       CYS  20  -1.443   4.014  -0.178
  151   1HB   CYS  20          HB2       CYS  20  -2.641   1.797   1.572
  152   2HB   CYS  20          HB1       CYS  20  -3.327   2.338   0.008
  153    H    CYS  21           HN       CYS  21  -3.497   5.096  -0.432
  154    HA   CYS  21           HA       CYS  21  -4.208   6.635   1.862
  155   1HB   CYS  21          HB2       CYS  21  -5.194   6.491  -0.987
  156   2HB   CYS  21          HB1       CYS  21  -6.380   7.048   0.229
  157    H    SER  22           HN       SER  22  -5.304   3.475   0.662
  158    HA   SER  22           HA       SER  22  -7.603   3.483   2.380
  159   1HB   SER  22          HB2       SER  22  -7.737   1.085   1.494
  160   2HB   SER  22          HB1       SER  22  -7.749   2.340   0.215
  161    HG   SER  22           HG       SER  22  -5.863   0.434   0.889
  162    H    GLY  23           HN       GLY  23  -4.308   3.334   2.984
  163   1HA   GLY  23          HA2       GLY  23  -3.513   3.021   5.051
  164   2HA   GLY  23          HA1       GLY  23  -4.778   1.787   5.412
  165    H    ALA  24           HN       ALA  24  -4.635  -0.243   4.065
  166    HA   ALA  24           HA       ALA  24  -2.058  -1.231   4.785
  167   1HB   ALA  24          HB1       ALA  24  -4.485  -2.714   3.591
  168   2HB   ALA  24          HB2       ALA  24  -4.155  -2.510   5.353
  169   3HB   ALA  24          HB3       ALA  24  -3.046  -3.499   4.346
  170    H    CYS  25           HN       CYS  25  -0.641  -2.630   3.379
  171    HA   CYS  25           HA       CYS  25  -0.868  -2.100   0.572
  172   1HB   CYS  25          HB2       CYS  25   0.538  -0.157   1.484
  173   2HB   CYS  25          HB1       CYS  25   1.523  -1.328   2.404
  174    H    VAL  26           HN       VAL  26   0.394  -3.811  -0.413
  175    HA   VAL  26           HA       VAL  26   1.940  -5.645   0.885
  176    HB   VAL  26           HB       VAL  26  -0.100  -6.689   1.721
  177   1HG1  VAL  26          HG11      VAL  26  -1.226  -6.560  -1.160
  178   2HG1  VAL  26          HG12      VAL  26  -1.789  -5.625   0.275
  179   3HG1  VAL  26          HG13      VAL  26  -1.969  -7.411   0.241
  180   1HG2  VAL  26          HG21      VAL  26   1.757  -8.154   0.756
  181   2HG2  VAL  26          HG22      VAL  26   0.736  -8.381  -0.714
  182   3HG2  VAL  26          HG23      VAL  26   0.135  -8.912   0.884
  183    H    GLY  27           HN       GLY  27   1.016  -7.156  -1.952
  184   1HA   GLY  27          HA2       GLY  27   2.607  -5.348  -3.479
  185   2HA   GLY  27          HA1       GLY  27   1.701  -6.796  -4.056
  186    H    VAL  28           HN       VAL  28  -0.506  -4.913  -2.459
  187    HA   VAL  28           HA       VAL  28  -1.240  -3.266  -4.687
  188    HB   VAL  28           HB       VAL  28  -3.671  -4.000  -4.495
  189   1HG1  VAL  28          HG11      VAL  28  -2.272  -4.549  -6.493
  190   2HG1  VAL  28          HG12      VAL  28  -3.441  -5.873  -6.127
  191   3HG1  VAL  28          HG13      VAL  28  -1.707  -6.069  -5.701
  192   1HG2  VAL  28          HG21      VAL  28  -2.468  -6.566  -3.222
  193   2HG2  VAL  28          HG22      VAL  28  -4.171  -6.311  -3.731
  194   3HG2  VAL  28          HG23      VAL  28  -3.508  -5.354  -2.370
  195    H    CYS  29           HN       CYS  29  -2.524  -1.546  -3.774
  196    HA   CYS  29           HA       CYS  29  -2.417  -1.271  -0.894
  197   1HB   CYS  29          HB2       CYS  29  -3.834   0.302  -3.137
  198   2HB   CYS  29          HB1       CYS  29  -4.040   0.717  -1.407
  199    H    ALA  30           HN       ALA  30  -4.090  -1.738   0.546
  200    HA   ALA  30           HA       ALA  30  -6.580  -2.726  -0.654
  201   1HB   ALA  30          HB1       ALA  30  -6.508  -4.781   0.783
  202   2HB   ALA  30          HB2       ALA  30  -4.896  -4.279   1.436
  203   3HB   ALA  30          HB3       ALA  30  -5.075  -4.763  -0.293
  204    H    ASP  31           HN       ASP  31  -7.869  -3.487   1.657
  205    HA   ASP  31           HA       ASP  31  -7.330  -1.856   3.828
  206   1HB   ASP  31          HB2       ASP  31  -9.724  -0.926   3.953
  207   2HB   ASP  31          HB1       ASP  31  -8.726  -0.071   2.755
  208    H    LEU  32           HN       LEU  32  -9.416  -2.711   5.326
  209    HA   LEU  32           HA       LEU  32 -10.546  -5.097   4.345
  210   1HB   LEU  32          HB2       LEU  32  -8.980  -4.834   7.028
  211   2HB   LEU  32          HB1       LEU  32 -10.160  -6.142   6.684
  212    HG   LEU  32           HG       LEU  32  -7.490  -5.680   5.213
  213   1HD1  LEU  32          HD11      LEU  32  -8.226  -7.833   7.300
  214   2HD1  LEU  32          HD12      LEU  32  -7.133  -6.423   7.561
  215   3HD1  LEU  32          HD13      LEU  32  -6.676  -7.708   6.390
  216   1HD2  LEU  32          HD21      LEU  32  -7.825  -7.952   4.234
  217   2HD2  LEU  32          HD22      LEU  32  -9.084  -6.798   3.688
  218   3HD2  LEU  32          HD23      LEU  32  -9.479  -8.033   4.951
  219   1HN   NH2  33          H1        NH2  33 -12.700  -4.831   5.510
  220   2HN   NH2  33          H2        NH2  33 -13.027  -3.369   6.381