*HEADER    TOXIN                                   13-OCT-00   1G1P              
*TITLE     NMR STRUCTURES OF THE NOVEL CONOTOXIN EVIA FROM CONUS                 
*TITLE    2 ERMINEUS SPECIFIC OF THE MU1 SODIUM CHANNEL RECEPTOR, LEU12-         
*TITLE    3 PRO13 TRANS 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 CIS ISOMER (1G1Z).                                       
*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 1G1P    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 hd*)   2.4  0.6  1.9 ! Leu12-Pro13 trans
assign (resid  12 and name hb*) (resid  13 and name hd*)   2.9  1.1  4.1 ! Leu12-Pro13 trans

assign (resid  12 and name hn)  (resid  14 and name hn)    2.9  1.1  3.4
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 ha)  (resid  14 and name hn)    2.4  0.6  1.2
assign (resid  13 and name ha)  (resid  14 and name ha)    2.9  1.1  3.1 ! Leu12-Pro13 trans
assign (resid  13 and name hb2) (resid  14 and name hn)    2.9  1.1  3.4 ! Leu12-Pro13 trans
assign (resid  13 and name hg1) (resid  14 and name hn)    2.9  1.1  3.4 ! Leu12-Pro13 trans

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*)  2.4  0.6  2.2 ! Leu12-Pro13 trans

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

assign (resid  14 and name hn)  (resid  16 and name hn)    2.9  1.1  2.4 ! Leu12-Pro13 trans

remarks   NOE restraints for Leu15 residue
assign (resid  15 and name hn)  (resid  15 and name hb*)   2.9  1.1  3.4 ! Leu12-Pro13 trans
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  3.4 ! Leu12-Pro13 trans
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   6.536  13.391   0.807
    2   2H    ASP   1          HT2       ASP   1   5.542  13.700  -0.461
    3   3H    ASP   1          HT3       ASP   1   6.334  12.288  -0.385
    4    HA   ASP   1           HA       ASP   1   5.021  11.464   1.291
    5   1HB   ASP   1          HB2       ASP   1   4.985  13.641   2.650
    6   2HB   ASP   1          HB1       ASP   1   3.809  14.324   1.471
    7    H    ASP   2           HN       ASP   2   2.785  10.569   0.658
    8    HA   ASP   2           HA       ASP   2   1.285  11.397  -1.395
    9   1HB   ASP   2          HB2       ASP   2   2.039   9.621  -3.132
   10   2HB   ASP   2          HB1       ASP   2   3.107  11.051  -3.059
   11    H    CYS   3           HN       CYS   3   0.550   8.575  -2.004
   12    HA   CYS   3           HA       CYS   3   1.124   7.027   0.234
   13   1HB   CYS   3          HB2       CYS   3  -1.244   6.373   0.726
   14   2HB   CYS   3          HB1       CYS   3  -0.956   8.066   1.214
   15    H    ILE   4           HN       ILE   4   0.016   4.837  -0.557
   16    HA   ILE   4           HA       ILE   4   0.297   4.780  -3.455
   17    HB   ILE   4           HB       ILE   4  -0.041   2.492  -1.468
   18   1HG1  ILE   4          HG12      ILE   4   2.486   3.729  -2.750
   19   2HG1  ILE   4          HG11      ILE   4   2.038   3.778  -1.015
   20   1HG2  ILE   4          HG21      ILE   4   0.756   1.076  -3.362
   21   2HG2  ILE   4          HG22      ILE   4   0.839   2.507  -4.445
   22   3HG2  ILE   4          HG23      ILE   4  -0.748   1.899  -3.822
   23   1HD1  ILE   4          HD11      ILE   4   2.144   1.222  -0.978
   24   2HD1  ILE   4          HD12      ILE   4   3.712   2.067  -1.264
   25   3HD1  ILE   4          HD13      ILE   4   2.851   1.296  -2.641
   26    H    LYS   5           HN       LYS   5  -1.374   3.820  -4.706
   27    HA   LYS   5           HA       LYS   5  -3.779   5.196  -4.195
   28   1HB   LYS   5          HB2       LYS   5  -2.639   5.069  -6.449
   29   2HB   LYS   5          HB1       LYS   5  -2.893   3.290  -6.454
   30   1HG   LYS   5          HG2       LYS   5  -5.393   3.689  -6.514
   31   2HG   LYS   5          HG1       LYS   5  -5.079   5.458  -6.635
   32   1HD   LYS   5          HD2       LYS   5  -3.851   5.088  -8.777
   33   2HD   LYS   5          HD1       LYS   5  -4.031   3.305  -8.583
   34   1HE   LYS   5          HE2       LYS   5  -6.539   3.538  -8.720
   35   2HE   LYS   5          HE1       LYS   5  -6.344   5.319  -9.003
   36   1HZ   LYS   5          HZ1       LYS   5  -6.578   4.090 -11.025
   37   2HZ   LYS   5          HZ2       LYS   5  -5.275   3.171 -10.708
   38   3HZ   LYS   5          HZ3       LYS   5  -5.101   4.768 -10.972
   39    HA   HYP   6           HA       HYP   6  -5.800   1.507  -2.677
   40   1HB   HYP   6          HB1       HYP   6  -8.131   1.978  -2.252
   41   2HB   HYP   6          HB2       HYP   6  -8.322   2.780  -3.858
   42   1HD   HYP   6          HD1       HYP   6  -6.614   4.902  -4.310
   43   2HD   HYP   6          HD2       HYP   6  -5.497   5.211  -2.911
   44    HOD  HYP   6           HOD      HYP   6  -6.749   2.954  -0.889
   45    HG   HYP   6           HG       HYP   6  -8.122   4.724  -2.367
   46    H    TYR   7           HN       TYR   7  -5.932  -0.508  -3.697
   47    HA   TYR   7           HA       TYR   7  -5.886  -1.985  -5.172
   48   1HB   TYR   7          HB2       TYR   7  -7.551  -0.348  -7.134
   49   2HB   TYR   7          HB1       TYR   7  -7.356  -2.144  -7.082
   50    HD1  TYR   7           HD1      TYR   7  -7.801  -2.958  -4.330
   51    HD2  TYR   7           HD2      TYR   7  -9.665   0.279  -6.470
   52    HE1  TYR   7           HE1      TYR   7  -9.675  -2.999  -2.753
   53    HE2  TYR   7           HE2      TYR   7 -11.560   0.229  -4.894
   54    HH   TYR   7           HH       TYR   7 -11.539  -1.829  -1.984
   55    H    GLY   8           HN       GLY   8  -3.892   0.363  -5.197
   56   1HA   GLY   8          HA2       GLY   8  -2.681  -0.275  -7.804
   57   2HA   GLY   8          HA1       GLY   8  -2.218   1.017  -6.611
   58    H    PHE   9           HN       PHE   9  -0.103  -0.651  -7.356
   59    HA   PHE   9           HA       PHE   9  -0.089  -2.997  -5.701
   60   1HB   PHE   9          HB2       PHE   9   2.269  -1.763  -7.271
   61   2HB   PHE   9          HB1       PHE   9   2.160  -3.443  -6.627
   62    HD1  PHE   9           HD1      PHE   9   1.950  -1.569  -9.552
   63    HD2  PHE   9           HD2      PHE   9  -0.114  -4.724  -7.477
   64    HE1  PHE   9           HE1      PHE   9   0.997  -2.355 -11.689
   65    HE2  PHE   9           HE2      PHE   9  -1.078  -5.495  -9.622
   66    HZ   PHE   9           HZ       PHE   9  -0.521  -4.316 -11.731
   67    H    CYS  10           HN       CYS  10   0.876  -3.183  -3.667
   68    HA   CYS  10           HA       CYS  10   2.493  -0.888  -2.739
   69   1HB   CYS  10          HB2       CYS  10   1.543  -1.393  -0.418
   70   2HB   CYS  10          HB1       CYS  10   0.412  -0.683  -1.589
   71    H    SER  11           HN       SER  11   2.781  -3.939  -3.857
   72    HA   SER  11           HA       SER  11   4.183  -5.165  -1.703
   73   1HB   SER  11          HB2       SER  11   4.857  -6.761  -3.637
   74   2HB   SER  11          HB1       SER  11   3.087  -6.590  -3.374
   75    HG   SER  11           HG       SER  11   4.706  -5.279  -5.269
   76    H    LEU  12           HN       LEU  12   5.446  -3.035  -1.377
   77    HA   LEU  12           HA       LEU  12   7.599  -2.697  -3.320
   78   1HB   LEU  12          HB2       LEU  12   6.956  -1.049  -0.833
   79   2HB   LEU  12          HB1       LEU  12   8.241  -0.707  -2.038
   80    HG   LEU  12           HG       LEU  12   5.195  -0.656  -2.483
   81   1HD1  LEU  12          HD11      LEU  12   7.332   1.573  -2.562
   82   2HD1  LEU  12          HD12      LEU  12   6.110   1.297  -1.265
   83   3HD1  LEU  12          HD13      LEU  12   5.576   1.778  -2.913
   84   1HD2  LEU  12          HD21      LEU  12   5.664   0.183  -4.800
   85   2HD2  LEU  12          HD22      LEU  12   6.200  -1.514  -4.583
   86   3HD2  LEU  12          HD23      LEU  12   7.417  -0.179  -4.575
   87    HA   PRO  13           HA       PRO  13   9.845  -5.052  -0.102
   88   1HB   PRO  13          HB2       PRO  13  12.195  -5.566  -1.462
   89   2HB   PRO  13          HB1       PRO  13  10.655  -6.405  -1.883
   90   1HG   PRO  13          HG1       PRO  13  11.879  -3.951  -3.249
   91   2HG   PRO  13          HG2       PRO  13  11.243  -5.462  -4.025
   92   1HD   PRO  13          HD1       PRO  13   9.738  -3.116  -3.734
   93   2HD   PRO  13          HD2       PRO  13   8.966  -4.769  -3.682
   94    H    ILE  14           HN       ILE  14   9.615  -2.684   0.910
   95    HA   ILE  14           HA       ILE  14  12.275  -1.691   1.316
   96    HB   ILE  14           HB       ILE  14   9.801   0.114   0.934
   97   1HG1  ILE  14          HG12      ILE  14  12.166  -0.148  -1.015
   98   2HG1  ILE  14          HG11      ILE  14  10.507  -0.767  -1.293
   99   1HG2  ILE  14          HG21      ILE  14  11.506   0.878   2.631
  100   2HG2  ILE  14          HG22      ILE  14  11.471   1.979   1.219
  101   3HG2  ILE  14          HG23      ILE  14  12.800   0.774   1.376
  102   1HD1  ILE  14          HD11      ILE  14  10.761   1.369  -2.469
  103   2HD1  ILE  14          HD12      ILE  14  11.269   2.205  -0.963
  104   3HD1  ILE  14          HD13      ILE  14   9.586   1.573  -1.117
  105    H    LEU  15           HN       LEU  15  12.160  -1.262   3.693
  106    HA   LEU  15           HA       LEU  15   9.920  -2.738   4.832
  107   1HB   LEU  15          HB2       LEU  15  12.484  -1.684   6.165
  108   2HB   LEU  15          HB1       LEU  15  11.259  -2.758   6.918
  109    HG   LEU  15           HG       LEU  15  13.070  -3.452   4.516
  110   1HD1  LEU  15          HD11      LEU  15  13.184  -4.431   7.438
  111   2HD1  LEU  15          HD12      LEU  15  14.328  -3.279   6.652
  112   3HD1  LEU  15          HD13      LEU  15  14.238  -4.986   6.081
  113   1HD2  LEU  15          HD21      LEU  15  12.251  -5.807   4.816
  114   2HD2  LEU  15          HD22      LEU  15  10.941  -4.694   4.299
  115   3HD2  LEU  15          HD23      LEU  15  11.041  -5.232   6.020
  116    H    LYS  16           HN       LYS  16   8.432  -1.734   6.058
  117    HA   LYS  16           HA       LYS  16   7.198  -0.197   6.997
  118   1HB   LYS  16          HB2       LYS  16   9.642   1.618   7.258
  119   2HB   LYS  16          HB1       LYS  16   8.046   1.872   8.037
  120   1HG   LYS  16          HG2       LYS  16   8.328  -0.251   9.335
  121   2HG   LYS  16          HG1       LYS  16   9.933  -0.514   8.577
  122   1HD   LYS  16          HD2       LYS  16   9.123   1.859  10.379
  123   2HD   LYS  16          HD1       LYS  16  10.093   0.440  10.889
  124   1HE   LYS  16          HE2       LYS  16  10.955   2.571   8.803
  125   2HE   LYS  16          HE1       LYS  16  11.561   2.404  10.493
  126   1HZ   LYS  16          HZ1       LYS  16  13.027   1.419   8.915
  127   2HZ   LYS  16          HZ2       LYS  16  11.877   0.417   8.350
  128   3HZ   LYS  16          HZ3       LYS  16  12.417   0.257   9.878
  129    H    ASN  17           HN       ASN  17   6.527  -0.381   4.526
  130    HA   ASN  17           HA       ASN  17   6.140   2.166   3.585
  131   1HB   ASN  17          HB2       ASN  17   8.591   1.458   2.658
  132   2HB   ASN  17          HB1       ASN  17   7.659   0.353   1.594
  133   1HD2  ASN  17          HD22      ASN  17   9.166   3.268   1.479
  134   2HD2  ASN  17          HD21      ASN  17   8.099   4.170   0.455
  135    H    GLY  18           HN       GLY  18   5.158   1.147   1.124
  136   1HA   GLY  18          HA2       GLY  18   3.556  -0.249   0.304
  137   2HA   GLY  18          HA1       GLY  18   3.592  -1.227   1.828
  138    H    LEU  19           HN       LEU  19   3.346   2.330   1.448
  139    HA   LEU  19           HA       LEU  19   1.345   2.291   3.498
  140   1HB   LEU  19          HB2       LEU  19   2.606   4.726   2.114
  141   2HB   LEU  19          HB1       LEU  19   1.682   4.711   3.653
  142    HG   LEU  19           HG       LEU  19   4.437   3.454   3.096
  143   1HD1  LEU  19          HD11      LEU  19   3.647   5.880   4.832
  144   2HD1  LEU  19          HD12      LEU  19   4.466   5.931   3.225
  145   3HD1  LEU  19          HD13      LEU  19   5.306   5.198   4.640
  146   1HD2  LEU  19          HD21      LEU  19   3.328   2.021   4.771
  147   2HD2  LEU  19          HD22      LEU  19   2.837   3.465   5.738
  148   3HD2  LEU  19          HD23      LEU  19   4.579   3.024   5.577
  149    H    CYS  20           HN       CYS  20  -0.554   1.574   2.479
  150    HA   CYS  20           HA       CYS  20  -1.571   2.919   0.155
  151   1HB   CYS  20          HB2       CYS  20  -2.872   0.975   2.155
  152   2HB   CYS  20          HB1       CYS  20  -3.601   1.470   0.594
  153    H    CYS  21           HN       CYS  21  -3.265   4.463   0.079
  154    HA   CYS  21           HA       CYS  21  -3.765   5.968   2.425
  155   1HB   CYS  21          HB2       CYS  21  -4.819   5.992  -0.410
  156   2HB   CYS  21          HB1       CYS  21  -5.918   6.660   0.822
  157    H    SER  22           HN       SER  22  -5.518   3.243   0.895
  158    HA   SER  22           HA       SER  22  -7.629   3.448   2.849
  159   1HB   SER  22          HB2       SER  22  -8.406   1.317   1.604
  160   2HB   SER  22          HB1       SER  22  -8.381   2.856   0.680
  161    HG   SER  22           HG       SER  22  -6.810   0.585   0.481
  162    H    GLY  23           HN       GLY  23  -4.491   2.594   3.270
  163   1HA   GLY  23          HA2       GLY  23  -3.805   1.832   5.210
  164   2HA   GLY  23          HA1       GLY  23  -5.378   1.018   5.515
  165    H    ALA  24           HN       ALA  24  -5.693  -0.938   3.710
  166    HA   ALA  24           HA       ALA  24  -3.573  -2.574   4.882
  167   1HB   ALA  24          HB1       ALA  24  -5.934  -3.282   5.274
  168   2HB   ALA  24          HB2       ALA  24  -5.020  -4.536   4.366
  169   3HB   ALA  24          HB3       ALA  24  -6.176  -3.453   3.499
  170    H    CYS  25           HN       CYS  25  -2.473  -4.346   3.593
  171    HA   CYS  25           HA       CYS  25  -2.339  -3.693   0.748
  172   1HB   CYS  25          HB2       CYS  25  -0.355  -2.601   1.929
  173   2HB   CYS  25          HB1       CYS  25   0.032  -4.177   2.682
  174    H    VAL  26           HN       VAL  26  -2.505  -5.613  -0.398
  175    HA   VAL  26           HA       VAL  26  -1.764  -8.087   0.967
  176    HB   VAL  26           HB       VAL  26  -4.217  -7.779   1.233
  177   1HG1  VAL  26          HG11      VAL  26  -4.363  -7.808  -1.855
  178   2HG1  VAL  26          HG12      VAL  26  -4.632  -6.365  -0.807
  179   3HG1  VAL  26          HG13      VAL  26  -5.741  -7.774  -0.699
  180   1HG2  VAL  26          HG21      VAL  26  -3.213 -10.043   1.103
  181   2HG2  VAL  26          HG22      VAL  26  -3.440 -10.069  -0.687
  182   3HG2  VAL  26          HG23      VAL  26  -4.870 -10.014   0.405
  183    H    GLY  27           HN       GLY  27  -0.320  -6.262  -0.649
  184   1HA   GLY  27          HA2       GLY  27   1.190  -6.721  -2.311
  185   2HA   GLY  27          HA1       GLY  27   0.005  -7.818  -3.136
  186    H    VAL  28           HN       VAL  28  -2.257  -6.482  -3.228
  187    HA   VAL  28           HA       VAL  28  -1.696  -3.871  -4.456
  188    HB   VAL  28           HB       VAL  28  -4.100  -3.876  -5.144
  189   1HG1  VAL  28          HG11      VAL  28  -3.710  -5.404  -7.086
  190   2HG1  VAL  28          HG12      VAL  28  -2.299  -6.142  -6.236
  191   3HG1  VAL  28          HG13      VAL  28  -2.264  -4.399  -6.712
  192   1HG2  VAL  28          HG21      VAL  28  -4.006  -6.869  -4.313
  193   2HG2  VAL  28          HG22      VAL  28  -5.335  -6.031  -5.185
  194   3HG2  VAL  28          HG23      VAL  28  -4.959  -5.575  -3.491
  195    H    CYS  29           HN       CYS  29  -2.935  -2.085  -3.622
  196    HA   CYS  29           HA       CYS  29  -3.222  -2.167  -0.781
  197   1HB   CYS  29          HB2       CYS  29  -4.068  -0.099  -2.886
  198   2HB   CYS  29          HB1       CYS  29  -4.386   0.140  -1.136
  199    H    ALA  30           HN       ALA  30  -4.974  -2.500   0.451
  200    HA   ALA  30           HA       ALA  30  -7.539  -2.922  -0.942
  201   1HB   ALA  30          HB1       ALA  30  -6.404  -4.579   1.413
  202   2HB   ALA  30          HB2       ALA  30  -6.518  -5.157  -0.286
  203   3HB   ALA  30          HB3       ALA  30  -8.018  -4.806   0.621
  204    H    ASP  31           HN       ASP  31  -8.684  -3.439   1.838
  205    HA   ASP  31           HA       ASP  31  -8.402  -0.980   3.150
  206   1HB   ASP  31          HB2       ASP  31 -10.920  -0.463   2.857
  207   2HB   ASP  31          HB1       ASP  31  -9.949  -0.103   1.398
  208    H    LEU  32           HN       LEU  32 -10.184  -1.307   5.025
  209    HA   LEU  32           HA       LEU  32 -11.339  -3.775   5.264
  210   1HB   LEU  32          HB2       LEU  32  -8.921  -4.347   6.126
  211   2HB   LEU  32          HB1       LEU  32  -9.106  -2.998   7.292
  212    HG   LEU  32           HG       LEU  32 -11.039  -4.228   8.360
  213   1HD1  LEU  32          HD11      LEU  32 -11.404  -6.659   7.823
  214   2HD1  LEU  32          HD12      LEU  32 -10.304  -6.508   6.405
  215   3HD1  LEU  32          HD13      LEU  32 -11.863  -5.602   6.447
  216   1HD2  LEU  32          HD21      LEU  32  -9.698  -5.939   9.515
  217   2HD2  LEU  32          HD22      LEU  32  -8.717  -4.451   9.243
  218   3HD2  LEU  32          HD23      LEU  32  -8.460  -5.899   8.203
  219   1HN   NH2  33          H1        NH2  33 -12.877  -1.465   7.748
  220   2HN   NH2  33          H2        NH2  33 -12.636  -3.166   7.498
  Start of MODEL    2
    1   1H    ASP   1          HT1       ASP   1   2.943   7.051  -3.751
    2   2H    ASP   1          HT2       ASP   1   2.029   6.976  -5.111
    3   3H    ASP   1          HT3       ASP   1   1.324   7.199  -3.642
    4    HA   ASP   1           HA       ASP   1   3.148   9.100  -4.915
    5   1HB   ASP   1          HB2       ASP   1   0.090   9.262  -4.318
    6   2HB   ASP   1          HB1       ASP   1   1.089  10.650  -4.899
    7    H    ASP   2           HN       ASP   2   1.083  10.743  -2.901
    8    HA   ASP   2           HA       ASP   2   2.808  10.801  -0.702
    9   1HB   ASP   2          HB2       ASP   2  -0.170  11.596  -0.924
   10   2HB   ASP   2          HB1       ASP   2   0.940  12.101   0.406
   11    H    CYS   3           HN       CYS   3   0.123   8.678  -1.594
   12    HA   CYS   3           HA       CYS   3   0.986   6.940   0.464
   13   1HB   CYS   3          HB2       CYS   3  -1.428   6.163   0.910
   14   2HB   CYS   3          HB1       CYS   3  -0.939   7.674   1.724
   15    H    ILE   4           HN       ILE   4  -0.012   4.716  -0.417
   16    HA   ILE   4           HA       ILE   4   0.163   4.897  -3.341
   17    HB   ILE   4           HB       ILE   4   0.291   2.433  -1.556
   18   1HG1  ILE   4          HG12      ILE   4   2.437   4.196  -2.884
   19   2HG1  ILE   4          HG11      ILE   4   2.265   3.721  -1.159
   20   1HG2  ILE   4          HG21      ILE   4  -0.682   1.964  -3.832
   21   2HG2  ILE   4          HG22      ILE   4   0.939   1.257  -3.677
   22   3HG2  ILE   4          HG23      ILE   4   0.727   2.784  -4.611
   23   1HD1  ILE   4          HD11      ILE   4   2.691   1.283  -1.892
   24   2HD1  ILE   4          HD12      ILE   4   4.086   2.402  -2.100
   25   3HD1  ILE   4          HD13      ILE   4   3.106   1.909  -3.525
   26    H    LYS   5           HN       LYS   5  -1.499   4.263  -4.598
   27    HA   LYS   5           HA       LYS   5  -3.938   5.184  -3.671
   28   1HB   LYS   5          HB2       LYS   5  -2.949   5.594  -5.957
   29   2HB   LYS   5          HB1       LYS   5  -3.016   3.826  -6.284
   30   1HG   LYS   5          HG2       LYS   5  -5.564   3.978  -6.192
   31   2HG   LYS   5          HG1       LYS   5  -5.402   5.749  -5.966
   32   1HD   LYS   5          HD2       LYS   5  -5.920   5.240  -8.295
   33   2HD   LYS   5          HD1       LYS   5  -4.264   5.924  -8.193
   34   1HE   LYS   5          HE2       LYS   5  -4.407   4.028  -9.827
   35   2HE   LYS   5          HE1       LYS   5  -3.286   3.613  -8.473
   36   1HZ   LYS   5          HZ1       LYS   5  -4.764   1.828  -9.008
   37   2HZ   LYS   5          HZ2       LYS   5  -6.083   2.733  -8.720
   38   3HZ   LYS   5          HZ3       LYS   5  -5.078   2.351  -7.502
   39    HA   HYP   6           HA       HYP   6  -5.666   1.219  -2.705
   40   1HB   HYP   6          HB1       HYP   6  -7.996   1.463  -2.191
   41   2HB   HYP   6          HB2       HYP   6  -8.332   2.227  -3.788
   42   1HD   HYP   6          HD1       HYP   6  -6.880   4.508  -4.271
   43   2HD   HYP   6          HD2       HYP   6  -5.877   5.053  -2.863
   44    HOD  HYP   6           HOD      HYP   6  -6.999   2.709  -0.707
   45    HG   HYP   6           HG       HYP   6  -8.386   4.193  -2.328
   46    H    TYR   7           HN       TYR   7  -5.794  -0.737  -3.899
   47    HA   TYR   7           HA       TYR   7  -5.738  -2.059  -5.534
   48   1HB   TYR   7          HB2       TYR   7  -7.531  -0.213  -7.192
   49   2HB   TYR   7          HB1       TYR   7  -7.233  -1.972  -7.472
   50    HD1  TYR   7           HD1      TYR   7  -9.235   0.457  -5.701
   51    HD2  TYR   7           HD2      TYR   7  -7.837  -3.602  -5.532
   52    HE1  TYR   7           HE1      TYR   7 -11.021  -0.085  -4.085
   53    HE2  TYR   7           HE2      TYR   7  -9.616  -4.155  -3.920
   54    HH   TYR   7           HH       TYR   7 -11.399  -3.361  -2.704
   55    H    GLY   8           HN       GLY   8  -3.674   0.031  -5.278
   56   1HA   GLY   8          HA2       GLY   8  -2.512  -0.367  -7.949
   57   2HA   GLY   8          HA1       GLY   8  -2.122   0.990  -6.788
   58    H    PHE   9           HN       PHE   9  -0.114  -0.994  -7.610
   59    HA   PHE   9           HA       PHE   9  -0.276  -3.273  -6.001
   60   1HB   PHE   9          HB2       PHE   9   2.181  -2.154  -7.491
   61   2HB   PHE   9          HB1       PHE   9   1.998  -3.837  -6.859
   62    HD1  PHE   9           HD1      PHE   9  -0.147  -5.128  -7.650
   63    HD2  PHE   9           HD2      PHE   9   1.545  -1.769  -9.738
   64    HE1  PHE   9           HE1      PHE   9  -1.291  -5.836  -9.721
   65    HE2  PHE   9           HE2      PHE   9   0.405  -2.487 -11.811
   66    HZ   PHE   9           HZ       PHE   9  -1.017  -4.518 -11.811
   67    H    CYS  10           HN       CYS  10   1.193  -4.049  -4.239
   68    HA   CYS  10           HA       CYS  10   3.195  -2.397  -3.348
   69   1HB   CYS  10          HB2       CYS  10   2.553  -1.881  -1.057
   70   2HB   CYS  10          HB1       CYS  10   1.443  -1.052  -2.176
   71    H    SER  11           HN       SER  11   3.643  -3.914  -0.969
   72    HA   SER  11           HA       SER  11   3.327  -6.664  -2.035
   73   1HB   SER  11          HB2       SER  11   5.610  -7.124  -1.011
   74   2HB   SER  11          HB1       SER  11   5.610  -6.035  -2.440
   75    HG   SER  11           HG       SER  11   5.658  -4.247  -0.922
   76    H    LEU  12           HN       LEU  12   4.647  -5.378   1.091
   77    HA   LEU  12           HA       LEU  12   2.295  -6.075   2.482
   78   1HB   LEU  12          HB2       LEU  12   5.054  -7.395   3.069
   79   2HB   LEU  12          HB1       LEU  12   3.761  -7.274   4.308
   80    HG   LEU  12           HG       LEU  12   3.523  -8.831   1.668
   81   1HD1  LEU  12          HD11      LEU  12   4.040  -9.888   4.524
   82   2HD1  LEU  12          HD12      LEU  12   5.246  -9.820   3.185
   83   3HD1  LEU  12          HD13      LEU  12   3.801 -10.882   3.038
   84   1HD2  LEU  12          HD21      LEU  12   1.491  -9.855   2.682
   85   2HD2  LEU  12          HD22      LEU  12   1.297  -8.074   2.544
   86   3HD2  LEU  12          HD23      LEU  12   1.667  -8.816   4.146
   87    HA   PRO  13           HA       PRO  13   4.208  -2.471   4.142
   88   1HB   PRO  13          HB2       PRO  13   3.726  -3.605   6.961
   89   2HB   PRO  13          HB1       PRO  13   3.379  -1.932   6.365
   90   1HG   PRO  13          HG1       PRO  13   1.346  -3.743   6.572
   91   2HG   PRO  13          HG2       PRO  13   1.474  -2.740   5.067
   92   1HD   PRO  13          HD1       PRO  13   2.423  -5.634   5.492
   93   2HD   PRO  13          HD2       PRO  13   1.502  -4.914   4.093
   94    H    ILE  14           HN       ILE  14   6.457  -2.223   3.827
   95    HA   ILE  14           HA       ILE  14   8.167  -2.868   5.879
   96    HB   ILE  14           HB       ILE  14   8.162  -5.111   4.781
   97   1HG1  ILE  14          HG12      ILE  14  10.784  -3.609   4.180
   98   2HG1  ILE  14          HG11      ILE  14  10.250  -4.171   5.805
   99   1HG2  ILE  14          HG21      ILE  14   8.899  -5.398   2.417
  100   2HG2  ILE  14          HG22      ILE  14   8.972  -3.615   2.190
  101   3HG2  ILE  14          HG23      ILE  14   7.401  -4.438   2.516
  102   1HD1  ILE  14          HD11      ILE  14  11.799  -5.830   4.855
  103   2HD1  ILE  14          HD12      ILE  14  10.823  -5.964   3.349
  104   3HD1  ILE  14          HD13      ILE  14  10.145  -6.542   4.913
  105    H    LEU  15           HN       LEU  15  10.211  -1.614   5.060
  106    HA   LEU  15           HA       LEU  15  10.970   0.328   4.504
  107   1HB   LEU  15          HB2       LEU  15   9.670  -0.150   1.771
  108   2HB   LEU  15          HB1       LEU  15  10.936   1.090   2.131
  109    HG   LEU  15           HG       LEU  15  11.287  -1.960   2.338
  110   1HD1  LEU  15          HD11      LEU  15  12.674  -1.726   0.275
  111   2HD1  LEU  15          HD12      LEU  15  12.270   0.029   0.188
  112   3HD1  LEU  15          HD13      LEU  15  10.974  -1.208  -0.011
  113   1HD2  LEU  15          HD21      LEU  15  13.380   0.307   2.591
  114   2HD2  LEU  15          HD22      LEU  15  13.736  -1.457   2.501
  115   3HD2  LEU  15          HD23      LEU  15  12.837  -0.803   3.909
  116    H    LYS  16           HN       LYS  16   8.920   1.683   2.201
  117    HA   LYS  16           HA       LYS  16   6.872   2.458   4.106
  118   1HB   LYS  16          HB2       LYS  16   8.432   4.446   2.327
  119   2HB   LYS  16          HB1       LYS  16   6.924   4.838   3.213
  120   1HG   LYS  16          HG2       LYS  16   9.587   4.011   4.516
  121   2HG   LYS  16          HG1       LYS  16   9.012   5.703   4.319
  122   1HD   LYS  16          HD2       LYS  16   7.074   5.298   5.776
  123   2HD   LYS  16          HD1       LYS  16   7.472   3.556   5.924
  124   1HE   LYS  16          HE2       LYS  16   9.260   5.865   6.947
  125   2HE   LYS  16          HE1       LYS  16   8.161   4.842   7.959
  126   1HZ   LYS  16          HZ1       LYS  16  10.468   3.889   6.410
  127   2HZ   LYS  16          HZ2       LYS  16   9.457   2.946   7.264
  128   3HZ   LYS  16          HZ3       LYS  16  10.381   4.046   8.028
  129    H    ASN  17           HN       ASN  17   6.827   0.371   2.242
  130    HA   ASN  17           HA       ASN  17   5.509   1.602  -0.080
  131   1HB   ASN  17          HB2       ASN  17   5.499  -0.261  -1.333
  132   2HB   ASN  17          HB1       ASN  17   7.085  -0.373  -0.513
  133   1HD2  ASN  17          HD22      ASN  17   6.774  -1.761   1.802
  134   2HD2  ASN  17          HD21      ASN  17   5.731  -3.155   1.660
  135    H    GLY  18           HN       GLY  18   4.777  -0.252   2.901
  136   1HA   GLY  18          HA2       GLY  18   1.987  -0.423   2.214
  137   2HA   GLY  18          HA1       GLY  18   2.813  -0.850   3.760
  138    H    LEU  19           HN       LEU  19   2.332   2.081   1.791
  139    HA   LEU  19           HA       LEU  19   1.042   3.402   4.105
  140   1HB   LEU  19          HB2       LEU  19   2.650   4.719   1.806
  141   2HB   LEU  19          HB1       LEU  19   1.656   5.604   3.013
  142    HG   LEU  19           HG       LEU  19   4.211   3.978   3.563
  143   1HD1  LEU  19          HD11      LEU  19   3.693   7.025   3.540
  144   2HD1  LEU  19          HD12      LEU  19   4.644   6.081   2.335
  145   3HD1  LEU  19          HD13      LEU  19   5.231   6.226   4.033
  146   1HD2  LEU  19          HD21      LEU  19   2.496   5.638   5.528
  147   2HD2  LEU  19          HD22      LEU  19   4.126   4.957   5.877
  148   3HD2  LEU  19          HD23      LEU  19   2.747   3.851   5.556
  149    H    CYS  20           HN       CYS  20  -0.722   2.016   3.135
  150    HA   CYS  20           HA       CYS  20  -1.511   2.805   0.428
  151   1HB   CYS  20          HB2       CYS  20  -2.624   0.777   2.445
  152   2HB   CYS  20          HB1       CYS  20  -3.451   1.174   0.913
  153    H    CYS  21           HN       CYS  21  -3.273   4.173   0.045
  154    HA   CYS  21           HA       CYS  21  -3.783   5.985   2.072
  155   1HB   CYS  21          HB2       CYS  21  -5.666   5.567  -0.312
  156   2HB   CYS  21          HB1       CYS  21  -5.452   7.053   0.658
  157    H    SER  22           HN       SER  22  -5.731   3.157   1.021
  158    HA   SER  22           HA       SER  22  -7.801   3.731   2.938
  159   1HB   SER  22          HB2       SER  22  -8.703   1.475   1.943
  160   2HB   SER  22          HB1       SER  22  -8.648   2.924   0.886
  161    HG   SER  22           HG       SER  22  -7.117   0.592   0.844
  162    H    GLY  23           HN       GLY  23  -4.717   2.606   3.435
  163   1HA   GLY  23          HA2       GLY  23  -4.176   1.953   5.513
  164   2HA   GLY  23          HA1       GLY  23  -5.732   1.079   5.721
  165    H    ALA  24           HN       ALA  24  -5.945  -0.833   3.937
  166    HA   ALA  24           HA       ALA  24  -3.790  -2.476   4.900
  167   1HB   ALA  24          HB1       ALA  24  -6.128  -3.325   3.105
  168   2HB   ALA  24          HB2       ALA  24  -6.144  -3.361   4.908
  169   3HB   ALA  24          HB3       ALA  24  -5.008  -4.413   3.993
  170    H    CYS  25           HN       CYS  25  -2.319  -3.781   3.667
  171    HA   CYS  25           HA       CYS  25  -2.017  -3.108   0.855
  172   1HB   CYS  25          HB2       CYS  25  -0.222  -1.847   2.168
  173   2HB   CYS  25          HB1       CYS  25   0.141  -3.336   3.069
  174    H    VAL  26           HN       VAL  26  -1.987  -5.063  -0.227
  175    HA   VAL  26           HA       VAL  26  -0.780  -7.331   1.054
  176    HB   VAL  26           HB       VAL  26  -3.177  -7.760   1.381
  177   1HG1  VAL  26          HG11      VAL  26  -4.770  -7.998  -0.501
  178   2HG1  VAL  26          HG12      VAL  26  -3.556  -7.381  -1.668
  179   3HG1  VAL  26          HG13      VAL  26  -4.161  -6.312  -0.353
  180   1HG2  VAL  26          HG21      VAL  26  -1.692  -9.660   1.001
  181   2HG2  VAL  26          HG22      VAL  26  -1.946  -9.602  -0.774
  182   3HG2  VAL  26          HG23      VAL  26  -3.324  -9.978   0.313
  183    H    GLY  27           HN       GLY  27  -1.606  -8.357  -1.995
  184   1HA   GLY  27          HA2       GLY  27   0.772  -7.261  -3.085
  185   2HA   GLY  27          HA1       GLY  27  -0.485  -8.250  -3.922
  186    H    VAL  28           HN       VAL  28  -2.082  -5.674  -2.562
  187    HA   VAL  28           HA       VAL  28  -1.542  -3.688  -4.431
  188    HB   VAL  28           HB       VAL  28  -4.061  -3.400  -4.936
  189   1HG1  VAL  28          HG11      VAL  28  -2.577  -5.726  -6.324
  190   2HG1  VAL  28          HG12      VAL  28  -2.413  -3.970  -6.700
  191   3HG1  VAL  28          HG13      VAL  28  -3.979  -4.806  -6.992
  192   1HG2  VAL  28          HG21      VAL  28  -4.121  -6.435  -4.270
  193   2HG2  VAL  28          HG22      VAL  28  -5.461  -5.464  -4.971
  194   3HG2  VAL  28          HG23      VAL  28  -4.903  -5.127  -3.299
  195    H    CYS  29           HN       CYS  29  -2.736  -1.809  -3.507
  196    HA   CYS  29           HA       CYS  29  -3.125  -2.025  -0.643
  197   1HB   CYS  29          HB2       CYS  29  -3.708   0.174  -2.702
  198   2HB   CYS  29          HB1       CYS  29  -4.062   0.376  -0.960
  199    H    ALA  30           HN       ALA  30  -5.191  -2.018   0.436
  200    HA   ALA  30           HA       ALA  30  -7.561  -2.008  -1.228
  201   1HB   ALA  30          HB1       ALA  30  -6.793  -4.431  -1.427
  202   2HB   ALA  30          HB2       ALA  30  -8.336  -4.293  -0.532
  203   3HB   ALA  30          HB3       ALA  30  -6.784  -4.553   0.364
  204    H    ASP  31           HN       ASP  31  -8.780  -3.578   1.260
  205    HA   ASP  31           HA       ASP  31  -8.150  -1.864   3.397
  206   1HB   ASP  31          HB2       ASP  31 -10.628  -1.491   3.954
  207   2HB   ASP  31          HB1       ASP  31 -10.010  -0.464   2.625
  208    H    LEU  32           HN       LEU  32  -9.354  -3.198   5.304
  209    HA   LEU  32           HA       LEU  32 -10.165  -5.775   4.632
  210   1HB   LEU  32          HB2       LEU  32  -7.652  -5.251   6.401
  211   2HB   LEU  32          HB1       LEU  32  -8.603  -6.772   6.458
  212    HG   LEU  32           HG       LEU  32  -7.103  -5.760   3.972
  213   1HD1  LEU  32          HD11      LEU  32  -6.195  -7.895   6.008
  214   2HD1  LEU  32          HD12      LEU  32  -5.475  -6.258   5.787
  215   3HD1  LEU  32          HD13      LEU  32  -5.372  -7.469   4.462
  216   1HD2  LEU  32          HD21      LEU  32  -7.389  -8.090   3.123
  217   2HD2  LEU  32          HD22      LEU  32  -8.968  -7.280   3.386
  218   3HD2  LEU  32          HD23      LEU  32  -8.381  -8.508   4.572
  219   1HN   NH2  33          H1        NH2  33 -11.478  -5.009   7.998
  220   2HN   NH2  33          H2        NH2  33 -11.055  -6.364   7.004
  Start of MODEL    3
    1   1H    ASP   1          HT1       ASP   1   6.437  10.039   1.682
    2   2H    ASP   1          HT2       ASP   1   5.314   9.118   0.969
    3   3H    ASP   1          HT3       ASP   1   4.854  10.254   2.046
    4    HA   ASP   1           HA       ASP   1   5.768  11.977   0.560
    5   1HB   ASP   1          HB2       ASP   1   5.579   9.524  -1.355
    6   2HB   ASP   1          HB1       ASP   1   5.509  11.227  -1.950
    7    H    ASP   2           HN       ASP   2   3.591  10.381  -1.640
    8    HA   ASP   2           HA       ASP   2   1.320  11.395  -0.125
    9   1HB   ASP   2          HB2       ASP   2  -0.049  10.981  -2.127
   10   2HB   ASP   2          HB1       ASP   2   1.334  12.054  -2.488
   11    H    CYS   3           HN       CYS   3  -0.248   9.027  -1.555
   12    HA   CYS   3           HA       CYS   3   0.570   7.049   0.470
   13   1HB   CYS   3          HB2       CYS   3  -1.707   6.272   0.650
   14   2HB   CYS   3          HB1       CYS   3  -1.631   8.001   1.070
   15    H    ILE   4           HN       ILE   4  -0.244   4.821  -0.306
   16    HA   ILE   4           HA       ILE   4   0.487   4.558  -3.131
   17    HB   ILE   4           HB       ILE   4  -0.046   2.293  -1.169
   18   1HG1  ILE   4          HG12      ILE   4   2.744   3.412  -1.805
   19   2HG1  ILE   4          HG11      ILE   4   1.838   3.873  -0.336
   20   1HG2  ILE   4          HG21      ILE   4  -0.114   1.685  -3.583
   21   2HG2  ILE   4          HG22      ILE   4   1.424   1.075  -2.900
   22   3HG2  ILE   4          HG23      ILE   4   1.426   2.567  -3.894
   23   1HD1  ILE   4          HD11      ILE   4   1.627   1.449   0.322
   24   2HD1  ILE   4          HD12      ILE   4   3.317   2.066   0.289
   25   3HD1  ILE   4          HD13      ILE   4   2.713   1.015  -1.046
   26    H    LYS   5           HN       LYS   5  -1.111   3.659  -4.532
   27    HA   LYS   5           HA       LYS   5  -3.530   5.009  -3.990
   28   1HB   LYS   5          HB2       LYS   5  -2.389   5.028  -6.227
   29   2HB   LYS   5          HB1       LYS   5  -2.662   3.254  -6.368
   30   1HG   LYS   5          HG2       LYS   5  -5.132   3.651  -6.364
   31   2HG   LYS   5          HG1       LYS   5  -4.853   5.425  -6.299
   32   1HD   LYS   5          HD2       LYS   5  -3.700   5.339  -8.495
   33   2HD   LYS   5          HD1       LYS   5  -3.818   3.547  -8.532
   34   1HE   LYS   5          HE2       LYS   5  -6.232   5.487  -8.541
   35   2HE   LYS   5          HE1       LYS   5  -5.563   4.619  -9.983
   36   1HZ   LYS   5          HZ1       LYS   5  -7.445   3.516  -9.003
   37   2HZ   LYS   5          HZ2       LYS   5  -6.672   3.322  -7.584
   38   3HZ   LYS   5          HZ3       LYS   5  -6.124   2.569  -8.917
   39    HA   HYP   6           HA       HYP   6  -5.671   1.250  -2.756
   40   1HB   HYP   6          HB1       HYP   6  -7.993   1.746  -2.314
   41   2HB   HYP   6          HB2       HYP   6  -8.116   2.763  -3.801
   42   1HD   HYP   6          HD1       HYP   6  -6.332   4.850  -3.953
   43   2HD   HYP   6          HD2       HYP   6  -5.192   4.904  -2.541
   44    HOD  HYP   6           HOD      HYP   6  -6.790   2.554  -0.683
   45    HG   HYP   6           HG       HYP   6  -7.850   4.472  -2.042
   46    H    TYR   7           HN       TYR   7  -5.925  -0.655  -3.974
   47    HA   TYR   7           HA       TYR   7  -6.024  -1.970  -5.628
   48   1HB   TYR   7          HB2       TYR   7  -7.318   0.131  -7.445
   49   2HB   TYR   7          HB1       TYR   7  -7.220  -1.644  -7.742
   50    HD1  TYR   7           HD1      TYR   7  -8.134  -3.136  -5.665
   51    HD2  TYR   7           HD2      TYR   7  -9.307   0.912  -6.533
   52    HE1  TYR   7           HE1      TYR   7 -10.226  -3.474  -4.405
   53    HE2  TYR   7           HE2      TYR   7 -11.406   0.577  -5.297
   54    HH   TYR   7           HH       TYR   7 -12.736  -0.942  -4.189
   55    H    GLY   8           HN       GLY   8  -3.884   0.365  -5.311
   56   1HA   GLY   8          HA2       GLY   8  -2.514  -0.097  -7.858
   57   2HA   GLY   8          HA1       GLY   8  -2.084   1.021  -6.486
   58    H    PHE   9           HN       PHE   9  -0.076  -0.712  -7.443
   59    HA   PHE   9           HA       PHE   9  -0.138  -3.103  -5.825
   60   1HB   PHE   9          HB2       PHE   9   0.802  -3.168  -8.182
   61   2HB   PHE   9          HB1       PHE   9   2.054  -1.967  -7.690
   62    HD1  PHE   9           HD1      PHE   9   0.666  -5.332  -6.570
   63    HD2  PHE   9           HD2      PHE   9   4.133  -2.838  -7.088
   64    HE1  PHE   9           HE1      PHE   9   2.114  -7.191  -5.842
   65    HE2  PHE   9           HE2      PHE   9   5.581  -4.708  -6.362
   66    HZ   PHE   9           HZ       PHE   9   4.576  -6.889  -5.744
   67    H    CYS  10           HN       CYS  10   1.426  -3.499  -4.066
   68    HA   CYS  10           HA       CYS  10   2.931  -1.213  -3.152
   69   1HB   CYS  10          HB2       CYS  10   1.913  -1.459  -0.805
   70   2HB   CYS  10          HB1       CYS  10   0.805  -0.764  -2.017
   71    H    SER  11           HN       SER  11   3.972  -2.214  -0.965
   72    HA   SER  11           HA       SER  11   4.308  -4.574  -0.085
   73   1HB   SER  11          HB2       SER  11   6.560  -5.371  -1.311
   74   2HB   SER  11          HB1       SER  11   4.970  -5.921  -1.941
   75    HG   SER  11           HG       SER  11   4.971  -4.401  -3.448
   76    H    LEU  12           HN       LEU  12   6.935  -2.998  -1.844
   77    HA   LEU  12           HA       LEU  12   7.474  -1.256   0.483
   78   1HB   LEU  12          HB2       LEU  12   9.085  -1.646  -2.140
   79   2HB   LEU  12          HB1       LEU  12   9.401  -0.375  -0.917
   80    HG   LEU  12           HG       LEU  12   9.680  -2.315   0.803
   81   1HD1  LEU  12          HD11      LEU  12   8.891  -4.233  -0.599
   82   2HD1  LEU  12          HD12      LEU  12  10.610  -4.444  -0.122
   83   3HD1  LEU  12          HD13      LEU  12  10.201  -3.913  -1.794
   84   1HD2  LEU  12          HD21      LEU  12  11.791  -1.812  -1.391
   85   2HD2  LEU  12          HD22      LEU  12  12.108  -2.457   0.264
   86   3HD2  LEU  12          HD23      LEU  12  11.482  -0.781   0.056
   87    HA   PRO  13           HA       PRO  13   4.943   1.452  -1.686
   88   1HB   PRO  13          HB2       PRO  13   6.751   3.795  -0.884
   89   2HB   PRO  13          HB1       PRO  13   4.986   3.590  -0.556
   90   1HG   PRO  13          HG1       PRO  13   6.810   3.192   1.448
   91   2HG   PRO  13          HG2       PRO  13   5.440   2.023   1.249
   92   1HD   PRO  13          HD1       PRO  13   8.318   1.773   0.179
   93   2HD   PRO  13          HD2       PRO  13   7.352   0.587   1.171
   94    H    ILE  14           HN       ILE  14   4.711   2.524  -3.745
   95    HA   ILE  14           HA       ILE  14   6.710   2.015  -5.563
   96    HB   ILE  14           HB       ILE  14   4.386   4.000  -5.814
   97   1HG1  ILE  14          HG12      ILE  14   3.480   1.826  -5.109
   98   2HG1  ILE  14          HG11      ILE  14   3.110   2.141  -6.824
   99   1HG2  ILE  14          HG21      ILE  14   4.552   3.452  -8.284
  100   2HG2  ILE  14          HG22      ILE  14   6.074   2.546  -7.957
  101   3HG2  ILE  14          HG23      ILE  14   5.997   4.320  -7.661
  102   1HD1  ILE  14          HD11      ILE  14   3.708  -0.210  -6.549
  103   2HD1  ILE  14          HD12      ILE  14   5.259   0.200  -5.741
  104   3HD1  ILE  14          HD13      ILE  14   5.022   0.582  -7.489
  105    H    LEU  15           HN       LEU  15   5.843   5.014  -3.822
  106    HA   LEU  15           HA       LEU  15   8.271   6.270  -4.934
  107   1HB   LEU  15          HB2       LEU  15   5.784   7.574  -3.698
  108   2HB   LEU  15          HB1       LEU  15   7.256   8.447  -4.243
  109    HG   LEU  15           HG       LEU  15   5.421   6.768  -6.066
  110   1HD1  LEU  15          HD11      LEU  15   4.586   8.950  -6.953
  111   2HD1  LEU  15          HD12      LEU  15   5.532   9.825  -5.691
  112   3HD1  LEU  15          HD13      LEU  15   4.193   8.712  -5.211
  113   1HD2  LEU  15          HD21      LEU  15   6.606   7.921  -7.961
  114   2HD2  LEU  15          HD22      LEU  15   7.716   6.889  -6.998
  115   3HD2  LEU  15          HD23      LEU  15   7.739   8.682  -6.783
  116    H    LYS  16           HN       LYS  16   8.839   4.392  -3.144
  117    HA   LYS  16           HA       LYS  16  10.362   4.239  -1.635
  118   1HB   LYS  16          HB2       LYS  16  10.267   7.276  -1.277
  119   2HB   LYS  16          HB1       LYS  16  11.538   6.175  -0.630
  120   1HG   LYS  16          HG2       LYS  16  12.211   5.550  -2.929
  121   2HG   LYS  16          HG1       LYS  16  10.910   6.578  -3.624
  122   1HD   LYS  16          HD2       LYS  16  11.947   8.617  -2.632
  123   2HD   LYS  16          HD1       LYS  16  13.193   7.605  -1.822
  124   1HE   LYS  16          HE2       LYS  16  14.150   8.679  -3.839
  125   2HE   LYS  16          HE1       LYS  16  14.088   6.882  -4.058
  126   1HZ   LYS  16          HZ1       LYS  16  12.179   8.828  -5.162
  127   2HZ   LYS  16          HZ2       LYS  16  12.090   7.214  -5.341
  128   3HZ   LYS  16          HZ3       LYS  16  13.338   8.037  -5.981
  129    H    ASN  17           HN       ASN  17   8.017   6.655  -0.369
  130    HA   ASN  17           HA       ASN  17   7.809   5.063   2.075
  131   1HB   ASN  17          HB2       ASN  17   7.848   7.091   3.553
  132   2HB   ASN  17          HB1       ASN  17   9.454   6.677   2.879
  133   1HD2  ASN  17          HD21      ASN  17  10.246   8.017   0.974
  134   2HD2  ASN  17          HD22      ASN  17   9.657   9.635   0.772
  135    H    GLY  18           HN       GLY  18   5.534   4.638   2.251
  136   1HA   GLY  18          HA2       GLY  18   3.773   6.744   2.178
  137   2HA   GLY  18          HA1       GLY  18   3.767   5.788   0.608
  138    H    LEU  19           HN       LEU  19   1.475   5.184   1.968
  139    HA   LEU  19           HA       LEU  19   1.915   2.558   2.812
  140   1HB   LEU  19          HB2       LEU  19   1.991   3.865   5.072
  141   2HB   LEU  19          HB1       LEU  19   0.431   4.611   4.617
  142    HG   LEU  19           HG       LEU  19  -0.668   2.354   4.678
  143   1HD1  LEU  19          HD11      LEU  19   2.059   1.315   5.695
  144   2HD1  LEU  19          HD12      LEU  19   1.273   0.869   4.135
  145   3HD1  LEU  19          HD13      LEU  19   0.503   0.400   5.690
  146   1HD2  LEU  19          HD21      LEU  19  -0.703   3.826   6.660
  147   2HD2  LEU  19          HD22      LEU  19   0.832   3.086   7.259
  148   3HD2  LEU  19          HD23      LEU  19  -0.668   2.088   7.124
  149    H    CYS  20           HN       CYS  20  -0.596   1.819   2.673
  150    HA   CYS  20           HA       CYS  20  -1.601   2.989   0.280
  151   1HB   CYS  20          HB2       CYS  20  -2.829   0.961   2.230
  152   2HB   CYS  20          HB1       CYS  20  -3.534   1.381   0.646
  153    H    CYS  21           HN       CYS  21  -3.477   4.361   0.066
  154    HA   CYS  21           HA       CYS  21  -4.006   6.027   2.258
  155   1HB   CYS  21          HB2       CYS  21  -5.277   5.684  -0.471
  156   2HB   CYS  21          HB1       CYS  21  -6.288   6.455   0.770
  157    H    SER  22           HN       SER  22  -5.920   3.248   0.963
  158    HA   SER  22           HA       SER  22  -7.746   3.424   3.166
  159   1HB   SER  22          HB2       SER  22  -8.697   1.311   2.036
  160   2HB   SER  22          HB1       SER  22  -8.679   2.817   1.052
  161    HG   SER  22           HG       SER  22  -7.103   0.503   0.868
  162    H    GLY  23           HN       GLY  23  -4.630   2.697   3.488
  163   1HA   GLY  23          HA2       GLY  23  -3.900   1.945   5.423
  164   2HA   GLY  23          HA1       GLY  23  -5.390   0.971   5.684
  165    H    ALA  24           HN       ALA  24  -5.564  -0.912   3.878
  166    HA   ALA  24           HA       ALA  24  -3.214  -2.394   4.760
  167   1HB   ALA  24          HB1       ALA  24  -5.481  -3.364   5.215
  168   2HB   ALA  24          HB2       ALA  24  -4.465  -4.448   4.201
  169   3HB   ALA  24          HB3       ALA  24  -5.768  -3.467   3.435
  170    H    CYS  25           HN       CYS  25  -1.873  -3.656   3.472
  171    HA   CYS  25           HA       CYS  25  -2.032  -3.322   0.571
  172   1HB   CYS  25          HB2       CYS  25   0.113  -2.356   1.580
  173   2HB   CYS  25          HB1       CYS  25   0.381  -3.907   2.433
  174    H    VAL  26           HN       VAL  26  -2.427  -5.364  -0.402
  175    HA   VAL  26           HA       VAL  26  -1.804  -7.756   1.134
  176    HB   VAL  26           HB       VAL  26  -4.117  -7.196   1.723
  177   1HG1  VAL  26          HG11      VAL  26  -4.756  -5.777  -0.211
  178   2HG1  VAL  26          HG12      VAL  26  -5.929  -7.117   0.017
  179   3HG1  VAL  26          HG13      VAL  26  -4.715  -7.203  -1.310
  180   1HG2  VAL  26          HG21      VAL  26  -3.983  -9.601  -0.201
  181   2HG2  VAL  26          HG22      VAL  26  -5.167  -9.339   1.126
  182   3HG2  VAL  26          HG23      VAL  26  -3.427  -9.580   1.513
  183    H    GLY  27           HN       GLY  27  -0.335  -6.376  -0.742
  184   1HA   GLY  27          HA2       GLY  27   0.887  -7.109  -2.550
  185   2HA   GLY  27          HA1       GLY  27  -0.542  -8.041  -3.163
  186    H    VAL  28           HN       VAL  28  -2.587  -6.488  -3.224
  187    HA   VAL  28           HA       VAL  28  -1.814  -3.955  -4.511
  188    HB   VAL  28           HB       VAL  28  -4.231  -3.747  -5.119
  189   1HG1  VAL  28          HG11      VAL  28  -2.743  -6.245  -6.180
  190   2HG1  VAL  28          HG12      VAL  28  -2.494  -4.540  -6.719
  191   3HG1  VAL  28          HG13      VAL  28  -4.072  -5.360  -7.019
  192   1HG2  VAL  28          HG21      VAL  28  -5.186  -5.297  -3.356
  193   2HG2  VAL  28          HG22      VAL  28  -4.417  -6.704  -4.185
  194   3HG2  VAL  28          HG23      VAL  28  -5.691  -5.753  -5.017
  195    H    CYS  29           HN       CYS  29  -2.959  -2.034  -3.641
  196    HA   CYS  29           HA       CYS  29  -3.271  -2.189  -0.763
  197   1HB   CYS  29          HB2       CYS  29  -3.894  -0.005  -2.792
  198   2HB   CYS  29          HB1       CYS  29  -4.202   0.207  -1.041
  199    H    ALA  30           HN       ALA  30  -5.191  -2.287   0.396
  200    HA   ALA  30           HA       ALA  30  -7.704  -2.104  -1.043
  201   1HB   ALA  30          HB1       ALA  30  -6.935  -4.678   0.516
  202   2HB   ALA  30          HB2       ALA  30  -7.077  -4.580  -1.272
  203   3HB   ALA  30          HB3       ALA  30  -8.535  -4.329  -0.262
  204    H    ASP  31           HN       ASP  31  -8.587  -3.676   1.654
  205    HA   ASP  31           HA       ASP  31  -7.744  -1.886   3.640
  206   1HB   ASP  31          HB2       ASP  31 -10.094  -1.449   4.474
  207   2HB   ASP  31          HB1       ASP  31  -9.762  -0.546   2.962
  208    H    LEU  32           HN       LEU  32  -8.970  -3.151   5.687
  209    HA   LEU  32           HA       LEU  32  -9.655  -5.807   5.002
  210   1HB   LEU  32          HB2       LEU  32  -7.540  -5.021   7.146
  211   2HB   LEU  32          HB1       LEU  32  -8.347  -6.621   7.077
  212    HG   LEU  32           HG       LEU  32  -6.561  -5.507   4.838
  213   1HD1  LEU  32          HD11      LEU  32  -5.224  -5.658   6.921
  214   2HD1  LEU  32          HD12      LEU  32  -4.716  -6.927   5.749
  215   3HD1  LEU  32          HD13      LEU  32  -5.747  -7.365   7.159
  216   1HD2  LEU  32          HD21      LEU  32  -7.491  -8.391   5.383
  217   2HD2  LEU  32          HD22      LEU  32  -6.370  -7.857   4.077
  218   3HD2  LEU  32          HD23      LEU  32  -8.079  -7.302   4.067
  219   1HN   NH2  33          H1        NH2  33 -11.120  -6.242   6.983
  220   2HN   NH2  33          H2        NH2  33 -11.666  -4.876   7.904
  Start of MODEL    4
    1   1H    ASP   1          HT1       ASP   1   2.179   7.624  -5.213
    2   2H    ASP   1          HT2       ASP   1   1.456   7.785  -3.745
    3   3H    ASP   1          HT3       ASP   1   2.909   8.463  -4.005
    4    HA   ASP   1           HA       ASP   1   1.981   9.950  -5.629
    5   1HB   ASP   1          HB2       ASP   1  -0.091   8.423  -6.078
    6   2HB   ASP   1          HB1       ASP   1  -0.703   8.860  -4.451
    7    H    ASP   2           HN       ASP   2  -0.467  10.774  -3.509
    8    HA   ASP   2           HA       ASP   2   1.194  11.995  -1.547
    9   1HB   ASP   2          HB2       ASP   2  -1.107  12.863  -2.280
   10   2HB   ASP   2          HB1       ASP   2  -1.851  11.413  -1.529
   11    H    CYS   3           HN       CYS   3  -0.931   9.110  -1.811
   12    HA   CYS   3           HA       CYS   3   0.520   7.879   0.423
   13   1HB   CYS   3          HB2       CYS   3  -1.569   6.474   0.765
   14   2HB   CYS   3          HB1       CYS   3  -1.789   8.196   1.161
   15    H    ILE   4           HN       ILE   4  -0.107   5.244  -0.196
   16    HA   ILE   4           HA       ILE   4   0.631   4.963  -3.022
   17    HB   ILE   4           HB       ILE   4   0.302   2.885  -0.840
   18   1HG1  ILE   4          HG12      ILE   4   2.840   4.117  -2.045
   19   2HG1  ILE   4          HG11      ILE   4   2.202   4.329  -0.378
   20   1HG2  ILE   4          HG21      ILE   4   1.329   1.291  -2.512
   21   2HG2  ILE   4          HG22      ILE   4   1.338   2.592  -3.754
   22   3HG2  ILE   4          HG23      ILE   4  -0.214   1.931  -3.115
   23   1HD1  ILE   4          HD11      ILE   4   2.435   1.791  -0.035
   24   2HD1  ILE   4          HD12      ILE   4   3.978   2.698  -0.242
   25   3HD1  ILE   4          HD13      ILE   4   3.318   1.733  -1.609
   26    H    LYS   5           HN       LYS   5  -0.925   3.621  -4.353
   27    HA   LYS   5           HA       LYS   5  -3.348   5.061  -4.087
   28   1HB   LYS   5          HB2       LYS   5  -2.100   4.674  -6.282
   29   2HB   LYS   5          HB1       LYS   5  -2.566   2.944  -6.169
   30   1HG   LYS   5          HG2       LYS   5  -5.026   3.749  -6.162
   31   2HG   LYS   5          HG1       LYS   5  -4.402   5.384  -6.563
   32   1HD   LYS   5          HD2       LYS   5  -3.338   4.455  -8.633
   33   2HD   LYS   5          HD1       LYS   5  -3.913   2.805  -8.205
   34   1HE   LYS   5          HE2       LYS   5  -5.767   5.224  -8.752
   35   2HE   LYS   5          HE1       LYS   5  -5.355   3.932  -9.952
   36   1HZ   LYS   5          HZ1       LYS   5  -7.439   3.592  -8.779
   37   2HZ   LYS   5          HZ2       LYS   5  -6.652   3.420  -7.364
   38   3HZ   LYS   5          HZ3       LYS   5  -6.402   2.358  -8.567
   39    HA   HYP   6           HA       HYP   6  -5.510   1.430  -2.528
   40   1HB   HYP   6          HB1       HYP   6  -7.808   2.051  -2.061
   41   2HB   HYP   6          HB2       HYP   6  -7.916   3.025  -3.575
   42   1HD   HYP   6          HD1       HYP   6  -6.087   4.994  -3.864
   43   2HD   HYP   6          HD2       HYP   6  -4.895   5.098  -2.493
   44    HOD  HYP   6           HOD      HYP   6  -6.345   2.730  -0.631
   45    HG   HYP   6           HG       HYP   6  -7.513   4.760  -1.835
   46    H    TYR   7           HN       TYR   7  -5.802  -0.507  -3.703
   47    HA   TYR   7           HA       TYR   7  -5.842  -1.840  -5.298
   48   1HB   TYR   7          HB2       TYR   7  -7.638   0.086  -6.863
   49   2HB   TYR   7          HB1       TYR   7  -7.328  -1.650  -7.274
   50    HD1  TYR   7           HD1      TYR   7  -9.137   0.639  -5.035
   51    HD2  TYR   7           HD2      TYR   7  -7.917  -3.442  -5.598
   52    HE1  TYR   7           HE1      TYR   7 -10.694  -0.058  -3.264
   53    HE2  TYR   7           HE2      TYR   7  -9.481  -4.156  -3.829
   54    HH   TYR   7           HH       TYR   7 -11.475  -1.815  -1.999
   55    H    GLY   8           HN       GLY   8  -3.757   0.224  -5.041
   56   1HA   GLY   8          HA2       GLY   8  -2.525  -0.140  -7.687
   57   2HA   GLY   8          HA1       GLY   8  -1.959   0.890  -6.291
   58    H    PHE   9           HN       PHE   9  -0.228  -1.076  -7.474
   59    HA   PHE   9           HA       PHE   9  -0.341  -3.391  -5.768
   60   1HB   PHE   9          HB2       PHE   9   0.556  -3.364  -8.249
   61   2HB   PHE   9          HB1       PHE   9   2.039  -2.607  -7.565
   62    HD1  PHE   9           HD1      PHE   9   3.495  -3.948  -6.048
   63    HD2  PHE   9           HD2      PHE   9  -0.084  -5.645  -7.727
   64    HE1  PHE   9           HE1      PHE   9   4.227  -6.195  -5.343
   65    HE2  PHE   9           HE2      PHE   9   0.661  -7.896  -7.031
   66    HZ   PHE   9           HZ       PHE   9   2.813  -8.177  -5.829
   67    H    CYS  10           HN       CYS  10   1.282  -3.770  -4.035
   68    HA   CYS  10           HA       CYS  10   2.673  -1.343  -3.191
   69   1HB   CYS  10          HB2       CYS  10   1.642  -1.609  -0.865
   70   2HB   CYS  10          HB1       CYS  10   0.504  -1.057  -2.120
   71    H    SER  11           HN       SER  11   3.729  -2.103  -0.885
   72    HA   SER  11           HA       SER  11   4.748  -4.516  -0.472
   73   1HB   SER  11          HB2       SER  11   7.100  -4.069  -1.589
   74   2HB   SER  11          HB1       SER  11   5.810  -4.606  -2.719
   75    HG   SER  11           HG       SER  11   6.724  -2.896  -3.658
   76    H    LEU  12           HN       LEU  12   7.372  -3.034   0.228
   77    HA   LEU  12           HA       LEU  12   6.241  -0.618   1.464
   78   1HB   LEU  12          HB2       LEU  12   7.042  -2.470   3.105
   79   2HB   LEU  12          HB1       LEU  12   8.686  -2.149   2.499
   80    HG   LEU  12           HG       LEU  12   8.324  -1.032   4.600
   81   1HD1  LEU  12          HD11      LEU  12   8.940   1.277   4.152
   82   2HD1  LEU  12          HD12      LEU  12   8.226   1.218   2.503
   83   3HD1  LEU  12          HD13      LEU  12   9.691   0.236   2.887
   84   1HD2  LEU  12          HD21      LEU  12   6.609   0.691   5.051
   85   2HD2  LEU  12          HD22      LEU  12   5.841  -0.876   4.608
   86   3HD2  LEU  12          HD23      LEU  12   5.901   0.474   3.412
   87    HA   PRO  13           HA       PRO  13   9.394   0.221  -1.784
   88   1HB   PRO  13          HB2       PRO  13   8.399   2.686  -2.678
   89   2HB   PRO  13          HB1       PRO  13   7.722   1.101  -3.236
   90   1HG   PRO  13          HG1       PRO  13   6.674   2.922  -1.006
   91   2HG   PRO  13          HG2       PRO  13   5.738   2.148  -2.352
   92   1HD   PRO  13          HD1       PRO  13   5.878   1.051   0.194
   93   2HD   PRO  13          HD2       PRO  13   5.845  -0.011  -1.289
   94    H    ILE  14           HN       ILE  14  11.258   1.630  -1.550
   95    HA   ILE  14           HA       ILE  14  11.345   2.738   1.115
   96    HB   ILE  14           HB       ILE  14  13.784   2.848   0.757
   97   1HG1  ILE  14          HG12      ILE  14  13.171   1.474  -1.957
   98   2HG1  ILE  14          HG11      ILE  14  13.866   3.115  -1.727
   99   1HG2  ILE  14          HG21      ILE  14  12.531   0.929   1.795
  100   2HG2  ILE  14          HG22      ILE  14  14.035   0.390   0.978
  101   3HG2  ILE  14          HG23      ILE  14  12.436   0.116   0.190
  102   1HD1  ILE  14          HD11      ILE  14  15.198   0.449  -0.934
  103   2HD1  ILE  14          HD12      ILE  14  15.862   2.087  -0.570
  104   3HD1  ILE  14          HD13      ILE  14  15.660   1.550  -2.277
  105    H    LEU  15           HN       LEU  15  11.502   3.914  -2.229
  106    HA   LEU  15           HA       LEU  15  13.050   6.164  -1.625
  107   1HB   LEU  15          HB2       LEU  15  11.216   5.693  -4.059
  108   2HB   LEU  15          HB1       LEU  15  12.527   6.915  -3.964
  109    HG   LEU  15           HG       LEU  15  12.948   3.865  -3.803
  110   1HD1  LEU  15          HD11      LEU  15  13.819   4.024  -6.118
  111   2HD1  LEU  15          HD12      LEU  15  13.400   5.777  -6.177
  112   3HD1  LEU  15          HD13      LEU  15  12.097   4.539  -6.037
  113   1HD2  LEU  15          HD21      LEU  15  14.768   5.141  -2.637
  114   2HD2  LEU  15          HD22      LEU  15  15.012   6.144  -4.115
  115   3HD2  LEU  15          HD23      LEU  15  15.355   4.376  -4.150
  116    H    LYS  16           HN       LYS  16   9.515   5.672  -1.844
  117    HA   LYS  16           HA       LYS  16   9.239   8.066  -0.362
  118   1HB   LYS  16          HB2       LYS  16   7.415   7.339  -2.772
  119   2HB   LYS  16          HB1       LYS  16   7.013   8.541  -1.485
  120   1HG   LYS  16          HG2       LYS  16   8.992   9.922  -2.171
  121   2HG   LYS  16          HG1       LYS  16   9.377   8.734  -3.459
  122   1HD   LYS  16          HD2       LYS  16   7.184   9.206  -4.566
  123   2HD   LYS  16          HD1       LYS  16   6.786  10.395  -3.269
  124   1HE   LYS  16          HE2       LYS  16   8.800  11.775  -3.927
  125   2HE   LYS  16          HE1       LYS  16   9.170  10.586  -5.243
  126   1HZ   LYS  16          HZ1       LYS  16   6.733  12.217  -5.015
  127   2HZ   LYS  16          HZ2       LYS  16   7.031  11.123  -6.184
  128   3HZ   LYS  16          HZ3       LYS  16   7.964  12.449  -6.053
  129    H    ASN  17           HN       ASN  17   7.504   7.311   1.208
  130    HA   ASN  17           HA       ASN  17   6.818   4.575   1.038
  131   1HB   ASN  17          HB2       ASN  17   7.870   4.076   3.307
  132   2HB   ASN  17          HB1       ASN  17   9.073   4.204   1.992
  133   1HD2  ASN  17          HD21      ASN  17  10.661   5.901   2.008
  134   2HD2  ASN  17          HD22      ASN  17  10.780   7.026   3.324
  135    H    GLY  18           HN       GLY  18   5.291   4.306   2.976
  136   1HA   GLY  18          HA2       GLY  18   4.214   5.975   4.607
  137   2HA   GLY  18          HA1       GLY  18   3.615   6.527   2.948
  138    H    LEU  19           HN       LEU  19   1.466   5.240   3.644
  139    HA   LEU  19           HA       LEU  19   1.847   2.529   2.662
  140   1HB   LEU  19          HB2       LEU  19   0.059   3.298   5.068
  141   2HB   LEU  19          HB1       LEU  19  -0.156   1.798   4.117
  142    HG   LEU  19           HG       LEU  19   0.884   1.156   6.066
  143   1HD1  LEU  19          HD11      LEU  19   3.107   1.153   3.924
  144   2HD1  LEU  19          HD12      LEU  19   1.679   0.049   3.961
  145   3HD1  LEU  19          HD13      LEU  19   2.900  -0.001   5.283
  146   1HD2  LEU  19          HD21      LEU  19   3.230   3.106   5.676
  147   2HD2  LEU  19          HD22      LEU  19   2.974   1.949   7.017
  148   3HD2  LEU  19          HD23      LEU  19   1.854   3.347   6.817
  149    H    CYS  20           HN       CYS  20  -0.974   2.095   2.556
  150    HA   CYS  20           HA       CYS  20  -1.522   3.910   0.393
  151   1HB   CYS  20          HB2       CYS  20  -3.066   1.454   1.418
  152   2HB   CYS  20          HB1       CYS  20  -3.436   2.358  -0.091
  153    H    CYS  21           HN       CYS  21  -3.647   4.961   0.215
  154    HA   CYS  21           HA       CYS  21  -4.260   6.344   2.598
  155   1HB   CYS  21          HB2       CYS  21  -5.798   6.102  -0.049
  156   2HB   CYS  21          HB1       CYS  21  -6.431   7.037   1.334
  157    H    SER  22           HN       SER  22  -5.813   3.523   1.015
  158    HA   SER  22           HA       SER  22  -7.808   3.327   3.077
  159   1HB   SER  22          HB2       SER  22  -8.422   1.217   1.771
  160   2HB   SER  22          HB1       SER  22  -8.446   2.736   0.805
  161    HG   SER  22           HG       SER  22  -6.745   0.537   0.733
  162    H    GLY  23           HN       GLY  23  -4.536   2.746   3.142
  163   1HA   GLY  23          HA2       GLY  23  -3.413   1.846   4.786
  164   2HA   GLY  23          HA1       GLY  23  -4.872   0.957   5.352
  165    H    ALA  24           HN       ALA  24  -5.552  -0.895   3.840
  166    HA   ALA  24           HA       ALA  24  -3.352  -2.503   4.598
  167   1HB   ALA  24          HB1       ALA  24  -4.883  -4.424   4.421
  168   2HB   ALA  24          HB2       ALA  24  -6.072  -3.404   3.529
  169   3HB   ALA  24          HB3       ALA  24  -5.700  -3.056   5.258
  170    H    CYS  25           HN       CYS  25  -1.822  -3.480   3.427
  171    HA   CYS  25           HA       CYS  25  -2.084  -3.626   0.537
  172   1HB   CYS  25          HB2       CYS  25   0.005  -2.585   1.551
  173   2HB   CYS  25          HB1       CYS  25   0.310  -4.117   2.428
  174    H    VAL  26           HN       VAL  26  -2.578  -5.636  -0.422
  175    HA   VAL  26           HA       VAL  26  -1.758  -8.029   1.042
  176    HB   VAL  26           HB       VAL  26  -4.127  -7.664   1.561
  177   1HG1  VAL  26          HG11      VAL  26  -5.876  -7.687  -0.213
  178   2HG1  VAL  26          HG12      VAL  26  -4.609  -7.621  -1.491
  179   3HG1  VAL  26          HG13      VAL  26  -4.813  -6.249  -0.339
  180   1HG2  VAL  26          HG21      VAL  26  -3.240  -9.978   1.327
  181   2HG2  VAL  26          HG22      VAL  26  -3.713 -10.002  -0.412
  182   3HG2  VAL  26          HG23      VAL  26  -4.979  -9.868   0.860
  183    H    GLY  27           HN       GLY  27  -0.295  -6.508  -0.759
  184   1HA   GLY  27          HA2       GLY  27   1.029  -7.198  -2.506
  185   2HA   GLY  27          HA1       GLY  27  -0.316  -8.221  -3.159
  186    H    VAL  28           HN       VAL  28  -2.446  -6.672  -3.209
  187    HA   VAL  28           HA       VAL  28  -1.719  -4.116  -4.453
  188    HB   VAL  28           HB       VAL  28  -4.086  -4.040  -5.294
  189   1HG1  VAL  28          HG11      VAL  28  -2.143  -4.559  -6.764
  190   2HG1  VAL  28          HG12      VAL  28  -3.602  -5.479  -7.281
  191   3HG1  VAL  28          HG13      VAL  28  -2.284  -6.314  -6.375
  192   1HG2  VAL  28          HG21      VAL  28  -4.085  -7.067  -4.590
  193   2HG2  VAL  28          HG22      VAL  28  -5.365  -6.171  -5.475
  194   3HG2  VAL  28          HG23      VAL  28  -5.055  -5.801  -3.747
  195    H    CYS  29           HN       CYS  29  -3.025  -2.329  -3.593
  196    HA   CYS  29           HA       CYS  29  -3.576  -2.877  -0.774
  197   1HB   CYS  29          HB2       CYS  29  -3.003  -0.397  -2.354
  198   2HB   CYS  29          HB1       CYS  29  -4.197  -0.190  -1.035
  199    H    ALA  30           HN       ALA  30  -5.434  -2.561   0.308
  200    HA   ALA  30           HA       ALA  30  -7.833  -1.912  -1.202
  201   1HB   ALA  30          HB1       ALA  30  -7.488  -4.498   0.489
  202   2HB   ALA  30          HB2       ALA  30  -7.600  -4.474  -1.302
  203   3HB   ALA  30          HB3       ALA  30  -9.014  -3.957  -0.326
  204    H    ASP  31           HN       ASP  31  -9.130  -3.083   1.405
  205    HA   ASP  31           HA       ASP  31  -7.879  -1.610   3.477
  206   1HB   ASP  31          HB2       ASP  31 -10.215  -1.079   4.458
  207   2HB   ASP  31          HB1       ASP  31  -9.682   0.012   3.140
  208    H    LEU  32           HN       LEU  32  -8.765  -3.061   5.528
  209    HA   LEU  32           HA       LEU  32  -9.832  -5.513   4.771
  210   1HB   LEU  32          HB2       LEU  32  -7.307  -5.684   4.009
  211   2HB   LEU  32          HB1       LEU  32  -6.868  -5.325   5.708
  212    HG   LEU  32           HG       LEU  32  -7.980  -7.469   6.416
  213   1HD1  LEU  32          HD11      LEU  32  -8.620  -9.163   4.658
  214   2HD1  LEU  32          HD12      LEU  32  -8.422  -7.903   3.386
  215   3HD1  LEU  32          HD13      LEU  32  -9.708  -7.733   4.638
  216   1HD2  LEU  32          HD21      LEU  32  -6.259  -9.001   5.422
  217   2HD2  LEU  32          HD22      LEU  32  -5.552  -7.424   5.923
  218   3HD2  LEU  32          HD23      LEU  32  -5.868  -7.754   4.178
  219   1HN   NH2  33          H1        NH2  33  -9.959  -5.365   8.456
  220   2HN   NH2  33          H2        NH2  33  -9.911  -6.528   7.166
  Start of MODEL    5
    1   1H    ASP   1          HT1       ASP   1   1.039  14.176   3.109
    2   2H    ASP   1          HT2       ASP   1   2.074  14.846   2.059
    3   3H    ASP   1          HT3       ASP   1   2.475  14.743   3.647
    4    HA   ASP   1           HA       ASP   1   3.682  13.099   2.471
    5   1HB   ASP   1          HB2       ASP   1   1.223  11.879   3.932
    6   2HB   ASP   1          HB1       ASP   1   2.644  10.906   3.406
    7    H    ASP   2           HN       ASP   2   2.299  10.513   1.564
    8    HA   ASP   2           HA       ASP   2   0.446  11.137  -0.367
    9   1HB   ASP   2          HB2       ASP   2   2.545  11.857  -1.691
   10   2HB   ASP   2          HB1       ASP   2   3.303  10.279  -1.281
   11    H    CYS   3           HN       CYS   3   0.307   8.485  -1.304
   12    HA   CYS   3           HA       CYS   3   1.323   6.676   0.559
   13   1HB   CYS   3          HB2       CYS   3  -1.084   5.905   1.251
   14   2HB   CYS   3          HB1       CYS   3  -0.384   7.284   2.133
   15    H    ILE   4           HN       ILE   4   0.157   4.538  -0.242
   16    HA   ILE   4           HA       ILE   4   0.411   4.756  -3.109
   17    HB   ILE   4           HB       ILE   4   0.166   2.258  -1.378
   18   1HG1  ILE   4          HG12      ILE   4   2.717   3.635  -2.435
   19   2HG1  ILE   4          HG11      ILE   4   2.143   3.763  -0.744
   20   1HG2  ILE   4          HG21      ILE   4   1.269   1.178  -3.410
   21   2HG2  ILE   4          HG22      ILE   4   1.150   2.739  -4.288
   22   3HG2  ILE   4          HG23      ILE   4  -0.336   1.842  -3.796
   23   1HD1  ILE   4          HD11      ILE   4   3.083   1.200  -2.152
   24   2HD1  ILE   4          HD12      ILE   4   2.286   1.232  -0.534
   25   3HD1  ILE   4          HD13      ILE   4   3.869   2.070  -0.797
   26    H    LYS   5           HN       LYS   5  -1.157   3.840  -4.541
   27    HA   LYS   5           HA       LYS   5  -3.550   5.139  -3.977
   28   1HB   LYS   5          HB2       LYS   5  -2.309   5.223  -6.159
   29   2HB   LYS   5          HB1       LYS   5  -2.651   3.473  -6.409
   30   1HG   LYS   5          HG2       LYS   5  -5.092   3.976  -6.590
   31   2HG   LYS   5          HG1       LYS   5  -4.767   5.719  -6.265
   32   1HD   LYS   5          HD2       LYS   5  -3.359   5.835  -8.337
   33   2HD   LYS   5          HD1       LYS   5  -3.689   4.088  -8.651
   34   1HE   LYS   5          HE2       LYS   5  -6.159   4.603  -8.848
   35   2HE   LYS   5          HE1       LYS   5  -5.802   6.359  -8.583
   36   1HZ   LYS   5          HZ1       LYS   5  -4.468   6.296 -10.557
   37   2HZ   LYS   5          HZ2       LYS   5  -5.977   5.789 -10.892
   38   3HZ   LYS   5          HZ3       LYS   5  -4.761   4.713 -10.787
   39    HA   HYP   6           HA       HYP   6  -5.777   1.475  -2.793
   40   1HB   HYP   6          HB1       HYP   6  -8.087   2.048  -2.393
   41   2HB   HYP   6          HB2       HYP   6  -8.227   2.870  -3.992
   42   1HD   HYP   6          HD1       HYP   6  -6.402   4.935  -4.382
   43   2HD   HYP   6          HD2       HYP   6  -5.357   5.215  -2.923
   44    HOD  HYP   6           HOD      HYP   6  -6.849   3.007  -0.939
   45    HG   HYP   6           HG       HYP   6  -8.014   4.798  -2.516
   46    H    TYR   7           HN       TYR   7  -6.002  -0.497  -3.901
   47    HA   TYR   7           HA       TYR   7  -6.059  -1.911  -5.416
   48   1HB   TYR   7          HB2       TYR   7  -7.979  -0.078  -6.945
   49   2HB   TYR   7          HB1       TYR   7  -7.612  -1.792  -7.394
   50    HD1  TYR   7           HD1      TYR   7  -9.369   0.383  -4.984
   51    HD2  TYR   7           HD2      TYR   7  -8.033  -3.627  -5.751
   52    HE1  TYR   7           HE1      TYR   7 -10.773  -0.428  -3.133
   53    HE2  TYR   7           HE2      TYR   7  -9.438  -4.455  -3.906
   54    HH   TYR   7           HH       TYR   7 -11.312  -2.246  -1.812
   55    H    GLY   8           HN       GLY   8  -4.042   0.335  -5.454
   56   1HA   GLY   8          HA2       GLY   8  -2.819  -0.400  -8.022
   57   2HA   GLY   8          HA1       GLY   8  -2.267   0.831  -6.790
   58    H    PHE   9           HN       PHE   9  -0.357  -1.121  -7.498
   59    HA   PHE   9           HA       PHE   9  -0.533  -3.152  -5.402
   60   1HB   PHE   9          HB2       PHE   9   1.459  -2.792  -7.719
   61   2HB   PHE   9          HB1       PHE   9   1.764  -3.892  -6.325
   62    HD1  PHE   9           HD1      PHE   9  -0.719  -3.217  -9.089
   63    HD2  PHE   9           HD2      PHE   9   0.807  -6.017  -6.200
   64    HE1  PHE   9           HE1      PHE   9  -2.073  -5.010 -10.107
   65    HE2  PHE   9           HE2      PHE   9  -0.527  -7.817  -7.245
   66    HZ   PHE   9           HZ       PHE   9  -1.980  -7.315  -9.195
   67    H    CYS  10           HN       CYS  10   1.414  -3.351  -3.914
   68    HA   CYS  10           HA       CYS  10   2.668  -0.759  -3.447
   69   1HB   CYS  10          HB2       CYS  10   2.141  -1.244  -0.915
   70   2HB   CYS  10          HB1       CYS  10   0.842  -0.547  -1.917
   71    H    SER  11           HN       SER  11   4.694  -1.015  -2.179
   72    HA   SER  11           HA       SER  11   5.203  -3.430  -0.991
   73   1HB   SER  11          HB2       SER  11   7.533  -3.699  -2.012
   74   2HB   SER  11          HB1       SER  11   6.211  -4.206  -3.124
   75    HG   SER  11           HG       SER  11   7.687  -2.952  -4.226
   76    H    LEU  12           HN       LEU  12   7.392  -2.708   0.267
   77    HA   LEU  12           HA       LEU  12   8.266  -0.138  -0.025
   78   1HB   LEU  12          HB2       LEU  12   6.553  -0.837   2.430
   79   2HB   LEU  12          HB1       LEU  12   8.049   0.098   2.689
   80    HG   LEU  12           HG       LEU  12   5.663   0.961   0.965
   81   1HD1  LEU  12          HD11      LEU  12   5.325   2.713   2.695
   82   2HD1  LEU  12          HD12      LEU  12   6.757   2.113   3.618
   83   3HD1  LEU  12          HD13      LEU  12   5.292   1.079   3.448
   84   1HD2  LEU  12          HD21      LEU  12   6.793   3.186   0.753
   85   2HD2  LEU  12          HD22      LEU  12   7.669   1.892  -0.112
   86   3HD2  LEU  12          HD23      LEU  12   8.290   2.489   1.477
   87    HA   PRO  13           HA       PRO  13  11.281  -3.096   1.703
   88   1HB   PRO  13          HB2       PRO  13  11.940  -0.976   3.842
   89   2HB   PRO  13          HB1       PRO  13  13.107  -1.938   2.844
   90   1HG   PRO  13          HG1       PRO  13  12.598   0.678   2.237
   91   2HG   PRO  13          HG2       PRO  13  12.677  -0.549   0.900
   92   1HD   PRO  13          HD1       PRO  13  10.176   0.610   2.254
   93   2HD   PRO  13          HD2       PRO  13  10.494   0.327   0.480
   94    H    ILE  14           HN       ILE  14  10.948  -4.747   3.284
   95    HA   ILE  14           HA       ILE  14   8.303  -4.682   3.886
   96    HB   ILE  14           HB       ILE  14   8.610  -7.056   4.483
   97   1HG1  ILE  14          HG12      ILE  14  11.639  -6.452   4.158
   98   2HG1  ILE  14          HG11      ILE  14  10.808  -6.816   5.705
   99   1HG2  ILE  14          HG21      ILE  14   8.430  -6.150   2.110
  100   2HG2  ILE  14          HG22      ILE  14   9.312  -7.707   2.228
  101   3HG2  ILE  14          HG23      ILE  14  10.225  -6.183   1.987
  102   1HD1  ILE  14          HD11      ILE  14  11.067  -8.736   3.298
  103   2HD1  ILE  14          HD12      ILE  14  10.149  -9.078   4.815
  104   3HD1  ILE  14          HD13      ILE  14  11.934  -8.833   4.871
  105    H    LEU  15           HN       LEU  15   9.612  -2.880   5.702
  106    HA   LEU  15           HA       LEU  15   9.051  -4.025   8.351
  107   1HB   LEU  15          HB2       LEU  15   9.984  -1.196   7.520
  108   2HB   LEU  15          HB1       LEU  15   9.817  -1.775   9.210
  109    HG   LEU  15           HG       LEU  15  11.776  -2.918   7.113
  110   1HD1  LEU  15          HD11      LEU  15  12.330  -0.982   9.447
  111   2HD1  LEU  15          HD12      LEU  15  12.353  -0.577   7.691
  112   3HD1  LEU  15          HD13      LEU  15  13.564  -1.726   8.364
  113   1HD2  LEU  15          HD21      LEU  15  12.888  -4.031   9.072
  114   2HD2  LEU  15          HD22      LEU  15  11.216  -4.632   8.817
  115   3HD2  LEU  15          HD23      LEU  15  11.557  -3.462  10.146
  116    H    LYS  16           HN       LYS  16   7.628  -2.324   5.648
  117    HA   LYS  16           HA       LYS  16   5.199  -2.452   7.086
  118   1HB   LYS  16          HB2       LYS  16   6.147   0.115   7.000
  119   2HB   LYS  16          HB1       LYS  16   5.616   0.014   5.298
  120   1HG   LYS  16          HG2       LYS  16   3.274  -0.552   6.126
  121   2HG   LYS  16          HG1       LYS  16   3.895  -0.515   7.813
  122   1HD   LYS  16          HD2       LYS  16   4.577   1.895   7.480
  123   2HD   LYS  16          HD1       LYS  16   3.808   1.867   5.855
  124   1HE   LYS  16          HE2       LYS  16   2.333   1.313   8.532
  125   2HE   LYS  16          HE1       LYS  16   2.353   2.903   7.668
  126   1HZ   LYS  16          HZ1       LYS  16   0.411   1.569   7.205
  127   2HZ   LYS  16          HZ2       LYS  16   1.315   0.398   6.528
  128   3HZ   LYS  16          HZ3       LYS  16   1.259   1.875   5.853
  129    H    ASN  17           HN       ASN  17   3.660  -2.878   5.184
  130    HA   ASN  17           HA       ASN  17   5.222  -4.061   2.986
  131   1HB   ASN  17          HB2       ASN  17   2.253  -4.373   3.755
  132   2HB   ASN  17          HB1       ASN  17   2.960  -5.001   2.227
  133   1HD2  ASN  17          HD21      ASN  17   5.236  -5.149   4.883
  134   2HD2  ASN  17          HD22      ASN  17   5.035  -6.837   5.221
  135    H    GLY  18           HN       GLY  18   3.194  -1.210   3.717
  136   1HA   GLY  18          HA2       GLY  18   3.939  -0.033   1.448
  137   2HA   GLY  18          HA1       GLY  18   2.262  -0.737   1.203
  138    H    LEU  19           HN       LEU  19   2.528   2.117   1.551
  139    HA   LEU  19           HA       LEU  19   1.034   2.307   4.059
  140   1HB   LEU  19          HB2       LEU  19   3.067   3.826   4.203
  141   2HB   LEU  19          HB1       LEU  19   2.683   4.468   2.577
  142    HG   LEU  19           HG       LEU  19   0.518   5.401   3.471
  143   1HD1  LEU  19          HD11      LEU  19   0.124   3.913   5.428
  144   2HD1  LEU  19          HD12      LEU  19   0.172   5.639   5.926
  145   3HD1  LEU  19          HD13      LEU  19   1.593   4.577   6.245
  146   1HD2  LEU  19          HD21      LEU  19   1.549   7.310   4.686
  147   2HD2  LEU  19          HD22      LEU  19   2.527   6.830   3.257
  148   3HD2  LEU  19          HD23      LEU  19   3.068   6.366   4.914
  149    H    CYS  20           HN       CYS  20  -0.814   1.579   2.928
  150    HA   CYS  20           HA       CYS  20  -1.381   2.785   0.325
  151   1HB   CYS  20          HB2       CYS  20  -2.844   0.675   2.020
  152   2HB   CYS  20          HB1       CYS  20  -3.454   1.301   0.458
  153    H    CYS  21           HN       CYS  21  -3.172   4.213   0.027
  154    HA   CYS  21           HA       CYS  21  -3.598   5.852   2.240
  155   1HB   CYS  21          HB2       CYS  21  -5.351   5.738  -0.273
  156   2HB   CYS  21          HB1       CYS  21  -5.240   7.091   0.888
  157    H    SER  22           HN       SER  22  -5.645   3.235   0.867
  158    HA   SER  22           HA       SER  22  -7.712   3.734   2.799
  159   1HB   SER  22          HB2       SER  22  -8.709   1.651   1.578
  160   2HB   SER  22          HB1       SER  22  -8.517   3.175   0.650
  161    HG   SER  22           HG       SER  22  -7.085   0.770   0.494
  162    H    GLY  23           HN       GLY  23  -4.708   2.522   3.320
  163   1HA   GLY  23          HA2       GLY  23  -4.311   1.773   5.399
  164   2HA   GLY  23          HA1       GLY  23  -5.834   0.816   5.422
  165    H    ALA  24           HN       ALA  24  -5.830  -1.003   3.560
  166    HA   ALA  24           HA       ALA  24  -3.653  -2.557   4.672
  167   1HB   ALA  24          HB1       ALA  24  -5.955  -3.502   2.859
  168   2HB   ALA  24          HB2       ALA  24  -5.976  -3.534   4.655
  169   3HB   ALA  24          HB3       ALA  24  -4.803  -4.556   3.756
  170    H    CYS  25           HN       CYS  25  -2.002  -3.661   3.476
  171    HA   CYS  25           HA       CYS  25  -1.952  -3.233   0.592
  172   1HB   CYS  25          HB2       CYS  25   0.002  -1.935   1.614
  173   2HB   CYS  25          HB1       CYS  25   0.405  -3.360   2.606
  174    H    VAL  26           HN       VAL  26  -2.190  -5.313  -0.242
  175    HA   VAL  26           HA       VAL  26  -1.230  -7.586   1.299
  176    HB   VAL  26           HB       VAL  26  -3.512  -7.261   2.106
  177   1HG1  VAL  26          HG11      VAL  26  -4.398  -5.897   0.184
  178   2HG1  VAL  26          HG12      VAL  26  -5.483  -7.251   0.640
  179   3HG1  VAL  26          HG13      VAL  26  -4.458  -7.383  -0.831
  180   1HG2  VAL  26          HG21      VAL  26  -3.373  -9.642   0.149
  181   2HG2  VAL  26          HG22      VAL  26  -4.432  -9.487   1.596
  182   3HG2  VAL  26          HG23      VAL  26  -2.643  -9.584   1.795
  183    H    GLY  27           HN       GLY  27   0.076  -6.317  -0.632
  184   1HA   GLY  27          HA2       GLY  27   1.122  -6.930  -2.555
  185   2HA   GLY  27          HA1       GLY  27  -0.285  -7.975  -3.019
  186    H    VAL  28           HN       VAL  28  -2.426  -6.604  -3.002
  187    HA   VAL  28           HA       VAL  28  -2.021  -4.140  -4.527
  188    HB   VAL  28           HB       VAL  28  -4.534  -4.156  -4.716
  189   1HG1  VAL  28          HG11      VAL  28  -2.977  -4.880  -6.529
  190   2HG1  VAL  28          HG12      VAL  28  -4.497  -5.847  -6.548
  191   3HG1  VAL  28          HG13      VAL  28  -2.979  -6.561  -5.883
  192   1HG2  VAL  28          HG21      VAL  28  -5.007  -5.692  -2.742
  193   2HG2  VAL  28          HG22      VAL  28  -4.247  -7.063  -3.642
  194   3HG2  VAL  28          HG23      VAL  28  -5.731  -6.282  -4.277
  195    H    CYS  29           HN       CYS  29  -3.085  -2.201  -3.702
  196    HA   CYS  29           HA       CYS  29  -3.263  -2.093  -0.800
  197   1HB   CYS  29          HB2       CYS  29  -3.871  -0.093  -3.052
  198   2HB   CYS  29          HB1       CYS  29  -4.223   0.277  -1.333
  199    H    ALA  30           HN       ALA  30  -5.169  -2.322   0.311
  200    HA   ALA  30           HA       ALA  30  -7.665  -2.296  -1.250
  201   1HB   ALA  30          HB1       ALA  30  -6.899  -4.550   0.725
  202   2HB   ALA  30          HB2       ALA  30  -6.998  -4.736  -1.060
  203   3HB   ALA  30          HB3       ALA  30  -8.485  -4.366  -0.139
  204    H    ASP  31           HN       ASP  31  -8.709  -3.391   1.586
  205    HA   ASP  31           HA       ASP  31  -8.209  -1.190   3.252
  206   1HB   ASP  31          HB2       ASP  31 -10.754  -0.680   3.447
  207   2HB   ASP  31          HB1       ASP  31  -9.957  -0.006   1.994
  208    H    LEU  32           HN       LEU  32  -9.674  -1.933   5.260
  209    HA   LEU  32           HA       LEU  32  -9.114  -4.780   5.459
  210   1HB   LEU  32          HB2       LEU  32  -9.977  -2.685   7.548
  211   2HB   LEU  32          HB1       LEU  32  -9.760  -4.425   7.895
  212    HG   LEU  32           HG       LEU  32  -7.860  -3.257   8.705
  213   1HD1  LEU  32          HD11      LEU  32  -7.458  -5.511   7.741
  214   2HD1  LEU  32          HD12      LEU  32  -6.000  -4.464   7.623
  215   3HD1  LEU  32          HD13      LEU  32  -7.003  -4.776   6.160
  216   1HD2  LEU  32          HD21      LEU  32  -7.235  -2.111   5.910
  217   2HD2  LEU  32          HD22      LEU  32  -6.272  -1.917   7.416
  218   3HD2  LEU  32          HD23      LEU  32  -7.919  -1.196   7.311
  219   1HN   NH2  33          H1        NH2  33 -12.558  -5.208   4.420
  220   2HN   NH2  33          H2        NH2  33 -10.951  -4.978   3.769
  Start of MODEL    6
    1   1H    ASP   1          HT1       ASP   1   7.247   9.451   1.620
    2   2H    ASP   1          HT2       ASP   1   8.083   8.279   0.827
    3   3H    ASP   1          HT3       ASP   1   6.627   7.959   1.477
    4    HA   ASP   1           HA       ASP   1   7.070   9.880  -0.687
    5   1HB   ASP   1          HB2       ASP   1   5.701   7.091  -0.732
    6   2HB   ASP   1          HB1       ASP   1   5.658   8.276  -2.098
    7    H    ASP   2           HN       ASP   2   4.055   8.786  -1.158
    8    HA   ASP   2           HA       ASP   2   2.876  10.553   0.880
    9   1HB   ASP   2          HB2       ASP   2   1.925   9.869  -1.984
   10   2HB   ASP   2          HB1       ASP   2   0.979  10.835  -0.778
   11    H    CYS   3           HN       CYS   3   0.736   8.591  -1.020
   12    HA   CYS   3           HA       CYS   3   1.001   6.382   0.860
   13   1HB   CYS   3          HB2       CYS   3  -1.349   6.008   1.039
   14   2HB   CYS   3          HB1       CYS   3  -1.078   7.703   1.510
   15    H    ILE   4           HN       ILE   4  -0.449   4.572  -0.404
   16    HA   ILE   4           HA       ILE   4   0.451   4.663  -3.195
   17    HB   ILE   4           HB       ILE   4   0.050   2.193  -1.439
   18   1HG1  ILE   4          HG12      ILE   4   2.639   3.643  -2.284
   19   2HG1  ILE   4          HG11      ILE   4   1.980   3.557  -0.616
   20   1HG2  ILE   4          HG21      ILE   4   1.197   1.059  -3.390
   21   2HG2  ILE   4          HG22      ILE   4   1.250   2.612  -4.277
   22   3HG2  ILE   4          HG23      ILE   4  -0.328   1.816  -3.897
   23   1HD1  ILE   4          HD11      ILE   4   2.274   1.059  -0.621
   24   2HD1  ILE   4          HD12      ILE   4   3.821   1.949  -0.852
   25   3HD1  ILE   4          HD13      ILE   4   3.028   1.166  -2.260
   26    H    LYS   5           HN       LYS   5  -1.196   3.705  -4.638
   27    HA   LYS   5           HA       LYS   5  -3.567   5.105  -4.017
   28   1HB   LYS   5          HB2       LYS   5  -2.522   5.210  -6.284
   29   2HB   LYS   5          HB1       LYS   5  -2.745   3.434  -6.464
   30   1HG   LYS   5          HG2       LYS   5  -4.407   4.552  -7.807
   31   2HG   LYS   5          HG1       LYS   5  -5.232   3.744  -6.443
   32   1HD   LYS   5          HD2       LYS   5  -5.204   6.087  -5.260
   33   2HD   LYS   5          HD1       LYS   5  -4.627   6.745  -6.817
   34   1HE   LYS   5          HE2       LYS   5  -7.084   7.050  -6.593
   35   2HE   LYS   5          HE1       LYS   5  -6.734   5.897  -7.947
   36   1HZ   LYS   5          HZ1       LYS   5  -7.259   4.116  -6.437
   37   2HZ   LYS   5          HZ2       LYS   5  -8.504   5.154  -6.559
   38   3HZ   LYS   5          HZ3       LYS   5  -7.572   5.153  -5.227
   39    HA   HYP   6           HA       HYP   6  -5.679   1.407  -2.736
   40   1HB   HYP   6          HB1       HYP   6  -8.008   1.924  -2.248
   41   2HB   HYP   6          HB2       HYP   6  -8.123   2.997  -3.697
   42   1HD   HYP   6          HD1       HYP   6  -6.319   5.027  -3.814
   43   2HD   HYP   6          HD2       HYP   6  -5.080   4.966  -2.496
   44    HOD  HYP   6           HOD      HYP   6  -6.614   2.587  -0.674
   45    HG   HYP   6           HG       HYP   6  -7.709   4.611  -1.829
   46    H    TYR   7           HN       TYR   7  -5.918  -0.518  -3.850
   47    HA   TYR   7           HA       TYR   7  -6.055  -1.933  -5.362
   48   1HB   TYR   7          HB2       TYR   7  -7.808  -0.072  -7.043
   49   2HB   TYR   7          HB1       TYR   7  -7.538  -1.836  -7.341
   50    HD1  TYR   7           HD1      TYR   7  -8.099  -3.485  -5.411
   51    HD2  TYR   7           HD2      TYR   7  -9.404   0.610  -5.446
   52    HE1  TYR   7           HE1      TYR   7  -9.768  -4.007  -3.681
   53    HE2  TYR   7           HE2      TYR   7 -11.079   0.095  -3.708
   54    HH   TYR   7           HH       TYR   7 -11.479  -3.185  -2.358
   55    H    GLY   8           HN       GLY   8  -4.005   0.409  -5.393
   56   1HA   GLY   8          HA2       GLY   8  -2.806  -0.277  -7.969
   57   2HA   GLY   8          HA1       GLY   8  -2.251   0.902  -6.695
   58    H    PHE   9           HN       PHE   9  -0.356  -0.991  -7.597
   59    HA   PHE   9           HA       PHE   9  -0.393  -3.202  -5.736
   60   1HB   PHE   9          HB2       PHE   9   1.938  -3.675  -6.845
   61   2HB   PHE   9          HB1       PHE   9   0.456  -3.955  -7.816
   62    HD1  PHE   9           HD1      PHE   9   3.320  -1.604  -7.305
   63    HD2  PHE   9           HD2      PHE   9  -0.098  -2.609  -9.718
   64    HE1  PHE   9           HE1      PHE   9   4.055   0.008  -9.033
   65    HE2  PHE   9           HE2      PHE   9   0.634  -0.985 -11.428
   66    HZ   PHE   9           HZ       PHE   9   2.715   0.319 -11.094
   67    H    CYS  10           HN       CYS  10   1.468  -3.498  -4.182
   68    HA   CYS  10           HA       CYS  10   2.791  -1.030  -3.471
   69   1HB   CYS  10          HB2       CYS  10   1.921  -1.240  -1.060
   70   2HB   CYS  10          HB1       CYS  10   0.704  -0.715  -2.241
   71    H    SER  11           HN       SER  11   3.811  -1.950  -1.006
   72    HA   SER  11           HA       SER  11   4.632  -4.604  -1.202
   73   1HB   SER  11          HB2       SER  11   7.128  -3.934  -1.008
   74   2HB   SER  11          HB1       SER  11   6.453  -3.675  -2.659
   75    HG   SER  11           HG       SER  11   7.573  -1.881  -2.091
   76    H    LEU  12           HN       LEU  12   6.195  -4.434   1.080
   77    HA   LEU  12           HA       LEU  12   4.758  -2.561   2.834
   78   1HB   LEU  12          HB2       LEU  12   6.061  -5.288   3.515
   79   2HB   LEU  12          HB1       LEU  12   5.410  -4.105   4.686
   80    HG   LEU  12           HG       LEU  12   3.865  -5.875   4.536
   81   1HD1  LEU  12          HD11      LEU  12   2.640  -3.636   2.810
   82   2HD1  LEU  12          HD12      LEU  12   2.848  -3.577   4.599
   83   3HD1  LEU  12          HD13      LEU  12   1.756  -4.812   3.856
   84   1HD2  LEU  12          HD21      LEU  12   3.638  -5.634   1.477
   85   2HD2  LEU  12          HD22      LEU  12   2.797  -6.794   2.561
   86   3HD2  LEU  12          HD23      LEU  12   4.585  -6.897   2.359
   87    HA   PRO  13           HA       PRO  13   9.226  -1.597   2.687
   88   1HB   PRO  13          HB2       PRO  13   8.973   1.109   3.466
   89   2HB   PRO  13          HB1       PRO  13   8.949   0.519   1.761
   90   1HG   PRO  13          HG1       PRO  13   6.518   1.143   3.529
   91   2HG   PRO  13          HG2       PRO  13   6.811   1.606   1.799
   92   1HD   PRO  13          HD1       PRO  13   5.264  -0.546   2.571
   93   2HD   PRO  13          HD2       PRO  13   6.312  -0.648   1.082
   94    H    ILE  14           HN       ILE  14  10.604  -1.509   4.550
   95    HA   ILE  14           HA       ILE  14   9.257  -2.525   6.839
   96    HB   ILE  14           HB       ILE  14  11.140  -3.729   6.186
   97   1HG1  ILE  14          HG12      ILE  14  12.100  -2.079   8.602
   98   2HG1  ILE  14          HG11      ILE  14  10.761  -3.275   8.674
   99   1HG2  ILE  14          HG21      ILE  14  12.311  -2.014   4.777
  100   2HG2  ILE  14          HG22      ILE  14  13.424  -2.826   5.902
  101   3HG2  ILE  14          HG23      ILE  14  12.867  -1.165   6.275
  102   1HD1  ILE  14          HD11      ILE  14  13.690  -3.886   7.895
  103   2HD1  ILE  14          HD12      ILE  14  12.329  -5.079   7.879
  104   3HD1  ILE  14          HD13      ILE  14  12.856  -4.325   9.431
  105    H    LEU  15           HN       LEU  15  11.325   0.328   6.108
  106    HA   LEU  15           HA       LEU  15  10.191   1.661   8.468
  107   1HB   LEU  15          HB2       LEU  15  12.194   2.706   6.356
  108   2HB   LEU  15          HB1       LEU  15  11.518   3.655   7.724
  109    HG   LEU  15           HG       LEU  15  13.400   1.227   7.895
  110   1HD1  LEU  15          HD11      LEU  15  15.057   2.844   8.749
  111   2HD1  LEU  15          HD12      LEU  15  13.861   4.187   8.660
  112   3HD1  LEU  15          HD13      LEU  15  14.443   3.399   7.145
  113   1HD2  LEU  15          HD21      LEU  15  12.154   2.872  10.200
  114   2HD2  LEU  15          HD22      LEU  15  13.511   1.707  10.372
  115   3HD2  LEU  15          HD23      LEU  15  11.898   1.116   9.854
  116    H    LYS  16           HN       LYS  16   8.101   1.874   7.883
  117    HA   LYS  16           HA       LYS  16   7.129   1.789   5.387
  118   1HB   LYS  16          HB2       LYS  16   5.722   3.207   7.703
  119   2HB   LYS  16          HB1       LYS  16   4.969   2.577   6.201
  120   1HG   LYS  16          HG2       LYS  16   5.964   0.245   6.915
  121   2HG   LYS  16          HG1       LYS  16   6.268   1.008   8.511
  122   1HD   LYS  16          HD2       LYS  16   4.206  -0.150   8.718
  123   2HD   LYS  16          HD1       LYS  16   3.763   1.592   8.600
  124   1HE   LYS  16          HE2       LYS  16   3.176   1.219   6.137
  125   2HE   LYS  16          HE1       LYS  16   3.611  -0.525   6.331
  126   1HZ   LYS  16          HZ1       LYS  16   1.494   0.889   7.799
  127   2HZ   LYS  16          HZ2       LYS  16   1.879  -0.683   7.965
  128   3HZ   LYS  16          HZ3       LYS  16   1.282  -0.134   6.554
  129    H    ASN  17           HN       ASN  17   7.651   3.092   3.725
  130    HA   ASN  17           HA       ASN  17   7.977   5.936   4.219
  131   1HB   ASN  17          HB2       ASN  17   9.588   4.322   2.761
  132   2HB   ASN  17          HB1       ASN  17   8.392   4.634   1.463
  133   1HD2  ASN  17          HD21      ASN  17  10.480   6.270   3.955
  134   2HD2  ASN  17          HD22      ASN  17  10.821   7.689   3.018
  135    H    GLY  18           HN       GLY  18   5.424   3.717   3.357
  136   1HA   GLY  18          HA2       GLY  18   3.761   5.817   2.766
  137   2HA   GLY  18          HA1       GLY  18   4.138   4.784   1.289
  138    H    LEU  19           HN       LEU  19   1.575   4.381   2.242
  139    HA   LEU  19           HA       LEU  19   1.531   1.737   3.039
  140   1HB   LEU  19          HB2       LEU  19  -0.387   2.384   4.792
  141   2HB   LEU  19          HB1       LEU  19   1.282   2.223   5.378
  142    HG   LEU  19           HG       LEU  19   0.581   5.005   4.494
  143   1HD1  LEU  19          HD11      LEU  19  -1.611   4.405   5.428
  144   2HD1  LEU  19          HD12      LEU  19  -0.751   5.542   6.519
  145   3HD1  LEU  19          HD13      LEU  19  -0.839   3.787   6.942
  146   1HD2  LEU  19          HD21      LEU  19   1.789   5.605   6.570
  147   2HD2  LEU  19          HD22      LEU  19   2.745   4.376   5.665
  148   3HD2  LEU  19          HD23      LEU  19   1.795   3.889   7.112
  149    H    CYS  20           HN       CYS  20  -1.204   1.574   2.849
  150    HA   CYS  20           HA       CYS  20  -1.610   3.027   0.361
  151   1HB   CYS  20          HB2       CYS  20  -3.341   0.929   1.768
  152   2HB   CYS  20          HB1       CYS  20  -3.630   1.613   0.138
  153    H    CYS  21           HN       CYS  21  -3.602   4.408   0.081
  154    HA   CYS  21           HA       CYS  21  -3.968   5.973   2.411
  155   1HB   CYS  21          HB2       CYS  21  -5.129   6.046  -0.391
  156   2HB   CYS  21          HB1       CYS  21  -6.023   6.893   0.902
  157    H    SER  22           HN       SER  22  -5.872   3.364   0.949
  158    HA   SER  22           HA       SER  22  -7.919   3.558   2.960
  159   1HB   SER  22          HB2       SER  22  -8.711   1.365   1.839
  160   2HB   SER  22          HB1       SER  22  -8.661   2.823   0.791
  161    HG   SER  22           HG       SER  22  -7.060   0.529   0.802
  162    H    GLY  23           HN       GLY  23  -4.745   2.733   3.406
  163   1HA   GLY  23          HA2       GLY  23  -4.085   1.928   5.373
  164   2HA   GLY  23          HA1       GLY  23  -5.583   0.949   5.554
  165    H    ALA  24           HN       ALA  24  -5.775  -0.922   3.865
  166    HA   ALA  24           HA       ALA  24  -3.462  -2.402   4.651
  167   1HB   ALA  24          HB1       ALA  24  -5.700  -3.457   4.864
  168   2HB   ALA  24          HB2       ALA  24  -4.658  -4.427   3.769
  169   3HB   ALA  24          HB3       ALA  24  -5.933  -3.350   3.083
  170    H    CYS  25           HN       CYS  25  -2.050  -3.696   3.353
  171    HA   CYS  25           HA       CYS  25  -2.045  -3.253   0.494
  172   1HB   CYS  25          HB2       CYS  25  -0.062  -1.930   1.425
  173   2HB   CYS  25          HB1       CYS  25   0.339  -3.307   2.486
  174    H    VAL  26           HN       VAL  26  -2.191  -5.381  -0.317
  175    HA   VAL  26           HA       VAL  26  -1.149  -7.571   1.266
  176    HB   VAL  26           HB       VAL  26  -3.366  -7.407   2.181
  177   1HG1  VAL  26          HG11      VAL  26  -4.451  -7.349  -0.710
  178   2HG1  VAL  26          HG12      VAL  26  -4.453  -5.986   0.463
  179   3HG1  VAL  26          HG13      VAL  26  -5.432  -7.443   0.799
  180   1HG2  VAL  26          HG21      VAL  26  -3.259  -9.712   0.127
  181   2HG2  VAL  26          HG22      VAL  26  -4.236  -9.643   1.638
  182   3HG2  VAL  26          HG23      VAL  26  -2.436  -9.673   1.727
  183    H    GLY  27           HN       GLY  27   0.083  -6.346  -0.655
  184   1HA   GLY  27          HA2       GLY  27   1.175  -7.062  -2.543
  185   2HA   GLY  27          HA1       GLY  27  -0.270  -8.045  -3.033
  186    H    VAL  28           HN       VAL  28  -2.337  -6.529  -2.993
  187    HA   VAL  28           HA       VAL  28  -1.706  -4.032  -4.420
  188    HB   VAL  28           HB       VAL  28  -4.124  -3.987  -5.054
  189   1HG1  VAL  28          HG11      VAL  28  -2.434  -6.373  -6.072
  190   2HG1  VAL  28          HG12      VAL  28  -2.300  -4.662  -6.620
  191   3HG1  VAL  28          HG13      VAL  28  -3.808  -5.594  -6.943
  192   1HG2  VAL  28          HG21      VAL  28  -5.436  -6.091  -4.927
  193   2HG2  VAL  28          HG22      VAL  28  -4.956  -5.601  -3.269
  194   3HG2  VAL  28          HG23      VAL  28  -4.088  -6.948  -4.108
  195    H    CYS  29           HN       CYS  29  -2.997  -2.191  -3.711
  196    HA   CYS  29           HA       CYS  29  -3.270  -2.119  -0.829
  197   1HB   CYS  29          HB2       CYS  29  -3.900  -0.159  -3.102
  198   2HB   CYS  29          HB1       CYS  29  -4.288   0.223  -1.393
  199    H    ALA  30           HN       ALA  30  -5.256  -2.136   0.325
  200    HA   ALA  30           HA       ALA  30  -7.687  -2.267  -1.289
  201   1HB   ALA  30          HB1       ALA  30  -6.875  -4.708  -1.112
  202   2HB   ALA  30          HB2       ALA  30  -8.440  -4.428  -0.290
  203   3HB   ALA  30          HB3       ALA  30  -6.919  -4.534   0.676
  204    H    ASP  31           HN       ASP  31  -9.313  -3.103   0.821
  205    HA   ASP  31           HA       ASP  31  -8.856  -1.103   2.907
  206   1HB   ASP  31          HB2       ASP  31 -11.278  -1.314   3.441
  207   2HB   ASP  31          HB1       ASP  31 -11.055  -0.784   1.745
  208    H    LEU  32           HN       LEU  32 -10.332  -2.473   5.015
  209    HA   LEU  32           HA       LEU  32  -9.635  -5.167   4.959
  210   1HB   LEU  32          HB2       LEU  32  -7.526  -3.578   5.905
  211   2HB   LEU  32          HB1       LEU  32  -8.550  -3.591   7.368
  212    HG   LEU  32           HG       LEU  32  -8.395  -6.082   7.456
  213   1HD1  LEU  32          HD11      LEU  32  -6.586  -5.849   4.956
  214   2HD1  LEU  32          HD12      LEU  32  -8.181  -6.670   5.035
  215   3HD1  LEU  32          HD13      LEU  32  -6.795  -7.328   5.963
  216   1HD2  LEU  32          HD21      LEU  32  -5.652  -4.691   7.148
  217   2HD2  LEU  32          HD22      LEU  32  -5.976  -6.210   8.068
  218   3HD2  LEU  32          HD23      LEU  32  -6.702  -4.655   8.613
  219   1HN   NH2  33          H1        NH2  33 -10.880  -5.859   7.133
  220   2HN   NH2  33          H2        NH2  33 -12.166  -4.797   7.595
  Start of MODEL    7
    1   1H    ASP   1          HT1       ASP   1   2.361  10.544   3.033
    2   2H    ASP   1          HT2       ASP   1   1.819  12.068   3.153
    3   3H    ASP   1          HT3       ASP   1   2.892  11.506   4.252
    4    HA   ASP   1           HA       ASP   1   3.907  12.999   2.619
    5   1HB   ASP   1          HB2       ASP   1   4.744   9.991   2.407
    6   2HB   ASP   1          HB1       ASP   1   5.700  11.353   1.705
    7    H    ASP   2           HN       ASP   2   4.105  10.134   0.597
    8    HA   ASP   2           HA       ASP   2   1.749  10.948  -0.957
    9   1HB   ASP   2          HB2       ASP   2   3.866   8.753  -1.476
   10   2HB   ASP   2          HB1       ASP   2   2.461   9.117  -2.548
   11    H    CYS   3           HN       CYS   3   1.090   8.092  -1.547
   12    HA   CYS   3           HA       CYS   3   1.166   6.612   0.767
   13   1HB   CYS   3          HB2       CYS   3  -1.260   6.163   1.004
   14   2HB   CYS   3          HB1       CYS   3  -0.952   7.879   1.394
   15    H    ILE   4           HN       ILE   4  -0.277   4.546  -0.279
   16    HA   ILE   4           HA       ILE   4   0.421   4.537  -3.132
   17    HB   ILE   4           HB       ILE   4   0.008   2.148  -1.293
   18   1HG1  ILE   4          HG12      ILE   4   2.659   3.426  -2.212
   19   2HG1  ILE   4          HG11      ILE   4   1.997   3.486  -0.552
   20   1HG2  ILE   4          HG21      ILE   4  -0.417   1.769  -3.772
   21   2HG2  ILE   4          HG22      ILE   4   1.041   0.913  -3.224
   22   3HG2  ILE   4          HG23      ILE   4   1.218   2.446  -4.144
   23   1HD1  ILE   4          HD11      ILE   4   2.066   0.957  -0.441
   24   2HD1  ILE   4          HD12      ILE   4   3.677   1.751  -0.590
   25   3HD1  ILE   4          HD13      ILE   4   2.938   0.963  -2.029
   26    H    LYS   5           HN       LYS   5  -1.321   3.608  -4.470
   27    HA   LYS   5           HA       LYS   5  -3.658   5.046  -3.714
   28   1HB   LYS   5          HB2       LYS   5  -2.400   5.236  -5.967
   29   2HB   LYS   5          HB1       LYS   5  -2.929   3.558  -6.325
   30   1HG   LYS   5          HG2       LYS   5  -4.339   5.052  -7.547
   31   2HG   LYS   5          HG1       LYS   5  -5.350   4.374  -6.235
   32   1HD   LYS   5          HD2       LYS   5  -5.000   6.521  -4.918
   33   2HD   LYS   5          HD1       LYS   5  -3.969   7.138  -6.255
   34   1HE   LYS   5          HE2       LYS   5  -5.942   6.996  -7.831
   35   2HE   LYS   5          HE1       LYS   5  -6.976   6.411  -6.465
   36   1HZ   LYS   5          HZ1       LYS   5  -7.175   8.752  -6.838
   37   2HZ   LYS   5          HZ2       LYS   5  -5.590   9.003  -6.574
   38   3HZ   LYS   5          HZ3       LYS   5  -6.544   8.483  -5.364
   39    HA   HYP   6           HA       HYP   6  -5.734   1.278  -2.751
   40   1HB   HYP   6          HB1       HYP   6  -8.036   1.716  -2.222
   41   2HB   HYP   6          HB2       HYP   6  -8.305   2.538  -3.806
   42   1HD   HYP   6          HD1       HYP   6  -6.712   4.623  -4.319
   43   2HD   HYP   6          HD2       HYP   6  -5.602   5.103  -2.962
   44    HOD  HYP   6           HOD      HYP   6  -6.688   2.748  -0.854
   45    HG   HYP   6           HG       HYP   6  -8.124   4.458  -2.265
   46    H    TYR   7           HN       TYR   7  -6.013  -0.708  -3.875
   47    HA   TYR   7           HA       TYR   7  -6.059  -2.092  -5.444
   48   1HB   TYR   7          HB2       TYR   7  -7.709  -0.189  -7.185
   49   2HB   TYR   7          HB1       TYR   7  -7.498  -1.965  -7.439
   50    HD1  TYR   7           HD1      TYR   7  -8.068  -3.475  -5.308
   51    HD2  TYR   7           HD2      TYR   7  -9.559   0.509  -5.925
   52    HE1  TYR   7           HE1      TYR   7  -9.900  -3.918  -3.717
   53    HE2  TYR   7           HE2      TYR   7 -11.392   0.075  -4.344
   54    HH   TYR   7           HH       TYR   7 -12.348  -1.432  -2.917
   55    H    GLY   8           HN       GLY   8  -4.040   0.297  -5.411
   56   1HA   GLY   8          HA2       GLY   8  -2.805  -0.302  -7.999
   57   2HA   GLY   8          HA1       GLY   8  -2.351   0.957  -6.761
   58    H    PHE   9           HN       PHE   9  -0.352  -0.868  -7.663
   59    HA   PHE   9           HA       PHE   9  -0.309  -3.121  -5.895
   60   1HB   PHE   9          HB2       PHE   9   1.960  -2.016  -7.678
   61   2HB   PHE   9          HB1       PHE   9   1.874  -3.659  -6.937
   62    HD1  PHE   9           HD1      PHE   9   0.955  -1.603  -9.784
   63    HD2  PHE   9           HD2      PHE   9  -0.080  -5.193  -7.645
   64    HE1  PHE   9           HE1      PHE   9  -0.304  -2.412 -11.746
   65    HE2  PHE   9           HE2      PHE   9  -1.328  -6.001  -9.623
   66    HZ   PHE   9           HZ       PHE   9  -1.437  -4.615 -11.676
   67    H    CYS  10           HN       CYS  10   1.118  -3.379  -4.046
   68    HA   CYS  10           HA       CYS  10   2.452  -0.872  -3.247
   69   1HB   CYS  10          HB2       CYS  10   2.077  -1.577  -0.835
   70   2HB   CYS  10          HB1       CYS  10   0.661  -0.974  -1.729
   71    H    SER  11           HN       SER  11   4.143  -1.519  -1.404
   72    HA   SER  11           HA       SER  11   5.595  -3.651  -1.237
   73   1HB   SER  11          HB2       SER  11   7.604  -3.014  -2.806
   74   2HB   SER  11          HB1       SER  11   6.241  -3.837  -3.622
   75    HG   SER  11           HG       SER  11   5.571  -2.013  -4.486
   76    H    LEU  12           HN       LEU  12   7.989  -1.472  -1.535
   77    HA   LEU  12           HA       LEU  12   6.700   0.688  -0.012
   78   1HB   LEU  12          HB2       LEU  12   9.602  -0.238   0.352
   79   2HB   LEU  12          HB1       LEU  12   8.790   1.143   1.160
   80    HG   LEU  12           HG       LEU  12   8.151  -1.853   1.514
   81   1HD1  LEU  12          HD11      LEU  12   9.544   0.102   3.455
   82   2HD1  LEU  12          HD12      LEU  12  10.348  -1.189   2.489
   83   3HD1  LEU  12          HD13      LEU  12   9.161  -1.629   3.769
   84   1HD2  LEU  12          HD21      LEU  12   6.925   0.553   3.007
   85   2HD2  LEU  12          HD22      LEU  12   6.728  -1.174   3.471
   86   3HD2  LEU  12          HD23      LEU  12   6.068  -0.583   1.912
   87    HA   PRO  13           HA       PRO  13   9.106   2.285  -3.539
   88   1HB   PRO  13          HB2       PRO  13   7.236   2.128  -5.519
   89   2HB   PRO  13          HB1       PRO  13   7.546   0.617  -4.578
   90   1HG   PRO  13          HG1       PRO  13   5.220   2.580  -4.259
   91   2HG   PRO  13          HG2       PRO  13   5.210   0.769  -4.198
   92   1HD   PRO  13          HD1       PRO  13   5.505   2.657  -1.975
   93   2HD   PRO  13          HD2       PRO  13   5.597   0.862  -1.908
   94    H    ILE  14           HN       ILE  14   7.895   4.138  -1.535
   95    HA   ILE  14           HA       ILE  14   7.575   6.415  -3.369
   96    HB   ILE  14           HB       ILE  14   6.026   7.497  -1.642
   97   1HG1  ILE  14          HG12      ILE  14   5.476   4.523  -0.963
   98   2HG1  ILE  14          HG11      ILE  14   6.130   5.758   0.166
   99   1HG2  ILE  14          HG21      ILE  14   4.077   6.672  -2.958
  100   2HG2  ILE  14          HG22      ILE  14   5.016   5.218  -3.470
  101   3HG2  ILE  14          HG23      ILE  14   5.511   6.860  -4.010
  102   1HD1  ILE  14          HD11      ILE  14   3.704   5.390   0.557
  103   2HD1  ILE  14          HD12      ILE  14   3.333   5.824  -1.139
  104   3HD1  ILE  14          HD13      ILE  14   4.006   7.066  -0.015
  105    H    LEU  15           HN       LEU  15   8.060   5.384   0.062
  106    HA   LEU  15           HA       LEU  15  10.671   6.631  -0.164
  107   1HB   LEU  15          HB2       LEU  15   8.944   6.520   2.415
  108   2HB   LEU  15          HB1       LEU  15  10.689   6.945   2.347
  109    HG   LEU  15           HG       LEU  15   9.513   8.918   2.739
  110   1HD1  LEU  15          HD11      LEU  15  10.203  10.388   0.892
  111   2HD1  LEU  15          HD12      LEU  15  10.299   9.002  -0.246
  112   3HD1  LEU  15          HD13      LEU  15  11.439   9.106   1.149
  113   1HD2  LEU  15          HD21      LEU  15   7.234   8.240   1.942
  114   2HD2  LEU  15          HD22      LEU  15   7.748   8.574   0.244
  115   3HD2  LEU  15          HD23      LEU  15   7.720   9.905   1.449
  116    H    LYS  16           HN       LYS  16  11.479   5.215   2.222
  117    HA   LYS  16           HA       LYS  16  10.973   2.449   1.431
  118   1HB   LYS  16          HB2       LYS  16  13.003   3.673   3.378
  119   2HB   LYS  16          HB1       LYS  16  12.883   1.924   3.008
  120   1HG   LYS  16          HG2       LYS  16  13.391   3.967   0.754
  121   2HG   LYS  16          HG1       LYS  16  14.700   3.445   1.851
  122   1HD   LYS  16          HD2       LYS  16  14.806   2.149  -0.183
  123   2HD   LYS  16          HD1       LYS  16  14.451   1.099   1.224
  124   1HE   LYS  16          HE2       LYS  16  13.206   0.406  -0.833
  125   2HE   LYS  16          HE1       LYS  16  12.072   0.861   0.491
  126   1HZ   LYS  16          HZ1       LYS  16  11.421   1.761  -1.595
  127   2HZ   LYS  16          HZ2       LYS  16  12.830   2.551  -1.797
  128   3HZ   LYS  16          HZ3       LYS  16  11.814   2.984  -0.598
  129    H    ASN  17           HN       ASN  17   8.844   4.048   2.557
  130    HA   ASN  17           HA       ASN  17   8.030   2.027   4.180
  131   1HB   ASN  17          HB2       ASN  17   7.033   3.194   6.049
  132   2HB   ASN  17          HB1       ASN  17   8.781   3.555   6.129
  133   1HD2  ASN  17          HD22      ASN  17   9.326   5.768   4.814
  134   2HD2  ASN  17          HD21      ASN  17   8.264   7.093   5.208
  135    H    GLY  18           HN       GLY  18   5.387   2.551   4.017
  136   1HA   GLY  18          HA2       GLY  18   4.611   4.616   2.426
  137   2HA   GLY  18          HA1       GLY  18   4.822   3.053   1.465
  138    H    LEU  19           HN       LEU  19   2.087   3.925   2.136
  139    HA   LEU  19           HA       LEU  19   1.280   1.729   3.703
  140   1HB   LEU  19          HB2       LEU  19   0.482   4.659   4.406
  141   2HB   LEU  19          HB1       LEU  19  -0.392   3.204   4.988
  142    HG   LEU  19           HG       LEU  19   2.515   3.933   5.689
  143   1HD1  LEU  19          HD11      LEU  19  -0.058   4.218   7.368
  144   2HD1  LEU  19          HD12      LEU  19   0.920   5.563   6.664
  145   3HD1  LEU  19          HD13      LEU  19   1.625   4.511   7.948
  146   1HD2  LEU  19          HD21      LEU  19   2.311   2.168   7.453
  147   2HD2  LEU  19          HD22      LEU  19   2.159   1.471   5.806
  148   3HD2  LEU  19          HD23      LEU  19   0.685   1.713   6.818
  149    H    CYS  20           HN       CYS  20  -1.163   1.684   3.081
  150    HA   CYS  20           HA       CYS  20  -1.468   2.885   0.431
  151   1HB   CYS  20          HB2       CYS  20  -3.150   0.831   1.975
  152   2HB   CYS  20          HB1       CYS  20  -3.561   1.476   0.364
  153    H    CYS  21           HN       CYS  21  -3.306   4.333   0.068
  154    HA   CYS  21           HA       CYS  21  -3.862   5.948   2.316
  155   1HB   CYS  21          HB2       CYS  21  -4.775   5.903  -0.564
  156   2HB   CYS  21          HB1       CYS  21  -5.893   6.683   0.580
  157    H    SER  22           HN       SER  22  -5.641   3.182   0.947
  158    HA   SER  22           HA       SER  22  -7.892   3.657   2.672
  159   1HB   SER  22          HB2       SER  22  -8.626   1.426   1.560
  160   2HB   SER  22          HB1       SER  22  -8.443   2.848   0.505
  161    HG   SER  22           HG       SER  22  -6.918   0.529   0.696
  162    H    GLY  23           HN       GLY  23  -4.768   2.505   3.178
  163   1HA   GLY  23          HA2       GLY  23  -4.280   2.014   5.346
  164   2HA   GLY  23          HA1       GLY  23  -5.739   0.964   5.490
  165    H    ALA  24           HN       ALA  24  -5.753  -0.967   3.904
  166    HA   ALA  24           HA       ALA  24  -3.374  -2.311   4.817
  167   1HB   ALA  24          HB1       ALA  24  -5.611  -3.382   5.199
  168   2HB   ALA  24          HB2       ALA  24  -4.544  -4.432   4.205
  169   3HB   ALA  24          HB3       ALA  24  -5.855  -3.478   3.415
  170    H    CYS  25           HN       CYS  25  -2.104  -3.822   3.498
  171    HA   CYS  25           HA       CYS  25  -2.030  -3.244   0.649
  172   1HB   CYS  25          HB2       CYS  25  -0.031  -2.069   1.635
  173   2HB   CYS  25          HB1       CYS  25   0.252  -3.443   2.737
  174    H    VAL  26           HN       VAL  26  -2.261  -5.289  -0.322
  175    HA   VAL  26           HA       VAL  26  -1.543  -7.651   1.220
  176    HB   VAL  26           HB       VAL  26  -3.918  -7.181   1.707
  177   1HG1  VAL  26          HG11      VAL  26  -4.377  -7.259  -1.348
  178   2HG1  VAL  26          HG12      VAL  26  -4.513  -5.817  -0.276
  179   3HG1  VAL  26          HG13      VAL  26  -5.643  -7.195  -0.077
  180   1HG2  VAL  26          HG21      VAL  26  -3.582  -9.611  -0.161
  181   2HG2  VAL  26          HG22      VAL  26  -4.847  -9.374   1.095
  182   3HG2  VAL  26          HG23      VAL  26  -3.121  -9.532   1.583
  183    H    GLY  27           HN       GLY  27  -0.127  -6.150  -0.690
  184   1HA   GLY  27          HA2       GLY  27   1.171  -6.889  -2.447
  185   2HA   GLY  27          HA1       GLY  27  -0.181  -7.938  -3.037
  186    H    VAL  28           HN       VAL  28  -2.325  -6.419  -3.067
  187    HA   VAL  28           HA       VAL  28  -1.660  -3.926  -4.489
  188    HB   VAL  28           HB       VAL  28  -4.084  -3.817  -5.078
  189   1HG1  VAL  28          HG11      VAL  28  -2.348  -4.548  -6.689
  190   2HG1  VAL  28          HG12      VAL  28  -3.881  -5.449  -6.960
  191   3HG1  VAL  28          HG13      VAL  28  -2.498  -6.257  -6.128
  192   1HG2  VAL  28          HG21      VAL  28  -5.460  -5.889  -4.930
  193   2HG2  VAL  28          HG22      VAL  28  -4.970  -5.356  -3.289
  194   3HG2  VAL  28          HG23      VAL  28  -4.143  -6.758  -4.073
  195    H    CYS  29           HN       CYS  29  -2.989  -2.073  -3.701
  196    HA   CYS  29           HA       CYS  29  -3.252  -2.140  -0.803
  197   1HB   CYS  29          HB2       CYS  29  -3.930  -0.065  -2.954
  198   2HB   CYS  29          HB1       CYS  29  -4.272   0.211  -1.214
  199    H    ALA  30           HN       ALA  30  -5.210  -2.150   0.366
  200    HA   ALA  30           HA       ALA  30  -7.672  -2.199  -1.161
  201   1HB   ALA  30          HB1       ALA  30  -8.437  -4.410  -0.296
  202   2HB   ALA  30          HB2       ALA  30  -6.860  -4.640   0.567
  203   3HB   ALA  30          HB3       ALA  30  -6.932  -4.643  -1.231
  204    H    ASP  31           HN       ASP  31  -8.997  -3.459   1.269
  205    HA   ASP  31           HA       ASP  31  -8.369  -2.239   3.575
  206   1HB   ASP  31          HB2       ASP  31 -10.414  -0.706   3.793
  207   2HB   ASP  31          HB1       ASP  31  -9.141  -0.025   2.769
  208    H    LEU  32           HN       LEU  32 -10.995  -2.444   4.554
  209    HA   LEU  32           HA       LEU  32 -11.613  -5.208   3.948
  210   1HB   LEU  32          HB2       LEU  32 -12.918  -3.269   5.963
  211   2HB   LEU  32          HB1       LEU  32 -13.254  -5.015   5.785
  212    HG   LEU  32           HG       LEU  32 -11.958  -4.828   7.707
  213   1HD1  LEU  32          HD11      LEU  32  -9.886  -5.630   5.562
  214   2HD1  LEU  32          HD12      LEU  32 -11.207  -6.683   6.200
  215   3HD1  LEU  32          HD13      LEU  32  -9.899  -6.108   7.296
  216   1HD2  LEU  32          HD21      LEU  32  -9.872  -3.635   8.057
  217   2HD2  LEU  32          HD22      LEU  32 -11.103  -2.494   7.410
  218   3HD2  LEU  32          HD23      LEU  32  -9.792  -3.121   6.340
  219   1HN   NH2  33          H1        NH2  33 -12.145  -4.327   1.657
  220   2HN   NH2  33          H2        NH2  33 -13.791  -3.800   1.392
  Start of MODEL    8
    1   1H    ASP   1          HT1       ASP   1   7.066   9.708   1.924
    2   2H    ASP   1          HT2       ASP   1   7.854   8.282   1.691
    3   3H    ASP   1          HT3       ASP   1   6.326   8.298   2.239
    4    HA   ASP   1           HA       ASP   1   7.150   9.255  -0.400
    5   1HB   ASP   1          HB2       ASP   1   5.334   6.844   0.357
    6   2HB   ASP   1          HB1       ASP   1   5.696   7.388  -1.326
    7    H    ASP   2           HN       ASP   2   4.225   8.591  -1.160
    8    HA   ASP   2           HA       ASP   2   2.880  10.700   0.387
    9   1HB   ASP   2          HB2       ASP   2   2.297   9.511  -2.411
   10   2HB   ASP   2          HB1       ASP   2   1.184  10.639  -1.537
   11    H    CYS   3           HN       CYS   3   0.837   8.473  -1.366
   12    HA   CYS   3           HA       CYS   3   1.040   6.477   0.675
   13   1HB   CYS   3          HB2       CYS   3  -1.352   6.101   0.887
   14   2HB   CYS   3          HB1       CYS   3  -0.999   7.754   1.463
   15    H    ILE   4           HN       ILE   4  -0.055   4.541  -0.355
   16    HA   ILE   4           HA       ILE   4   0.428   4.598  -3.236
   17    HB   ILE   4           HB       ILE   4   0.076   2.231  -1.335
   18   1HG1  ILE   4          HG12      ILE   4   2.676   3.475  -2.460
   19   2HG1  ILE   4          HG11      ILE   4   2.099   3.662  -0.774
   20   1HG2  ILE   4          HG21      ILE   4  -0.476   1.618  -3.658
   21   2HG2  ILE   4          HG22      ILE   4   1.162   0.994  -3.308
   22   3HG2  ILE   4          HG23      ILE   4   0.979   2.472  -4.298
   23   1HD1  ILE   4          HD11      ILE   4   2.156   1.104  -0.541
   24   2HD1  ILE   4          HD12      ILE   4   3.736   1.963  -0.663
   25   3HD1  ILE   4          HD13      ILE   4   3.093   1.081  -2.093
   26    H    LYS   5           HN       LYS   5  -1.305   3.610  -4.595
   27    HA   LYS   5           HA       LYS   5  -3.630   5.088  -3.924
   28   1HB   LYS   5          HB2       LYS   5  -2.470   4.978  -6.250
   29   2HB   LYS   5          HB1       LYS   5  -3.095   3.315  -6.390
   30   1HG   LYS   5          HG2       LYS   5  -4.518   4.766  -7.691
   31   2HG   LYS   5          HG1       LYS   5  -5.441   4.170  -6.283
   32   1HD   LYS   5          HD2       LYS   5  -6.063   6.421  -6.615
   33   2HD   LYS   5          HD1       LYS   5  -5.037   6.448  -5.146
   34   1HE   LYS   5          HE2       LYS   5  -4.050   7.195  -7.995
   35   2HE   LYS   5          HE1       LYS   5  -4.721   8.378  -6.802
   36   1HZ   LYS   5          HZ1       LYS   5  -2.424   8.417  -6.643
   37   2HZ   LYS   5          HZ2       LYS   5  -2.271   6.802  -6.537
   38   3HZ   LYS   5          HZ3       LYS   5  -2.933   7.637  -5.305
   39    HA   HYP   6           HA       HYP   6  -5.823   1.416  -2.682
   40   1HB   HYP   6          HB1       HYP   6  -8.121   1.933  -2.212
   41   2HB   HYP   6          HB2       HYP   6  -8.323   2.773  -3.799
   42   1HD   HYP   6          HD1       HYP   6  -6.640   4.817  -4.255
   43   2HD   HYP   6          HD2       HYP   6  -5.495   5.187  -2.894
   44    HOD  HYP   6           HOD      HYP   6  -6.703   2.864  -0.843
   45    HG   HYP   6           HG       HYP   6  -8.065   4.670  -2.223
   46    H    TYR   7           HN       TYR   7  -5.987  -0.564  -3.777
   47    HA   TYR   7           HA       TYR   7  -5.823  -1.958  -5.299
   48   1HB   TYR   7          HB2       TYR   7  -7.856  -0.326  -6.904
   49   2HB   TYR   7          HB1       TYR   7  -7.295  -1.996  -7.328
   50    HD1  TYR   7           HD1      TYR   7  -9.329   0.000  -4.966
   51    HD2  TYR   7           HD2      TYR   7  -7.659  -3.882  -5.750
   52    HE1  TYR   7           HE1      TYR   7 -10.695  -0.957  -3.145
   53    HE2  TYR   7           HE2      TYR   7  -9.032  -4.846  -3.965
   54    HH   TYR   7           HH       TYR   7 -10.410  -4.397  -2.206
   55    H    GLY   8           HN       GLY   8  -3.959   0.378  -5.237
   56   1HA   GLY   8          HA2       GLY   8  -2.740  -0.090  -7.858
   57   2HA   GLY   8          HA1       GLY   8  -2.221   1.035  -6.528
   58    H    PHE   9           HN       PHE   9  -0.243  -0.684  -7.483
   59    HA   PHE   9           HA       PHE   9  -0.309  -3.131  -5.947
   60   1HB   PHE   9          HB2       PHE   9   0.593  -2.704  -8.456
   61   2HB   PHE   9          HB1       PHE   9   2.066  -2.102  -7.629
   62    HD1  PHE   9           HD1      PHE   9  -0.093  -5.008  -8.389
   63    HD2  PHE   9           HD2      PHE   9   3.482  -3.729  -6.364
   64    HE1  PHE   9           HE1      PHE   9   0.721  -7.342  -8.346
   65    HE2  PHE   9           HE2      PHE   9   4.286  -6.064  -6.317
   66    HZ   PHE   9           HZ       PHE   9   2.915  -7.876  -7.320
   67    H    CYS  10           HN       CYS  10   1.138  -3.469  -4.082
   68    HA   CYS  10           HA       CYS  10   2.727  -1.125  -3.323
   69   1HB   CYS  10          HB2       CYS  10   1.713  -1.151  -1.006
   70   2HB   CYS  10          HB1       CYS  10   0.561  -0.710  -2.278
   71    H    SER  11           HN       SER  11   3.649  -1.767  -0.957
   72    HA   SER  11           HA       SER  11   4.018  -4.368  -0.306
   73   1HB   SER  11          HB2       SER  11   6.672  -4.075  -0.234
   74   2HB   SER  11          HB1       SER  11   5.951  -4.639  -1.781
   75    HG   SER  11           HG       SER  11   6.347  -2.805  -2.695
   76    H    LEU  12           HN       LEU  12   6.143  -3.347   1.624
   77    HA   LEU  12           HA       LEU  12   4.908  -0.849   2.475
   78   1HB   LEU  12          HB2       LEU  12   6.080  -3.081   4.286
   79   2HB   LEU  12          HB1       LEU  12   5.794  -1.380   4.775
   80    HG   LEU  12           HG       LEU  12   3.288  -1.829   4.117
   81   1HD1  LEU  12          HD11      LEU  12   4.243  -4.736   4.611
   82   2HD1  LEU  12          HD12      LEU  12   3.521  -4.083   3.092
   83   3HD1  LEU  12          HD13      LEU  12   2.533  -4.186   4.587
   84   1HD2  LEU  12          HD21      LEU  12   4.637  -2.969   6.651
   85   2HD2  LEU  12          HD22      LEU  12   2.870  -2.653   6.475
   86   3HD2  LEU  12          HD23      LEU  12   4.030  -1.288   6.375
   87    HA   PRO  13           HA       PRO  13   9.167  -0.542   1.205
   88   1HB   PRO  13          HB2       PRO  13   9.806   2.108   1.840
   89   2HB   PRO  13          HB1       PRO  13   8.621   1.654   0.556
   90   1HG   PRO  13          HG1       PRO  13   8.002   2.385   3.465
   91   2HG   PRO  13          HG2       PRO  13   7.265   3.090   1.963
   92   1HD   PRO  13          HD1       PRO  13   6.013   1.043   3.330
   93   2HD   PRO  13          HD2       PRO  13   6.059   1.049   1.508
   94    H    ILE  14           HN       ILE  14   8.617  -1.593   3.969
   95    HA   ILE  14           HA       ILE  14   9.629  -2.371   5.651
   96    HB   ILE  14           HB       ILE  14  12.257  -1.383   4.497
   97   1HG1  ILE  14          HG12      ILE  14  11.021  -2.698   2.794
   98   2HG1  ILE  14          HG11      ILE  14  12.430  -3.587   3.423
   99   1HG2  ILE  14          HG21      ILE  14  11.443  -3.479   6.618
  100   2HG2  ILE  14          HG22      ILE  14  12.537  -2.062   6.816
  101   3HG2  ILE  14          HG23      ILE  14  13.059  -3.469   5.811
  102   1HD1  ILE  14          HD11      ILE  14   9.484  -4.090   4.248
  103   2HD1  ILE  14          HD12      ILE  14  10.919  -4.990   4.876
  104   3HD1  ILE  14          HD13      ILE  14  10.473  -5.097   3.137
  105    H    LEU  15           HN       LEU  15  11.134   0.799   5.016
  106    HA   LEU  15           HA       LEU  15  10.651   1.534   7.841
  107   1HB   LEU  15          HB2       LEU  15  11.964   3.199   5.592
  108   2HB   LEU  15          HB1       LEU  15  11.703   3.710   7.290
  109    HG   LEU  15           HG       LEU  15  13.949   3.195   7.236
  110   1HD1  LEU  15          HD11      LEU  15  12.712   1.961   9.119
  111   2HD1  LEU  15          HD12      LEU  15  14.349   1.330   8.710
  112   3HD1  LEU  15          HD13      LEU  15  12.884   0.450   8.141
  113   1HD2  LEU  15          HD21      LEU  15  14.070   2.169   4.973
  114   2HD2  LEU  15          HD22      LEU  15  13.500   0.594   5.644
  115   3HD2  LEU  15          HD23      LEU  15  15.069   1.289   6.186
  116    H    LYS  16           HN       LYS  16   8.474   1.853   8.003
  117    HA   LYS  16           HA       LYS  16   6.933   2.156   5.696
  118   1HB   LYS  16          HB2       LYS  16   5.931   2.461   8.584
  119   2HB   LYS  16          HB1       LYS  16   4.956   2.216   7.099
  120   1HG   LYS  16          HG2       LYS  16   4.958   0.092   7.958
  121   2HG   LYS  16          HG1       LYS  16   6.320  -0.009   6.791
  122   1HD   LYS  16          HD2       LYS  16   7.919   0.310   8.753
  123   2HD   LYS  16          HD1       LYS  16   6.503   0.361   9.863
  124   1HE   LYS  16          HE2       LYS  16   5.929  -2.000   9.251
  125   2HE   LYS  16          HE1       LYS  16   7.278  -2.025   8.043
  126   1HZ   LYS  16          HZ1       LYS  16   8.028  -3.007   9.997
  127   2HZ   LYS  16          HZ2       LYS  16   7.515  -1.800  10.957
  128   3HZ   LYS  16          HZ3       LYS  16   8.755  -1.551   9.933
  129    H    ASN  17           HN       ASN  17   7.160   4.026   4.585
  130    HA   ASN  17           HA       ASN  17   6.445   6.504   5.974
  131   1HB   ASN  17          HB2       ASN  17   8.136   7.769   4.818
  132   2HB   ASN  17          HB1       ASN  17   8.970   6.408   5.628
  133   1HD2  ASN  17          HD21      ASN  17   9.491   4.405   4.107
  134   2HD2  ASN  17          HD22      ASN  17   9.927   4.810   2.478
  135    H    GLY  18           HN       GLY  18   5.259   4.187   3.986
  136   1HA   GLY  18          HA2       GLY  18   3.639   5.983   2.617
  137   2HA   GLY  18          HA1       GLY  18   4.763   4.970   1.561
  138    H    LEU  19           HN       LEU  19   1.772   4.432   2.040
  139    HA   LEU  19           HA       LEU  19   1.772   1.800   2.885
  140   1HB   LEU  19          HB2       LEU  19   0.630   4.061   4.678
  141   2HB   LEU  19          HB1       LEU  19  -0.176   2.465   4.636
  142    HG   LEU  19           HG       LEU  19   2.761   2.792   5.452
  143   1HD1  LEU  19          HD11      LEU  19   0.286   2.713   7.285
  144   2HD1  LEU  19          HD12      LEU  19   1.351   4.138   6.981
  145   3HD1  LEU  19          HD13      LEU  19   2.016   2.681   7.807
  146   1HD2  LEU  19          HD21      LEU  19   2.388   0.545   6.514
  147   2HD2  LEU  19          HD22      LEU  19   2.163   0.490   4.730
  148   3HD2  LEU  19          HD23      LEU  19   0.722   0.504   5.816
  149    H    CYS  20           HN       CYS  20  -0.970   1.632   2.800
  150    HA   CYS  20           HA       CYS  20  -1.563   2.961   0.292
  151   1HB   CYS  20          HB2       CYS  20  -3.172   0.948   1.966
  152   2HB   CYS  20          HB1       CYS  20  -3.629   1.533   0.342
  153    H    CYS  21           HN       CYS  21  -3.478   4.361   0.060
  154    HA   CYS  21           HA       CYS  21  -3.915   5.941   2.392
  155   1HB   CYS  21          HB2       CYS  21  -4.897   6.021  -0.473
  156   2HB   CYS  21          HB1       CYS  21  -5.965   6.766   0.741
  157    H    SER  22           HN       SER  22  -5.649   3.238   0.925
  158    HA   SER  22           HA       SER  22  -7.838   3.479   2.791
  159   1HB   SER  22          HB2       SER  22  -8.510   1.287   1.574
  160   2HB   SER  22          HB1       SER  22  -8.497   2.803   0.610
  161    HG   SER  22           HG       SER  22  -6.866   0.563   0.514
  162    H    GLY  23           HN       GLY  23  -4.720   2.734   3.407
  163   1HA   GLY  23          HA2       GLY  23  -4.073   1.892   5.348
  164   2HA   GLY  23          HA1       GLY  23  -5.607   0.966   5.526
  165    H    ALA  24           HN       ALA  24  -5.809  -0.931   3.769
  166    HA   ALA  24           HA       ALA  24  -3.528  -2.415   4.755
  167   1HB   ALA  24          HB1       ALA  24  -5.803  -3.392   5.063
  168   2HB   ALA  24          HB2       ALA  24  -4.749  -4.474   4.090
  169   3HB   ALA  24          HB3       ALA  24  -6.008  -3.468   3.273
  170    H    CYS  25           HN       CYS  25  -2.042  -3.677   3.530
  171    HA   CYS  25           HA       CYS  25  -2.063  -3.246   0.642
  172   1HB   CYS  25          HB2       CYS  25  -0.061  -2.010   1.655
  173   2HB   CYS  25          HB1       CYS  25   0.356  -3.479   2.577
  174    H    VAL  26           HN       VAL  26  -2.269  -5.316  -0.295
  175    HA   VAL  26           HA       VAL  26  -1.344  -7.596   1.266
  176    HB   VAL  26           HB       VAL  26  -3.713  -7.266   1.865
  177   1HG1  VAL  26          HG11      VAL  26  -4.336  -7.474  -1.156
  178   2HG1  VAL  26          HG12      VAL  26  -4.471  -5.993  -0.142
  179   3HG1  VAL  26          HG13      VAL  26  -5.523  -7.410   0.191
  180   1HG2  VAL  26          HG21      VAL  26  -3.260  -9.711   0.043
  181   2HG2  VAL  26          HG22      VAL  26  -4.532  -9.531   1.305
  182   3HG2  VAL  26          HG23      VAL  26  -2.795  -9.553   1.781
  183    H    GLY  27           HN       GLY  27  -0.014  -6.135  -0.682
  184   1HA   GLY  27          HA2       GLY  27   1.212  -6.809  -2.496
  185   2HA   GLY  27          HA1       GLY  27  -0.124  -7.920  -3.019
  186    H    VAL  28           HN       VAL  28  -2.330  -6.564  -3.131
  187    HA   VAL  28           HA       VAL  28  -1.817  -4.044  -4.560
  188    HB   VAL  28           HB       VAL  28  -4.338  -4.151  -5.014
  189   1HG1  VAL  28          HG11      VAL  28  -3.952  -5.699  -6.992
  190   2HG1  VAL  28          HG12      VAL  28  -2.379  -6.198  -6.260
  191   3HG1  VAL  28          HG13      VAL  28  -2.641  -4.484  -6.761
  192   1HG2  VAL  28          HG21      VAL  28  -5.414  -6.370  -4.935
  193   2HG2  VAL  28          HG22      VAL  28  -4.826  -5.982  -3.284
  194   3HG2  VAL  28          HG23      VAL  28  -3.922  -7.154  -4.319
  195    H    CYS  29           HN       CYS  29  -3.042  -2.197  -3.741
  196    HA   CYS  29           HA       CYS  29  -3.254  -2.235  -0.848
  197   1HB   CYS  29          HB2       CYS  29  -3.970  -0.157  -2.985
  198   2HB   CYS  29          HB1       CYS  29  -4.325   0.117  -1.253
  199    H    ALA  30           HN       ALA  30  -5.147  -2.398   0.335
  200    HA   ALA  30           HA       ALA  30  -7.636  -2.663  -1.228
  201   1HB   ALA  30          HB1       ALA  30  -6.763  -5.005  -0.718
  202   2HB   ALA  30          HB2       ALA  30  -8.303  -4.645   0.123
  203   3HB   ALA  30          HB3       ALA  30  -6.738  -4.573   1.030
  204    H    ASP  31           HN       ASP  31  -9.155  -3.217   1.177
  205    HA   ASP  31           HA       ASP  31  -8.565  -1.001   2.899
  206   1HB   ASP  31          HB2       ASP  31 -11.029  -0.349   2.908
  207   2HB   ASP  31          HB1       ASP  31 -10.157   0.116   1.417
  208    H    LEU  32           HN       LEU  32 -10.149  -1.412   4.843
  209    HA   LEU  32           HA       LEU  32 -11.361  -3.872   5.080
  210   1HB   LEU  32          HB2       LEU  32  -8.943  -3.169   6.906
  211   2HB   LEU  32          HB1       LEU  32 -10.227  -4.333   7.369
  212    HG   LEU  32           HG       LEU  32  -8.388  -4.686   4.931
  213   1HD1  LEU  32          HD11      LEU  32  -8.117  -5.864   7.765
  214   2HD1  LEU  32          HD12      LEU  32  -7.002  -4.706   6.944
  215   3HD1  LEU  32          HD13      LEU  32  -7.173  -6.393   6.322
  216   1HD2  LEU  32          HD21      LEU  32 -10.508  -5.949   4.692
  217   2HD2  LEU  32          HD22      LEU  32 -10.296  -6.674   6.334
  218   3HD2  LEU  32          HD23      LEU  32  -9.145  -7.076   5.008
  219   1HN   NH2  33          H1        NH2  33 -12.670  -1.626   7.765
  220   2HN   NH2  33          H2        NH2  33 -12.359  -3.317   7.547
  Start of MODEL    9
    1   1H    ASP   1          HT1       ASP   1   7.037  13.191  -0.645
    2   2H    ASP   1          HT2       ASP   1   5.429  13.467  -0.812
    3   3H    ASP   1          HT3       ASP   1   6.210  12.566  -1.909
    4    HA   ASP   1           HA       ASP   1   6.440  10.764  -0.480
    5   1HB   ASP   1          HB2       ASP   1   5.448  12.727   1.719
    6   2HB   ASP   1          HB1       ASP   1   5.607  10.946   1.949
    7    H    ASP   2           HN       ASP   2   4.364   9.264  -0.088
    8    HA   ASP   2           HA       ASP   2   1.948  10.566  -0.925
    9   1HB   ASP   2          HB2       ASP   2   3.468   8.450  -2.635
   10   2HB   ASP   2          HB1       ASP   2   1.768   8.973  -2.933
   11    H    CYS   3           HN       CYS   3   0.299   8.715  -0.945
   12    HA   CYS   3           HA       CYS   3   1.158   6.477   0.746
   13   1HB   CYS   3          HB2       CYS   3  -1.289   6.084   1.190
   14   2HB   CYS   3          HB1       CYS   3  -0.660   7.564   1.948
   15    H    ILE   4           HN       ILE   4  -0.031   4.433  -0.117
   16    HA   ILE   4           HA       ILE   4   0.381   4.510  -2.994
   17    HB   ILE   4           HB       ILE   4   0.012   2.095  -1.185
   18   1HG1  ILE   4          HG12      ILE   4   2.648   3.325  -2.199
   19   2HG1  ILE   4          HG11      ILE   4   2.029   3.578  -0.541
   20   1HG2  ILE   4          HG21      ILE   4   1.178   2.471  -4.045
   21   2HG2  ILE   4          HG22      ILE   4  -0.403   1.693  -3.651
   22   3HG2  ILE   4          HG23      ILE   4   1.122   0.928  -3.140
   23   1HD1  ILE   4          HD11      ILE   4   3.679   1.814  -0.436
   24   2HD1  ILE   4          HD12      ILE   4   2.904   0.891  -1.764
   25   3HD1  ILE   4          HD13      ILE   4   2.069   1.059  -0.174
   26    H    LYS   5           HN       LYS   5  -1.189   3.727  -4.439
   27    HA   LYS   5           HA       LYS   5  -3.581   5.047  -3.957
   28   1HB   LYS   5          HB2       LYS   5  -2.232   4.905  -6.116
   29   2HB   LYS   5          HB1       LYS   5  -2.720   3.183  -6.263
   30   1HG   LYS   5          HG2       LYS   5  -5.157   3.986  -6.427
   31   2HG   LYS   5          HG1       LYS   5  -4.520   5.669  -6.478
   32   1HD   LYS   5          HD2       LYS   5  -3.971   3.365  -8.462
   33   2HD   LYS   5          HD1       LYS   5  -5.004   4.808  -8.740
   34   1HE   LYS   5          HE2       LYS   5  -2.984   6.303  -8.652
   35   2HE   LYS   5          HE1       LYS   5  -1.924   4.873  -8.322
   36   1HZ   LYS   5          HZ1       LYS   5  -2.579   3.986 -10.423
   37   2HZ   LYS   5          HZ2       LYS   5  -1.921   5.462 -10.598
   38   3HZ   LYS   5          HZ3       LYS   5  -3.526   5.270 -10.746
   39    HA   HYP   6           HA       HYP   6  -5.930   1.429  -2.741
   40   1HB   HYP   6          HB1       HYP   6  -8.250   2.024  -2.433
   41   2HB   HYP   6          HB2       HYP   6  -8.308   2.864  -4.028
   42   1HD   HYP   6          HD1       HYP   6  -6.427   4.912  -4.321
   43   2HD   HYP   6          HD2       HYP   6  -5.415   5.129  -2.833
   44    HOD  HYP   6           HOD      HYP   6  -6.887   2.877  -0.984
   45    HG   HYP   6           HG       HYP   6  -8.106   4.760  -2.500
   46    H    TYR   7           HN       TYR   7  -6.079  -0.517  -3.837
   47    HA   TYR   7           HA       TYR   7  -5.914  -1.939  -5.365
   48   1HB   TYR   7          HB2       TYR   7  -7.799  -0.211  -7.051
   49   2HB   TYR   7          HB1       TYR   7  -7.313  -1.896  -7.463
   50    HD1  TYR   7           HD1      TYR   7  -7.425  -3.466  -5.073
   51    HD2  TYR   7           HD2      TYR   7 -10.017  -0.243  -6.276
   52    HE1  TYR   7           HE1      TYR   7  -9.239  -4.440  -3.756
   53    HE2  TYR   7           HE2      TYR   7 -11.854  -1.246  -4.971
   54    HH   TYR   7           HH       TYR   7 -11.376  -4.101  -2.904
   55    H    GLY   8           HN       GLY   8  -3.922   0.343  -5.328
   56   1HA   GLY   8          HA2       GLY   8  -2.790  -0.271  -7.980
   57   2HA   GLY   8          HA1       GLY   8  -2.220   0.936  -6.746
   58    H    PHE   9           HN       PHE   9  -0.452  -1.051  -7.771
   59    HA   PHE   9           HA       PHE   9  -0.255  -3.317  -6.125
   60   1HB   PHE   9          HB2       PHE   9   2.192  -1.868  -7.316
   61   2HB   PHE   9          HB1       PHE   9   1.952  -3.639  -7.088
   62    HD1  PHE   9           HD1      PHE   9   1.899  -0.931  -9.398
   63    HD2  PHE   9           HD2      PHE   9  -0.002  -4.693  -8.550
   64    HE1  PHE   9           HE1      PHE   9   1.139  -1.068 -11.736
   65    HE2  PHE   9           HE2      PHE   9  -0.776  -4.824 -10.898
   66    HZ   PHE   9           HZ       PHE   9  -0.225  -3.000 -12.496
   67    H    CYS  10           HN       CYS  10   1.282  -3.600  -4.160
   68    HA   CYS  10           HA       CYS  10   2.457  -1.100  -3.319
   69   1HB   CYS  10          HB2       CYS  10   1.519  -1.057  -1.051
   70   2HB   CYS  10          HB1       CYS  10   0.246  -0.861  -2.286
   71    H    SER  11           HN       SER  11   3.440  -1.697  -0.930
   72    HA   SER  11           HA       SER  11   4.706  -4.101  -0.728
   73   1HB   SER  11          HB2       SER  11   7.062  -2.981  -1.245
   74   2HB   SER  11          HB1       SER  11   6.122  -3.486  -2.687
   75    HG   SER  11           HG       SER  11   6.927  -0.999  -1.929
   76    H    LEU  12           HN       LEU  12   6.718  -2.825   0.862
   77    HA   LEU  12           HA       LEU  12   5.202  -0.812   2.373
   78   1HB   LEU  12          HB2       LEU  12   7.273  -2.795   3.479
   79   2HB   LEU  12          HB1       LEU  12   6.649  -1.355   4.336
   80    HG   LEU  12           HG       LEU  12   5.532  -3.257   5.184
   81   1HD1  LEU  12          HD11      LEU  12   4.132  -1.187   4.853
   82   2HD1  LEU  12          HD12      LEU  12   3.166  -2.709   4.891
   83   3HD1  LEU  12          HD13      LEU  12   3.484  -1.892   3.323
   84   1HD2  LEU  12          HD21      LEU  12   4.491  -4.087   2.406
   85   2HD2  LEU  12          HD22      LEU  12   4.212  -4.903   3.977
   86   3HD2  LEU  12          HD23      LEU  12   5.872  -4.870   3.276
   87    HA   PRO  13           HA       PRO  13   9.270   1.183   1.441
   88   1HB   PRO  13          HB2       PRO  13  11.222  -0.068  -0.143
   89   2HB   PRO  13          HB1       PRO  13  11.223  -0.069   1.657
   90   1HG   PRO  13          HG1       PRO  13  10.147  -2.238  -0.222
   91   2HG   PRO  13          HG2       PRO  13  11.222  -2.440   1.226
   92   1HD   PRO  13          HD1       PRO  13   8.507  -2.848   1.410
   93   2HD   PRO  13          HD2       PRO  13   9.400  -1.996   2.746
   94    H    ILE  14           HN       ILE  14   9.436   2.565  -0.368
   95    HA   ILE  14           HA       ILE  14   8.924   1.575  -2.989
   96    HB   ILE  14           HB       ILE  14   7.492   3.809  -3.372
   97   1HG1  ILE  14          HG12      ILE  14   6.332   2.890  -0.665
   98   2HG1  ILE  14          HG11      ILE  14   7.488   4.247  -0.725
   99   1HG2  ILE  14          HG21      ILE  14   6.918   1.483  -4.051
  100   2HG2  ILE  14          HG22      ILE  14   5.474   2.364  -3.433
  101   3HG2  ILE  14          HG23      ILE  14   6.290   1.149  -2.394
  102   1HD1  ILE  14          HD11      ILE  14   5.228   5.179  -0.764
  103   2HD1  ILE  14          HD12      ILE  14   4.751   4.126  -2.146
  104   3HD1  ILE  14          HD13      ILE  14   5.959   5.444  -2.383
  105    H    LEU  15           HN       LEU  15   8.770   4.931  -1.840
  106    HA   LEU  15           HA       LEU  15  11.399   5.440  -2.939
  107   1HB   LEU  15          HB2       LEU  15   9.447   7.282  -1.403
  108   2HB   LEU  15          HB1       LEU  15  10.953   7.809  -2.226
  109    HG   LEU  15           HG       LEU  15   8.538   6.505  -3.630
  110   1HD1  LEU  15          HD11      LEU  15   7.887   8.746  -4.377
  111   2HD1  LEU  15          HD12      LEU  15   9.288   9.492  -3.515
  112   3HD1  LEU  15          HD13      LEU  15   7.955   8.712  -2.575
  113   1HD2  LEU  15          HD21      LEU  15  10.626   6.180  -4.922
  114   2HD2  LEU  15          HD22      LEU  15  11.031   7.929  -4.772
  115   3HD2  LEU  15          HD23      LEU  15   9.597   7.413  -5.732
  116    H    LYS  16           HN       LYS  16   9.682   5.838   0.206
  117    HA   LYS  16           HA       LYS  16  12.239   5.319   1.559
  118   1HB   LYS  16          HB2       LYS  16   9.995   7.138   2.649
  119   2HB   LYS  16          HB1       LYS  16  11.573   6.765   3.408
  120   1HG   LYS  16          HG2       LYS  16  11.082   8.332   0.800
  121   2HG   LYS  16          HG1       LYS  16  11.475   9.048   2.395
  122   1HD   LYS  16          HD2       LYS  16  13.730   7.945   2.352
  123   2HD   LYS  16          HD1       LYS  16  13.348   7.189   0.770
  124   1HE   LYS  16          HE2       LYS  16  13.573  10.231   1.295
  125   2HE   LYS  16          HE1       LYS  16  14.778   9.182   0.450
  126   1HZ   LYS  16          HZ1       LYS  16  13.127   8.767  -1.215
  127   2HZ   LYS  16          HZ2       LYS  16  13.388  10.368  -1.061
  128   3HZ   LYS  16          HZ3       LYS  16  12.032   9.704  -0.453
  129    H    ASN  17           HN       ASN  17   8.649   5.528   2.210
  130    HA   ASN  17           HA       ASN  17   8.381   2.761   2.485
  131   1HB   ASN  17          HB2       ASN  17   8.612   4.508   4.983
  132   2HB   ASN  17          HB1       ASN  17   7.043   3.645   4.854
  133   1HD2  ASN  17          HD21      ASN  17  10.302   2.442   3.759
  134   2HD2  ASN  17          HD22      ASN  17  10.316   1.087   4.854
  135    H    GLY  18           HN       GLY  18   5.730   2.760   3.003
  136   1HA   GLY  18          HA2       GLY  18   4.450   5.139   2.425
  137   2HA   GLY  18          HA1       GLY  18   4.512   3.958   1.009
  138    H    LEU  19           HN       LEU  19   1.970   4.000   2.020
  139    HA   LEU  19           HA       LEU  19   1.739   1.418   2.923
  140   1HB   LEU  19          HB2       LEU  19   2.023   2.863   5.179
  141   2HB   LEU  19          HB1       LEU  19   0.454   3.583   4.726
  142    HG   LEU  19           HG       LEU  19  -0.521   1.187   4.770
  143   1HD1  LEU  19          HD11      LEU  19   0.808  -0.539   6.067
  144   2HD1  LEU  19          HD12      LEU  19   2.262   0.525   5.948
  145   3HD1  LEU  19          HD13      LEU  19   1.516  -0.170   4.457
  146   1HD2  LEU  19          HD21      LEU  19  -0.668   1.075   7.228
  147   2HD2  LEU  19          HD22      LEU  19  -0.848   2.763   6.633
  148   3HD2  LEU  19          HD23      LEU  19   0.704   2.239   7.389
  149    H    CYS  20           HN       CYS  20  -1.023   1.524   2.983
  150    HA   CYS  20           HA       CYS  20  -1.464   2.775   0.398
  151   1HB   CYS  20          HB2       CYS  20  -3.057   0.776   2.084
  152   2HB   CYS  20          HB1       CYS  20  -3.651   1.436   0.531
  153    H    CYS  21           HN       CYS  21  -3.304   4.121  -0.027
  154    HA   CYS  21           HA       CYS  21  -3.707   5.970   2.065
  155   1HB   CYS  21          HB2       CYS  21  -5.441   5.749  -0.453
  156   2HB   CYS  21          HB1       CYS  21  -5.221   7.183   0.592
  157    H    SER  22           HN       SER  22  -5.651   3.190   0.896
  158    HA   SER  22           HA       SER  22  -7.832   3.785   2.656
  159   1HB   SER  22          HB2       SER  22  -8.541   1.422   1.724
  160   2HB   SER  22          HB1       SER  22  -8.519   2.820   0.602
  161    HG   SER  22           HG       SER  22  -6.987   0.544   0.644
  162    H    GLY  23           HN       GLY  23  -4.732   2.619   3.152
  163   1HA   GLY  23          HA2       GLY  23  -4.117   2.123   5.272
  164   2HA   GLY  23          HA1       GLY  23  -5.640   1.200   5.556
  165    H    ALA  24           HN       ALA  24  -5.852  -0.698   3.753
  166    HA   ALA  24           HA       ALA  24  -3.716  -2.307   4.853
  167   1HB   ALA  24          HB1       ALA  24  -6.077  -3.106   5.084
  168   2HB   ALA  24          HB2       ALA  24  -5.079  -4.279   4.151
  169   3HB   ALA  24          HB3       ALA  24  -6.222  -3.174   3.290
  170    H    CYS  25           HN       CYS  25  -2.333  -3.777   3.621
  171    HA   CYS  25           HA       CYS  25  -2.163  -3.222   0.775
  172   1HB   CYS  25          HB2       CYS  25  -0.384  -1.793   1.905
  173   2HB   CYS  25          HB1       CYS  25   0.121  -3.192   2.880
  174    H    VAL  26           HN       VAL  26  -2.016  -5.234  -0.196
  175    HA   VAL  26           HA       VAL  26  -0.684  -7.342   1.254
  176    HB   VAL  26           HB       VAL  26  -2.982  -8.004   1.507
  177   1HG1  VAL  26          HG11      VAL  26  -3.577  -8.371  -1.437
  178   2HG1  VAL  26          HG12      VAL  26  -3.713  -6.695  -0.779
  179   3HG1  VAL  26          HG13      VAL  26  -4.652  -8.032  -0.041
  180   1HG2  VAL  26          HG21      VAL  26  -1.241  -9.733   1.166
  181   2HG2  VAL  26          HG22      VAL  26  -1.557  -9.758  -0.603
  182   3HG2  VAL  26          HG23      VAL  26  -2.840 -10.271   0.539
  183    H    GLY  27           HN       GLY  27  -1.515  -8.321  -1.967
  184   1HA   GLY  27          HA2       GLY  27   1.042  -7.283  -2.801
  185   2HA   GLY  27          HA1       GLY  27  -0.154  -8.206  -3.781
  186    H    VAL  28           HN       VAL  28  -1.830  -5.770  -2.400
  187    HA   VAL  28           HA       VAL  28  -1.501  -3.776  -4.348
  188    HB   VAL  28           HB       VAL  28  -3.954  -3.912  -5.097
  189   1HG1  VAL  28          HG11      VAL  28  -3.489  -5.425  -7.003
  190   2HG1  VAL  28          HG12      VAL  28  -2.098  -6.163  -6.122
  191   3HG1  VAL  28          HG13      VAL  28  -2.034  -4.430  -6.623
  192   1HG2  VAL  28          HG21      VAL  28  -4.636  -5.668  -3.336
  193   2HG2  VAL  28          HG22      VAL  28  -3.699  -6.897  -4.268
  194   3HG2  VAL  28          HG23      VAL  28  -5.120  -6.080  -5.017
  195    H    CYS  29           HN       CYS  29  -3.033  -2.044  -3.616
  196    HA   CYS  29           HA       CYS  29  -3.303  -2.152  -0.754
  197   1HB   CYS  29          HB2       CYS  29  -4.249  -0.098  -2.827
  198   2HB   CYS  29          HB1       CYS  29  -4.490   0.113  -1.063
  199    H    ALA  30           HN       ALA  30  -5.159  -2.350   0.462
  200    HA   ALA  30           HA       ALA  30  -7.630  -3.001  -1.011
  201   1HB   ALA  30          HB1       ALA  30  -6.492  -4.545   1.413
  202   2HB   ALA  30          HB2       ALA  30  -6.481  -5.161  -0.278
  203   3HB   ALA  30          HB3       ALA  30  -8.045  -4.903   0.563
  204    H    ASP  31           HN       ASP  31  -9.131  -3.525   1.452
  205    HA   ASP  31           HA       ASP  31  -8.873  -1.315   3.122
  206   1HB   ASP  31          HB2       ASP  31 -11.108  -0.293   2.532
  207   2HB   ASP  31          HB1       ASP  31  -9.936  -0.046   1.208
  208    H    LEU  32           HN       LEU  32 -11.218  -1.614   4.407
  209    HA   LEU  32           HA       LEU  32 -12.466  -4.079   4.128
  210   1HB   LEU  32          HB2       LEU  32 -10.964  -3.272   6.724
  211   2HB   LEU  32          HB1       LEU  32 -12.382  -4.370   6.755
  212    HG   LEU  32           HG       LEU  32  -9.903  -5.052   5.104
  213   1HD1  LEU  32          HD11      LEU  32 -10.307  -5.647   8.106
  214   2HD1  LEU  32          HD12      LEU  32  -9.044  -4.593   7.365
  215   3HD1  LEU  32          HD13      LEU  32  -9.025  -6.365   7.055
  216   1HD2  LEU  32          HD21      LEU  32 -11.992  -6.416   4.723
  217   2HD2  LEU  32          HD22      LEU  32 -12.014  -6.852   6.476
  218   3HD2  LEU  32          HD23      LEU  32 -10.652  -7.393   5.427
  219   1HN   NH2  33          H1        NH2  33 -14.716  -1.767   6.040
  220   2HN   NH2  33          H2        NH2  33 -14.366  -3.463   5.939
  Start of MODEL   10
    1   1H    ASP   1          HT1       ASP   1   6.475   9.135   2.850
    2   2H    ASP   1          HT2       ASP   1   7.968   8.542   2.533
    3   3H    ASP   1          HT3       ASP   1   6.682   7.546   2.547
    4    HA   ASP   1           HA       ASP   1   7.399   9.621   0.641
    5   1HB   ASP   1          HB2       ASP   1   6.828   7.942  -1.153
    6   2HB   ASP   1          HB1       ASP   1   8.184   7.468  -0.092
    7    H    ASP   2           HN       ASP   2   4.841   8.465  -0.897
    8    HA   ASP   2           HA       ASP   2   3.082  10.445   0.313
    9   1HB   ASP   2          HB2       ASP   2   2.841   8.809  -2.303
   10   2HB   ASP   2          HB1       ASP   2   1.723  10.134  -1.787
   11    H    CYS   3           HN       CYS   3   0.978   8.379  -1.185
   12    HA   CYS   3           HA       CYS   3   1.153   6.267   0.771
   13   1HB   CYS   3          HB2       CYS   3  -1.233   5.953   0.948
   14   2HB   CYS   3          HB1       CYS   3  -0.862   7.594   1.536
   15    H    ILE   4           HN       ILE   4   0.006   4.354  -0.403
   16    HA   ILE   4           HA       ILE   4   0.511   4.648  -3.290
   17    HB   ILE   4           HB       ILE   4   0.377   2.122  -1.597
   18   1HG1  ILE   4          HG12      ILE   4   2.671   3.785  -2.820
   19   2HG1  ILE   4          HG11      ILE   4   2.389   3.434  -1.083
   20   1HG2  ILE   4          HG21      ILE   4   1.015   2.567  -4.597
   21   2HG2  ILE   4          HG22      ILE   4  -0.445   1.727  -3.937
   22   3HG2  ILE   4          HG23      ILE   4   1.168   1.019  -3.704
   23   1HD1  ILE   4          HD11      ILE   4   4.263   2.094  -1.905
   24   2HD1  ILE   4          HD12      ILE   4   3.268   1.385  -3.221
   25   3HD1  ILE   4          HD13      ILE   4   2.894   1.000  -1.494
   26    H    LYS   5           HN       LYS   5  -1.199   3.586  -4.659
   27    HA   LYS   5           HA       LYS   5  -3.452   5.143  -3.986
   28   1HB   LYS   5          HB2       LYS   5  -2.292   4.947  -6.313
   29   2HB   LYS   5          HB1       LYS   5  -3.092   3.348  -6.464
   30   1HG   LYS   5          HG2       LYS   5  -5.354   4.613  -6.180
   31   2HG   LYS   5          HG1       LYS   5  -4.393   6.124  -6.187
   32   1HD   LYS   5          HD2       LYS   5  -4.679   6.142  -8.424
   33   2HD   LYS   5          HD1       LYS   5  -3.475   4.817  -8.511
   34   1HE   LYS   5          HE2       LYS   5  -6.562   4.509  -8.342
   35   2HE   LYS   5          HE1       LYS   5  -5.537   4.270  -9.813
   36   1HZ   LYS   5          HZ1       LYS   5  -6.088   2.224  -8.786
   37   2HZ   LYS   5          HZ2       LYS   5  -5.453   2.652  -7.356
   38   3HZ   LYS   5          HZ3       LYS   5  -4.485   2.448  -8.651
   39    HA   HYP   6           HA       HYP   6  -5.818   1.586  -2.729
   40   1HB   HYP   6          HB1       HYP   6  -8.119   2.242  -2.319
   41   2HB   HYP   6          HB2       HYP   6  -8.195   3.165  -3.869
   42   1HD   HYP   6          HD1       HYP   6  -6.305   5.134  -4.163
   43   2HD   HYP   6          HD2       HYP   6  -5.169   5.241  -2.754
   44    HOD  HYP   6           HOD      HYP   6  -6.673   2.975  -0.886
   45    HG   HYP   6           HG       HYP   6  -7.827   4.967  -2.221
   46    H    TYR   7           HN       TYR   7  -6.085  -0.374  -3.832
   47    HA   TYR   7           HA       TYR   7  -6.045  -1.759  -5.403
   48   1HB   TYR   7          HB2       TYR   7  -8.201  -0.022  -6.708
   49   2HB   TYR   7          HB1       TYR   7  -7.710  -1.648  -7.330
   50    HD1  TYR   7           HD1      TYR   7  -9.378   0.146  -4.545
   51    HD2  TYR   7           HD2      TYR   7  -8.040  -3.682  -5.964
   52    HE1  TYR   7           HE1      TYR   7 -10.695  -0.953  -2.781
   53    HE2  TYR   7           HE2      TYR   7  -9.387  -4.798  -4.226
   54    HH   TYR   7           HH       TYR   7 -11.129  -2.929  -1.719
   55    H    GLY   8           HN       GLY   8  -3.950  -0.043  -5.343
   56   1HA   GLY   8          HA2       GLY   8  -3.021  -0.538  -8.066
   57   2HA   GLY   8          HA1       GLY   8  -2.442   0.845  -7.014
   58    H    PHE   9           HN       PHE   9  -0.440  -0.997  -7.621
   59    HA   PHE   9           HA       PHE   9  -0.517  -3.124  -5.653
   60   1HB   PHE   9          HB2       PHE   9   1.659  -2.408  -7.729
   61   2HB   PHE   9          HB1       PHE   9   1.665  -3.857  -6.650
   62    HD1  PHE   9           HD1      PHE   9  -0.360  -5.447  -6.772
   63    HD2  PHE   9           HD2      PHE   9   0.547  -2.544  -9.815
   64    HE1  PHE   9           HE1      PHE   9  -1.724  -6.717  -8.393
   65    HE2  PHE   9           HE2      PHE   9  -0.823  -3.819 -11.437
   66    HZ   PHE   9           HZ       PHE   9  -1.964  -5.907 -10.723
   67    H    CYS  10           HN       CYS  10   1.049  -3.360  -3.989
   68    HA   CYS  10           HA       CYS  10   2.682  -1.010  -3.409
   69   1HB   CYS  10          HB2       CYS  10   1.925  -1.126  -0.981
   70   2HB   CYS  10          HB1       CYS  10   0.637  -0.626  -2.098
   71    H    SER  11           HN       SER  11   3.744  -2.023  -0.947
   72    HA   SER  11           HA       SER  11   4.350  -4.665  -1.008
   73   1HB   SER  11          HB2       SER  11   6.864  -4.400  -1.530
   74   2HB   SER  11          HB1       SER  11   5.825  -4.217  -2.987
   75    HG   SER  11           HG       SER  11   7.301  -2.581  -2.946
   76    H    LEU  12           HN       LEU  12   6.758  -4.147   0.551
   77    HA   LEU  12           HA       LEU  12   5.933  -2.093   2.444
   78   1HB   LEU  12          HB2       LEU  12   5.695  -4.453   3.352
   79   2HB   LEU  12          HB1       LEU  12   7.407  -4.762   2.954
   80    HG   LEU  12           HG       LEU  12   6.912  -4.362   5.361
   81   1HD1  LEU  12          HD11      LEU  12   8.834  -2.991   5.908
   82   2HD1  LEU  12          HD12      LEU  12   8.814  -2.197   4.299
   83   3HD1  LEU  12          HD13      LEU  12   9.210  -3.955   4.437
   84   1HD2  LEU  12          HD21      LEU  12   6.420  -2.130   6.269
   85   2HD2  LEU  12          HD22      LEU  12   5.110  -2.645   5.140
   86   3HD2  LEU  12          HD23      LEU  12   6.327  -1.422   4.620
   87    HA   PRO  13           HA       PRO  13   9.664  -1.221   0.112
   88   1HB   PRO  13          HB2       PRO  13   9.798   1.307   1.838
   89   2HB   PRO  13          HB1       PRO  13  10.000   1.154   0.048
   90   1HG   PRO  13          HG1       PRO  13   7.610   2.038   1.075
   91   2HG   PRO  13          HG2       PRO  13   7.628   0.813  -0.265
   92   1HD   PRO  13          HD1       PRO  13   7.242   0.297   2.743
   93   2HD   PRO  13          HD2       PRO  13   6.335  -0.364   1.306
   94    H    ILE  14           HN       ILE  14  10.029  -0.159   3.572
   95    HA   ILE  14           HA       ILE  14  12.306  -1.850   3.857
   96    HB   ILE  14           HB       ILE  14  13.598  -0.134   2.882
   97   1HG1  ILE  14          HG12      ILE  14  15.000   0.765   4.721
   98   2HG1  ILE  14          HG11      ILE  14  13.771   0.293   5.934
   99   1HG2  ILE  14          HG21      ILE  14  11.897   1.705   2.883
  100   2HG2  ILE  14          HG22      ILE  14  13.507   2.255   3.448
  101   3HG2  ILE  14          HG23      ILE  14  12.201   1.975   4.644
  102   1HD1  ILE  14          HD11      ILE  14  14.128  -2.133   5.364
  103   2HD1  ILE  14          HD12      ILE  14  15.674  -1.331   5.804
  104   3HD1  ILE  14          HD13      ILE  14  15.296  -1.656   4.071
  105    H    LEU  15           HN       LEU  15  10.363   0.955   5.091
  106    HA   LEU  15           HA       LEU  15   9.743  -0.763   7.394
  107   1HB   LEU  15          HB2       LEU  15   9.938   2.324   7.389
  108   2HB   LEU  15          HB1       LEU  15   9.451   1.303   8.789
  109    HG   LEU  15           HG       LEU  15  12.231   1.376   7.485
  110   1HD1  LEU  15          HD11      LEU  15  12.928   2.579   9.552
  111   2HD1  LEU  15          HD12      LEU  15  11.225   2.561  10.150
  112   3HD1  LEU  15          HD13      LEU  15  11.646   3.485   8.661
  113   1HD2  LEU  15          HD21      LEU  15  11.272  -0.101  10.028
  114   2HD2  LEU  15          HD22      LEU  15  12.984   0.073   9.490
  115   3HD2  LEU  15          HD23      LEU  15  11.826  -0.862   8.489
  116    H    LYS  16           HN       LYS  16   7.649   0.966   8.202
  117    HA   LYS  16           HA       LYS  16   5.802   0.850   5.957
  118   1HB   LYS  16          HB2       LYS  16   5.362   1.751   8.868
  119   2HB   LYS  16          HB1       LYS  16   4.093   1.503   7.624
  120   1HG   LYS  16          HG2       LYS  16   4.736  -0.935   7.489
  121   2HG   LYS  16          HG1       LYS  16   5.928  -0.698   8.816
  122   1HD   LYS  16          HD2       LYS  16   2.888  -0.226   9.032
  123   2HD   LYS  16          HD1       LYS  16   3.768  -1.701   9.574
  124   1HE   LYS  16          HE2       LYS  16   5.086  -0.345  11.229
  125   2HE   LYS  16          HE1       LYS  16   4.203   1.149  10.715
  126   1HZ   LYS  16          HZ1       LYS  16   2.977  -1.239  11.913
  127   2HZ   LYS  16          HZ2       LYS  16   2.184   0.104  11.443
  128   3HZ   LYS  16          HZ3       LYS  16   3.271   0.181  12.652
  129    H    ASN  17           HN       ASN  17   7.477   2.431   4.994
  130    HA   ASN  17           HA       ASN  17   7.206   5.158   6.026
  131   1HB   ASN  17          HB2       ASN  17   9.124   5.694   4.451
  132   2HB   ASN  17          HB1       ASN  17   9.505   4.510   5.740
  133   1HD2  ASN  17          HD22      ASN  17   8.909   4.841   2.199
  134   2HD2  ASN  17          HD21      ASN  17   9.606   3.313   1.780
  135    H    GLY  18           HN       GLY  18   5.206   3.409   4.229
  136   1HA   GLY  18          HA2       GLY  18   4.059   5.572   2.982
  137   2HA   GLY  18          HA1       GLY  18   4.800   4.363   1.802
  138    H    LEU  19           HN       LEU  19   1.807   4.291   2.192
  139    HA   LEU  19           HA       LEU  19   1.627   1.671   2.958
  140   1HB   LEU  19          HB2       LEU  19   1.584   2.732   5.335
  141   2HB   LEU  19          HB1       LEU  19   0.177   3.708   4.809
  142    HG   LEU  19           HG       LEU  19  -1.214   1.693   4.624
  143   1HD1  LEU  19          HD11      LEU  19   1.260   0.006   5.382
  144   2HD1  LEU  19          HD12      LEU  19   0.445   0.013   3.771
  145   3HD1  LEU  19          HD13      LEU  19  -0.440  -0.582   5.215
  146   1HD2  LEU  19          HD21      LEU  19  -1.054   2.726   6.844
  147   2HD2  LEU  19          HD22      LEU  19   0.354   1.680   7.270
  148   3HD2  LEU  19          HD23      LEU  19  -1.268   0.938   6.969
  149    H    CYS  20           HN       CYS  20  -1.066   1.579   2.780
  150    HA   CYS  20           HA       CYS  20  -1.602   3.008   0.303
  151   1HB   CYS  20          HB2       CYS  20  -3.193   0.890   1.885
  152   2HB   CYS  20          HB1       CYS  20  -3.648   1.522   0.272
  153    H    CYS  21           HN       CYS  21  -3.438   4.450   0.105
  154    HA   CYS  21           HA       CYS  21  -3.920   5.898   2.489
  155   1HB   CYS  21          HB2       CYS  21  -4.912   6.118  -0.376
  156   2HB   CYS  21          HB1       CYS  21  -5.868   6.913   0.904
  157    H    SER  22           HN       SER  22  -5.705   3.284   0.871
  158    HA   SER  22           HA       SER  22  -7.891   3.485   2.729
  159   1HB   SER  22          HB2       SER  22  -8.619   1.360   1.424
  160   2HB   SER  22          HB1       SER  22  -8.521   2.906   0.501
  161    HG   SER  22           HG       SER  22  -6.959   0.615   0.391
  162    H    GLY  23           HN       GLY  23  -4.784   2.622   3.340
  163   1HA   GLY  23          HA2       GLY  23  -4.262   1.849   5.340
  164   2HA   GLY  23          HA1       GLY  23  -5.823   0.966   5.480
  165    H    ALA  24           HN       ALA  24  -5.925  -0.899   3.564
  166    HA   ALA  24           HA       ALA  24  -3.830  -2.558   4.721
  167   1HB   ALA  24          HB1       ALA  24  -5.069  -4.509   3.845
  168   2HB   ALA  24          HB2       ALA  24  -6.165  -3.423   2.918
  169   3HB   ALA  24          HB3       ALA  24  -6.197  -3.407   4.716
  170    H    CYS  25           HN       CYS  25  -2.250  -3.811   3.527
  171    HA   CYS  25           HA       CYS  25  -2.096  -3.330   0.669
  172   1HB   CYS  25          HB2       CYS  25  -0.349  -1.787   1.708
  173   2HB   CYS  25          HB1       CYS  25   0.173  -3.108   2.780
  174    H    VAL  26           HN       VAL  26  -2.055  -5.443  -0.147
  175    HA   VAL  26           HA       VAL  26  -0.466  -7.381   1.244
  176    HB   VAL  26           HB       VAL  26  -2.459  -7.787   2.482
  177   1HG1  VAL  26          HG11      VAL  26  -4.649  -8.344   1.464
  178   2HG1  VAL  26          HG12      VAL  26  -4.018  -7.962  -0.176
  179   3HG1  VAL  26          HG13      VAL  26  -4.143  -6.664   1.076
  180   1HG2  VAL  26          HG21      VAL  26  -1.123  -9.764   1.764
  181   2HG2  VAL  26          HG22      VAL  26  -2.178  -9.966   0.315
  182   3HG2  VAL  26          HG23      VAL  26  -2.868 -10.157   1.964
  183    H    GLY  27           HN       GLY  27   0.475  -6.211  -0.724
  184   1HA   GLY  27          HA2       GLY  27   1.354  -6.745  -2.729
  185   2HA   GLY  27          HA1       GLY  27  -0.024  -7.869  -3.080
  186    H    VAL  28           HN       VAL  28  -2.234  -6.588  -2.896
  187    HA   VAL  28           HA       VAL  28  -2.004  -4.123  -4.484
  188    HB   VAL  28           HB       VAL  28  -4.525  -4.244  -4.585
  189   1HG1  VAL  28          HG11      VAL  28  -3.072  -4.874  -6.477
  190   2HG1  VAL  28          HG12      VAL  28  -4.492  -5.979  -6.393
  191   3HG1  VAL  28          HG13      VAL  28  -2.876  -6.546  -5.824
  192   1HG2  VAL  28          HG21      VAL  28  -4.963  -5.754  -2.645
  193   2HG2  VAL  28          HG22      VAL  28  -4.053  -7.099  -3.440
  194   3HG2  VAL  28          HG23      VAL  28  -5.577  -6.485  -4.165
  195    H    CYS  29           HN       CYS  29  -3.010  -2.232  -3.665
  196    HA   CYS  29           HA       CYS  29  -3.251  -2.054  -0.779
  197   1HB   CYS  29          HB2       CYS  29  -3.872  -0.149  -3.116
  198   2HB   CYS  29          HB1       CYS  29  -4.289   0.267  -1.426
  199    H    ALA  30           HN       ALA  30  -5.114  -2.471   0.286
  200    HA   ALA  30           HA       ALA  30  -7.599  -2.592  -1.307
  201   1HB   ALA  30          HB1       ALA  30  -6.773  -4.960  -0.911
  202   2HB   ALA  30          HB2       ALA  30  -8.335  -4.612  -0.108
  203   3HB   ALA  30          HB3       ALA  30  -6.801  -4.645   0.860
  204    H    ASP  31           HN       ASP  31  -8.735  -3.507   1.455
  205    HA   ASP  31           HA       ASP  31  -8.382  -1.285   3.119
  206   1HB   ASP  31          HB2       ASP  31 -10.955  -0.949   3.240
  207   2HB   ASP  31          HB1       ASP  31 -10.197  -0.226   1.785
  208    H    LEU  32           HN       LEU  32  -9.793  -2.254   5.151
  209    HA   LEU  32           HA       LEU  32  -9.630  -5.172   4.861
  210   1HB   LEU  32          HB2       LEU  32  -7.767  -3.736   6.343
  211   2HB   LEU  32          HB1       LEU  32  -9.073  -3.893   7.550
  212    HG   LEU  32           HG       LEU  32  -9.056  -6.428   7.054
  213   1HD1  LEU  32          HD11      LEU  32  -7.889  -6.435   4.845
  214   2HD1  LEU  32          HD12      LEU  32  -6.945  -7.372   6.052
  215   3HD1  LEU  32          HD13      LEU  32  -6.422  -5.709   5.599
  216   1HD2  LEU  32          HD21      LEU  32  -8.010  -5.453   9.098
  217   2HD2  LEU  32          HD22      LEU  32  -6.461  -5.212   8.204
  218   3HD2  LEU  32          HD23      LEU  32  -7.091  -6.878   8.492
  219   1HN   NH2  33          H1        NH2  33 -12.955  -4.984   6.037
  220   2HN   NH2  33          H2        NH2  33 -11.775  -5.834   5.099
  Start of MODEL   11
    1   1H    ASP   1          HT1       ASP   1   3.788  14.319  -0.169
    2   2H    ASP   1          HT2       ASP   1   5.329  13.819  -0.030
    3   3H    ASP   1          HT3       ASP   1   4.668  14.738   1.153
    4    HA   ASP   1           HA       ASP   1   4.796  12.133   1.373
    5   1HB   ASP   1          HB2       ASP   1   2.244  13.784   2.065
    6   2HB   ASP   1          HB1       ASP   1   2.632  12.166   2.761
    7    H    ASP   2           HN       ASP   2   2.990  10.275   0.902
    8    HA   ASP   2           HA       ASP   2   1.135  10.815  -1.097
    9   1HB   ASP   2          HB2       ASP   2   3.657   9.076  -1.680
   10   2HB   ASP   2          HB1       ASP   2   2.120   8.914  -2.603
   11    H    CYS   3           HN       CYS   3   0.417   8.208  -1.416
   12    HA   CYS   3           HA       CYS   3   1.289   6.518   0.613
   13   1HB   CYS   3          HB2       CYS   3  -1.184   5.834   1.131
   14   2HB   CYS   3          HB1       CYS   3  -0.536   7.228   2.027
   15    H    ILE   4           HN       ILE   4   0.203   4.346  -0.284
   16    HA   ILE   4           HA       ILE   4   0.386   4.655  -3.172
   17    HB   ILE   4           HB       ILE   4   0.278   2.091  -1.542
   18   1HG1  ILE   4          HG12      ILE   4   2.664   3.729  -2.623
   19   2HG1  ILE   4          HG11      ILE   4   2.243   3.490  -0.895
   20   1HG2  ILE   4          HG21      ILE   4   1.187   1.089  -3.672
   21   2HG2  ILE   4          HG22      ILE   4   1.102   2.695  -4.475
   22   3HG2  ILE   4          HG23      ILE   4  -0.404   1.843  -3.964
   23   1HD1  ILE   4          HD11      ILE   4   2.684   1.011  -1.141
   24   2HD1  ILE   4          HD12      ILE   4   4.123   2.039  -1.501
   25   3HD1  ILE   4          HD13      ILE   4   3.198   1.299  -2.847
   26    H    LYS   5           HN       LYS   5  -1.340   3.953  -4.579
   27    HA   LYS   5           HA       LYS   5  -3.649   5.100  -3.368
   28   1HB   LYS   5          HB2       LYS   5  -2.552   5.848  -5.568
   29   2HB   LYS   5          HB1       LYS   5  -3.277   4.386  -6.339
   30   1HG   LYS   5          HG2       LYS   5  -5.548   5.262  -5.825
   31   2HG   LYS   5          HG1       LYS   5  -4.841   6.597  -4.843
   32   1HD   LYS   5          HD2       LYS   5  -3.752   7.503  -6.945
   33   2HD   LYS   5          HD1       LYS   5  -4.587   6.206  -7.881
   34   1HE   LYS   5          HE2       LYS   5  -6.823   7.114  -7.087
   35   2HE   LYS   5          HE1       LYS   5  -5.963   8.436  -6.212
   36   1HZ   LYS   5          HZ1       LYS   5  -5.102   9.152  -8.324
   37   2HZ   LYS   5          HZ2       LYS   5  -6.728   9.109  -8.357
   38   3HZ   LYS   5          HZ3       LYS   5  -5.870   7.952  -9.107
   39    HA   HYP   6           HA       HYP   6  -5.687   1.354  -2.884
   40   1HB   HYP   6          HB1       HYP   6  -8.001   1.653  -2.345
   41   2HB   HYP   6          HB2       HYP   6  -8.291   2.634  -3.834
   42   1HD   HYP   6          HD1       HYP   6  -6.757   4.820  -4.105
   43   2HD   HYP   6          HD2       HYP   6  -5.610   5.118  -2.734
   44    HOD  HYP   6           HOD      HYP   6  -6.870   2.665  -0.728
   45    HG   HYP   6           HG       HYP   6  -8.128   4.384  -2.088
   46    H    TYR   7           HN       TYR   7  -6.085  -0.586  -4.022
   47    HA   TYR   7           HA       TYR   7  -5.777  -1.886  -5.599
   48   1HB   TYR   7          HB2       TYR   7  -8.092  -0.349  -6.846
   49   2HB   TYR   7          HB1       TYR   7  -7.353  -1.778  -7.682
   50    HD1  TYR   7           HD1      TYR   7  -9.300  -0.740  -4.685
   51    HD2  TYR   7           HD2      TYR   7  -7.251  -3.974  -6.637
   52    HE1  TYR   7           HE1      TYR   7 -10.194  -2.312  -3.016
   53    HE2  TYR   7           HE2      TYR   7  -8.152  -5.557  -4.978
   54    HH   TYR   7           HH       TYR   7 -10.129  -4.454  -2.215
   55    H    GLY   8           HN       GLY   8  -3.929   0.278  -5.497
   56   1HA   GLY   8          HA2       GLY   8  -2.748  -0.296  -8.134
   57   2HA   GLY   8          HA1       GLY   8  -2.220   0.955  -6.916
   58    H    PHE   9           HN       PHE   9  -0.317  -1.029  -7.678
   59    HA   PHE   9           HA       PHE   9  -0.520  -3.150  -5.698
   60   1HB   PHE   9          HB2       PHE   9   1.492  -2.593  -7.954
   61   2HB   PHE   9          HB1       PHE   9   1.840  -3.770  -6.633
   62    HD1  PHE   9           HD1      PHE   9  -0.935  -2.963  -9.113
   63    HD2  PHE   9           HD2      PHE   9   1.205  -5.969  -6.894
   64    HE1  PHE   9           HE1      PHE   9  -2.221  -4.723 -10.255
   65    HE2  PHE   9           HE2      PHE   9  -0.079  -7.730  -8.059
   66    HZ   PHE   9           HZ       PHE   9  -1.797  -7.113  -9.745
   67    H    CYS  10           HN       CYS  10   0.896  -3.370  -3.967
   68    HA   CYS  10           HA       CYS  10   2.644  -1.061  -3.440
   69   1HB   CYS  10          HB2       CYS  10   2.282  -1.436  -0.998
   70   2HB   CYS  10          HB1       CYS  10   0.860  -0.782  -1.846
   71    H    SER  11           HN       SER  11   2.815  -3.656  -1.167
   72    HA   SER  11           HA       SER  11   4.023  -5.481  -2.863
   73   1HB   SER  11          HB2       SER  11   6.315  -5.594  -2.077
   74   2HB   SER  11          HB1       SER  11   6.039  -3.958  -2.745
   75    HG   SER  11           HG       SER  11   5.767  -3.233  -0.542
   76    H    LEU  12           HN       LEU  12   5.537  -6.063   0.032
   77    HA   LEU  12           HA       LEU  12   3.236  -6.829   1.511
   78   1HB   LEU  12          HB2       LEU  12   5.285  -8.837   0.320
   79   2HB   LEU  12          HB1       LEU  12   4.187  -9.247   1.686
   80    HG   LEU  12           HG       LEU  12   3.236  -8.440  -1.129
   81   1HD1  LEU  12          HD11      LEU  12   3.630 -11.264   0.041
   82   2HD1  LEU  12          HD12      LEU  12   4.540 -10.503  -1.320
   83   3HD1  LEU  12          HD13      LEU  12   2.791 -10.872  -1.510
   84   1HD2  LEU  12          HD21      LEU  12   1.542  -8.036   0.637
   85   2HD2  LEU  12          HD22      LEU  12   1.722  -9.725   1.241
   86   3HD2  LEU  12          HD23      LEU  12   1.058  -9.416  -0.405
   87    HA   PRO  13           HA       PRO  13   6.594  -5.624   4.095
   88   1HB   PRO  13          HB2       PRO  13   6.086  -7.039   6.528
   89   2HB   PRO  13          HB1       PRO  13   5.227  -5.553   5.980
   90   1HG   PRO  13          HG1       PRO  13   4.374  -8.472   5.648
   91   2HG   PRO  13          HG2       PRO  13   3.365  -7.047   6.147
   92   1HD   PRO  13          HD1       PRO  13   3.301  -7.974   3.569
   93   2HD   PRO  13          HD2       PRO  13   3.314  -6.176   3.898
   94    H    ILE  14           HN       ILE  14   6.642  -8.683   2.824
   95    HA   ILE  14           HA       ILE  14   9.056  -9.482   4.261
   96    HB   ILE  14           HB       ILE  14   7.218 -11.116   3.836
   97   1HG1  ILE  14          HG12      ILE  14   9.889 -11.843   2.501
   98   2HG1  ILE  14          HG11      ILE  14   9.583 -11.763   4.268
   99   1HG2  ILE  14          HG21      ILE  14   6.864 -12.030   1.565
  100   2HG2  ILE  14          HG22      ILE  14   8.031 -10.863   0.866
  101   3HG2  ILE  14          HG23      ILE  14   6.482 -10.281   1.589
  102   1HD1  ILE  14          HD11      ILE  14   9.386 -14.105   3.580
  103   2HD1  ILE  14          HD12      ILE  14   8.231 -13.690   2.264
  104   3HD1  ILE  14          HD13      ILE  14   7.737 -13.500   3.992
  105    H    LEU  15           HN       LEU  15   8.031  -7.482   1.681
  106    HA   LEU  15           HA       LEU  15  10.545  -7.933   0.201
  107   1HB   LEU  15          HB2       LEU  15   7.940  -6.679  -0.827
  108   2HB   LEU  15          HB1       LEU  15   9.467  -6.877  -1.749
  109    HG   LEU  15           HG       LEU  15   7.714  -9.145  -0.618
  110   1HD1  LEU  15          HD11      LEU  15   8.062  -8.181  -3.525
  111   2HD1  LEU  15          HD12      LEU  15   6.595  -7.963  -2.498
  112   3HD1  LEU  15          HD13      LEU  15   7.109  -9.614  -2.992
  113   1HD2  LEU  15          HD21      LEU  15  10.090  -9.875  -0.716
  114   2HD2  LEU  15          HD22      LEU  15  10.218  -9.314  -2.426
  115   3HD2  LEU  15          HD23      LEU  15   9.130 -10.687  -1.995
  116    H    LYS  16           HN       LYS  16   8.165  -5.268   0.641
  117    HA   LYS  16           HA       LYS  16  10.332  -3.729   1.892
  118   1HB   LYS  16          HB2       LYS  16   8.453  -2.881  -0.375
  119   2HB   LYS  16          HB1       LYS  16   8.970  -1.669   0.850
  120   1HG   LYS  16          HG2       LYS  16  11.252  -1.847   0.326
  121   2HG   LYS  16          HG1       LYS  16  11.050  -3.333  -0.653
  122   1HD   LYS  16          HD2       LYS  16   9.659  -0.698  -1.428
  123   2HD   LYS  16          HD1       LYS  16  11.380  -0.979  -1.858
  124   1HE   LYS  16          HE2       LYS  16   9.057  -2.842  -2.705
  125   2HE   LYS  16          HE1       LYS  16   9.819  -1.573  -3.749
  126   1HZ   LYS  16          HZ1       LYS  16  11.894  -2.744  -3.488
  127   2HZ   LYS  16          HZ2       LYS  16  10.760  -3.729  -4.119
  128   3HZ   LYS  16          HZ3       LYS  16  11.195  -3.880  -2.558
  129    H    ASN  17           HN       ASN  17   7.006  -2.696   1.219
  130    HA   ASN  17           HA       ASN  17   5.585  -3.838   3.144
  131   1HB   ASN  17          HB2       ASN  17   7.341  -2.347   4.679
  132   2HB   ASN  17          HB1       ASN  17   6.277  -1.003   4.167
  133   1HD2  ASN  17          HD21      ASN  17   6.756  -3.030   6.752
  134   2HD2  ASN  17          HD22      ASN  17   5.116  -3.215   7.292
  135    H    GLY  18           HN       GLY  18   3.780  -1.447   3.385
  136   1HA   GLY  18          HA2       GLY  18   4.294   0.277   1.240
  137   2HA   GLY  18          HA1       GLY  18   2.996  -0.955   0.842
  138    H    LEU  19           HN       LEU  19   2.825   2.091   1.591
  139    HA   LEU  19           HA       LEU  19   1.000   1.683   3.861
  140   1HB   LEU  19          HB2       LEU  19   2.543   4.255   3.150
  141   2HB   LEU  19          HB1       LEU  19   1.262   4.063   4.392
  142    HG   LEU  19           HG       LEU  19   2.830   2.125   5.319
  143   1HD1  LEU  19          HD11      LEU  19   5.269   2.645   5.159
  144   2HD1  LEU  19          HD12      LEU  19   4.934   3.926   3.939
  145   3HD1  LEU  19          HD13      LEU  19   4.612   2.198   3.554
  146   1HD2  LEU  19          HD21      LEU  19   2.134   4.204   6.536
  147   2HD2  LEU  19          HD22      LEU  19   3.536   5.088   5.816
  148   3HD2  LEU  19          HD23      LEU  19   3.820   3.695   6.926
  149    H    CYS  20           HN       CYS  20  -0.862   1.401   2.851
  150    HA   CYS  20           HA       CYS  20  -1.371   2.688   0.308
  151   1HB   CYS  20          HB2       CYS  20  -2.873   0.569   1.938
  152   2HB   CYS  20          HB1       CYS  20  -3.481   1.244   0.397
  153    H    CYS  21           HN       CYS  21  -3.187   4.077  -0.017
  154    HA   CYS  21           HA       CYS  21  -3.608   5.785   2.143
  155   1HB   CYS  21          HB2       CYS  21  -5.434   5.623  -0.312
  156   2HB   CYS  21          HB1       CYS  21  -5.230   7.015   0.794
  157    H    SER  22           HN       SER  22  -5.692   3.119   0.907
  158    HA   SER  22           HA       SER  22  -7.690   3.676   2.914
  159   1HB   SER  22          HB2       SER  22  -8.768   1.551   1.863
  160   2HB   SER  22          HB1       SER  22  -8.618   3.009   0.835
  161    HG   SER  22           HG       SER  22  -7.199   0.580   0.740
  162    H    GLY  23           HN       GLY  23  -4.679   2.591   3.455
  163   1HA   GLY  23          HA2       GLY  23  -4.171   1.830   5.490
  164   2HA   GLY  23          HA1       GLY  23  -5.760   1.005   5.644
  165    H    ALA  24           HN       ALA  24  -5.993  -0.814   3.735
  166    HA   ALA  24           HA       ALA  24  -3.966  -2.601   4.746
  167   1HB   ALA  24          HB1       ALA  24  -5.255  -4.444   3.734
  168   2HB   ALA  24          HB2       ALA  24  -6.290  -3.262   2.858
  169   3HB   ALA  24          HB3       ALA  24  -6.355  -3.358   4.656
  170    H    CYS  25           HN       CYS  25  -2.246  -3.522   3.649
  171    HA   CYS  25           HA       CYS  25  -2.021  -3.116   0.760
  172   1HB   CYS  25          HB2       CYS  25  -0.277  -1.653   1.916
  173   2HB   CYS  25          HB1       CYS  25   0.134  -3.001   2.993
  174    H    VAL  26           HN       VAL  26  -2.150  -5.211  -0.084
  175    HA   VAL  26           HA       VAL  26  -0.722  -7.291   1.295
  176    HB   VAL  26           HB       VAL  26  -2.808  -7.496   2.470
  177   1HG1  VAL  26          HG11      VAL  26  -4.270  -7.630  -0.249
  178   2HG1  VAL  26          HG12      VAL  26  -4.295  -6.244   0.903
  179   3HG1  VAL  26          HG13      VAL  26  -5.001  -7.817   1.383
  180   1HG2  VAL  26          HG21      VAL  26  -1.611  -9.570   1.863
  181   2HG2  VAL  26          HG22      VAL  26  -2.566  -9.709   0.335
  182   3HG2  VAL  26          HG23      VAL  26  -3.389  -9.833   1.931
  183    H    GLY  27           HN       GLY  27   0.462  -6.342  -0.686
  184   1HA   GLY  27          HA2       GLY  27   1.234  -6.915  -2.672
  185   2HA   GLY  27          HA1       GLY  27  -0.236  -7.915  -3.020
  186    H    VAL  28           HN       VAL  28  -2.291  -6.433  -2.813
  187    HA   VAL  28           HA       VAL  28  -1.874  -4.019  -4.445
  188    HB   VAL  28           HB       VAL  28  -4.412  -4.180  -4.774
  189   1HG1  VAL  28          HG11      VAL  28  -2.703  -4.716  -6.531
  190   2HG1  VAL  28          HG12      VAL  28  -4.128  -5.812  -6.649
  191   3HG1  VAL  28          HG13      VAL  28  -2.589  -6.406  -5.922
  192   1HG2  VAL  28          HG21      VAL  28  -5.449  -6.414  -4.448
  193   2HG2  VAL  28          HG22      VAL  28  -4.817  -5.832  -2.864
  194   3HG2  VAL  28          HG23      VAL  28  -3.922  -7.097  -3.796
  195    H    CYS  29           HN       CYS  29  -3.070  -2.153  -3.727
  196    HA   CYS  29           HA       CYS  29  -3.336  -2.009  -0.843
  197   1HB   CYS  29          HB2       CYS  29  -3.902  -0.028  -3.138
  198   2HB   CYS  29          HB1       CYS  29  -4.232   0.359  -1.418
  199    H    ALA  30           HN       ALA  30  -5.277  -2.215   0.263
  200    HA   ALA  30           HA       ALA  30  -7.734  -2.325  -1.332
  201   1HB   ALA  30          HB1       ALA  30  -6.836  -4.558   0.627
  202   2HB   ALA  30          HB2       ALA  30  -6.835  -4.732  -1.157
  203   3HB   ALA  30          HB3       ALA  30  -8.390  -4.513  -0.300
  204    H    ASP  31           HN       ASP  31  -8.995  -3.480   1.235
  205    HA   ASP  31           HA       ASP  31  -8.311  -1.617   3.227
  206   1HB   ASP  31          HB2       ASP  31 -10.707  -0.989   3.694
  207   2HB   ASP  31          HB1       ASP  31 -10.123  -0.218   2.186
  208    H    LEU  32           HN       LEU  32  -9.953  -2.605   5.106
  209    HA   LEU  32           HA       LEU  32 -10.741  -5.240   4.645
  210   1HB   LEU  32          HB2       LEU  32  -8.511  -4.481   6.681
  211   2HB   LEU  32          HB1       LEU  32  -9.512  -5.960   6.852
  212    HG   LEU  32           HG       LEU  32  -7.684  -5.382   4.440
  213   1HD1  LEU  32          HD11      LEU  32  -6.285  -5.519   6.474
  214   2HD1  LEU  32          HD12      LEU  32  -6.052  -6.970   5.431
  215   3HD1  LEU  32          HD13      LEU  32  -7.048  -7.088   6.927
  216   1HD2  LEU  32          HD21      LEU  32  -9.104  -7.966   5.341
  217   2HD2  LEU  32          HD22      LEU  32  -7.876  -7.856   4.024
  218   3HD2  LEU  32          HD23      LEU  32  -9.440  -6.990   3.861
  219   1HN   NH2  33          H1        NH2  33 -12.578  -3.977   7.576
  220   2HN   NH2  33          H2        NH2  33 -12.023  -5.474   6.898
  Start of MODEL   12
    1   1H    ASP   1          HT1       ASP   1   6.071   6.345  -2.446
    2   2H    ASP   1          HT2       ASP   1   7.172   7.510  -2.119
    3   3H    ASP   1          HT3       ASP   1   7.071   6.873  -3.619
    4    HA   ASP   1           HA       ASP   1   6.095   8.986  -3.672
    5   1HB   ASP   1          HB2       ASP   1   4.944   6.983  -4.908
    6   2HB   ASP   1          HB1       ASP   1   3.771   6.930  -3.551
    7    H    ASP   2           HN       ASP   2   3.064   8.783  -2.485
    8    HA   ASP   2           HA       ASP   2   3.859   9.772   0.162
    9   1HB   ASP   2          HB2       ASP   2   2.661  11.400  -1.362
   10   2HB   ASP   2          HB1       ASP   2   1.280  10.269  -1.477
   11    H    CYS   3           HN       CYS   3   0.520   8.789  -0.456
   12    HA   CYS   3           HA       CYS   3   1.103   6.200   0.811
   13   1HB   CYS   3          HB2       CYS   3  -1.306   5.950   1.215
   14   2HB   CYS   3          HB1       CYS   3  -0.604   7.319   2.102
   15    H    ILE   4           HN       ILE   4  -0.013   4.386  -0.254
   16    HA   ILE   4           HA       ILE   4   0.299   4.723  -3.131
   17    HB   ILE   4           HB       ILE   4  -0.031   2.156  -1.528
   18   1HG1  ILE   4          HG12      ILE   4   2.594   3.575  -2.310
   19   2HG1  ILE   4          HG11      ILE   4   1.922   3.461  -0.655
   20   1HG2  ILE   4          HG21      ILE   4   1.093   1.160  -3.581
   21   2HG2  ILE   4          HG22      ILE   4   1.077   2.775  -4.367
   22   3HG2  ILE   4          HG23      ILE   4  -0.469   1.914  -3.987
   23   1HD1  ILE   4          HD11      ILE   4   3.600   1.774  -0.794
   24   2HD1  ILE   4          HD12      ILE   4   2.950   1.116  -2.338
   25   3HD1  ILE   4          HD13      ILE   4   2.016   0.937  -0.796
   26    H    LYS   5           HN       LYS   5  -1.351   3.944  -4.577
   27    HA   LYS   5           HA       LYS   5  -3.781   5.121  -3.922
   28   1HB   LYS   5          HB2       LYS   5  -2.631   5.164  -6.190
   29   2HB   LYS   5          HB1       LYS   5  -2.936   3.399  -6.335
   30   1HG   LYS   5          HG2       LYS   5  -5.451   3.921  -6.313
   31   2HG   LYS   5          HG1       LYS   5  -5.027   5.662  -6.267
   32   1HD   LYS   5          HD2       LYS   5  -5.574   5.064  -8.545
   33   2HD   LYS   5          HD1       LYS   5  -3.812   5.387  -8.471
   34   1HE   LYS   5          HE2       LYS   5  -4.312   3.405  -9.906
   35   2HE   LYS   5          HE1       LYS   5  -3.373   2.881  -8.455
   36   1HZ   LYS   5          HZ1       LYS   5  -6.275   2.626  -8.848
   37   2HZ   LYS   5          HZ2       LYS   5  -5.492   2.231  -7.479
   38   3HZ   LYS   5          HZ3       LYS   5  -5.175   1.427  -8.854
   39    HA   HYP   6           HA       HYP   6  -5.844   1.352  -2.705
   40   1HB   HYP   6          HB1       HYP   6  -8.170   1.808  -2.284
   41   2HB   HYP   6          HB2       HYP   6  -8.375   2.578  -3.903
   42   1HD   HYP   6          HD1       HYP   6  -6.707   4.703  -4.378
   43   2HD   HYP   6          HD2       HYP   6  -5.667   5.146  -2.957
   44    HOD  HYP   6           HOD      HYP   6  -6.965   2.919  -0.846
   45    HG   HYP   6           HG       HYP   6  -8.272   4.551  -2.465
   46    H    TYR   7           HN       TYR   7  -6.023  -0.659  -3.821
   47    HA   TYR   7           HA       TYR   7  -5.744  -2.006  -5.391
   48   1HB   TYR   7          HB2       TYR   7  -7.887  -0.386  -6.852
   49   2HB   TYR   7          HB1       TYR   7  -7.214  -1.933  -7.494
   50    HD1  TYR   7           HD1      TYR   7  -9.619  -0.522  -5.174
   51    HD2  TYR   7           HD2      TYR   7  -7.188  -3.975  -5.962
   52    HE1  TYR   7           HE1      TYR   7 -11.093  -1.888  -3.736
   53    HE2  TYR   7           HE2      TYR   7  -8.641  -5.344  -4.534
   54    HH   TYR   7           HH       TYR   7 -10.508  -5.398  -3.236
   55    H    GLY   8           HN       GLY   8  -3.893   0.313  -5.297
   56   1HA   GLY   8          HA2       GLY   8  -2.704  -0.186  -7.943
   57   2HA   GLY   8          HA1       GLY   8  -2.158   0.958  -6.635
   58    H    PHE   9           HN       PHE   9  -0.290  -1.030  -7.607
   59    HA   PHE   9           HA       PHE   9  -0.426  -3.208  -5.698
   60   1HB   PHE   9          HB2       PHE   9   1.642  -2.468  -7.860
   61   2HB   PHE   9          HB1       PHE   9   1.935  -3.754  -6.629
   62    HD1  PHE   9           HD1      PHE   9   0.193  -2.978  -9.753
   63    HD2  PHE   9           HD2      PHE   9   0.334  -5.661  -6.397
   64    HE1  PHE   9           HE1      PHE   9  -1.122  -4.646 -11.023
   65    HE2  PHE   9           HE2      PHE   9  -0.972  -7.326  -7.671
   66    HZ   PHE   9           HZ       PHE   9  -1.710  -6.820  -9.985
   67    H    CYS  10           HN       CYS  10   0.964  -3.419  -3.910
   68    HA   CYS  10           HA       CYS  10   1.882  -0.762  -3.043
   69   1HB   CYS  10          HB2       CYS  10   1.395  -1.394  -0.738
   70   2HB   CYS  10          HB1       CYS  10  -0.019  -1.495  -1.802
   71    H    SER  11           HN       SER  11   3.306  -1.322  -0.835
   72    HA   SER  11           HA       SER  11   5.408  -2.952  -1.008
   73   1HB   SER  11          HB2       SER  11   7.156  -1.042  -1.596
   74   2HB   SER  11          HB1       SER  11   6.361  -1.853  -2.984
   75    HG   SER  11           HG       SER  11   5.010  -0.195  -3.232
   76    H    LEU  12           HN       LEU  12   6.870  -0.400   0.299
   77    HA   LEU  12           HA       LEU  12   5.046   0.226   2.380
   78   1HB   LEU  12          HB2       LEU  12   6.921  -2.112   2.511
   79   2HB   LEU  12          HB1       LEU  12   7.481  -0.845   3.623
   80    HG   LEU  12           HG       LEU  12   5.167  -0.811   4.683
   81   1HD1  LEU  12          HD11      LEU  12   3.749  -1.870   2.984
   82   2HD1  LEU  12          HD12      LEU  12   3.769  -2.919   4.440
   83   3HD1  LEU  12          HD13      LEU  12   4.750  -3.370   2.998
   84   1HD2  LEU  12          HD21      LEU  12   7.122  -1.922   5.733
   85   2HD2  LEU  12          HD22      LEU  12   6.771  -3.446   4.836
   86   3HD2  LEU  12          HD23      LEU  12   5.603  -2.830   6.065
   87    HA   PRO  13           HA       PRO  13   8.371   3.370   2.184
   88   1HB   PRO  13          HB2       PRO  13   9.283   2.485   4.974
   89   2HB   PRO  13          HB1       PRO  13   9.157   4.176   4.331
   90   1HG   PRO  13          HG1       PRO  13   7.172   3.200   5.924
   91   2HG   PRO  13          HG2       PRO  13   6.732   4.081   4.403
   92   1HD   PRO  13          HD1       PRO  13   6.826   1.049   4.885
   93   2HD   PRO  13          HD2       PRO  13   5.577   2.024   3.980
   94    H    ILE  14           HN       ILE  14  10.667   3.594   1.709
   95    HA   ILE  14           HA       ILE  14  12.468   1.519   2.156
   96    HB   ILE  14           HB       ILE  14  11.315   0.163   0.541
   97   1HG1  ILE  14          HG12      ILE  14  12.956  -0.052  -1.330
   98   2HG1  ILE  14          HG11      ILE  14  13.740   1.484  -0.836
   99   1HG2  ILE  14          HG21      ILE  14   9.886   1.933  -0.530
  100   2HG2  ILE  14          HG22      ILE  14  10.657   0.811  -1.696
  101   3HG2  ILE  14          HG23      ILE  14  11.317   2.464  -1.511
  102   1HD1  ILE  14          HD11      ILE  14  13.487  -1.043   0.940
  103   2HD1  ILE  14          HD12      ILE  14  14.371   0.474   1.369
  104   3HD1  ILE  14          HD13      ILE  14  14.948  -0.553   0.013
  105    H    LEU  15           HN       LEU  15  11.237   3.968  -0.105
  106    HA   LEU  15           HA       LEU  15  13.332   5.781   0.857
  107   1HB   LEU  15          HB2       LEU  15  11.731   6.039  -1.779
  108   2HB   LEU  15          HB1       LEU  15  12.999   7.169  -1.186
  109    HG   LEU  15           HG       LEU  15  13.434   4.248  -2.059
  110   1HD1  LEU  15          HD11      LEU  15  14.500   5.186  -4.091
  111   2HD1  LEU  15          HD12      LEU  15  14.117   6.863  -3.551
  112   3HD1  LEU  15          HD13      LEU  15  12.784   5.717  -3.962
  113   1HD2  LEU  15          HD21      LEU  15  15.523   6.405  -1.322
  114   2HD2  LEU  15          HD22      LEU  15  15.875   4.785  -2.026
  115   3HD2  LEU  15          HD23      LEU  15  15.151   4.904  -0.389
  116    H    LYS  16           HN       LYS  16  11.553   8.032   0.017
  117    HA   LYS  16           HA       LYS  16   9.572   7.831   2.035
  118   1HB   LYS  16          HB2       LYS  16   9.941   9.838  -0.260
  119   2HB   LYS  16          HB1       LYS  16   8.621   9.970   0.949
  120   1HG   LYS  16          HG2       LYS  16  11.609   9.947   1.711
  121   2HG   LYS  16          HG1       LYS  16  10.646  11.434   1.401
  122   1HD   LYS  16          HD2       LYS  16   9.058  10.824   3.214
  123   2HD   LYS  16          HD1       LYS  16  10.013   9.341   3.578
  124   1HE   LYS  16          HE2       LYS  16  11.992  10.739   4.210
  125   2HE   LYS  16          HE1       LYS  16  11.068  12.243   3.803
  126   1HZ   LYS  16          HZ1       LYS  16   9.529  11.672   5.518
  127   2HZ   LYS  16          HZ2       LYS  16  11.033  11.725   6.130
  128   3HZ   LYS  16          HZ3       LYS  16  10.312  10.291   5.872
  129    H    ASN  17           HN       ASN  17   7.543   6.901   1.960
  130    HA   ASN  17           HA       ASN  17   5.967   6.558  -0.187
  131   1HB   ASN  17          HB2       ASN  17   8.078   4.895  -0.749
  132   2HB   ASN  17          HB1       ASN  17   7.409   3.930   0.595
  133   1HD2  ASN  17          HD21      ASN  17   6.558   2.164  -0.505
  134   2HD2  ASN  17          HD22      ASN  17   5.518   2.233  -1.876
  135    H    GLY  18           HN       GLY  18   4.661   4.183   1.149
  136   1HA   GLY  18          HA2       GLY  18   4.718   4.646   3.882
  137   2HA   GLY  18          HA1       GLY  18   3.487   5.683   3.001
  138    H    LEU  19           HN       LEU  19   1.921   4.137   4.106
  139    HA   LEU  19           HA       LEU  19   1.807   1.509   2.876
  140   1HB   LEU  19          HB2       LEU  19  -0.125   2.844   4.889
  141   2HB   LEU  19          HB1       LEU  19  -0.202   1.146   4.324
  142    HG   LEU  19           HG       LEU  19   0.607   1.081   6.489
  143   1HD1  LEU  19          HD11      LEU  19   2.738  -0.124   6.273
  144   2HD1  LEU  19          HD12      LEU  19   3.060   0.629   4.671
  145   3HD1  LEU  19          HD13      LEU  19   1.667  -0.501   4.873
  146   1HD2  LEU  19          HD21      LEU  19   2.534   2.189   7.450
  147   2HD2  LEU  19          HD22      LEU  19   1.434   3.434   6.752
  148   3HD2  LEU  19          HD23      LEU  19   2.958   2.975   5.891
  149    H    CYS  20           HN       CYS  20  -1.089   1.441   2.788
  150    HA   CYS  20           HA       CYS  20  -1.408   2.856   0.274
  151   1HB   CYS  20          HB2       CYS  20  -3.142   0.794   1.746
  152   2HB   CYS  20          HB1       CYS  20  -3.526   1.501   0.146
  153    H    CYS  21           HN       CYS  21  -3.305   4.196  -0.079
  154    HA   CYS  21           HA       CYS  21  -3.654   5.936   2.092
  155   1HB   CYS  21          HB2       CYS  21  -5.416   5.798  -0.409
  156   2HB   CYS  21          HB1       CYS  21  -5.237   7.195   0.696
  157    H    SER  22           HN       SER  22  -5.659   3.225   0.889
  158    HA   SER  22           HA       SER  22  -7.723   3.764   2.833
  159   1HB   SER  22          HB2       SER  22  -8.621   1.530   1.779
  160   2HB   SER  22          HB1       SER  22  -8.592   3.009   0.765
  161    HG   SER  22           HG       SER  22  -7.031   0.700   0.657
  162    H    GLY  23           HN       GLY  23  -4.647   2.756   3.283
  163   1HA   GLY  23          HA2       GLY  23  -3.993   2.077   5.289
  164   2HA   GLY  23          HA1       GLY  23  -5.518   1.147   5.550
  165    H    ALA  24           HN       ALA  24  -5.781  -0.699   3.781
  166    HA   ALA  24           HA       ALA  24  -3.580  -2.316   4.682
  167   1HB   ALA  24          HB1       ALA  24  -6.065  -3.210   3.118
  168   2HB   ALA  24          HB2       ALA  24  -5.920  -3.170   4.914
  169   3HB   ALA  24          HB3       ALA  24  -4.889  -4.285   3.955
  170    H    CYS  25           HN       CYS  25  -2.398  -3.928   3.355
  171    HA   CYS  25           HA       CYS  25  -2.060  -3.289   0.571
  172   1HB   CYS  25          HB2       CYS  25  -0.253  -1.933   1.666
  173   2HB   CYS  25          HB1       CYS  25  -0.011  -3.194   2.897
  174    H    VAL  26           HN       VAL  26  -2.042  -5.389  -0.325
  175    HA   VAL  26           HA       VAL  26  -0.912  -7.556   1.164
  176    HB   VAL  26           HB       VAL  26  -3.109  -7.601   2.176
  177   1HG1  VAL  26          HG11      VAL  26  -4.320  -7.748  -0.664
  178   2HG1  VAL  26          HG12      VAL  26  -4.373  -6.315   0.429
  179   3HG1  VAL  26          HG13      VAL  26  -5.201  -7.835   0.899
  180   1HG2  VAL  26          HG21      VAL  26  -3.749  -9.919   1.647
  181   2HG2  VAL  26          HG22      VAL  26  -1.960  -9.749   1.699
  182   3HG2  VAL  26          HG23      VAL  26  -2.807  -9.878   0.114
  183    H    GLY  27           HN       GLY  27   0.246  -6.382  -0.790
  184   1HA   GLY  27          HA2       GLY  27   1.206  -7.011  -2.751
  185   2HA   GLY  27          HA1       GLY  27  -0.239  -8.019  -3.176
  186    H    VAL  28           HN       VAL  28  -2.346  -6.606  -3.096
  187    HA   VAL  28           HA       VAL  28  -1.913  -4.116  -4.587
  188    HB   VAL  28           HB       VAL  28  -4.441  -4.136  -4.804
  189   1HG1  VAL  28          HG11      VAL  28  -2.897  -4.766  -6.649
  190   2HG1  VAL  28          HG12      VAL  28  -4.381  -5.783  -6.687
  191   3HG1  VAL  28          HG13      VAL  28  -2.838  -6.465  -6.053
  192   1HG2  VAL  28          HG21      VAL  28  -5.623  -6.292  -4.452
  193   2HG2  VAL  28          HG22      VAL  28  -4.913  -5.747  -2.895
  194   3HG2  VAL  28          HG23      VAL  28  -4.131  -7.076  -3.836
  195    H    CYS  29           HN       CYS  29  -3.029  -2.224  -3.736
  196    HA   CYS  29           HA       CYS  29  -3.225  -2.140  -0.845
  197   1HB   CYS  29          HB2       CYS  29  -3.984  -0.201  -3.107
  198   2HB   CYS  29          HB1       CYS  29  -4.298   0.182  -1.387
  199    H    ALA  30           HN       ALA  30  -5.170  -2.089   0.352
  200    HA   ALA  30           HA       ALA  30  -7.663  -2.241  -1.141
  201   1HB   ALA  30          HB1       ALA  30  -8.421  -4.357  -0.049
  202   2HB   ALA  30          HB2       ALA  30  -6.829  -4.506   0.804
  203   3HB   ALA  30          HB3       ALA  30  -6.930  -4.682  -0.982
  204    H    ASP  31           HN       ASP  31  -8.810  -3.323   1.551
  205    HA   ASP  31           HA       ASP  31  -8.053  -1.394   3.445
  206   1HB   ASP  31          HB2       ASP  31 -10.536  -0.888   3.987
  207   2HB   ASP  31          HB1       ASP  31  -9.885  -0.007   2.572
  208    H    LEU  32           HN       LEU  32  -9.396  -2.451   5.502
  209    HA   LEU  32           HA       LEU  32 -10.250  -5.067   5.125
  210   1HB   LEU  32          HB2       LEU  32  -7.691  -4.416   6.776
  211   2HB   LEU  32          HB1       LEU  32  -8.681  -5.888   7.042
  212    HG   LEU  32           HG       LEU  32  -7.219  -5.228   4.422
  213   1HD1  LEU  32          HD11      LEU  32  -5.509  -6.890   5.078
  214   2HD1  LEU  32          HD12      LEU  32  -6.322  -7.141   6.669
  215   3HD1  LEU  32          HD13      LEU  32  -5.582  -5.545   6.274
  216   1HD2  LEU  32          HD21      LEU  32  -8.564  -7.843   5.352
  217   2HD2  LEU  32          HD22      LEU  32  -7.568  -7.635   3.862
  218   3HD2  LEU  32          HD23      LEU  32  -9.117  -6.745   4.028
  219   1HN   NH2  33          H1        NH2  33 -11.454  -3.935   8.433
  220   2HN   NH2  33          H2        NH2  33 -11.059  -5.401   7.598
  Start of MODEL   13
    1   1H    ASP   1          HT1       ASP   1   1.170  14.408   1.994
    2   2H    ASP   1          HT2       ASP   1   1.074  14.471   3.633
    3   3H    ASP   1          HT3       ASP   1  -0.089  13.728   2.758
    4    HA   ASP   1           HA       ASP   1   2.647  12.851   3.170
    5   1HB   ASP   1          HB2       ASP   1   1.615  10.661   3.834
    6   2HB   ASP   1          HB1       ASP   1   0.979  11.987   4.849
    7    H    ASP   2           HN       ASP   2   2.185  10.194   1.861
    8    HA   ASP   2           HA       ASP   2   1.187  10.731  -0.712
    9   1HB   ASP   2          HB2       ASP   2   4.123   9.812  -0.170
   10   2HB   ASP   2          HB1       ASP   2   3.258   9.530  -1.729
   11    H    CYS   3           HN       CYS   3   0.781   8.253  -1.418
   12    HA   CYS   3           HA       CYS   3   1.383   6.301   0.426
   13   1HB   CYS   3          HB2       CYS   3  -1.071   5.764   1.012
   14   2HB   CYS   3          HB1       CYS   3  -0.337   7.093   1.935
   15    H    ILE   4           HN       ILE   4   0.066   4.370  -0.499
   16    HA   ILE   4           HA       ILE   4   0.192   4.622  -3.392
   17    HB   ILE   4           HB       ILE   4  -0.118   2.162  -1.606
   18   1HG1  ILE   4          HG12      ILE   4   2.064   3.312  -1.189
   19   2HG1  ILE   4          HG11      ILE   4   2.205   1.668  -1.877
   20   1HG2  ILE   4          HG21      ILE   4   0.515   2.424  -4.636
   21   2HG2  ILE   4          HG22      ILE   4  -0.957   1.691  -3.898
   22   3HG2  ILE   4          HG23      ILE   4   0.634   0.907  -3.672
   23   1HD1  ILE   4          HD11      ILE   4   2.486   4.269  -3.531
   24   2HD1  ILE   4          HD12      ILE   4   2.744   2.583  -4.124
   25   3HD1  ILE   4          HD13      ILE   4   3.842   3.277  -2.890
   26    H    LYS   5           HN       LYS   5  -1.530   3.942  -4.670
   27    HA   LYS   5           HA       LYS   5  -3.945   5.095  -3.888
   28   1HB   LYS   5          HB2       LYS   5  -2.919   5.226  -6.209
   29   2HB   LYS   5          HB1       LYS   5  -3.132   3.447  -6.376
   30   1HG   LYS   5          HG2       LYS   5  -5.615   3.754  -6.252
   31   2HG   LYS   5          HG1       LYS   5  -5.384   5.540  -6.157
   32   1HD   LYS   5          HD2       LYS   5  -4.334   5.521  -8.417
   33   2HD   LYS   5          HD1       LYS   5  -4.454   3.728  -8.484
   34   1HE   LYS   5          HE2       LYS   5  -6.857   5.675  -8.311
   35   2HE   LYS   5          HE1       LYS   5  -6.294   4.818  -9.801
   36   1HZ   LYS   5          HZ1       LYS   5  -6.804   2.762  -8.729
   37   2HZ   LYS   5          HZ2       LYS   5  -8.118   3.723  -8.704
   38   3HZ   LYS   5          HZ3       LYS   5  -7.247   3.499  -7.349
   39    HA   HYP   6           HA       HYP   6  -5.861   1.278  -2.602
   40   1HB   HYP   6          HB1       HYP   6  -8.172   1.681  -2.123
   41   2HB   HYP   6          HB2       HYP   6  -8.478   2.302  -3.784
   42   1HD   HYP   6          HD1       HYP   6  -6.909   4.479  -4.456
   43   2HD   HYP   6          HD2       HYP   6  -5.901   5.108  -3.083
   44    HOD  HYP   6           HOD      HYP   6  -7.019   2.960  -0.823
   45    HG   HYP   6           HG       HYP   6  -8.458   4.402  -2.526
   46    H    TYR   7           HN       TYR   7  -5.905  -0.767  -3.758
   47    HA   TYR   7           HA       TYR   7  -5.710  -2.098  -5.350
   48   1HB   TYR   7          HB2       TYR   7  -7.787  -0.483  -6.922
   49   2HB   TYR   7          HB1       TYR   7  -7.250  -2.174  -7.281
   50    HD1  TYR   7           HD1      TYR   7  -9.433  -0.127  -5.194
   51    HD2  TYR   7           HD2      TYR   7  -7.426  -3.919  -5.440
   52    HE1  TYR   7           HE1      TYR   7 -10.833  -0.990  -3.342
   53    HE2  TYR   7           HE2      TYR   7  -8.801  -4.780  -3.597
   54    HH   TYR   7           HH       TYR   7 -10.395  -4.309  -2.073
   55    H    GLY   8           HN       GLY   8  -3.846   0.167  -5.243
   56   1HA   GLY   8          HA2       GLY   8  -2.703  -0.298  -7.919
   57   2HA   GLY   8          HA1       GLY   8  -2.243   0.989  -6.715
   58    H    PHE   9           HN       PHE   9  -0.229  -0.880  -7.616
   59    HA   PHE   9           HA       PHE   9  -0.187  -3.109  -5.830
   60   1HB   PHE   9          HB2       PHE   9   2.147  -2.020  -7.533
   61   2HB   PHE   9          HB1       PHE   9   1.974  -3.683  -6.859
   62    HD1  PHE   9           HD1      PHE   9  -0.155  -5.034  -7.676
   63    HD2  PHE   9           HD2      PHE   9   1.467  -1.608  -9.715
   64    HE1  PHE   9           HE1      PHE   9  -1.287  -5.730  -9.763
   65    HE2  PHE   9           HE2      PHE   9   0.345  -2.317 -11.796
   66    HZ   PHE   9           HZ       PHE   9  -1.035  -4.376 -11.829
   67    H    CYS  10           HN       CYS  10   0.994  -3.249  -3.845
   68    HA   CYS  10           HA       CYS  10   2.355  -0.725  -3.065
   69   1HB   CYS  10          HB2       CYS  10   2.089  -1.586  -0.666
   70   2HB   CYS  10          HB1       CYS  10   0.691  -0.876  -1.510
   71    H    SER  11           HN       SER  11   4.304  -1.323  -4.277
   72    HA   SER  11           HA       SER  11   6.028  -2.688  -2.550
   73   1HB   SER  11          HB2       SER  11   7.129  -3.895  -4.609
   74   2HB   SER  11          HB1       SER  11   5.660  -4.693  -3.940
   75    HG   SER  11           HG       SER  11   4.442  -3.733  -5.536
   76    H    LEU  12           HN       LEU  12   8.278  -1.982  -3.652
   77    HA   LEU  12           HA       LEU  12   8.258   0.140  -5.417
   78   1HB   LEU  12          HB2       LEU  12   9.150   0.545  -2.452
   79   2HB   LEU  12          HB1       LEU  12   9.629   1.628  -3.792
   80    HG   LEU  12           HG       LEU  12   6.807   1.292  -2.652
   81   1HD1  LEU  12          HD11      LEU  12   8.744   3.706  -2.614
   82   2HD1  LEU  12          HD12      LEU  12   8.467   2.591  -1.233
   83   3HD1  LEU  12          HD13      LEU  12   7.118   3.620  -1.842
   84   1HD2  LEU  12          HD21      LEU  12   6.650   1.775  -5.115
   85   2HD2  LEU  12          HD22      LEU  12   7.735   3.199  -4.905
   86   3HD2  LEU  12          HD23      LEU  12   6.112   3.168  -4.121
   87    HA   PRO  13           HA       PRO  13  12.169  -2.264  -5.177
   88   1HB   PRO  13          HB2       PRO  13  13.629   0.314  -4.330
   89   2HB   PRO  13          HB1       PRO  13  14.235  -0.980  -5.448
   90   1HG   PRO  13          HG1       PRO  13  13.168   1.293  -6.515
   91   2HG   PRO  13          HG2       PRO  13  12.639  -0.309  -7.175
   92   1HD   PRO  13          HD1       PRO  13  11.180   1.491  -5.174
   93   2HD   PRO  13          HD2       PRO  13  10.493   0.549  -6.576
   94    H    ILE  14           HN       ILE  14  12.246  -3.690  -3.461
   95    HA   ILE  14           HA       ILE  14  10.929  -2.585  -1.281
   96    HB   ILE  14           HB       ILE  14  10.004  -4.440  -2.363
   97   1HG1  ILE  14          HG12      ILE  14   9.556  -5.963  -0.450
   98   2HG1  ILE  14          HG11      ILE  14  10.868  -5.192   0.498
   99   1HG2  ILE  14          HG21      ILE  14  12.478  -6.078  -1.532
  100   2HG2  ILE  14          HG22      ILE  14  12.039  -5.583  -3.208
  101   3HG2  ILE  14          HG23      ILE  14  10.986  -6.714  -2.302
  102   1HD1  ILE  14          HD11      ILE  14   8.565  -4.325   1.086
  103   2HD1  ILE  14          HD12      ILE  14   8.358  -3.737  -0.605
  104   3HD1  ILE  14          HD13      ILE  14   9.618  -3.010   0.464
  105    H    LEU  15           HN       LEU  15  12.015  -1.506   0.059
  106    HA   LEU  15           HA       LEU  15  13.600  -2.681   2.060
  107   1HB   LEU  15          HB2       LEU  15  14.791  -0.462   0.209
  108   2HB   LEU  15          HB1       LEU  15  15.352  -0.723   1.897
  109    HG   LEU  15           HG       LEU  15  15.567  -2.789  -0.373
  110   1HD1  LEU  15          HD11      LEU  15  17.990  -2.206  -0.429
  111   2HD1  LEU  15          HD12      LEU  15  17.717  -0.899   0.782
  112   3HD1  LEU  15          HD13      LEU  15  16.964  -0.787  -0.853
  113   1HD2  LEU  15          HD21      LEU  15  16.787  -2.763   2.470
  114   2HD2  LEU  15          HD22      LEU  15  17.177  -3.947   1.167
  115   3HD2  LEU  15          HD23      LEU  15  15.518  -3.890   1.846
  116    H    LYS  16           HN       LYS  16  12.736   0.202   0.144
  117    HA   LYS  16           HA       LYS  16  11.172   1.217   2.405
  118   1HB   LYS  16          HB2       LYS  16  11.494   2.324  -0.457
  119   2HB   LYS  16          HB1       LYS  16  10.609   3.110   0.899
  120   1HG   LYS  16          HG2       LYS  16  12.774   3.294   2.177
  121   2HG   LYS  16          HG1       LYS  16  13.647   2.542   0.798
  122   1HD   LYS  16          HD2       LYS  16  12.904   4.430  -0.688
  123   2HD   LYS  16          HD1       LYS  16  12.079   5.194   0.722
  124   1HE   LYS  16          HE2       LYS  16  14.305   5.371   1.912
  125   2HE   LYS  16          HE1       LYS  16  15.121   4.609   0.485
  126   1HZ   LYS  16          HZ1       LYS  16  14.364   6.466  -0.817
  127   2HZ   LYS  16          HZ2       LYS  16  15.268   6.966   0.438
  128   3HZ   LYS  16          HZ3       LYS  16  13.651   7.154   0.477
  129    H    ASN  17           HN       ASN  17   8.786   1.530   1.879
  130    HA   ASN  17           HA       ASN  17   7.798   0.426  -0.478
  131   1HB   ASN  17          HB2       ASN  17   7.735  -1.627   1.220
  132   2HB   ASN  17          HB1       ASN  17   6.542  -0.649   2.148
  133   1HD2  ASN  17          HD22      ASN  17   5.791  -3.175   1.065
  134   2HD2  ASN  17          HD21      ASN  17   4.748  -2.970  -0.309
  135    H    GLY  18           HN       GLY  18   5.287   1.144  -0.039
  136   1HA   GLY  18          HA2       GLY  18   5.439   3.767   1.328
  137   2HA   GLY  18          HA1       GLY  18   4.350   3.287  -0.043
  138    H    LEU  19           HN       LEU  19   2.500   3.976   1.503
  139    HA   LEU  19           HA       LEU  19   1.765   1.695   3.141
  140   1HB   LEU  19          HB2       LEU  19   1.279   4.695   3.801
  141   2HB   LEU  19          HB1       LEU  19   0.403   3.331   4.557
  142    HG   LEU  19           HG       LEU  19   1.961   4.138   6.123
  143   1HD1  LEU  19          HD11      LEU  19   3.256   2.157   6.724
  144   2HD1  LEU  19          HD12      LEU  19   3.214   1.537   5.034
  145   3HD1  LEU  19          HD13      LEU  19   1.694   1.634   6.005
  146   1HD2  LEU  19          HD21      LEU  19   4.362   4.370   5.894
  147   2HD2  LEU  19          HD22      LEU  19   3.561   5.317   4.586
  148   3HD2  LEU  19          HD23      LEU  19   4.344   3.729   4.219
  149    H    CYS  20           HN       CYS  20  -0.685   1.600   2.907
  150    HA   CYS  20           HA       CYS  20  -1.426   2.632   0.280
  151   1HB   CYS  20          HB2       CYS  20  -2.770   0.663   2.221
  152   2HB   CYS  20          HB1       CYS  20  -3.491   1.193   0.672
  153    H    CYS  21           HN       CYS  21  -3.122   4.139  -0.001
  154    HA   CYS  21           HA       CYS  21  -3.498   5.870   2.153
  155   1HB   CYS  21          HB2       CYS  21  -5.305   5.669  -0.319
  156   2HB   CYS  21          HB1       CYS  21  -5.141   7.074   0.779
  157    H    SER  22           HN       SER  22  -5.568   3.191   0.915
  158    HA   SER  22           HA       SER  22  -7.617   3.800   2.845
  159   1HB   SER  22          HB2       SER  22  -8.634   1.658   1.735
  160   2HB   SER  22          HB1       SER  22  -8.495   3.159   0.768
  161    HG   SER  22           HG       SER  22  -7.068   0.761   0.616
  162    H    GLY  23           HN       GLY  23  -4.627   2.576   3.365
  163   1HA   GLY  23          HA2       GLY  23  -4.158   1.970   5.446
  164   2HA   GLY  23          HA1       GLY  23  -5.767   1.195   5.656
  165    H    ALA  24           HN       ALA  24  -5.636  -0.591   3.314
  166    HA   ALA  24           HA       ALA  24  -3.823  -2.470   4.715
  167   1HB   ALA  24          HB1       ALA  24  -5.215  -4.315   3.892
  168   2HB   ALA  24          HB2       ALA  24  -6.267  -3.160   2.997
  169   3HB   ALA  24          HB3       ALA  24  -6.232  -3.142   4.800
  170    H    CYS  25           HN       CYS  25  -2.447  -3.841   3.459
  171    HA   CYS  25           HA       CYS  25  -2.160  -3.224   0.638
  172   1HB   CYS  25          HB2       CYS  25  -0.183  -2.132   1.822
  173   2HB   CYS  25          HB1       CYS  25   0.002  -3.584   2.836
  174    H    VAL  26           HN       VAL  26  -2.266  -5.282  -0.385
  175    HA   VAL  26           HA       VAL  26  -1.492  -7.606   1.162
  176    HB   VAL  26           HB       VAL  26  -3.871  -7.326   1.690
  177   1HG1  VAL  26          HG11      VAL  26  -5.637  -7.431  -0.042
  178   2HG1  VAL  26          HG12      VAL  26  -4.407  -7.401  -1.352
  179   3HG1  VAL  26          HG13      VAL  26  -4.605  -5.978  -0.265
  180   1HG2  VAL  26          HG21      VAL  26  -3.403  -9.696  -0.226
  181   2HG2  VAL  26          HG22      VAL  26  -4.644  -9.571   1.071
  182   3HG2  VAL  26          HG23      VAL  26  -2.894  -9.605   1.502
  183    H    GLY  27           HN       GLY  27  -0.073  -6.126  -0.681
  184   1HA   GLY  27          HA2       GLY  27   1.233  -6.787  -2.441
  185   2HA   GLY  27          HA1       GLY  27  -0.093  -7.856  -3.063
  186    H    VAL  28           HN       VAL  28  -2.267  -6.381  -3.113
  187    HA   VAL  28           HA       VAL  28  -1.654  -3.866  -4.511
  188    HB   VAL  28           HB       VAL  28  -4.097  -3.872  -5.122
  189   1HG1  VAL  28          HG11      VAL  28  -2.317  -4.468  -6.739
  190   2HG1  VAL  28          HG12      VAL  28  -3.776  -5.482  -7.022
  191   3HG1  VAL  28          HG13      VAL  28  -2.345  -6.188  -6.185
  192   1HG2  VAL  28          HG21      VAL  28  -5.352  -6.018  -5.026
  193   2HG2  VAL  28          HG22      VAL  28  -4.895  -5.518  -3.367
  194   3HG2  VAL  28          HG23      VAL  28  -3.985  -6.840  -4.200
  195    H    CYS  29           HN       CYS  29  -2.944  -2.038  -3.649
  196    HA   CYS  29           HA       CYS  29  -3.326  -2.256  -0.785
  197   1HB   CYS  29          HB2       CYS  29  -4.034  -0.053  -2.788
  198   2HB   CYS  29          HB1       CYS  29  -4.285   0.103  -1.021
  199    H    ALA  30           HN       ALA  30  -5.339  -2.056   0.335
  200    HA   ALA  30           HA       ALA  30  -7.757  -2.117  -1.249
  201   1HB   ALA  30          HB1       ALA  30  -8.646  -4.213  -0.173
  202   2HB   ALA  30          HB2       ALA  30  -7.057  -4.465   0.660
  203   3HB   ALA  30          HB3       ALA  30  -7.180  -4.595  -1.128
  204    H    ASP  31           HN       ASP  31  -8.921  -3.228   1.481
  205    HA   ASP  31           HA       ASP  31  -8.136  -1.350   3.382
  206   1HB   ASP  31          HB2       ASP  31 -10.628  -0.671   3.824
  207   2HB   ASP  31          HB1       ASP  31  -9.804   0.205   2.511
  208    H    LEU  32           HN       LEU  32 -10.130  -2.233   5.185
  209    HA   LEU  32           HA       LEU  32 -10.736  -4.935   4.598
  210   1HB   LEU  32          HB2       LEU  32  -9.390  -3.969   7.234
  211   2HB   LEU  32          HB1       LEU  32 -10.223  -5.546   7.039
  212    HG   LEU  32           HG       LEU  32  -7.675  -4.657   5.559
  213   1HD1  LEU  32          HD11      LEU  32  -7.980  -6.641   7.900
  214   2HD1  LEU  32          HD12      LEU  32  -7.266  -4.987   7.993
  215   3HD1  LEU  32          HD13      LEU  32  -6.459  -6.266   7.013
  216   1HD2  LEU  32          HD21      LEU  32  -7.461  -7.063   4.877
  217   2HD2  LEU  32          HD22      LEU  32  -8.919  -6.285   4.177
  218   3HD2  LEU  32          HD23      LEU  32  -9.084  -7.406   5.584
  219   1HN   NH2  33          H1        NH2  33 -13.558  -3.618   6.461
  220   2HN   NH2  33          H2        NH2  33 -12.788  -5.101   5.995
  Start of MODEL   14
    1   1H    ASP   1          HT1       ASP   1   7.202   6.296  -2.431
    2   2H    ASP   1          HT2       ASP   1   6.728   6.931  -0.997
    3   3H    ASP   1          HT3       ASP   1   7.325   7.902  -2.143
    4    HA   ASP   1           HA       ASP   1   5.463   7.647  -3.527
    5   1HB   ASP   1          HB2       ASP   1   4.540   5.647  -1.336
    6   2HB   ASP   1          HB1       ASP   1   3.452   6.260  -2.632
    7    H    ASP   2           HN       ASP   2   2.975   8.276  -2.534
    8    HA   ASP   2           HA       ASP   2   3.500  10.302  -0.467
    9   1HB   ASP   2          HB2       ASP   2   1.158   9.874  -2.467
   10   2HB   ASP   2          HB1       ASP   2   1.125  11.077  -1.124
   11    H    CYS   3           HN       CYS   3   0.887   8.079  -1.596
   12    HA   CYS   3           HA       CYS   3   1.214   6.411   0.624
   13   1HB   CYS   3          HB2       CYS   3  -1.251   6.096   0.953
   14   2HB   CYS   3          HB1       CYS   3  -0.788   7.737   1.484
   15    H    ILE   4           HN       ILE   4  -0.028   4.400  -0.362
   16    HA   ILE   4           HA       ILE   4   0.263   4.557  -3.275
   17    HB   ILE   4           HB       ILE   4   0.081   2.098  -1.500
   18   1HG1  ILE   4          HG12      ILE   4   2.503   3.586  -2.688
   19   2HG1  ILE   4          HG11      ILE   4   2.082   3.501  -0.949
   20   1HG2  ILE   4          HG21      ILE   4   0.945   0.966  -3.584
   21   2HG2  ILE   4          HG22      ILE   4   0.906   2.527  -4.469
   22   3HG2  ILE   4          HG23      ILE   4  -0.624   1.749  -3.911
   23   1HD1  ILE   4          HD11      ILE   4   2.976   1.136  -2.696
   24   2HD1  ILE   4          HD12      ILE   4   2.411   1.018  -0.978
   25   3HD1  ILE   4          HD13      ILE   4   3.898   1.951  -1.391
   26    H    LYS   5           HN       LYS   5  -1.439   3.817  -4.579
   27    HA   LYS   5           HA       LYS   5  -3.797   5.142  -3.775
   28   1HB   LYS   5          HB2       LYS   5  -2.664   5.341  -6.030
   29   2HB   LYS   5          HB1       LYS   5  -2.967   3.591  -6.311
   30   1HG   LYS   5          HG2       LYS   5  -5.443   4.057  -6.392
   31   2HG   LYS   5          HG1       LYS   5  -5.110   5.797  -6.068
   32   1HD   LYS   5          HD2       LYS   5  -5.547   5.416  -8.443
   33   2HD   LYS   5          HD1       LYS   5  -3.856   5.985  -8.199
   34   1HE   LYS   5          HE2       LYS   5  -2.994   3.654  -8.534
   35   2HE   LYS   5          HE1       LYS   5  -4.689   3.028  -8.653
   36   1HZ   LYS   5          HZ1       LYS   5  -3.678   3.368 -10.775
   37   2HZ   LYS   5          HZ2       LYS   5  -3.422   4.949 -10.485
   38   3HZ   LYS   5          HZ3       LYS   5  -4.941   4.383 -10.607
   39    HA   HYP   6           HA       HYP   6  -5.876   1.350  -2.743
   40   1HB   HYP   6          HB1       HYP   6  -8.139   1.818  -2.182
   41   2HB   HYP   6          HB2       HYP   6  -8.485   2.459  -3.831
   42   1HD   HYP   6          HD1       HYP   6  -6.893   4.562  -4.533
   43   2HD   HYP   6          HD2       HYP   6  -5.876   5.252  -3.198
   44    HOD  HYP   6           HOD      HYP   6  -5.898   3.516  -1.603
   45    HG   HYP   6           HG       HYP   6  -8.383   4.528  -2.468
   46    H    TYR   7           HN       TYR   7  -6.087  -0.622  -3.908
   47    HA   TYR   7           HA       TYR   7  -5.995  -1.964  -5.508
   48   1HB   TYR   7          HB2       TYR   7  -7.421  -0.058  -7.429
   49   2HB   TYR   7          HB1       TYR   7  -7.257  -1.848  -7.586
   50    HD1  TYR   7           HD1      TYR   7  -8.083  -3.187  -5.346
   51    HD2  TYR   7           HD2      TYR   7  -9.414   0.722  -6.549
   52    HE1  TYR   7           HE1      TYR   7 -10.107  -3.452  -3.966
   53    HE2  TYR   7           HE2      TYR   7 -11.440   0.459  -5.195
   54    HH   TYR   7           HH       TYR   7 -12.615  -0.892  -3.804
   55    H    GLY   8           HN       GLY   8  -3.972   0.443  -5.229
   56   1HA   GLY   8          HA2       GLY   8  -2.623   0.032  -7.792
   57   2HA   GLY   8          HA1       GLY   8  -2.156   1.085  -6.386
   58    H    PHE   9           HN       PHE   9  -0.209  -0.743  -7.483
   59    HA   PHE   9           HA       PHE   9  -0.316  -3.113  -5.816
   60   1HB   PHE   9          HB2       PHE   9   0.452  -3.066  -8.323
   61   2HB   PHE   9          HB1       PHE   9   1.925  -2.210  -7.749
   62    HD1  PHE   9           HD1      PHE   9  -0.177  -5.273  -6.958
   63    HD2  PHE   9           HD2      PHE   9   3.774  -3.608  -7.326
   64    HE1  PHE   9           HE1      PHE   9   0.800  -7.509  -6.596
   65    HE2  PHE   9           HE2      PHE   9   4.746  -5.852  -6.968
   66    HZ   PHE   9           HZ       PHE   9   3.261  -7.809  -6.607
   67    H    CYS  10           HN       CYS  10   1.163  -3.395  -3.984
   68    HA   CYS  10           HA       CYS  10   2.642  -0.948  -3.294
   69   1HB   CYS  10          HB2       CYS  10   1.770  -1.157  -0.927
   70   2HB   CYS  10          HB1       CYS  10   0.509  -0.712  -2.109
   71    H    SER  11           HN       SER  11   4.440  -1.345  -1.806
   72    HA   SER  11           HA       SER  11   4.638  -3.233  -0.073
   73   1HB   SER  11          HB2       SER  11   6.728  -4.575  -1.157
   74   2HB   SER  11          HB1       SER  11   5.053  -5.194  -1.340
   75    HG   SER  11           HG       SER  11   4.893  -4.302  -3.278
   76    H    LEU  12           HN       LEU  12   7.461  -3.147   0.199
   77    HA   LEU  12           HA       LEU  12   8.541  -1.018  -1.208
   78   1HB   LEU  12          HB2       LEU  12   7.709   0.156   0.954
   79   2HB   LEU  12          HB1       LEU  12   8.548  -1.098   1.902
   80    HG   LEU  12           HG       LEU  12  10.753  -0.308   0.931
   81   1HD1  LEU  12          HD11      LEU  12   9.035   1.949  -0.290
   82   2HD1  LEU  12          HD12      LEU  12   9.991   0.728  -1.199
   83   3HD1  LEU  12          HD13      LEU  12  10.837   1.953  -0.188
   84   1HD2  LEU  12          HD21      LEU  12  10.885   1.775   2.298
   85   2HD2  LEU  12          HD22      LEU  12   9.979   0.476   3.152
   86   3HD2  LEU  12          HD23      LEU  12   9.086   1.840   2.391
   87    HA   PRO  13           HA       PRO  13  10.462  -4.891  -0.978
   88   1HB   PRO  13          HB2       PRO  13  13.268  -3.617  -0.906
   89   2HB   PRO  13          HB1       PRO  13  12.701  -5.000  -1.926
   90   1HG   PRO  13          HG1       PRO  13  12.816  -2.488  -3.001
   91   2HG   PRO  13          HG2       PRO  13  11.360  -3.526  -3.306
   92   1HD   PRO  13          HD1       PRO  13  11.642  -1.206  -1.322
   93   2HD   PRO  13          HD2       PRO  13  10.233  -1.690  -2.375
   94    H    ILE  14           HN       ILE  14  11.906  -2.740   1.469
   95    HA   ILE  14           HA       ILE  14  12.967  -4.973   2.918
   96    HB   ILE  14           HB       ILE  14  14.263  -2.980   2.760
   97   1HG1  ILE  14          HG12      ILE  14  13.322  -3.381   5.664
   98   2HG1  ILE  14          HG11      ILE  14  14.448  -4.456   4.772
   99   1HG2  ILE  14          HG21      ILE  14  12.364  -1.297   2.575
  100   2HG2  ILE  14          HG22      ILE  14  13.632  -0.828   3.741
  101   3HG2  ILE  14          HG23      ILE  14  12.082  -1.495   4.349
  102   1HD1  ILE  14          HD11      ILE  14  16.039  -2.512   4.452
  103   2HD1  ILE  14          HD12      ILE  14  15.735  -2.893   6.185
  104   3HD1  ILE  14          HD13      ILE  14  14.936  -1.470   5.429
  105    H    LEU  15           HN       LEU  15  10.014  -2.974   3.046
  106    HA   LEU  15           HA       LEU  15   9.387  -4.164   5.666
  107   1HB   LEU  15          HB2       LEU  15   7.889  -1.947   4.160
  108   2HB   LEU  15          HB1       LEU  15   7.550  -2.535   5.821
  109    HG   LEU  15           HG       LEU  15  10.069  -1.060   4.861
  110   1HD1  LEU  15          HD11      LEU  15   8.033   0.376   5.018
  111   2HD1  LEU  15          HD12      LEU  15   9.277   0.817   6.250
  112   3HD1  LEU  15          HD13      LEU  15   7.816  -0.117   6.741
  113   1HD2  LEU  15          HD21      LEU  15  10.776  -2.593   6.652
  114   2HD2  LEU  15          HD22      LEU  15   9.379  -2.109   7.686
  115   3HD2  LEU  15          HD23      LEU  15  10.691  -0.930   7.318
  116    H    LYS  16           HN       LYS  16   8.673  -4.468   2.286
  117    HA   LYS  16           HA       LYS  16   7.380  -5.702   1.130
  118   1HB   LYS  16          HB2       LYS  16   6.446  -7.108   3.679
  119   2HB   LYS  16          HB1       LYS  16   6.136  -7.672   2.006
  120   1HG   LYS  16          HG2       LYS  16   8.954  -7.339   3.230
  121   2HG   LYS  16          HG1       LYS  16   8.001  -8.856   3.238
  122   1HD   LYS  16          HD2       LYS  16   7.987  -8.925   0.758
  123   2HD   LYS  16          HD1       LYS  16   8.849  -7.351   0.677
  124   1HE   LYS  16          HE2       LYS  16  10.378  -9.307   0.274
  125   2HE   LYS  16          HE1       LYS  16  10.880  -8.305   1.696
  126   1HZ   LYS  16          HZ1       LYS  16  10.970 -10.655   2.114
  127   2HZ   LYS  16          HZ2       LYS  16   9.371 -10.825   1.860
  128   3HZ   LYS  16          HZ3       LYS  16   9.911  -9.925   3.106
  129    H    ASN  17           HN       ASN  17   6.333  -3.157   2.761
  130    HA   ASN  17           HA       ASN  17   3.582  -3.373   1.992
  131   1HB   ASN  17          HB2       ASN  17   4.578  -2.712   4.884
  132   2HB   ASN  17          HB1       ASN  17   2.928  -2.345   4.253
  133   1HD2  ASN  17          HD21      ASN  17   5.210  -5.081   5.073
  134   2HD2  ASN  17          HD22      ASN  17   3.924  -6.239   5.280
  135    H    GLY  18           HN       GLY  18   2.941  -0.948   1.830
  136   1HA   GLY  18          HA2       GLY  18   4.884   0.900   2.619
  137   2HA   GLY  18          HA1       GLY  18   4.508   0.785   0.810
  138    H    LEU  19           HN       LEU  19   3.418   2.948   2.617
  139    HA   LEU  19           HA       LEU  19   1.062   2.010   3.823
  140   1HB   LEU  19          HB2       LEU  19   2.025   4.864   3.209
  141   2HB   LEU  19          HB1       LEU  19   0.581   4.502   4.209
  142    HG   LEU  19           HG       LEU  19   3.405   3.499   4.910
  143   1HD1  LEU  19          HD11      LEU  19   3.513   5.367   6.560
  144   2HD1  LEU  19          HD12      LEU  19   1.975   6.042   5.903
  145   3HD1  LEU  19          HD13      LEU  19   3.449   5.968   4.865
  146   1HD2  LEU  19          HD21      LEU  19   1.515   2.212   5.967
  147   2HD2  LEU  19          HD22      LEU  19   0.838   3.748   6.612
  148   3HD2  LEU  19          HD23      LEU  19   2.445   3.155   7.183
  149    H    CYS  20           HN       CYS  20  -0.878   1.625   2.895
  150    HA   CYS  20           HA       CYS  20  -1.457   2.775   0.295
  151   1HB   CYS  20          HB2       CYS  20  -2.857   0.721   2.100
  152   2HB   CYS  20          HB1       CYS  20  -3.566   1.319   0.568
  153    H    CYS  21           HN       CYS  21  -3.249   4.190  -0.019
  154    HA   CYS  21           HA       CYS  21  -3.927   5.751   2.290
  155   1HB   CYS  21          HB2       CYS  21  -4.544   5.949  -0.650
  156   2HB   CYS  21          HB1       CYS  21  -5.804   6.601   0.430
  157    H    SER  22           HN       SER  22  -5.282   2.786   1.012
  158    HA   SER  22           HA       SER  22  -7.838   3.268   2.214
  159   1HB   SER  22          HB2       SER  22  -8.086   0.764   1.589
  160   2HB   SER  22          HB1       SER  22  -7.817   1.894   0.214
  161    HG   SER  22           HG       SER  22  -6.365  -0.189   1.021
  162    H    GLY  23           HN       GLY  23  -4.625   2.089   3.088
  163   1HA   GLY  23          HA2       GLY  23  -4.234   1.877   5.412
  164   2HA   GLY  23          HA1       GLY  23  -5.744   0.891   5.548
  165    H    ALA  24           HN       ALA  24  -5.813  -1.059   3.955
  166    HA   ALA  24           HA       ALA  24  -3.526  -2.548   4.807
  167   1HB   ALA  24          HB1       ALA  24  -5.931  -3.504   3.150
  168   2HB   ALA  24          HB2       ALA  24  -5.797  -3.586   4.947
  169   3HB   ALA  24          HB3       ALA  24  -4.687  -4.555   3.918
  170    H    CYS  25           HN       CYS  25  -2.039  -3.726   3.512
  171    HA   CYS  25           HA       CYS  25  -1.982  -3.101   0.673
  172   1HB   CYS  25          HB2       CYS  25   0.010  -1.906   1.734
  173   2HB   CYS  25          HB1       CYS  25   0.369  -3.367   2.700
  174    H    VAL  26           HN       VAL  26  -2.192  -5.163  -0.283
  175    HA   VAL  26           HA       VAL  26  -1.416  -7.486   1.284
  176    HB   VAL  26           HB       VAL  26  -3.717  -7.038   1.985
  177   1HG1  VAL  26          HG11      VAL  26  -5.614  -7.005   0.401
  178   2HG1  VAL  26          HG12      VAL  26  -4.497  -7.120  -1.003
  179   3HG1  VAL  26          HG13      VAL  26  -4.484  -5.651   0.042
  180   1HG2  VAL  26          HG21      VAL  26  -3.599  -9.440   0.058
  181   2HG2  VAL  26          HG22      VAL  26  -4.742  -9.207   1.427
  182   3HG2  VAL  26          HG23      VAL  26  -2.982  -9.397   1.753
  183    H    GLY  27           HN       GLY  27  -0.023  -6.159  -0.636
  184   1HA   GLY  27          HA2       GLY  27   1.106  -6.841  -2.484
  185   2HA   GLY  27          HA1       GLY  27  -0.287  -7.882  -2.995
  186    H    VAL  28           HN       VAL  28  -2.425  -6.401  -3.066
  187    HA   VAL  28           HA       VAL  28  -1.774  -3.911  -4.494
  188    HB   VAL  28           HB       VAL  28  -4.181  -3.788  -5.079
  189   1HG1  VAL  28          HG11      VAL  28  -2.498  -4.662  -6.674
  190   2HG1  VAL  28          HG12      VAL  28  -4.052  -5.553  -6.866
  191   3HG1  VAL  28          HG13      VAL  28  -2.670  -6.328  -6.001
  192   1HG2  VAL  28          HG21      VAL  28  -5.098  -5.211  -3.202
  193   2HG2  VAL  28          HG22      VAL  28  -4.325  -6.670  -3.922
  194   3HG2  VAL  28          HG23      VAL  28  -5.622  -5.805  -4.815
  195    H    CYS  29           HN       CYS  29  -3.044  -2.035  -3.688
  196    HA   CYS  29           HA       CYS  29  -3.362  -2.095  -0.797
  197   1HB   CYS  29          HB2       CYS  29  -4.114  -0.017  -2.922
  198   2HB   CYS  29          HB1       CYS  29  -4.391   0.237  -1.170
  199    H    ALA  30           HN       ALA  30  -5.315  -2.305   0.333
  200    HA   ALA  30           HA       ALA  30  -7.770  -2.321  -1.183
  201   1HB   ALA  30          HB1       ALA  30  -8.375  -4.689  -0.633
  202   2HB   ALA  30          HB2       ALA  30  -6.798  -4.912   0.222
  203   3HB   ALA  30          HB3       ALA  30  -6.846  -4.704  -1.563
  204    H    ASP  31           HN       ASP  31  -9.197  -3.743   0.863
  205    HA   ASP  31           HA       ASP  31  -8.440  -3.104   3.413
  206   1HB   ASP  31          HB2       ASP  31 -10.555  -1.725   3.954
  207   2HB   ASP  31          HB1       ASP  31  -9.278  -0.804   3.095
  208    H    LEU  32           HN       LEU  32 -10.771  -4.152   4.568
  209    HA   LEU  32           HA       LEU  32 -12.229  -5.600   2.632
  210   1HB   LEU  32          HB2       LEU  32 -10.879  -6.984   5.084
  211   2HB   LEU  32          HB1       LEU  32 -12.257  -7.629   4.139
  212    HG   LEU  32           HG       LEU  32 -10.601  -7.442   2.074
  213   1HD1  LEU  32          HD11      LEU  32  -8.236  -7.963   2.590
  214   2HD1  LEU  32          HD12      LEU  32  -8.551  -7.808   4.361
  215   3HD1  LEU  32          HD13      LEU  32  -8.673  -6.370   3.286
  216   1HD2  LEU  32          HD21      LEU  32 -10.376  -9.697   4.169
  217   2HD2  LEU  32          HD22      LEU  32  -9.934  -9.815   2.425
  218   3HD2  LEU  32          HD23      LEU  32 -11.648  -9.539   2.899
  219   1HN   NH2  33          H1        NH2  33 -14.545  -4.624   5.228
  220   2HN   NH2  33          H2        NH2  33 -14.372  -5.633   3.828
  Start of MODEL   15
    1   1H    ASP   1          HT1       ASP   1   3.993  14.076   3.791
    2   2H    ASP   1          HT2       ASP   1   2.817  14.254   2.668
    3   3H    ASP   1          HT3       ASP   1   4.333  13.953   2.190
    4    HA   ASP   1           HA       ASP   1   4.290  11.784   3.196
    5   1HB   ASP   1          HB2       ASP   1   1.293  12.506   3.596
    6   2HB   ASP   1          HB1       ASP   1   1.967  10.849   3.793
    7    H    ASP   2           HN       ASP   2   2.462   9.979   1.946
    8    HA   ASP   2           HA       ASP   2   1.401  10.939  -0.375
    9   1HB   ASP   2          HB2       ASP   2   3.966  10.749  -1.075
   10   2HB   ASP   2          HB1       ASP   2   3.826   9.003  -0.687
   11    H    CYS   3           HN       CYS   3   0.876   8.224  -1.309
   12    HA   CYS   3           HA       CYS   3   0.990   6.476   0.869
   13   1HB   CYS   3          HB2       CYS   3  -1.411   5.917   0.970
   14   2HB   CYS   3          HB1       CYS   3  -1.188   7.602   1.511
   15    H    ILE   4           HN       ILE   4  -0.048   4.399  -0.235
   16    HA   ILE   4           HA       ILE   4   0.583   4.548  -3.099
   17    HB   ILE   4           HB       ILE   4   0.160   2.066  -1.390
   18   1HG1  ILE   4          HG12      ILE   4   2.757   3.510  -2.194
   19   2HG1  ILE   4          HG11      ILE   4   2.105   3.330  -0.531
   20   1HG2  ILE   4          HG21      ILE   4   1.272   0.965  -3.396
   21   2HG2  ILE   4          HG22      ILE   4   1.316   2.548  -4.239
   22   3HG2  ILE   4          HG23      ILE   4  -0.254   1.745  -3.856
   23   1HD1  ILE   4          HD11      ILE   4   3.088   1.011  -2.317
   24   2HD1  ILE   4          HD12      ILE   4   2.365   0.846  -0.665
   25   3HD1  ILE   4          HD13      ILE   4   3.926   1.723  -0.907
   26    H    LYS   5           HN       LYS   5  -1.077   3.644  -4.535
   27    HA   LYS   5           HA       LYS   5  -3.398   5.112  -3.927
   28   1HB   LYS   5          HB2       LYS   5  -2.224   5.084  -6.182
   29   2HB   LYS   5          HB1       LYS   5  -2.681   3.356  -6.350
   30   1HG   LYS   5          HG2       LYS   5  -5.153   4.108  -6.298
   31   2HG   LYS   5          HG1       LYS   5  -4.557   5.801  -6.265
   32   1HD   LYS   5          HD2       LYS   5  -5.168   5.255  -8.539
   33   2HD   LYS   5          HD1       LYS   5  -3.380   5.395  -8.462
   34   1HE   LYS   5          HE2       LYS   5  -4.055   3.467  -9.891
   35   2HE   LYS   5          HE1       LYS   5  -3.204   2.857  -8.422
   36   1HZ   LYS   5          HZ1       LYS   5  -5.130   1.592  -8.839
   37   2HZ   LYS   5          HZ2       LYS   5  -6.108   2.891  -8.877
   38   3HZ   LYS   5          HZ3       LYS   5  -5.400   2.443  -7.483
   39    HA   HYP   6           HA       HYP   6  -5.754   1.497  -2.757
   40   1HB   HYP   6          HB1       HYP   6  -8.047   2.139  -2.339
   41   2HB   HYP   6          HB2       HYP   6  -8.139   3.055  -3.890
   42   1HD   HYP   6          HD1       HYP   6  -6.258   5.032  -4.188
   43   2HD   HYP   6          HD2       HYP   6  -5.162   5.200  -2.749
   44    HOD  HYP   6           HOD      HYP   6  -6.664   2.905  -0.888
   45    HG   HYP   6           HG       HYP   6  -7.818   4.877  -2.275
   46    H    TYR   7           HN       TYR   7  -5.931  -0.418  -3.934
   47    HA   TYR   7           HA       TYR   7  -5.987  -1.777  -5.511
   48   1HB   TYR   7          HB2       TYR   7  -7.977   0.057  -6.950
   49   2HB   TYR   7          HB1       TYR   7  -7.641  -1.671  -7.375
   50    HD1  TYR   7           HD1      TYR   7  -7.876  -3.429  -5.510
   51    HD2  TYR   7           HD2      TYR   7  -9.453   0.548  -5.114
   52    HE1  TYR   7           HE1      TYR   7  -9.223  -4.158  -3.577
   53    HE2  TYR   7           HE2      TYR   7 -10.798  -0.166  -3.181
   54    HH   TYR   7           HH       TYR   7 -11.318  -1.907  -1.749
   55    H    GLY   8           HN       GLY   8  -3.968   0.288  -5.407
   56   1HA   GLY   8          HA2       GLY   8  -2.836  -0.236  -8.065
   57   2HA   GLY   8          HA1       GLY   8  -2.256   0.950  -6.802
   58    H    PHE   9           HN       PHE   9  -0.396  -0.992  -7.628
   59    HA   PHE   9           HA       PHE   9  -0.657  -3.308  -5.952
   60   1HB   PHE   9          HB2       PHE   9   1.760  -2.395  -7.635
   61   2HB   PHE   9          HB1       PHE   9   1.557  -4.000  -6.830
   62    HD1  PHE   9           HD1      PHE   9  -0.361  -5.496  -7.522
   63    HD2  PHE   9           HD2      PHE   9   0.742  -1.997  -9.769
   64    HE1  PHE   9           HE1      PHE   9  -1.592  -6.362  -9.485
   65    HE2  PHE   9           HE2      PHE   9  -0.496  -2.864 -11.725
   66    HZ   PHE   9           HZ       PHE   9  -1.655  -5.052 -11.593
   67    H    CYS  10           HN       CYS  10   1.103  -3.876  -4.278
   68    HA   CYS  10           HA       CYS  10   2.894  -1.894  -3.603
   69   1HB   CYS  10          HB2       CYS  10   2.335  -1.510  -1.230
   70   2HB   CYS  10          HB1       CYS  10   1.070  -0.814  -2.278
   71    H    SER  11           HN       SER  11   3.570  -3.341  -1.034
   72    HA   SER  11           HA       SER  11   3.578  -6.044  -1.686
   73   1HB   SER  11          HB2       SER  11   6.296  -5.870  -1.874
   74   2HB   SER  11          HB1       SER  11   5.263  -5.789  -3.344
   75    HG   SER  11           HG       SER  11   6.360  -3.574  -1.911
   76    H    LEU  12           HN       LEU  12   5.493  -6.768   0.067
   77    HA   LEU  12           HA       LEU  12   4.541  -5.427   2.455
   78   1HB   LEU  12          HB2       LEU  12   6.077  -8.073   2.007
   79   2HB   LEU  12          HB1       LEU  12   5.441  -7.530   3.585
   80    HG   LEU  12           HG       LEU  12   3.794  -8.274   1.094
   81   1HD1  LEU  12          HD11      LEU  12   4.824 -10.231   2.231
   82   2HD1  LEU  12          HD12      LEU  12   3.035 -10.215   2.436
   83   3HD1  LEU  12          HD13      LEU  12   4.104  -9.717   3.802
   84   1HD2  LEU  12          HD21      LEU  12   2.792  -7.365   3.874
   85   2HD2  LEU  12          HD22      LEU  12   1.771  -8.065   2.569
   86   3HD2  LEU  12          HD23      LEU  12   2.579  -6.486   2.311
   87    HA   PRO  13           HA       PRO  13   8.498  -3.628   3.103
   88   1HB   PRO  13          HB2       PRO  13   8.978  -3.836   5.887
   89   2HB   PRO  13          HB1       PRO  13   7.756  -2.761   5.141
   90   1HG   PRO  13          HG1       PRO  13   7.325  -5.590   6.247
   91   2HG   PRO  13          HG2       PRO  13   6.379  -4.089   6.628
   92   1HD   PRO  13          HD1       PRO  13   5.473  -5.853   4.766
   93   2HD   PRO  13          HD2       PRO  13   5.384  -4.072   4.405
   94    H    ILE  14           HN       ILE  14   8.739  -6.319   2.197
   95    HA   ILE  14           HA       ILE  14  11.432  -6.910   3.220
   96    HB   ILE  14           HB       ILE  14   9.981  -8.873   3.376
   97   1HG1  ILE  14          HG12      ILE  14  11.196 -10.501   1.987
   98   2HG1  ILE  14          HG11      ILE  14  11.891  -9.186   0.982
   99   1HG2  ILE  14          HG21      ILE  14   8.221  -8.242   1.755
  100   2HG2  ILE  14          HG22      ILE  14   8.883  -9.861   1.367
  101   3HG2  ILE  14          HG23      ILE  14   9.368  -8.443   0.377
  102   1HD1  ILE  14          HD11      ILE  14  13.483 -10.078   2.748
  103   2HD1  ILE  14          HD12      ILE  14  12.359  -9.493   4.029
  104   3HD1  ILE  14          HD13      ILE  14  13.173  -8.317   2.927
  105    H    LEU  15           HN       LEU  15   9.368  -5.382   0.902
  106    HA   LEU  15           HA       LEU  15  11.661  -4.872  -0.805
  107   1HB   LEU  15          HB2       LEU  15   8.762  -5.424  -1.739
  108   2HB   LEU  15          HB1       LEU  15  10.069  -4.775  -2.802
  109    HG   LEU  15           HG       LEU  15  10.183  -7.526  -1.445
  110   1HD1  LEU  15          HD11      LEU  15   9.589  -8.488  -3.667
  111   2HD1  LEU  15          HD12      LEU  15   9.297  -6.830  -4.318
  112   3HD1  LEU  15          HD13      LEU  15   8.258  -7.480  -2.997
  113   1HD2  LEU  15          HD21      LEU  15  11.871  -6.294  -3.716
  114   2HD2  LEU  15          HD22      LEU  15  11.968  -7.995  -3.133
  115   3HD2  LEU  15          HD23      LEU  15  12.423  -6.650  -2.034
  116    H    LYS  16           HN       LYS  16   9.247  -3.226  -2.100
  117    HA   LYS  16           HA       LYS  16   9.617  -1.044  -0.198
  118   1HB   LYS  16          HB2       LYS  16   8.510   0.394  -1.870
  119   2HB   LYS  16          HB1       LYS  16   9.923  -0.442  -2.593
  120   1HG   LYS  16          HG2       LYS  16   8.343  -2.151  -3.621
  121   2HG   LYS  16          HG1       LYS  16   6.961  -1.228  -2.944
  122   1HD   LYS  16          HD2       LYS  16   7.772   0.812  -4.252
  123   2HD   LYS  16          HD1       LYS  16   8.962  -0.259  -5.072
  124   1HE   LYS  16          HE2       LYS  16   5.871  -0.517  -5.107
  125   2HE   LYS  16          HE1       LYS  16   6.928   0.000  -6.481
  126   1HZ   LYS  16          HZ1       LYS  16   6.936  -2.651  -5.202
  127   2HZ   LYS  16          HZ2       LYS  16   7.880  -2.195  -6.447
  128   3HZ   LYS  16          HZ3       LYS  16   6.267  -2.278  -6.638
  129    H    ASN  17           HN       ASN  17   7.668  -0.066   0.723
  130    HA   ASN  17           HA       ASN  17   5.180  -1.142   0.019
  131   1HB   ASN  17          HB2       ASN  17   4.319  -1.802   2.157
  132   2HB   ASN  17          HB1       ASN  17   5.806  -2.757   1.922
  133   1HD2  ASN  17          HD21      ASN  17   4.136  -1.393   4.327
  134   2HD2  ASN  17          HD22      ASN  17   5.441  -0.958   5.395
  135    H    GLY  18           HN       GLY  18   3.739   0.390   1.954
  136   1HA   GLY  18          HA2       GLY  18   4.935   2.641   2.808
  137   2HA   GLY  18          HA1       GLY  18   4.154   2.941   1.164
  138    H    LEU  19           HN       LEU  19   2.507   4.045   2.905
  139    HA   LEU  19           HA       LEU  19   0.749   2.002   4.031
  140   1HB   LEU  19          HB2       LEU  19   1.444   3.957   5.491
  141   2HB   LEU  19          HB1       LEU  19   0.788   5.083   4.256
  142    HG   LEU  19           HG       LEU  19  -1.504   4.228   4.666
  143   1HD1  LEU  19          HD11      LEU  19  -2.023   2.758   6.620
  144   2HD1  LEU  19          HD12      LEU  19  -0.264   2.476   6.887
  145   3HD1  LEU  19          HD13      LEU  19  -1.063   1.879   5.385
  146   1HD2  LEU  19          HD21      LEU  19  -1.842   5.253   6.881
  147   2HD2  LEU  19          HD22      LEU  19  -0.652   6.193   5.913
  148   3HD2  LEU  19          HD23      LEU  19  -0.082   5.117   7.248
  149    H    CYS  20           HN       CYS  20  -1.385   1.832   3.099
  150    HA   CYS  20           HA       CYS  20  -1.643   3.095   0.469
  151   1HB   CYS  20          HB2       CYS  20  -3.373   1.000   1.908
  152   2HB   CYS  20          HB1       CYS  20  -3.691   1.656   0.274
  153    H    CYS  21           HN       CYS  21  -3.567   4.533   0.136
  154    HA   CYS  21           HA       CYS  21  -4.131   6.028   2.474
  155   1HB   CYS  21          HB2       CYS  21  -5.239   6.088  -0.366
  156   2HB   CYS  21          HB1       CYS  21  -6.097   6.968   0.927
  157    H    SER  22           HN       SER  22  -5.789   3.309   0.941
  158    HA   SER  22           HA       SER  22  -7.996   3.430   2.789
  159   1HB   SER  22          HB2       SER  22  -8.609   1.262   1.503
  160   2HB   SER  22          HB1       SER  22  -8.580   2.792   0.560
  161    HG   SER  22           HG       SER  22  -6.887   0.587   0.525
  162    H    GLY  23           HN       GLY  23  -4.840   2.769   3.366
  163   1HA   GLY  23          HA2       GLY  23  -4.120   2.010   5.277
  164   2HA   GLY  23          HA1       GLY  23  -5.645   1.087   5.554
  165    H    ALA  24           HN       ALA  24  -5.899  -0.731   3.725
  166    HA   ALA  24           HA       ALA  24  -3.839  -2.449   4.742
  167   1HB   ALA  24          HB1       ALA  24  -5.161  -4.340   3.806
  168   2HB   ALA  24          HB2       ALA  24  -6.227  -3.172   2.940
  169   3HB   ALA  24          HB3       ALA  24  -6.226  -3.229   4.741
  170    H    CYS  25           HN       CYS  25  -2.396  -3.843   3.528
  171    HA   CYS  25           HA       CYS  25  -2.001  -3.202   0.772
  172   1HB   CYS  25          HB2       CYS  25  -0.419  -1.601   2.010
  173   2HB   CYS  25          HB1       CYS  25   0.140  -2.973   3.006
  174    H    VAL  26           HN       VAL  26  -1.009  -5.102  -0.061
  175    HA   VAL  26           HA       VAL  26  -0.139  -7.262   1.314
  176    HB   VAL  26           HB       VAL  26  -2.502  -7.748   1.831
  177   1HG1  VAL  26          HG11      VAL  26  -3.122  -7.564  -1.191
  178   2HG1  VAL  26          HG12      VAL  26  -3.598  -6.374   0.073
  179   3HG1  VAL  26          HG13      VAL  26  -4.239  -8.050   0.128
  180   1HG2  VAL  26          HG21      VAL  26  -1.500  -9.649  -0.389
  181   2HG2  VAL  26          HG22      VAL  26  -2.644 -10.008   0.943
  182   3HG2  VAL  26          HG23      VAL  26  -0.930  -9.617   1.321
  183    H    GLY  27           HN       GLY  27  -1.085  -8.436  -1.675
  184   1HA   GLY  27          HA2       GLY  27   1.103  -7.096  -2.919
  185   2HA   GLY  27          HA1       GLY  27  -0.075  -8.241  -3.665
  186    H    VAL  28           HN       VAL  28  -1.879  -5.769  -2.264
  187    HA   VAL  28           HA       VAL  28  -1.703  -3.911  -4.362
  188    HB   VAL  28           HB       VAL  28  -4.226  -3.945  -4.773
  189   1HG1  VAL  28          HG11      VAL  28  -2.633  -6.351  -5.875
  190   2HG1  VAL  28          HG12      VAL  28  -2.598  -4.665  -6.508
  191   3HG1  VAL  28          HG13      VAL  28  -4.118  -5.628  -6.599
  192   1HG2  VAL  28          HG21      VAL  28  -5.445  -6.101  -4.420
  193   2HG2  VAL  28          HG22      VAL  28  -4.865  -5.443  -2.855
  194   3HG2  VAL  28          HG23      VAL  28  -3.999  -6.824  -3.634
  195    H    CYS  29           HN       CYS  29  -3.069  -2.096  -3.653
  196    HA   CYS  29           HA       CYS  29  -3.323  -2.022  -0.739
  197   1HB   CYS  29          HB2       CYS  29  -3.902  -0.027  -3.003
  198   2HB   CYS  29          HB1       CYS  29  -4.308   0.323  -1.294
  199    H    ALA  30           HN       ALA  30  -5.328  -2.170   0.286
  200    HA   ALA  30           HA       ALA  30  -7.713  -2.156  -1.379
  201   1HB   ALA  30          HB1       ALA  30  -7.070  -4.539   0.498
  202   2HB   ALA  30          HB2       ALA  30  -7.035  -4.633  -1.298
  203   3HB   ALA  30          HB3       ALA  30  -8.584  -4.303  -0.467
  204    H    ASP  31           HN       ASP  31  -9.154  -3.244   1.080
  205    HA   ASP  31           HA       ASP  31  -8.430  -1.470   3.162
  206   1HB   ASP  31          HB2       ASP  31 -11.016  -0.980   3.452
  207   2HB   ASP  31          HB1       ASP  31 -10.107   0.058   2.315
  208    H    LEU  32           HN       LEU  32  -9.752  -2.595   5.089
  209    HA   LEU  32           HA       LEU  32 -10.748  -5.143   4.553
  210   1HB   LEU  32          HB2       LEU  32  -8.152  -4.715   6.221
  211   2HB   LEU  32          HB1       LEU  32  -9.198  -6.163   6.375
  212    HG   LEU  32           HG       LEU  32  -7.668  -5.357   3.830
  213   1HD1  LEU  32          HD11      LEU  32  -6.079  -7.186   4.387
  214   2HD1  LEU  32          HD12      LEU  32  -6.943  -7.489   5.943
  215   3HD1  LEU  32          HD13      LEU  32  -6.095  -5.920   5.667
  216   1HD2  LEU  32          HD21      LEU  32  -9.140  -7.988   4.504
  217   2HD2  LEU  32          HD22      LEU  32  -8.135  -7.673   3.040
  218   3HD2  LEU  32          HD23      LEU  32  -9.653  -6.749   3.293
  219   1HN   NH2  33          H1        NH2  33 -11.541  -5.590   7.025
  220   2HN   NH2  33          H2        NH2  33 -11.853  -4.159   7.953
  Start of MODEL   16
    1   1H    ASP   1          HT1       ASP   1   0.568  15.641   1.849
    2   2H    ASP   1          HT2       ASP   1  -0.236  14.901   0.634
    3   3H    ASP   1          HT3       ASP   1   1.338  15.231   0.457
    4    HA   ASP   1           HA       ASP   1   1.913  13.717   2.217
    5   1HB   ASP   1          HB2       ASP   1  -1.092  12.944   1.974
    6   2HB   ASP   1          HB1       ASP   1   0.142  11.985   2.862
    7    H    ASP   2           HN       ASP   2   1.264  10.943   1.482
    8    HA   ASP   2           HA       ASP   2   1.009  10.774  -1.292
    9   1HB   ASP   2          HB2       ASP   2   3.675   9.990   0.134
   10   2HB   ASP   2          HB1       ASP   2   3.194   9.427  -1.507
   11    H    CYS   3           HN       CYS   3   1.003   8.147  -1.448
   12    HA   CYS   3           HA       CYS   3   1.151   6.649   0.797
   13   1HB   CYS   3          HB2       CYS   3  -1.288   5.928   0.914
   14   2HB   CYS   3          HB1       CYS   3  -1.074   7.588   1.531
   15    H    ILE   4           HN       ILE   4  -0.103   4.515  -0.294
   16    HA   ILE   4           HA       ILE   4   0.473   4.633  -3.164
   17    HB   ILE   4           HB       ILE   4   0.085   2.206  -1.360
   18   1HG1  ILE   4          HG12      ILE   4   2.612   3.670  -2.356
   19   2HG1  ILE   4          HG11      ILE   4   2.089   3.425  -0.656
   20   1HG2  ILE   4          HG21      ILE   4   1.122   2.490  -4.279
   21   2HG2  ILE   4          HG22      ILE   4  -0.477   1.798  -3.799
   22   3HG2  ILE   4          HG23      ILE   4   1.017   0.967  -3.330
   23   1HD1  ILE   4          HD11      ILE   4   3.901   1.890  -1.140
   24   2HD1  ILE   4          HD12      ILE   4   3.081   1.247  -2.592
   25   3HD1  ILE   4          HD13      ILE   4   2.382   0.927  -0.950
   26    H    LYS   5           HN       LYS   5  -1.156   3.706  -4.516
   27    HA   LYS   5           HA       LYS   5  -3.541   5.115  -4.052
   28   1HB   LYS   5          HB2       LYS   5  -2.242   4.968  -6.259
   29   2HB   LYS   5          HB1       LYS   5  -2.671   3.228  -6.337
   30   1HG   LYS   5          HG2       LYS   5  -4.101   4.309  -7.854
   31   2HG   LYS   5          HG1       LYS   5  -5.149   3.940  -6.455
   32   1HD   LYS   5          HD2       LYS   5  -4.940   6.355  -5.711
   33   2HD   LYS   5          HD1       LYS   5  -3.812   6.655  -7.083
   34   1HE   LYS   5          HE2       LYS   5  -5.633   6.026  -8.724
   35   2HE   LYS   5          HE1       LYS   5  -6.782   5.820  -7.345
   36   1HZ   LYS   5          HZ1       LYS   5  -6.915   7.953  -8.408
   37   2HZ   LYS   5          HZ2       LYS   5  -5.376   8.320  -8.033
   38   3HZ   LYS   5          HZ3       LYS   5  -6.481   8.127  -6.850
   39    HA   HYP   6           HA       HYP   6  -5.731   1.387  -2.816
   40   1HB   HYP   6          HB1       HYP   6  -8.020   1.973  -2.298
   41   2HB   HYP   6          HB2       HYP   6  -8.185   2.924  -3.821
   42   1HD   HYP   6          HD1       HYP   6  -6.360   4.963  -4.116
   43   2HD   HYP   6          HD2       HYP   6  -5.214   5.093  -2.715
   44    HOD  HYP   6           HOD      HYP   6  -6.621   2.738  -0.857
   45    HG   HYP   6           HG       HYP   6  -7.851   4.705  -2.152
   46    H    TYR   7           HN       TYR   7  -6.065  -0.506  -4.020
   47    HA   TYR   7           HA       TYR   7  -6.129  -1.814  -5.673
   48   1HB   TYR   7          HB2       TYR   7  -7.976   0.203  -7.051
   49   2HB   TYR   7          HB1       TYR   7  -7.516  -1.378  -7.784
   50    HD1  TYR   7           HD1      TYR   7  -8.260  -3.486  -6.862
   51    HD2  TYR   7           HD2      TYR   7  -9.386   0.213  -4.979
   52    HE1  TYR   7           HE1      TYR   7 -10.045  -4.657  -5.634
   53    HE2  TYR   7           HE2      TYR   7 -11.146  -0.955  -3.725
   54    HH   TYR   7           HH       TYR   7 -12.147  -2.963  -3.284
   55    H    GLY   8           HN       GLY   8  -3.956   0.120  -5.356
   56   1HA   GLY   8          HA2       GLY   8  -2.784  -0.397  -8.005
   57   2HA   GLY   8          HA1       GLY   8  -2.281   0.913  -6.838
   58    H    PHE   9           HN       PHE   9  -0.312  -1.042  -7.518
   59    HA   PHE   9           HA       PHE   9  -0.484  -3.087  -5.472
   60   1HB   PHE   9          HB2       PHE   9   1.926  -3.649  -6.476
   61   2HB   PHE   9          HB1       PHE   9   0.424  -4.152  -7.314
   62    HD1  PHE   9           HD1      PHE   9   2.913  -1.278  -7.256
   63    HD2  PHE   9           HD2      PHE   9   0.082  -3.587  -9.538
   64    HE1  PHE   9           HE1      PHE   9   3.567  -0.066  -9.305
   65    HE2  PHE   9           HE2      PHE   9   0.769  -2.393 -11.587
   66    HZ   PHE   9           HZ       PHE   9   2.509  -0.627 -11.476
   67    H    CYS  10           HN       CYS  10   1.093  -3.308  -3.795
   68    HA   CYS  10           HA       CYS  10   2.397  -0.751  -3.128
   69   1HB   CYS  10          HB2       CYS  10   2.198  -1.572  -0.696
   70   2HB   CYS  10          HB1       CYS  10   0.712  -0.978  -1.473
   71    H    SER  11           HN       SER  11   4.504  -1.110  -1.796
   72    HA   SER  11           HA       SER  11   5.786  -3.464  -1.708
   73   1HB   SER  11          HB2       SER  11   7.565  -2.850  -3.581
   74   2HB   SER  11          HB1       SER  11   6.048  -3.604  -4.158
   75    HG   SER  11           HG       SER  11   5.271  -1.649  -4.741
   76    H    LEU  12           HN       LEU  12   8.345  -1.813  -2.004
   77    HA   LEU  12           HA       LEU  12   7.657   0.502  -0.328
   78   1HB   LEU  12          HB2       LEU  12  10.410  -0.769  -0.852
   79   2HB   LEU  12          HB1       LEU  12  10.073   0.674   0.160
   80    HG   LEU  12           HG       LEU  12   9.122  -2.210   0.689
   81   1HD1  LEU  12          HD11      LEU  12  10.734  -2.217   2.589
   82   2HD1  LEU  12          HD12      LEU  12  11.325  -0.579   2.105
   83   3HD1  LEU  12          HD13      LEU  12  11.565  -1.994   1.006
   84   1HD2  LEU  12          HD21      LEU  12   7.485  -0.555   1.606
   85   2HD2  LEU  12          HD22      LEU  12   8.810   0.269   2.502
   86   3HD2  LEU  12          HD23      LEU  12   8.352  -1.424   2.912
   87    HA   PRO  13           HA       PRO  13   7.991   1.176  -4.686
   88   1HB   PRO  13          HB2       PRO  13   6.760   3.688  -5.030
   89   2HB   PRO  13          HB1       PRO  13   5.864   2.165  -4.652
   90   1HG   PRO  13          HG1       PRO  13   6.766   4.333  -2.686
   91   2HG   PRO  13          HG2       PRO  13   5.154   3.523  -2.818
   92   1HD   PRO  13          HD1       PRO  13   7.071   2.690  -0.985
   93   2HD   PRO  13          HD2       PRO  13   6.004   1.490  -1.840
   94    H    ILE  14           HN       ILE  14   9.247   3.528  -2.430
   95    HA   ILE  14           HA       ILE  14  11.638   3.967  -3.439
   96    HB   ILE  14           HB       ILE  14  10.856   4.973  -5.524
   97   1HG1  ILE  14          HG12      ILE  14  12.034   7.079  -3.616
   98   2HG1  ILE  14          HG11      ILE  14  12.934   5.758  -4.435
   99   1HG2  ILE  14          HG21      ILE  14   8.579   5.734  -4.698
  100   2HG2  ILE  14          HG22      ILE  14   9.458   6.948  -5.674
  101   3HG2  ILE  14          HG23      ILE  14   9.391   7.138  -3.892
  102   1HD1  ILE  14          HD11      ILE  14  12.200   6.732  -6.686
  103   2HD1  ILE  14          HD12      ILE  14  13.263   7.811  -5.723
  104   3HD1  ILE  14          HD13      ILE  14  11.493   8.134  -5.796
  105    H    LEU  15           HN       LEU  15   8.630   5.415  -2.251
  106    HA   LEU  15           HA       LEU  15   9.888   6.728  -0.046
  107   1HB   LEU  15          HB2       LEU  15   6.966   5.869  -0.479
  108   2HB   LEU  15          HB1       LEU  15   7.527   6.844   0.913
  109    HG   LEU  15           HG       LEU  15   7.835   7.734  -2.018
  110   1HD1  LEU  15          HD11      LEU  15   5.450   7.449  -1.559
  111   2HD1  LEU  15          HD12      LEU  15   5.839   9.208  -1.564
  112   3HD1  LEU  15          HD13      LEU  15   5.584   8.340  -0.002
  113   1HD2  LEU  15          HD21      LEU  15   8.109  10.022  -1.026
  114   2HD2  LEU  15          HD22      LEU  15   9.414   8.907  -0.493
  115   3HD2  LEU  15          HD23      LEU  15   8.058   9.320   0.627
  116    H    LYS  16           HN       LYS  16   9.636   5.978   2.207
  117    HA   LYS  16           HA       LYS  16  10.523   3.233   2.145
  118   1HB   LYS  16          HB2       LYS  16  10.680   5.317   4.404
  119   2HB   LYS  16          HB1       LYS  16  11.652   3.816   4.247
  120   1HG   LYS  16          HG2       LYS  16  12.807   4.784   2.234
  121   2HG   LYS  16          HG1       LYS  16  11.762   6.235   2.309
  122   1HD   LYS  16          HD2       LYS  16  13.745   6.974   3.252
  123   2HD   LYS  16          HD1       LYS  16  12.679   6.683   4.665
  124   1HE   LYS  16          HE2       LYS  16  13.877   4.487   5.091
  125   2HE   LYS  16          HE1       LYS  16  14.911   4.784   3.635
  126   1HZ   LYS  16          HZ1       LYS  16  15.985   5.442   5.640
  127   2HZ   LYS  16          HZ2       LYS  16  14.792   6.474   6.042
  128   3HZ   LYS  16          HZ3       LYS  16  15.707   6.764   4.732
  129    H    ASN  17           HN       ASN  17   7.791   2.942   1.898
  130    HA   ASN  17           HA       ASN  17   7.118   1.658   4.229
  131   1HB   ASN  17          HB2       ASN  17   5.016   2.889   4.856
  132   2HB   ASN  17          HB1       ASN  17   6.463   3.872   5.215
  133   1HD2  ASN  17          HD21      ASN  17   6.652   5.920   4.223
  134   2HD2  ASN  17          HD22      ASN  17   5.467   6.574   3.134
  135    H    GLY  18           HN       GLY  18   4.476   1.181   3.647
  136   1HA   GLY  18          HA2       GLY  18   4.231   1.136   0.756
  137   2HA   GLY  18          HA1       GLY  18   4.145  -0.402   1.709
  138    H    LEU  19           HN       LEU  19   3.176   2.981   2.575
  139    HA   LEU  19           HA       LEU  19   0.876   1.888   3.855
  140   1HB   LEU  19          HB2       LEU  19   2.243   3.838   4.792
  141   2HB   LEU  19          HB1       LEU  19   1.689   4.828   3.414
  142    HG   LEU  19           HG       LEU  19  -0.691   4.589   4.186
  143   1HD1  LEU  19          HD11      LEU  19   0.501   3.033   6.575
  144   2HD1  LEU  19          HD12      LEU  19  -0.676   2.425   5.347
  145   3HD1  LEU  19          HD13      LEU  19  -1.170   3.703   6.500
  146   1HD2  LEU  19          HD21      LEU  19   0.620   6.552   4.868
  147   2HD2  LEU  19          HD22      LEU  19   1.242   5.683   6.325
  148   3HD2  LEU  19          HD23      LEU  19  -0.516   6.064   6.176
  149    H    CYS  20           HN       CYS  20  -1.088   1.594   2.867
  150    HA   CYS  20           HA       CYS  20  -1.554   2.884   0.291
  151   1HB   CYS  20          HB2       CYS  20  -3.185   0.831   1.892
  152   2HB   CYS  20          HB1       CYS  20  -3.593   1.424   0.259
  153    H    CYS  21           HN       CYS  21  -3.464   4.295   0.025
  154    HA   CYS  21           HA       CYS  21  -3.908   5.861   2.348
  155   1HB   CYS  21          HB2       CYS  21  -4.920   5.951  -0.495
  156   2HB   CYS  21          HB1       CYS  21  -5.967   6.710   0.729
  157    H    SER  22           HN       SER  22  -5.705   3.157   0.936
  158    HA   SER  22           HA       SER  22  -7.895   3.498   2.774
  159   1HB   SER  22          HB2       SER  22  -8.578   1.228   1.636
  160   2HB   SER  22          HB1       SER  22  -8.557   2.706   0.619
  161    HG   SER  22           HG       SER  22  -6.870   0.494   0.645
  162    H    GLY  23           HN       GLY  23  -4.743   2.599   3.214
  163   1HA   GLY  23          HA2       GLY  23  -4.097   2.007   5.252
  164   2HA   GLY  23          HA1       GLY  23  -5.570   1.000   5.508
  165    H    ALA  24           HN       ALA  24  -5.718  -0.901   3.818
  166    HA   ALA  24           HA       ALA  24  -3.440  -2.364   4.764
  167   1HB   ALA  24          HB1       ALA  24  -5.819  -3.507   3.199
  168   2HB   ALA  24          HB2       ALA  24  -5.797  -3.306   4.995
  169   3HB   ALA  24          HB3       ALA  24  -4.636  -4.424   4.198
  170    H    CYS  25           HN       CYS  25  -2.036  -3.736   3.562
  171    HA   CYS  25           HA       CYS  25  -1.950  -3.339   0.679
  172   1HB   CYS  25          HB2       CYS  25  -0.037  -2.032   1.677
  173   2HB   CYS  25          HB1       CYS  25   0.268  -3.339   2.850
  174    H    VAL  26           HN       VAL  26  -2.145  -5.439  -0.187
  175    HA   VAL  26           HA       VAL  26  -0.870  -7.586   1.216
  176    HB   VAL  26           HB       VAL  26  -3.009  -7.713   2.317
  177   1HG1  VAL  26          HG11      VAL  26  -5.139  -8.111   1.087
  178   2HG1  VAL  26          HG12      VAL  26  -4.324  -7.785  -0.481
  179   3HG1  VAL  26          HG13      VAL  26  -4.461  -6.479   0.756
  180   1HG2  VAL  26          HG21      VAL  26  -2.767  -9.948   0.203
  181   2HG2  VAL  26          HG22      VAL  26  -3.571 -10.047   1.810
  182   3HG2  VAL  26          HG23      VAL  26  -1.787  -9.813   1.714
  183    H    GLY  27           HN       GLY  27   0.196  -6.326  -0.748
  184   1HA   GLY  27          HA2       GLY  27   1.121  -6.956  -2.730
  185   2HA   GLY  27          HA1       GLY  27  -0.314  -7.991  -3.111
  186    H    VAL  28           HN       VAL  28  -2.451  -6.684  -3.064
  187    HA   VAL  28           HA       VAL  28  -2.098  -4.187  -4.568
  188    HB   VAL  28           HB       VAL  28  -4.544  -4.185  -4.846
  189   1HG1  VAL  28          HG11      VAL  28  -4.620  -6.104  -6.463
  190   2HG1  VAL  28          HG12      VAL  28  -3.123  -6.788  -5.740
  191   3HG1  VAL  28          HG13      VAL  28  -3.070  -5.192  -6.573
  192   1HG2  VAL  28          HG21      VAL  28  -5.227  -5.417  -2.778
  193   2HG2  VAL  28          HG22      VAL  28  -4.454  -6.928  -3.390
  194   3HG2  VAL  28          HG23      VAL  28  -5.872  -6.223  -4.243
  195    H    CYS  29           HN       CYS  29  -3.097  -2.253  -3.715
  196    HA   CYS  29           HA       CYS  29  -3.307  -2.160  -0.815
  197   1HB   CYS  29          HB2       CYS  29  -3.786  -0.169  -3.101
  198   2HB   CYS  29          HB1       CYS  29  -4.211   0.239  -1.412
  199    H    ALA  30           HN       ALA  30  -5.210  -2.386   0.271
  200    HA   ALA  30           HA       ALA  30  -7.718  -2.111  -1.177
  201   1HB   ALA  30          HB1       ALA  30  -8.567  -4.348  -0.362
  202   2HB   ALA  30          HB2       ALA  30  -6.934  -4.700   0.347
  203   3HB   ALA  30          HB3       ALA  30  -7.152  -4.586  -1.434
  204    H    ASP  31           HN       ASP  31  -8.725  -3.615   1.475
  205    HA   ASP  31           HA       ASP  31  -7.655  -2.093   3.545
  206   1HB   ASP  31          HB2       ASP  31  -9.876  -1.323   4.436
  207   2HB   ASP  31          HB1       ASP  31  -9.416  -0.400   2.971
  208    H    LEU  32           HN       LEU  32  -8.763  -3.387   5.544
  209    HA   LEU  32           HA       LEU  32 -10.257  -5.616   4.887
  210   1HB   LEU  32          HB2       LEU  32  -7.392  -5.951   6.055
  211   2HB   LEU  32          HB1       LEU  32  -8.695  -7.147   6.332
  212    HG   LEU  32           HG       LEU  32  -7.603  -6.429   3.550
  213   1HD1  LEU  32          HD11      LEU  32  -5.779  -7.424   4.874
  214   2HD1  LEU  32          HD12      LEU  32  -6.367  -8.614   3.661
  215   3HD1  LEU  32          HD13      LEU  32  -6.839  -8.786   5.391
  216   1HD2  LEU  32          HD21      LEU  32  -8.710  -8.530   2.809
  217   2HD2  LEU  32          HD22      LEU  32  -9.912  -7.386   3.492
  218   3HD2  LEU  32          HD23      LEU  32  -9.359  -8.801   4.465
  219   1HN   NH2  33          H1        NH2  33 -10.589  -5.038   8.546
  220   2HN   NH2  33          H2        NH2  33 -10.645  -6.349   7.412
  Start of MODEL   17
    1   1H    ASP   1          HT1       ASP   1   6.909   5.773  -0.207
    2   2H    ASP   1          HT2       ASP   1   8.389   6.273   0.246
    3   3H    ASP   1          HT3       ASP   1   7.774   6.723  -1.201
    4    HA   ASP   1           HA       ASP   1   6.939   7.580   1.456
    5   1HB   ASP   1          HB2       ASP   1   7.854   9.134  -1.085
    6   2HB   ASP   1          HB1       ASP   1   7.255   9.937   0.408
    7    H    ASP   2           HN       ASP   2   5.210   9.605   0.926
    8    HA   ASP   2           HA       ASP   2   3.202  10.135   0.416
    9   1HB   ASP   2          HB2       ASP   2   3.347   8.381  -2.099
   10   2HB   ASP   2          HB1       ASP   2   2.101   9.641  -1.746
   11    H    CYS   3           HN       CYS   3   1.178   8.086  -0.983
   12    HA   CYS   3           HA       CYS   3   1.356   5.899   0.731
   13   1HB   CYS   3          HB2       CYS   3  -1.051   5.829   1.342
   14   2HB   CYS   3          HB1       CYS   3  -0.207   7.135   2.200
   15    H    ILE   4           HN       ILE   4  -0.072   4.284  -0.490
   16    HA   ILE   4           HA       ILE   4  -0.030   5.078  -3.330
   17    HB   ILE   4           HB       ILE   4   0.384   2.338  -2.069
   18   1HG1  ILE   4          HG12      ILE   4   2.281   4.366  -3.434
   19   2HG1  ILE   4          HG11      ILE   4   2.290   3.890  -1.706
   20   1HG2  ILE   4          HG21      ILE   4  -0.747   2.064  -4.255
   21   2HG2  ILE   4          HG22      ILE   4   0.973   1.675  -4.454
   22   3HG2  ILE   4          HG23      ILE   4   0.373   3.260  -5.032
   23   1HD1  ILE   4          HD11      ILE   4   3.021   2.090  -4.104
   24   2HD1  ILE   4          HD12      ILE   4   2.861   1.512  -2.397
   25   3HD1  ILE   4          HD13      ILE   4   4.112   2.739  -2.832
   26    H    LYS   5           HN       LYS   5  -1.677   3.930  -4.616
   27    HA   LYS   5           HA       LYS   5  -4.056   5.091  -3.552
   28   1HB   LYS   5          HB2       LYS   5  -2.845   5.653  -5.808
   29   2HB   LYS   5          HB1       LYS   5  -3.361   4.042  -6.381
   30   1HG   LYS   5          HG2       LYS   5  -4.797   5.680  -7.360
   31   2HG   LYS   5          HG1       LYS   5  -5.770   4.753  -6.187
   32   1HD   LYS   5          HD2       LYS   5  -6.365   7.113  -6.114
   33   2HD   LYS   5          HD1       LYS   5  -5.573   6.697  -4.559
   34   1HE   LYS   5          HE2       LYS   5  -3.481   7.818  -5.238
   35   2HE   LYS   5          HE1       LYS   5  -4.116   8.061  -6.920
   36   1HZ   LYS   5          HZ1       LYS   5  -5.683   9.560  -6.085
   37   2HZ   LYS   5          HZ2       LYS   5  -4.248   9.990  -5.450
   38   3HZ   LYS   5          HZ3       LYS   5  -5.352   9.237  -4.524
   39    HA   HYP   6           HA       HYP   6  -5.746   1.174  -2.827
   40   1HB   HYP   6          HB1       HYP   6  -7.964   1.452  -2.045
   41   2HB   HYP   6          HB2       HYP   6  -8.517   2.067  -3.642
   42   1HD   HYP   6          HD1       HYP   6  -7.183   4.266  -4.479
   43   2HD   HYP   6          HD2       HYP   6  -6.133   5.067  -3.237
   44    HOD  HYP   6           HOD      HYP   6  -6.837   2.826  -0.821
   45    HG   HYP   6           HG       HYP   6  -8.492   4.147  -2.353
   46    H    TYR   7           HN       TYR   7  -5.974  -0.792  -3.964
   47    HA   TYR   7           HA       TYR   7  -6.119  -2.175  -5.522
   48   1HB   TYR   7          HB2       TYR   7  -7.621  -0.167  -7.289
   49   2HB   TYR   7          HB1       TYR   7  -7.300  -1.889  -7.719
   50    HD1  TYR   7           HD1      TYR   7  -9.526   0.325  -5.946
   51    HD2  TYR   7           HD2      TYR   7  -8.052  -3.708  -6.052
   52    HE1  TYR   7           HE1      TYR   7 -11.506  -0.425  -4.690
   53    HE2  TYR   7           HE2      TYR   7 -10.018  -4.470  -4.773
   54    HH   TYR   7           HH       TYR   7 -12.531  -2.197  -3.639
   55    H    GLY   8           HN       GLY   8  -4.094   0.408  -5.541
   56   1HA   GLY   8          HA2       GLY   8  -2.744  -0.412  -8.007
   57   2HA   GLY   8          HA1       GLY   8  -2.331   0.920  -6.843
   58    H    PHE   9           HN       PHE   9  -0.298  -0.971  -7.651
   59    HA   PHE   9           HA       PHE   9  -0.244  -3.170  -5.847
   60   1HB   PHE   9          HB2       PHE   9   2.013  -1.963  -7.581
   61   2HB   PHE   9          HB1       PHE   9   2.100  -3.531  -6.692
   62    HD1  PHE   9           HD1      PHE   9   0.806  -1.819  -9.672
   63    HD2  PHE   9           HD2      PHE   9   0.614  -5.413  -7.320
   64    HE1  PHE   9           HE1      PHE   9  -0.250  -2.997 -11.567
   65    HE2  PHE   9           HE2      PHE   9  -0.405  -6.603  -9.235
   66    HZ   PHE   9           HZ       PHE   9  -0.831  -5.403 -11.369
   67    H    CYS  10           HN       CYS  10   1.230  -3.431  -3.945
   68    HA   CYS  10           HA       CYS  10   2.658  -1.011  -3.233
   69   1HB   CYS  10          HB2       CYS  10   1.880  -1.071  -0.850
   70   2HB   CYS  10          HB1       CYS  10   0.601  -0.585  -1.994
   71    H    SER  11           HN       SER  11   4.197  -1.670  -1.357
   72    HA   SER  11           HA       SER  11   5.221  -4.263  -1.929
   73   1HB   SER  11          HB2       SER  11   7.003  -3.085  -0.228
   74   2HB   SER  11          HB1       SER  11   6.870  -2.586  -1.948
   75    HG   SER  11           HG       SER  11   6.801  -0.747  -0.810
   76    H    LEU  12           HN       LEU  12   5.632  -2.981   1.370
   77    HA   LEU  12           HA       LEU  12   3.242  -3.960   2.376
   78   1HB   LEU  12          HB2       LEU  12   5.927  -5.302   3.165
   79   2HB   LEU  12          HB1       LEU  12   4.521  -5.245   4.278
   80    HG   LEU  12           HG       LEU  12   4.556  -6.649   1.548
   81   1HD1  LEU  12          HD11      LEU  12   4.726  -7.889   4.367
   82   2HD1  LEU  12          HD12      LEU  12   6.066  -7.778   3.159
   83   3HD1  LEU  12          HD13      LEU  12   4.607  -8.780   2.803
   84   1HD2  LEU  12          HD21      LEU  12   2.246  -5.978   2.090
   85   2HD2  LEU  12          HD22      LEU  12   2.396  -6.651   3.762
   86   3HD2  LEU  12          HD23      LEU  12   2.423  -7.746   2.335
   87    HA   PRO  13           HA       PRO  13   5.096  -0.420   4.380
   88   1HB   PRO  13          HB2       PRO  13   3.805  -0.280   6.856
   89   2HB   PRO  13          HB1       PRO  13   2.968   0.064   5.290
   90   1HG   PRO  13          HG1       PRO  13   2.985  -2.571   6.866
   91   2HG   PRO  13          HG2       PRO  13   1.550  -1.691   6.205
   92   1HD   PRO  13          HD1       PRO  13   2.781  -3.796   4.857
   93   2HD   PRO  13          HD2       PRO  13   2.112  -2.367   3.939
   94    H    ILE  14           HN       ILE  14   7.104  -0.111   5.530
   95    HA   ILE  14           HA       ILE  14   7.672  -1.940   7.700
   96    HB   ILE  14           HB       ILE  14   9.647  -1.529   5.356
   97   1HG1  ILE  14          HG12      ILE  14   8.225  -4.096   6.284
   98   2HG1  ILE  14          HG11      ILE  14   7.886  -3.173   4.785
   99   1HG2  ILE  14          HG21      ILE  14   9.912  -2.965   8.089
  100   2HG2  ILE  14          HG22      ILE  14  10.750  -1.456   7.584
  101   3HG2  ILE  14          HG23      ILE  14  11.149  -2.992   6.777
  102   1HD1  ILE  14          HD11      ILE  14  10.538  -4.621   5.429
  103   2HD1  ILE  14          HD12      ILE  14  10.245  -3.581   3.982
  104   3HD1  ILE  14          HD13      ILE  14   9.295  -5.094   4.226
  105    H    LEU  15           HN       LEU  15   9.241   0.426   5.531
  106    HA   LEU  15           HA       LEU  15   9.112   2.464   7.628
  107   1HB   LEU  15          HB2       LEU  15  11.081   2.273   5.240
  108   2HB   LEU  15          HB1       LEU  15  10.947   3.677   6.355
  109    HG   LEU  15           HG       LEU  15  11.845   0.864   7.182
  110   1HD1  LEU  15          HD11      LEU  15  13.527   3.390   6.611
  111   2HD1  LEU  15          HD12      LEU  15  13.485   1.870   5.638
  112   3HD1  LEU  15          HD13      LEU  15  14.150   1.849   7.310
  113   1HD2  LEU  15          HD21      LEU  15  11.894   3.525   8.755
  114   2HD2  LEU  15          HD22      LEU  15  12.626   1.973   9.291
  115   3HD2  LEU  15          HD23      LEU  15  10.843   2.099   9.096
  116    H    LYS  16           HN       LYS  16   9.183   4.603   5.766
  117    HA   LYS  16           HA       LYS  16   6.641   4.176   4.505
  118   1HB   LYS  16          HB2       LYS  16   8.453   6.643   4.550
  119   2HB   LYS  16          HB1       LYS  16   6.788   6.600   3.882
  120   1HG   LYS  16          HG2       LYS  16   7.631   6.181   6.813
  121   2HG   LYS  16          HG1       LYS  16   6.805   7.616   6.134
  122   1HD   LYS  16          HD2       LYS  16   5.585   4.776   6.407
  123   2HD   LYS  16          HD1       LYS  16   5.366   6.158   7.511
  124   1HE   LYS  16          HE2       LYS  16   3.370   6.179   6.221
  125   2HE   LYS  16          HE1       LYS  16   4.386   7.490   5.500
  126   1HZ   LYS  16          HZ1       LYS  16   3.653   4.892   4.425
  127   2HZ   LYS  16          HZ2       LYS  16   5.073   5.533   3.968
  128   3HZ   LYS  16          HZ3       LYS  16   3.688   6.349   3.703
  129    H    ASN  17           HN       ASN  17   7.763   2.427   3.235
  130    HA   ASN  17           HA       ASN  17   8.973   3.326   0.758
  131   1HB   ASN  17          HB2       ASN  17   9.451   0.995   1.686
  132   2HB   ASN  17          HB1       ASN  17   7.728   0.570   1.421
  133   1HD2  ASN  17          HD21      ASN  17  10.732   1.728  -0.348
  134   2HD2  ASN  17          HD22      ASN  17  10.276   1.004  -1.858
  135    H    GLY  18           HN       GLY  18   5.801   1.779   1.772
  136   1HA   GLY  18          HA2       GLY  18   4.399   3.808   0.425
  137   2HA   GLY  18          HA1       GLY  18   4.228   2.114  -0.260
  138    H    LEU  19           HN       LEU  19   2.086   3.456   1.282
  139    HA   LEU  19           HA       LEU  19   1.589   1.360   3.063
  140   1HB   LEU  19          HB2       LEU  19   2.462   3.059   4.757
  141   2HB   LEU  19          HB1       LEU  19   1.534   4.349   3.931
  142    HG   LEU  19           HG       LEU  19  -0.607   3.311   4.592
  143   1HD1  LEU  19          HD11      LEU  19   0.090   0.882   4.714
  144   2HD1  LEU  19          HD12      LEU  19  -0.775   1.441   6.183
  145   3HD1  LEU  19          HD13      LEU  19   1.016   1.247   6.215
  146   1HD2  LEU  19          HD21      LEU  19  -0.559   3.858   6.980
  147   2HD2  LEU  19          HD22      LEU  19   0.463   5.024   6.061
  148   3HD2  LEU  19          HD23      LEU  19   1.236   3.704   7.024
  149    H    CYS  20           HN       CYS  20  -0.960   1.542   2.939
  150    HA   CYS  20           HA       CYS  20  -1.537   2.721   0.333
  151   1HB   CYS  20          HB2       CYS  20  -3.067   0.725   2.067
  152   2HB   CYS  20          HB1       CYS  20  -3.645   1.368   0.491
  153    H    CYS  21           HN       CYS  21  -3.174   4.246   0.014
  154    HA   CYS  21           HA       CYS  21  -3.571   5.955   2.206
  155   1HB   CYS  21          HB2       CYS  21  -5.188   5.920  -0.398
  156   2HB   CYS  21          HB1       CYS  21  -5.033   7.287   0.747
  157    H    SER  22           HN       SER  22  -5.550   3.249   0.935
  158    HA   SER  22           HA       SER  22  -7.724   3.872   2.724
  159   1HB   SER  22          HB2       SER  22  -8.548   1.566   1.762
  160   2HB   SER  22          HB1       SER  22  -8.482   2.981   0.661
  161    HG   SER  22           HG       SER  22  -6.960   0.665   0.730
  162    H    GLY  23           HN       GLY  23  -4.636   2.729   3.325
  163   1HA   GLY  23          HA2       GLY  23  -4.127   2.098   5.401
  164   2HA   GLY  23          HA1       GLY  23  -5.703   1.251   5.620
  165    H    ALA  24           HN       ALA  24  -5.976  -0.693   3.925
  166    HA   ALA  24           HA       ALA  24  -3.812  -2.316   4.913
  167   1HB   ALA  24          HB1       ALA  24  -5.143  -4.284   4.304
  168   2HB   ALA  24          HB2       ALA  24  -6.284  -3.259   3.355
  169   3HB   ALA  24          HB3       ALA  24  -6.197  -3.103   5.149
  170    H    CYS  25           HN       CYS  25  -2.679  -4.053   3.521
  171    HA   CYS  25           HA       CYS  25  -2.325  -3.281   0.795
  172   1HB   CYS  25          HB2       CYS  25  -0.641  -1.807   2.053
  173   2HB   CYS  25          HB1       CYS  25  -0.143  -3.225   3.006
  174    H    VAL  26           HN       VAL  26  -1.248  -5.191  -0.131
  175    HA   VAL  26           HA       VAL  26  -0.637  -7.475   1.196
  176    HB   VAL  26           HB       VAL  26  -3.062  -7.853   1.466
  177   1HG1  VAL  26          HG11      VAL  26  -4.632  -8.031  -0.409
  178   2HG1  VAL  26          HG12      VAL  26  -3.374  -7.575  -1.602
  179   3HG1  VAL  26          HG13      VAL  26  -3.923  -6.378  -0.380
  180   1HG2  VAL  26          HG21      VAL  26  -3.247 -10.053   0.418
  181   2HG2  VAL  26          HG22      VAL  26  -1.589  -9.791   1.067
  182   3HG2  VAL  26          HG23      VAL  26  -1.894  -9.704  -0.708
  183    H    GLY  27           HN       GLY  27  -1.312  -8.474  -1.945
  184   1HA   GLY  27          HA2       GLY  27   1.059  -7.239  -2.863
  185   2HA   GLY  27          HA1       GLY  27  -0.144  -8.167  -3.827
  186    H    VAL  28           HN       VAL  28  -1.985  -5.846  -2.513
  187    HA   VAL  28           HA       VAL  28  -1.476  -3.765  -4.348
  188    HB   VAL  28           HB       VAL  28  -3.930  -3.692  -5.087
  189   1HG1  VAL  28          HG11      VAL  28  -2.173  -5.952  -6.249
  190   2HG1  VAL  28          HG12      VAL  28  -2.064  -4.201  -6.657
  191   3HG1  VAL  28          HG13      VAL  28  -3.545  -5.126  -7.081
  192   1HG2  VAL  28          HG21      VAL  28  -4.754  -5.460  -3.443
  193   2HG2  VAL  28          HG22      VAL  28  -3.866  -6.715  -4.385
  194   3HG2  VAL  28          HG23      VAL  28  -5.217  -5.803  -5.147
  195    H    CYS  29           HN       CYS  29  -2.911  -2.002  -3.675
  196    HA   CYS  29           HA       CYS  29  -3.241  -1.994  -0.817
  197   1HB   CYS  29          HB2       CYS  29  -3.856   0.005  -3.082
  198   2HB   CYS  29          HB1       CYS  29  -4.292   0.356  -1.378
  199    H    ALA  30           HN       ALA  30  -5.152  -2.036   0.367
  200    HA   ALA  30           HA       ALA  30  -7.626  -2.310  -1.154
  201   1HB   ALA  30          HB1       ALA  30  -6.701  -4.663  -1.024
  202   2HB   ALA  30          HB2       ALA  30  -8.173  -4.505  -0.019
  203   3HB   ALA  30          HB3       ALA  30  -6.538  -4.490   0.756
  204    H    ASP  31           HN       ASP  31  -8.868  -3.395   1.388
  205    HA   ASP  31           HA       ASP  31  -8.297  -1.521   3.397
  206   1HB   ASP  31          HB2       ASP  31 -10.824  -0.961   3.613
  207   2HB   ASP  31          HB1       ASP  31 -10.007  -0.086   2.285
  208    H    LEU  32           HN       LEU  32  -9.509  -2.694   5.335
  209    HA   LEU  32           HA       LEU  32 -10.586  -5.203   4.796
  210   1HB   LEU  32          HB2       LEU  32  -7.923  -4.866   6.380
  211   2HB   LEU  32          HB1       LEU  32  -9.000  -6.294   6.542
  212    HG   LEU  32           HG       LEU  32  -7.501  -5.487   3.978
  213   1HD1  LEU  32          HD11      LEU  32  -5.949  -6.169   5.828
  214   2HD1  LEU  32          HD12      LEU  32  -5.958  -7.361   4.473
  215   3HD1  LEU  32          HD13      LEU  32  -6.843  -7.726   6.001
  216   1HD2  LEU  32          HD21      LEU  32  -9.546  -6.799   3.454
  217   2HD2  LEU  32          HD22      LEU  32  -9.049  -8.080   4.625
  218   3HD2  LEU  32          HD23      LEU  32  -8.064  -7.765   3.146
  219   1HN   NH2  33          H1        NH2  33 -11.360  -5.653   7.237
  220   2HN   NH2  33          H2        NH2  33 -11.605  -4.241   8.212
  Start of MODEL   18
    1   1H    ASP   1          HT1       ASP   1   6.300   6.295  -1.550
    2   2H    ASP   1          HT2       ASP   1   7.265   7.596  -1.378
    3   3H    ASP   1          HT3       ASP   1   7.260   6.766  -2.793
    4    HA   ASP   1           HA       ASP   1   6.031   8.810  -3.024
    5   1HB   ASP   1          HB2       ASP   1   4.220   6.301  -2.803
    6   2HB   ASP   1          HB1       ASP   1   3.594   7.877  -3.413
    7    H    ASP   2           HN       ASP   2   3.104   8.596  -1.765
    8    HA   ASP   2           HA       ASP   2   3.966   9.510   0.900
    9   1HB   ASP   2          HB2       ASP   2   3.096  11.397  -0.535
   10   2HB   ASP   2          HB1       ASP   2   1.558  10.497  -0.769
   11    H    CYS   3           HN       CYS   3   0.859   8.576  -0.733
   12    HA   CYS   3           HA       CYS   3   0.984   6.155   0.841
   13   1HB   CYS   3          HB2       CYS   3  -1.392   6.009   1.220
   14   2HB   CYS   3          HB1       CYS   3  -0.719   7.442   2.033
   15    H    ILE   4           HN       ILE   4  -0.142   4.448  -0.251
   16    HA   ILE   4           HA       ILE   4   0.392   4.653  -3.105
   17    HB   ILE   4           HB       ILE   4  -0.100   2.182  -1.383
   18   1HG1  ILE   4          HG12      ILE   4   2.634   3.364  -2.140
   19   2HG1  ILE   4          HG11      ILE   4   1.877   3.510  -0.528
   20   1HG2  ILE   4          HG21      ILE   4   1.145   1.054  -3.319
   21   2HG2  ILE   4          HG22      ILE   4   1.103   2.612  -4.212
   22   3HG2  ILE   4          HG23      ILE   4  -0.429   1.743  -3.793
   23   1HD1  ILE   4          HD11      ILE   4   2.847   0.937  -1.878
   24   2HD1  ILE   4          HD12      ILE   4   1.687   0.927  -0.485
   25   3HD1  ILE   4          HD13      ILE   4   3.312   1.646  -0.286
   26    H    LYS   5           HN       LYS   5  -1.229   4.006  -4.593
   27    HA   LYS   5           HA       LYS   5  -3.671   5.158  -3.987
   28   1HB   LYS   5          HB2       LYS   5  -2.512   5.203  -6.222
   29   2HB   LYS   5          HB1       LYS   5  -2.776   3.431  -6.368
   30   1HG   LYS   5          HG2       LYS   5  -5.292   3.875  -6.441
   31   2HG   LYS   5          HG1       LYS   5  -4.940   5.632  -6.335
   32   1HD   LYS   5          HD2       LYS   5  -5.393   5.026  -8.651
   33   2HD   LYS   5          HD1       LYS   5  -3.672   5.501  -8.496
   34   1HE   LYS   5          HE2       LYS   5  -3.874   3.527  -9.980
   35   2HE   LYS   5          HE1       LYS   5  -3.022   3.028  -8.474
   36   1HZ   LYS   5          HZ1       LYS   5  -4.651   1.444  -9.014
   37   2HZ   LYS   5          HZ2       LYS   5  -5.839   2.548  -9.151
   38   3HZ   LYS   5          HZ3       LYS   5  -5.194   2.226  -7.693
   39    HA   HYP   6           HA       HYP   6  -5.930   1.507  -2.764
   40   1HB   HYP   6          HB1       HYP   6  -8.295   1.991  -2.660
   41   2HB   HYP   6          HB2       HYP   6  -8.259   2.854  -4.248
   42   1HD   HYP   6          HD1       HYP   6  -6.354   5.059  -4.250
   43   2HD   HYP   6          HD2       HYP   6  -5.453   5.047  -2.679
   44    HOD  HYP   6           HOD      HYP   6  -7.533   4.384  -0.791
   45    HG   HYP   6           HG       HYP   6  -8.222   4.745  -2.715
   46    H    TYR   7           HN       TYR   7  -6.033  -0.519  -3.786
   47    HA   TYR   7           HA       TYR   7  -5.650  -1.959  -5.277
   48   1HB   TYR   7          HB2       TYR   7  -7.822  -0.514  -6.888
   49   2HB   TYR   7          HB1       TYR   7  -7.172  -2.151  -7.287
   50    HD1  TYR   7           HD1      TYR   7  -9.488  -0.327  -5.159
   51    HD2  TYR   7           HD2      TYR   7  -7.213  -3.957  -5.495
   52    HE1  TYR   7           HE1      TYR   7 -10.925  -1.382  -3.450
   53    HE2  TYR   7           HE2      TYR   7  -8.626  -5.016  -3.788
   54    HH   TYR   7           HH       TYR   7 -10.452  -4.776  -2.431
   55    H    GLY   8           HN       GLY   8  -3.820   0.294  -5.325
   56   1HA   GLY   8          HA2       GLY   8  -2.761  -0.250  -8.020
   57   2HA   GLY   8          HA1       GLY   8  -2.200   0.992  -6.809
   58    H    PHE   9           HN       PHE   9  -0.384  -1.017  -7.773
   59    HA   PHE   9           HA       PHE   9  -0.419  -3.274  -6.073
   60   1HB   PHE   9          HB2       PHE   9   2.057  -2.108  -7.502
   61   2HB   PHE   9          HB1       PHE   9   1.828  -3.802  -6.918
   62    HD1  PHE   9           HD1      PHE   9  -0.593  -4.822  -7.893
   63    HD2  PHE   9           HD2      PHE   9   1.977  -1.948  -9.810
   64    HE1  PHE   9           HE1      PHE   9  -1.498  -5.473 -10.090
   65    HE2  PHE   9           HE2      PHE   9   1.085  -2.628 -12.012
   66    HZ   PHE   9           HZ       PHE   9  -0.642  -4.402 -12.162
   67    H    CYS  10           HN       CYS  10   1.186  -3.760  -4.288
   68    HA   CYS  10           HA       CYS  10   2.905  -1.712  -3.525
   69   1HB   CYS  10          HB2       CYS  10   2.232  -1.441  -1.167
   70   2HB   CYS  10          HB1       CYS  10   0.942  -0.822  -2.230
   71    H    SER  11           HN       SER  11   3.847  -3.031  -1.253
   72    HA   SER  11           HA       SER  11   4.148  -5.360  -0.611
   73   1HB   SER  11          HB2       SER  11   5.918  -6.431  -2.275
   74   2HB   SER  11          HB1       SER  11   4.180  -6.708  -2.610
   75    HG   SER  11           HG       SER  11   4.147  -5.136  -4.055
   76    H    LEU  12           HN       LEU  12   7.165  -4.993  -1.946
   77    HA   LEU  12           HA       LEU  12   7.623  -2.429  -0.601
   78   1HB   LEU  12          HB2       LEU  12   9.408  -4.916  -0.634
   79   2HB   LEU  12          HB1       LEU  12   9.930  -3.296  -0.051
   80    HG   LEU  12           HG       LEU  12   7.580  -4.879   1.147
   81   1HD1  LEU  12          HD11      LEU  12   9.674  -6.181   1.429
   82   2HD1  LEU  12          HD12      LEU  12   9.116  -5.511   3.004
   83   3HD1  LEU  12          HD13      LEU  12  10.500  -4.742   2.139
   84   1HD2  LEU  12          HD21      LEU  12   9.152  -2.444   2.232
   85   2HD2  LEU  12          HD22      LEU  12   7.833  -3.327   3.089
   86   3HD2  LEU  12          HD23      LEU  12   7.473  -2.420   1.584
   87    HA   PRO  13           HA       PRO  13   9.663  -2.089  -4.645
   88   1HB   PRO  13          HB2       PRO  13   8.362   0.124  -5.722
   89   2HB   PRO  13          HB1       PRO  13   7.730  -1.555  -5.902
   90   1HG   PRO  13          HG1       PRO  13   6.891   0.509  -3.783
   91   2HG   PRO  13          HG2       PRO  13   5.824  -0.464  -4.880
   92   1HD   PRO  13          HD1       PRO  13   6.390  -1.259  -2.291
   93   2HD   PRO  13          HD2       PRO  13   6.269  -2.482  -3.636
   94    H    ILE  14           HN       ILE  14   9.079  -0.241  -1.739
   95    HA   ILE  14           HA       ILE  14  10.265   1.012  -0.617
   96    HB   ILE  14           HB       ILE  14  12.489   0.943  -2.677
   97   1HG1  ILE  14          HG12      ILE  14  11.774  -0.828  -0.247
   98   2HG1  ILE  14          HG11      ILE  14  11.862  -1.338  -1.962
   99   1HG2  ILE  14          HG21      ILE  14  12.415   1.670   0.333
  100   2HG2  ILE  14          HG22      ILE  14  12.592   2.858  -1.012
  101   3HG2  ILE  14          HG23      ILE  14  13.880   1.647  -0.720
  102   1HD1  ILE  14          HD11      ILE  14  14.344  -0.872  -1.972
  103   2HD1  ILE  14          HD12      ILE  14  13.843  -2.139  -0.795
  104   3HD1  ILE  14          HD13      ILE  14  14.259  -0.493  -0.205
  105    H    LEU  15           HN       LEU  15  10.739   2.134  -3.964
  106    HA   LEU  15           HA       LEU  15  10.770   4.876  -3.143
  107   1HB   LEU  15          HB2       LEU  15  10.340   3.769  -6.001
  108   2HB   LEU  15          HB1       LEU  15  10.720   5.459  -5.561
  109    HG   LEU  15           HG       LEU  15  12.712   4.639  -6.362
  110   1HD1  LEU  15          HD11      LEU  15  14.343   4.595  -4.518
  111   2HD1  LEU  15          HD12      LEU  15  13.060   4.203  -3.324
  112   3HD1  LEU  15          HD13      LEU  15  13.051   5.799  -4.172
  113   1HD2  LEU  15          HD21      LEU  15  12.109   2.212  -6.473
  114   2HD2  LEU  15          HD22      LEU  15  12.571   2.025  -4.741
  115   3HD2  LEU  15          HD23      LEU  15  13.803   2.513  -5.954
  116    H    LYS  16           HN       LYS  16   8.416   2.669  -4.553
  117    HA   LYS  16           HA       LYS  16   6.376   4.758  -4.534
  118   1HB   LYS  16          HB2       LYS  16   6.089   1.931  -5.648
  119   2HB   LYS  16          HB1       LYS  16   4.988   3.328  -5.868
  120   1HG   LYS  16          HG2       LYS  16   6.837   4.556  -7.095
  121   2HG   LYS  16          HG1       LYS  16   7.874   3.098  -6.942
  122   1HD   LYS  16          HD2       LYS  16   6.092   1.776  -8.203
  123   2HD   LYS  16          HD1       LYS  16   5.208   3.325  -8.457
  124   1HE   LYS  16          HE2       LYS  16   7.239   4.259  -9.665
  125   2HE   LYS  16          HE1       LYS  16   8.077   2.670  -9.435
  126   1HZ   LYS  16          HZ1       LYS  16   5.614   3.148 -10.966
  127   2HZ   LYS  16          HZ2       LYS  16   6.264   1.682 -10.699
  128   3HZ   LYS  16          HZ3       LYS  16   7.084   2.789 -11.558
  129    H    ASN  17           HN       ASN  17   7.645   3.291  -2.052
  130    HA   ASN  17           HA       ASN  17   5.183   2.052  -1.096
  131   1HB   ASN  17          HB2       ASN  17   7.960   2.292   0.134
  132   2HB   ASN  17          HB1       ASN  17   6.578   2.065   1.226
  133   1HD2  ASN  17          HD21      ASN  17   4.914   0.231   0.437
  134   2HD2  ASN  17          HD22      ASN  17   5.670  -1.250  -0.048
  135    H    GLY  18           HN       GLY  18   4.625   2.802   1.278
  136   1HA   GLY  18          HA2       GLY  18   4.725   5.207   2.286
  137   2HA   GLY  18          HA1       GLY  18   3.430   5.235   0.970
  138    H    LEU  19           HN       LEU  19   1.828   4.983   2.864
  139    HA   LEU  19           HA       LEU  19   1.504   2.117   3.490
  140   1HB   LEU  19          HB2       LEU  19   0.117   4.646   4.602
  141   2HB   LEU  19          HB1       LEU  19  -0.533   2.997   4.873
  142    HG   LEU  19           HG       LEU  19   2.295   3.825   5.731
  143   1HD1  LEU  19          HD11      LEU  19   0.690   5.334   6.859
  144   2HD1  LEU  19          HD12      LEU  19   1.363   4.147   8.041
  145   3HD1  LEU  19          HD13      LEU  19  -0.309   3.928   7.393
  146   1HD2  LEU  19          HD21      LEU  19   0.468   1.522   6.691
  147   2HD2  LEU  19          HD22      LEU  19   2.152   1.863   7.245
  148   3HD2  LEU  19          HD23      LEU  19   1.857   1.340   5.550
  149    H    CYS  20           HN       CYS  20  -1.148   1.752   3.096
  150    HA   CYS  20           HA       CYS  20  -1.535   2.779   0.371
  151   1HB   CYS  20          HB2       CYS  20  -2.975   0.675   2.068
  152   2HB   CYS  20          HB1       CYS  20  -3.635   1.291   0.526
  153    H    CYS  21           HN       CYS  21  -3.383   4.103  -0.093
  154    HA   CYS  21           HA       CYS  21  -3.887   5.868   2.045
  155   1HB   CYS  21          HB2       CYS  21  -5.505   5.755  -0.539
  156   2HB   CYS  21          HB1       CYS  21  -5.321   7.149   0.557
  157    H    SER  22           HN       SER  22  -5.511   2.891   1.092
  158    HA   SER  22           HA       SER  22  -7.991   3.501   2.370
  159   1HB   SER  22          HB2       SER  22  -8.248   0.942   1.800
  160   2HB   SER  22          HB1       SER  22  -8.058   2.054   0.397
  161    HG   SER  22           HG       SER  22  -6.551   0.005   1.114
  162    H    GLY  23           HN       GLY  23  -4.784   2.474   3.269
  163   1HA   GLY  23          HA2       GLY  23  -4.330   2.120   5.514
  164   2HA   GLY  23          HA1       GLY  23  -5.821   1.113   5.674
  165    H    ALA  24           HN       ALA  24  -5.883  -0.869   4.116
  166    HA   ALA  24           HA       ALA  24  -3.505  -2.233   4.940
  167   1HB   ALA  24          HB1       ALA  24  -5.898  -3.422   3.441
  168   2HB   ALA  24          HB2       ALA  24  -5.764  -3.307   5.237
  169   3HB   ALA  24          HB3       ALA  24  -4.613  -4.332   4.310
  170    H    CYS  25           HN       CYS  25  -2.212  -3.704   3.592
  171    HA   CYS  25           HA       CYS  25  -2.050  -3.022   0.797
  172   1HB   CYS  25          HB2       CYS  25  -0.227  -1.638   1.941
  173   2HB   CYS  25          HB1       CYS  25   0.207  -3.057   2.934
  174    H    VAL  26           HN       VAL  26  -1.819  -5.025  -0.199
  175    HA   VAL  26           HA       VAL  26  -0.631  -7.185   1.266
  176    HB   VAL  26           HB       VAL  26  -2.955  -7.670   1.615
  177   1HG1  VAL  26          HG11      VAL  26  -3.521  -7.610  -1.415
  178   2HG1  VAL  26          HG12      VAL  26  -3.911  -6.269  -0.285
  179   3HG1  VAL  26          HG13      VAL  26  -4.662  -7.876  -0.052
  180   1HG2  VAL  26          HG21      VAL  26  -1.863  -9.560  -0.574
  181   2HG2  VAL  26          HG22      VAL  26  -3.074  -9.930   0.695
  182   3HG2  VAL  26          HG23      VAL  26  -1.379  -9.552   1.161
  183    H    GLY  27           HN       GLY  27  -1.507  -8.237  -1.878
  184   1HA   GLY  27          HA2       GLY  27   1.006  -7.196  -2.867
  185   2HA   GLY  27          HA1       GLY  27  -0.201  -8.225  -3.727
  186    H    VAL  28           HN       VAL  28  -1.848  -5.732  -2.399
  187    HA   VAL  28           HA       VAL  28  -1.620  -3.806  -4.436
  188    HB   VAL  28           HB       VAL  28  -4.145  -3.852  -4.898
  189   1HG1  VAL  28          HG11      VAL  28  -2.488  -6.191  -6.046
  190   2HG1  VAL  28          HG12      VAL  28  -2.473  -4.477  -6.619
  191   3HG1  VAL  28          HG13      VAL  28  -3.966  -5.469  -6.785
  192   1HG2  VAL  28          HG21      VAL  28  -5.354  -6.026  -4.661
  193   2HG2  VAL  28          HG22      VAL  28  -4.815  -5.441  -3.054
  194   3HG2  VAL  28          HG23      VAL  28  -3.922  -6.779  -3.879
  195    H    CYS  29           HN       CYS  29  -3.024  -2.014  -3.613
  196    HA   CYS  29           HA       CYS  29  -3.264  -2.078  -0.729
  197   1HB   CYS  29          HB2       CYS  29  -4.164  -0.078  -2.880
  198   2HB   CYS  29          HB1       CYS  29  -4.430   0.199  -1.131
  199    H    ALA  30           HN       ALA  30  -5.201  -2.274   0.500
  200    HA   ALA  30           HA       ALA  30  -7.674  -2.630  -0.936
  201   1HB   ALA  30          HB1       ALA  30  -6.611  -4.949  -1.141
  202   2HB   ALA  30          HB2       ALA  30  -8.086  -4.959  -0.124
  203   3HB   ALA  30          HB3       ALA  30  -6.446  -4.996   0.648
  204    H    ASP  31           HN       ASP  31  -8.609  -4.191   1.648
  205    HA   ASP  31           HA       ASP  31  -7.941  -2.367   3.700
  206   1HB   ASP  31          HB2       ASP  31 -10.398  -2.065   4.355
  207   2HB   ASP  31          HB1       ASP  31  -9.883  -1.087   2.939
  208    H    LEU  32           HN       LEU  32  -8.805  -3.589   5.717
  209    HA   LEU  32           HA       LEU  32  -9.937  -6.087   5.345
  210   1HB   LEU  32          HB2       LEU  32  -7.202  -5.757   6.801
  211   2HB   LEU  32          HB1       LEU  32  -8.309  -7.147   7.051
  212    HG   LEU  32           HG       LEU  32  -6.903  -6.461   4.400
  213   1HD1  LEU  32          HD11      LEU  32  -6.247  -8.651   6.476
  214   2HD1  LEU  32          HD12      LEU  32  -5.260  -7.183   6.122
  215   3HD1  LEU  32          HD13      LEU  32  -5.467  -8.455   4.865
  216   1HD2  LEU  32          HD21      LEU  32  -7.633  -8.746   3.671
  217   2HD2  LEU  32          HD22      LEU  32  -9.025  -7.660   3.980
  218   3HD2  LEU  32          HD23      LEU  32  -8.589  -8.926   5.189
  219   1HN   NH2  33          H1        NH2  33 -10.648  -6.375   7.827
  220   2HN   NH2  33          H2        NH2  33 -10.786  -4.909   8.738