*HEADER    PROTEIN-DNA COMPLEX                     18-AUG-00   1E7J
*TITLE     HMG-D COMPLEXED TO A BULGE DNA
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: HIGH MOBILITY GROUP PROTEIN D;
*COMPND   3 SYNONYM: HMG-D;
*COMPND   4 CHAIN: A;
*COMPND   5 FRAGMENT: HMG-D DOMAIN;
*COMPND   6 ENGINEERED: YES;
*COMPND   7 MOL_ID: 2;
*COMPND   8 MOLECULE: DNA
*COMPND   9  (5'-D(*CP*GP*AP*TP*AP*TP*TP*AP*AP*GP*AP*GP*CP*C)-3');
*COMPND  10 CHAIN: B;
*COMPND  11 MOL_ID: 3;
*COMPND  12 MOLECULE: DNA
*COMPND  13  (5'-D(*GP*GP*CP*TP*CP*AP*AP*TP*AP*TP*CP*G)-3');
*COMPND  14 CHAIN: C
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;
*SOURCE   3 ORGANISM_COMMON: FRUIT FLY;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET13A;
*SOURCE   7 MOL_ID: 2;
*SOURCE   8 SYNTHETIC: NON-BIOLOGICAL SEQUENCE;
*SOURCE   9 MOL_ID: 3;
*SOURCE  10 SYNTHETIC: NON-BIOLOGICAL SEQUENCE
*KEYWDS    PROTEIN-DNA COMPLEX
*EXPDTA    NMR, 10 STRUCTURES
*AUTHOR    R.CERDAN,D.PAYET,J.-C.YANG,A.TRAVERS,D.NEUHAUS
*REVDAT   2   29-MAR-01 1E7J    1       COMPND
*REVDAT   1   05-MAR-01 1E7J    0




! backbone.tbl


assign ( resid  9 and name C   and segid HMGD )
       ( resid 10 and name N   and segid HMGD )
       ( resid 10 and name CA  and segid HMGD )
       ( resid 10 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 10 and name C   and segid HMGD )
       ( resid 11 and name N   and segid HMGD )
       ( resid 11 and name CA  and segid HMGD )
       ( resid 11 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 11 and name C   and segid HMGD )
       ( resid 12 and name N   and segid HMGD )
       ( resid 12 and name CA  and segid HMGD )
       ( resid 12 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 12 and name C   and segid HMGD )
       ( resid 13 and name N   and segid HMGD )
       ( resid 13 and name CA  and segid HMGD )
       ( resid 13 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 13 and name C   and segid HMGD )
       ( resid 14 and name N   and segid HMGD )
       ( resid 14 and name CA  and segid HMGD )
       ( resid 14 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 14 and name C   and segid HMGD )
       ( resid 15 and name N   and segid HMGD )
       ( resid 15 and name CA  and segid HMGD )
       ( resid 15 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 15 and name C   and segid HMGD )
       ( resid 16 and name N   and segid HMGD )
       ( resid 16 and name CA  and segid HMGD )
       ( resid 16 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 20 and name C   and segid HMGD )
       ( resid 21 and name N   and segid HMGD )
       ( resid 21 and name CA  and segid HMGD )
       ( resid 21 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 21 and name C   and segid HMGD )
       ( resid 22 and name N   and segid HMGD )
       ( resid 22 and name CA  and segid HMGD )
       ( resid 22 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 22 and name C   and segid HMGD )
       ( resid 23 and name N   and segid HMGD )
       ( resid 23 and name CA  and segid HMGD )
       ( resid 23 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 26 and name C   and segid HMGD )
       ( resid 27 and name N   and segid HMGD )
       ( resid 27 and name CA  and segid HMGD )
       ( resid 27 and name C   and segid HMGD ) 1.0 -120.0 40.0 2

assign ( resid 29 and name C   and segid HMGD )
       ( resid 30 and name N   and segid HMGD )
       ( resid 30 and name CA  and segid HMGD )
       ( resid 30 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 31 and name C   and segid HMGD )
       ( resid 32 and name N   and segid HMGD )
       ( resid 32 and name CA  and segid HMGD )
       ( resid 32 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 32 and name C   and segid HMGD )
       ( resid 33 and name N   and segid HMGD )
       ( resid 33 and name CA  and segid HMGD )
       ( resid 33 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 34 and name C   and segid HMGD )
       ( resid 35 and name N   and segid HMGD )
       ( resid 35 and name CA  and segid HMGD )
       ( resid 35 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 36 and name C   and segid HMGD )
       ( resid 37 and name N   and segid HMGD )
       ( resid 37 and name CA  and segid HMGD )
       ( resid 37 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 37 and name C   and segid HMGD )
       ( resid 38 and name N   and segid HMGD )
       ( resid 38 and name CA  and segid HMGD )
       ( resid 38 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 41 and name C   and segid HMGD )
       ( resid 42 and name N   and segid HMGD )
       ( resid 42 and name CA  and segid HMGD )
       ( resid 42 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 42 and name C   and segid HMGD )
       ( resid 43 and name N   and segid HMGD )
       ( resid 43 and name CA  and segid HMGD )
       ( resid 43 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 43 and name C   and segid HMGD )
       ( resid 44 and name N   and segid HMGD )
       ( resid 44 and name CA  and segid HMGD )
       ( resid 44 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 45 and name C   and segid HMGD )
       ( resid 46 and name N   and segid HMGD )
       ( resid 46 and name CA  and segid HMGD )
       ( resid 46 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 47 and name C   and segid HMGD )
       ( resid 48 and name N   and segid HMGD )
       ( resid 48 and name CA  and segid HMGD )
       ( resid 48 and name C   and segid HMGD ) 1.0 -120.0 40.0 2

assign ( resid 48 and name C   and segid HMGD )
       ( resid 49 and name N   and segid HMGD )
       ( resid 49 and name CA  and segid HMGD )
       ( resid 49 and name C   and segid HMGD ) 1.0 -120.0 40.0 2

assign ( resid 49 and name C   and segid HMGD )
       ( resid 50 and name N   and segid HMGD )
       ( resid 50 and name CA  and segid HMGD )
       ( resid 50 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 50 and name C   and segid HMGD )
       ( resid 51 and name N   and segid HMGD )
       ( resid 51 and name CA  and segid HMGD )
       ( resid 51 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 52 and name C   and segid HMGD )
       ( resid 53 and name N   and segid HMGD )
       ( resid 53 and name CA  and segid HMGD )
       ( resid 53 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 53 and name C   and segid HMGD )
       ( resid 54 and name N   and segid HMGD )
       ( resid 54 and name CA  and segid HMGD )
       ( resid 54 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 55 and name C   and segid HMGD )
       ( resid 56 and name N   and segid HMGD )
       ( resid 56 and name CA  and segid HMGD )
       ( resid 56 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 56 and name C   and segid HMGD )
       ( resid 57 and name N   and segid HMGD )
       ( resid 57 and name CA  and segid HMGD )
       ( resid 57 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 58 and name C   and segid HMGD )
       ( resid 59 and name N   and segid HMGD )
       ( resid 59 and name CA  and segid HMGD )
       ( resid 59 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 59 and name C   and segid HMGD )
       ( resid 60 and name N   and segid HMGD )
       ( resid 60 and name CA  and segid HMGD )
       ( resid 60 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 60 and name C   and segid HMGD )
       ( resid 61 and name N   and segid HMGD )
       ( resid 61 and name CA  and segid HMGD )
       ( resid 61 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 61 and name C   and segid HMGD )
       ( resid 62 and name N   and segid HMGD )
       ( resid 62 and name CA  and segid HMGD )
       ( resid 62 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 62 and name C   and segid HMGD )
       ( resid 63 and name N   and segid HMGD )
       ( resid 63 and name CA  and segid HMGD )
       ( resid 63 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 63 and name C   and segid HMGD )
       ( resid 64 and name N   and segid HMGD )
       ( resid 64 and name CA  and segid HMGD )
       ( resid 64 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 64 and name C   and segid HMGD )
       ( resid 65 and name N   and segid HMGD )
       ( resid 65 and name CA  and segid HMGD )
       ( resid 65 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 66 and name C   and segid HMGD )
       ( resid 67 and name N   and segid HMGD )
       ( resid 67 and name CA  and segid HMGD )
       ( resid 67 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 67 and name C   and segid HMGD )
       ( resid 68 and name N   and segid HMGD )
       ( resid 68 and name CA  and segid HMGD )
       ( resid 68 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 70 and name C   and segid HMGD )
       ( resid 71 and name N   and segid HMGD )
       ( resid 71 and name CA  and segid HMGD )
       ( resid 71 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 71 and name C   and segid HMGD )
       ( resid 72 and name N   and segid HMGD )
       ( resid 72 and name CA  and segid HMGD )
       ( resid 72 and name C   and segid HMGD ) 1.0 -57.0 40.0 2

assign ( resid 72 and name C   and segid HMGD )
       ( resid 73 and name N   and segid HMGD )
       ( resid 73 and name CA  and segid HMGD )
       ( resid 73 and name C   and segid HMGD ) 1.0 -120.0 40.0 2

! chi1.tbl

assign ( resid 4 and name N   and segid HMGD )
       ( resid 4 and name CA  and segid HMGD )
       ( resid 4 and name CB  and segid HMGD )
       ( resid 4 and name CG  and segid HMGD ) 1.0 180.0 60.0 2

assign ( resid 31 and name N   and segid HMGD )
       ( resid 31 and name CA  and segid HMGD )
       ( resid 31 and name CB  and segid HMGD )
       ( resid 31 and name CG and segid HMGD ) 1.0 -60.0 60.0 2

assign ( resid 42 and name N   and segid HMGD )
       ( resid 42 and name CA  and segid HMGD )
       ( resid 42 and name CB  and segid HMGD )
       ( resid 42 and name CG and segid HMGD ) 1.0 -60.0 60.0 2

assign ( resid 48 and name N   and segid HMGD )
       ( resid 48 and name CA  and segid HMGD )
       ( resid 48 and name CB  and segid HMGD )
       ( resid 48 and name CG and segid HMGD ) 1.0 -60.0 60.0 2

assign ( resid 52 and name N   and segid HMGD )
       ( resid 52 and name CA  and segid HMGD )
       ( resid 52 and name CB  and segid HMGD )
       ( resid 52 and name CG and segid HMGD ) 1.0 -60.0 60.0 2

assign ( resid 60 and name N   and segid HMGD )
       ( resid 60 and name CA  and segid HMGD )
       ( resid 60 and name CB  and segid HMGD )
       ( resid 60 and name CG and segid HMGD ) 1.0 200.0 60.0 2

assign ( resid 63 and name N   and segid HMGD )
       ( resid 63 and name CA  and segid HMGD )
       ( resid 63 and name CB  and segid HMGD )
       ( resid 63 and name CG and segid HMGD ) 1.0 180.0 60.0 2

assign ( resid 1 and name H6 ) ( resid 1 and name H5  ) 2.8 2.8 0.0  
assign ( resid 1 and name H6 ) ( resid 1 and name H1' ) 5.0 5.0 0.0 
assign ( resid 1 and name H6 ) ( resid 1 and name H2'* ) 2.8 2.8 0.0  
assign ( resid 1 and name H6 ) ( resid 1 and name H5'*) 5.0 5.0 0.0 
assign ( resid 1 and name H3') ( resid 1 and name H5'*) 5.0 5.0 0.0 

assign ( resid 2 and name H8 ) ( resid 2 and name H1' ) 5.0 5.0 0.0 
assign ( resid 2 and name H8 ) ( resid 2 and name H3' ) 5.0 5.0 0.0 
assign ( resid 2 and name H8 ) ( resid 2 and name H2'* ) 2.8 2.8 0.0
assign ( resid 2 and name H8 ) ( resid 1 and name H1' ) 5.0 5.0 0.0
assign ( resid 2 and name H8 ) ( resid 1 and name H2'* ) 3.5 3.5 0.0

assign ( resid 3 and name H8 ) ( resid 3 and name H1' ) 5.0 5.0 0.0 
assign ( resid 3 and name H8 ) ( resid 3 and name H3' ) 5.0 5.0 0.0 
assign ( resid 3 and name H8 ) ( resid 3 and name H2'* ) 2.8 2.8 0.0
assign ( resid 3 and name H8 ) ( resid 4 and name CM  ) 3.5 3.5 0.0
assign ( resid 3 and name H8 ) ( resid 2 and name H8  ) 5.0 5.0 0.0
assign ( resid 3 and name H8 ) ( resid 4 and name H6  ) 5.0 5.0 0.0
assign ( resid 3 and name H8 ) ( resid 2 and name H2'*) 3.5 3.5 0.0
assign ( resid 3 and name H2 ) ( resid 3 and name H1' ) 5.0 5.0 0.0
assign ( resid 3 and name H2 ) ( resid 4 and name H1' ) 5.0 5.0 0.0
assign ( resid 3 and name H1') ( resid 3 and name H3' ) 5.0 5.0 0.0
assign ( resid 3 and name H1') ( resid 3 and name H4' ) 3.5 3.5 0.0
assign ( resid 3 and name H1') ( resid 3 and name H5' ) 5.0 5.0 0.0
assign ( resid 3 and name H1') ( resid 3 and name H5'') 5.0 5.0 0.0
assign ( resid 3 and name H1') ( resid 3 and name H2'* ) 2.8 2.8 0.0
assign ( resid 3 and name H1') ( resid 4 and name CM  ) 5.0 5.0 0.0
assign ( resid 3 and name H3') ( resid 4 and name CM  ) 5.0 5.0 0.0
assign ( resid 3 and name H2'*) ( resid 4 and name CM  ) 3.5 3.5 0.0

assign ( resid 4 and name H6 ) ( resid 4 and name H1' ) 5.0 5.0 0.0 
assign ( resid 4 and name H6 ) ( resid 4 and name H2'* ) 3.5 3.5 0.0
assign ( resid 4 and name H6 ) ( resid 4 and name CM  ) 2.8 2.8 0.0
assign ( resid 4 and name H6 ) ( resid 3 and name H1' ) 3.5 3.5 0.0
assign ( resid 4 and name H6 ) ( resid 3 and name H2'* ) 3.5 3.5 0.0
assign ( resid 4 and name H6 ) ( resid 3 and name H3' ) 5.0 5.0 0.0
assign ( resid 4 and name H1') ( resid 4 and name H2'* ) 3.5 3.5 0.0

assign ( resid 5 and name H8 ) ( resid 5 and name H1' ) 5.0 5.0 0.0 !
assign ( resid 5 and name H8 ) ( resid 5 and name H2'* ) 2.8 2.8 0.0
assign ( resid 5 and name H8 ) ( resid 5 and name H3' ) 5.0 5.0 0.0
assign ( resid 5 and name H8 ) ( resid 4 and name H1' ) 5.0 5.0 0.0
assign ( resid 5 and name H8 ) ( resid 4 and name H6  ) 5.0 5.0 0.0
assign ( resid 5 and name H8 ) ( resid 4 and name H2'* ) 3.5 3.5 0.0
assign ( resid 5 and name H8 ) ( resid 6 and name CM  ) 3.5 3.5 0.0
assign ( resid 5 and name H2 ) ( resid 5 and name H1' ) 5.0 5.0 0.0
assign ( resid 5 and name H2 ) ( resid 6 and name H1' ) 5.0 5.0 0.0  
assign ( resid 5 and name H8 ) ( resid 4 and name H3' ) 5.0 5.0 0.0
assign ( resid 5 and name H1') ( resid 6 and name CM  ) 5.0 5.0 0.0
assign ( resid 5 and name H2'*) ( resid 6 and name CM  ) 3.5 3.5 0.0

assign ( resid 6 and name H6 ) ( resid 6 and name H1' ) 5.0 5.0 0.0
assign ( resid 6 and name H6 ) ( resid 6 and name H2'* ) 2.8 2.8 0.0
assign ( resid 6 and name H6 ) ( resid 6 and name CM  ) 2.8 2.8 0.0
assign ( resid 6 and name H6 ) ( resid 5 and name H1' ) 5.0 5.0 0.0
assign ( resid 6 and name H6 ) ( resid 5 and name H2'* ) 3.5 3.5 0.0
assign ( resid 6 and name H6 ) ( resid 5 and name H8  ) 5.0 5.0 0.0
assign ( resid 6 and name H6 ) ( resid 7 and name CM  ) 5.0 5.0 0.0
assign ( resid 6 and name H6 ) ( resid 5 and name H3' ) 5.0 5.0 0.0
assign ( resid 6 and name H1') ( resid 7 and name CM  ) 5.0 5.0 0.0

assign ( resid 7 and name H6 ) ( resid 7 and name H1' ) 5.0 5.0 0.0 
assign ( resid 7 and name H6 ) ( resid 7 and name H2'* ) 3.5 3.5 0.0
assign ( resid 7 and name H6 ) ( resid 7 and name CM  ) 2.8 2.8 0.0
assign ( resid 7 and name H6 ) ( resid 6 and name H2'*) 3.5 3.5 0.0
assign ( resid 7 and name H6 ) ( resid 8 and name H8  ) 5.0 5.0 0.0
assign ( resid 7 and name H1' ) ( resid 20 and name H2 ) 5.0 5.0 0.0 

assign ( resid 8 and name H8 ) ( resid 8 and name H1' ) 5.0 5.0 0.0 
assign ( resid 8 and name H8 ) ( resid 8 and name H2'* ) 3.5 3.5 0.0
assign ( resid 8 and name H8 ) ( resid 8 and name H3' ) 2.8 2.8 0.0
assign ( resid 8 and name H8 ) ( resid 7 and name H2'* ) 3.5 3.5 0.0
assign ( resid 8 and name H8 ) ( resid 7 and name H1' ) 5.0 5.0 0.0

assign ( resid 9 and name H8 ) ( resid 9 and name H1' ) 5.0 5.0 0.0 
assign ( resid 9 and name H8 ) ( resid 9 and name H2'* ) 2.8 2.8 0.0
assign ( resid 9 and name H8 ) ( resid 8 and name H1' ) 5.0 5.0 0.0
assign ( resid 9 and name H8 ) ( resid 8 and name H2'* ) 5.0 5.0 0.0

assign ( resid 10 and name H8 ) ( resid 10 and name H1' ) 5.0 5.0 0.0 
assign ( resid 10 and name H8 ) ( resid 10 and name H2'* ) 2.8 2.8 0.0 
assign ( resid 10 and name H8 ) ( resid 10 and name H3' ) 5.0 5.0 0.0 
assign ( resid 10 and name H8 ) ( resid 9  and name H1' ) 5.0 5.0 0.0
assign ( resid 10 and name H8 ) ( resid 9  and name H2'* ) 5.0 5.0 0.0

assign ( resid 11 and name H8 ) ( resid 11 and name H1' ) 5.0 5.0 0.0 
assign ( resid 11 and name H8 ) ( resid 11 and name H2'* ) 2.8 2.8 0.0
assign ( resid 11 and name H8 ) ( resid 11 and name H3' ) 3.5 3.5 0.0 
assign ( resid 11 and name H8 ) ( resid 10 and name H1' ) 5.0 5.0 0.0
assign ( resid 11 and name H2 ) ( resid 11 and name H1' ) 5.0 5.0 0.0
assign ( resid 11 and name H2 ) ( resid 12 and name H1' ) 5.0 5.0 0.0
assign ( resid 11 and name H8 ) ( resid 10 and name H3' ) 5.0 5.0 0.0

assign ( resid 12 and name H8 ) ( resid 12 and name H1' ) 5.0 5.0 0.0 
assign ( resid 12 and name H8 ) ( resid 12 and name H2'* ) 2.8 2.8 0.0
assign ( resid 12 and name H8 ) ( resid 12 and name H3' ) 5.0 5.0 0.0 
assign ( resid 12 and name H8 ) ( resid 11 and name H2'* ) 5.0 5.0 0.0
assign ( resid 12 and name H8 ) ( resid 11 and name H3' ) 5.0 5.0 0.0
assign ( resid 12 and name H8 ) ( resid 11 and name H8  ) 5.0 5.0 0.0
assign ( resid 12 and name H8 ) ( resid 13 and name H5  ) 5.0 5.0 0.0
assign ( resid 12 and name H1') ( resid 13 and name H5  ) 5.0 5.0 0.0

assign ( resid 13 and name H6 ) ( resid 13 and name H1' ) 5.0 5.0 0.0 
assign ( resid 13 and name H6 ) ( resid 13 and name H5  ) 2.8 2.8 0.0
assign ( resid 13 and name H6 ) ( resid 13 and name H2'* ) 5.0 5.0 0.0
assign ( resid 13 and name H6 ) ( resid 13 and name H3' ) 5.0 5.0 0.0
assign ( resid 13 and name H6 ) ( resid 12 and name H1' ) 5.0 5.0 0.0
assign ( resid 13 and name H6 ) ( resid 12 and name H2'* ) 5.0 5.0 0.0
assign ( resid 13 and name H6 ) ( resid 12 and name H3' ) 5.0 5.0 0.0
assign ( resid 13 and name H5 ) ( resid 12 and name H2'* ) 5.0 5.0 0.0
assign ( resid 13 and name H5 ) ( resid 14 and name H5  ) 5.0 5.0 0.0

assign ( resid 14 and name H6 ) ( resid 14 and name H1' ) 5.0 5.0 0.0
assign ( resid 14 and name H6 ) ( resid 14 and name H2'* ) 5.0 5.0 0.0 
assign ( resid 14 and name H6 ) ( resid 14 and name H5  ) 2.8 2.8 0.0
assign ( resid 14 and name H6 ) ( resid 14 and name H3' ) 5.0 5.0 0.0 
assign ( resid 14 and name H6 ) ( resid 13 and name H2'* ) 5.0 5.0 0.0
assign ( resid 14 and name H6 ) ( resid 13 and name H5' ) 5.0 5.0 0.0

assign ( resid 15 and name H8 ) ( resid 15 and name H1' ) 5.0 5.0 0.0 
assign ( resid 15 and name H8 ) ( resid 15 and name H2'* ) 2.8 2.8 0.0
assign ( resid 15 and name H8 ) ( resid 15 and name H5'') 3.5 3.5 0.0 
assign ( resid 15 and name H5'') ( resid 15 and name H2'*) 3.5 3.5 0.0

assign ( resid 16 and name H8 ) ( resid 16 and name H1' ) 5.0 5.0 0.0 
assign ( resid 16 and name H8 ) ( resid 16 and name H2'* ) 3.5 3.5 0.0 
assign ( resid 16 and name H8 ) ( resid 16 and name H3' ) 5.0 5.0 0.0 
assign ( resid 16 and name H8 ) ( resid 17 and name H5  ) 5.0 5.0 0.0
assign ( resid 16 and name H1') ( resid 17 and name H5  ) 5.0 5.0 0.0

assign ( resid 17 and name H6 ) ( resid 17 and name H1' ) 5.0 5.0 0.0
assign ( resid 17 and name H6 ) ( resid 17 and name H2'* ) 3.5 3.5 0.0
assign ( resid 17 and name H6 ) ( resid 17 and name H5  ) 2.8 2.8 0.0 
assign ( resid 17 and name H6 ) ( resid 16 and name H2'* ) 5.0 5.0 0.0
assign ( resid 17 and name H6 ) ( resid 18 and name CM  ) 5.0 5.0 0.0
assign ( resid 17 and name H5 ) ( resid 18 and name CM  ) 5.0 5.0 0.0
assign ( resid 17 and name H1') ( resid 17 and name H5  ) 5.0 5.0 0.0
assign ( resid 17 and name H2'*) ( resid 18 and name CM  ) 3.5 3.5 0.0

assign ( resid 18 and name H6 ) ( resid 18 and name H1' ) 5.0 5.0 0.0 !
assign ( resid 18 and name H6 ) ( resid 18 and name H2'* ) 3.5 3.5 0.0
assign ( resid 18 and name H6 ) ( resid 18 and name CM  ) 3.5 3.5 0.0
assign ( resid 18 and name H6 ) ( resid 19 and name H5  ) 5.0 5.0 0.0

assign ( resid 19 and name H6 ) ( resid 19 and name H1' ) 5.0 5.0 0.0
assign ( resid 19 and name H6 ) ( resid 19 and name H2'* ) 3.5 3.5 0.0 
assign ( resid 19 and name H6 ) ( resid 19 and name H5  ) 2.8 2.8 0.0
assign ( resid 19 and name H6 ) ( resid 18 and name H2'* ) 3.5 3.5 0.0
assign ( resid 19 and name H5 ) ( resid 18 and name H2'* ) 5.0 5.0 0.0
assign ( resid 19 and name H5 ) ( resid 18 and name CM  ) 5.0 5.0 0.0

assign ( resid 20 and name H8 ) ( resid 20 and name H1' ) 5.0 5.0 0.0
assign ( resid 20 and name H8 ) ( resid 20 and name H2'* ) 2.8 2.8 0.0
assign ( resid 20 and name H8 ) ( resid 20 and name H3' ) 5.0 5.0 0.0
assign ( resid 20 and name H8 ) ( resid 19 and name H2'* ) 5.0 5.0 0.0 
assign ( resid 20 and name H8 ) ( resid 21 and name H8  ) 5.0 5.0 0.0
assign ( resid 20 and name H8 ) ( resid 19 and name H6  ) 5.0 5.0 0.0

assign ( resid 21 and name H8 ) ( resid 21 and name H1' ) 5.0 5.0 0.0 
assign ( resid 21 and name H8 ) ( resid 21 and name H2'* ) 2.8 2.8 0.0
assign ( resid 21 and name H8 ) ( resid 21 and name H3' ) 5.0 5.0 0.0 
assign ( resid 21 and name H8 ) ( resid 21 and name H5' ) 5.0 5.0 0.0
assign ( resid 21 and name H8 ) ( resid 20 and name H1' ) 5.0 5.0 0.0
assign ( resid 21 and name H8 ) ( resid 20 and name H2'* ) 3.5 3.5 0.0
assign ( resid 21 and name H8 ) ( resid 20 and name H3' ) 2.8 2.8 0.0
assign ( resid 21 and name H8 ) ( resid 22 and name CM  ) 3.5 3.5 0.0
assign ( resid 21 and name H8 ) ( resid 22 and name H6  ) 5.0 5.0 0.0
assign ( resid 21 and name H2 ) ( resid 21 and name H1' ) 5.0 5.0 0.0
assign ( resid 21 and name H2 ) ( resid 22 and name H1' ) 5.0 5.0 0.0
assign ( resid 21 and name H2 ) ( resid 20 and name H2  ) 3.5 3.5 0.0
assign ( resid 21 and name H1') ( resid 22 and name H1' ) 5.0 5.0 0.0
assign ( resid 21 and name H1') ( resid 22 and name CM  ) 5.0 5.0 0.0
assign ( resid 21 and name H2'*) ( resid 22 and name CM  ) 3.5 3.5 0.0

assign ( resid 22 and name H6 ) ( resid 22 and name H1' ) 5.0 5.0 0.0 
assign ( resid 22 and name H6 ) ( resid 22 and name H2'* ) 3.5 3.5 0.0
assign ( resid 22 and name H6 ) ( resid 21 and name H2'*) 3.5 3.5 0.0
assign ( resid 22 and name H6 ) ( resid 22 and name CM  ) 2.8 2.8 0.0
assign ( resid 22 and name H6 ) ( resid 21 and name H3' ) 5.0 5.0 0.0

assign ( resid 23 and name H8 ) ( resid 23 and name H1' ) 5.0 5.0 0.0 
assign ( resid 23 and name H8 ) ( resid 23 and name H2'* ) 3.5 3.5 0.0
assign ( resid 23 and name H8 ) ( resid 23 and name H3' ) 5.0 5.0 0.0 
assign ( resid 23 and name H8 ) ( resid 22 and name H1' ) 5.0 5.0 0.0
assign ( resid 23 and name H8 ) ( resid 22 and name H2'*) 3.5 3.5 0.0
assign ( resid 23 and name H8 ) ( resid 22 and name H6  ) 5.0 5.0 0.0
assign ( resid 23 and name H8 ) ( resid 24 and name CM  ) 3.5 3.5 0.0
assign ( resid 23 and name H2 ) ( resid 23 and name H1' ) 5.0 5.0 0.0
assign ( resid 23 and name H2 ) ( resid 24 and name H1' ) 5.0 5.0 0.0
assign ( resid 23 and name H8 ) ( resid 22 and name H3' ) 5.0 5.0 0.0
assign ( resid 23 and name H1') ( resid 24 and name CM  ) 5.0 5.0 0.0
assign ( resid 23 and name H2'*) ( resid 24 and name CM  ) 3.5 3.5 0.0

assign ( resid 24 and name H6 ) ( resid 24 and name H1' ) 5.0 5.0 0.0
assign ( resid 24 and name H6 ) ( resid 24 and name H2'* ) 2.8 2.8 0.0
assign ( resid 24 and name H6 ) ( resid 24 and name CM  ) 3.5 3.5 0.0
assign ( resid 24 and name H6 ) ( resid 23 and name H1' ) 5.0 5.0 0.0
assign ( resid 24 and name H6 ) ( resid 23 and name H2'*) 3.5 3.5 0.0
assign ( resid 24 and name H6 ) ( resid 25 and name H5  ) 5.0 5.0 0.0
assign ( resid 24 and name H6 ) ( resid 23 and name H3' ) 5.0 5.0 0.0

assign ( resid 25 and name H6 ) ( resid 25 and name H1' ) 5.0 5.0 0.0
assign ( resid 25 and name H6 ) ( resid 25 and name H2'* ) 3.5 3.5 0.0
assign ( resid 25 and name H6 ) ( resid 25 and name H5  ) 2.8 2.8 0.0
assign ( resid 25 and name H6 ) ( resid 24 and name H1' ) 5.0 5.0 0.0
assign ( resid 25 and name H6 ) ( resid 24 and name H2'* ) 5.0 5.0 0.0
assign ( resid 25 and name H6 ) ( resid 24 and name CM  ) 5.0 5.0 0.0

assign ( resid 26 and name H8 ) ( resid 26 and name H1' ) 5.0 5.0 0.0 
assign ( resid 26 and name H8 ) ( resid 26 and name H2'* ) 2.8 2.8 0.0
assign ( resid 26 and name H8 ) ( resid 26 and name H3' ) 5.0 5.0 0.0 
assign ( resid 26 and name H8 ) ( resid 25 and name H2'* ) 5.0 5.0 0.0

assign ( resid 18 and name H3 ) ( resid 11 and name H2  ) 3.5 3.5 0.0
assign ( resid 18 and name H3 ) ( resid 10 and name H1  ) 3.5 3.5 0.0
assign ( resid 6 and name H3  ) ( resid 21 and name H2  ) 3.5 3.5 0.0
assign ( resid 24 and name H3 ) ( resid 3 and name H2  ) 3.5 3.5 0.0
assign ( resid 24 and name H3 ) ( resid 25 and name HN'') 5.0 5.0 0.0
assign ( resid 4 and name H3  ) ( resid 23 and name H2  ) 3.5 3.5 0.0
assign ( resid 22 and name H3 ) ( resid 5 and name H2  ) 3.5 3.5 0.0
assign ( resid 16 and name H1 ) ( resid 13 and name HN' ) 5.0 5.0 0.0
assign ( resid 16 and name H1 ) ( resid 13 and name HN'') 5.0 5.0 0.0
assign ( resid 12 and name H1 ) ( resid 17 and name HN' ) 5.0 5.0 0.0
assign ( resid 12 and name H1 ) ( resid 17 and name HN'') 5.0 5.0 0.0
assign ( resid 12 and name H1 ) ( resid 17 and name H5  ) 5.0 5.0 0.0
assign ( resid 12 and name H1 ) ( resid 11 and name H2  ) 5.0 5.0 0.0
assign ( resid 12 and name H1 ) ( resid 18 and name H1' ) 5.0 5.0 0.0 
assign ( resid 10 and name H1 ) ( resid 19 and name HN' ) 5.0 5.0 0.0
assign ( resid 10 and name H1 ) ( resid 19 and name HN'') 3.5 3.5 0.0
assign ( resid 10 and name H1 ) ( resid 11 and name H2  ) 5.0 5.0 0.0
assign ( resid 2 and name H1  ) ( resid 25 and name HN' ) 5.0 5.0 0.0
assign ( resid 2 and name H1  ) ( resid 25 and name HN'') 5.0 5.0 0.0
assign ( resid 2 and name H1  ) ( resid 3  and name H2  ) 5.0 5.0 0.0
assign ( resid 2 and name H1  ) ( resid 25 and name H5  ) 5.0 5.0 0.0
assign ( resid 25 and name HN') ( resid 25 and name H5 ) 3.5 3.5 0.0
assign ( resid 25 and name HN') ( resid 24 and name CM ) 5.0 5.0 0.0
assign ( resid 25 and name HN'') ( resid 24 and name CM ) 5.0 5.0 0.0
assign ( resid 13 and name HN') ( resid 13 and name H5 ) 3.5 3.5 0.0
assign ( resid 17 and name HN') ( resid 17 and name H5 ) 3.5 3.5 0.0
assign ( resid 17 and name HN'') ( resid 18 and name CM ) 5.0 5.0 0.0
assign ( resid 19 and name HN') ( resid 19 and name H5 ) 3.5 3.5 0.0
assign ( resid 25 and name HN'') ( resid 25 and name H5 ) 5.0 5.0 0.0
assign ( resid 13 and name HN'') ( resid 13 and name H5 ) 5.0 5.0 0.0
assign ( resid 17 and name HN'') ( resid 17 and name H5 ) 5.0 5.0 0.0
assign ( resid 19 and name HN'') ( resid 19 and name H5 ) 5.0 5.0 0.0
assign ( resid 25 and name HN'') ( resid 24 and name CM) 5.0 5.0 0.0
assign ( resid 25 and name HN') ( resid 24 and name CM ) 5.0 5.0 0.0
assign ( resid 19 and name HN'') ( resid 18 and name CM) 5.0 5.0 0.0
assign ( resid 19 and name HN') ( resid 18 and name CM ) 5.0 5.0 0.0
assign ( resid 4 and name H3  ) ( resid 23 and name HN'') 3.5 3.5 0.0
assign ( resid 4 and name H3  ) ( resid 23 and name HN' ) 5.0 5.0 0.0
assign ( resid 22 and name H3 ) ( resid 5 and name HN'' ) 3.5 3.5 0.0
assign ( resid 22 and name H3 ) ( resid 5 and name HN'  ) 5.0 5.0 0.0

! Base pairs (hydrogen bonds)
assign ( resid 2 and name N1 ) ( resid 25 and name N3 ) 3.0 3.0 0.0
assign ( resid 2 and name H1 ) ( resid 25 and name N3 ) 2.0 2.0 0.0
assign ( resid 2 and name N2 ) ( resid 25 and name O2 ) 3.0 3.0 0.0
assign ( resid 2 and name O6 ) ( resid 25 and name N4 ) 3.0 3.0 0.0
assign ( resid 24 and name N3 ) ( resid 3 and name N1 ) 3.0 3.0 0.0
assign ( resid 24 and name H3 ) ( resid 3 and name N1 ) 2.0 2.0 0.0
assign ( resid 24 and name O4 ) ( resid 3 and name N6 ) 3.0 3.0 0.0
assign ( resid 4 and name N3 ) ( resid 23 and name N1 ) 3.0 3.0 0.0
assign ( resid 4 and name H3 ) ( resid 23 and name N1 ) 2.0 2.0 0.0
assign ( resid 4 and name O4 ) ( resid 23 and name N6 ) 3.0 3.0 0.0
assign ( resid 22 and name N3 ) ( resid 5 and name N1 ) 3.0 3.0 0.0
assign ( resid 22 and name H3 ) ( resid 5 and name N1 ) 2.0 2.0 0.0
assign ( resid 22 and name O4 ) ( resid 5 and name N6 ) 3.0 3.0 0.0
assign ( resid 6 and name N3 ) ( resid 21 and name N1 ) 3.0 3.0 0.0
assign ( resid 6 and name H3 ) ( resid 21 and name N1 ) 2.0 2.0 0.0
assign ( resid 6 and name O4 ) ( resid 21 and name N6 ) 3.0 3.0 0.0
assign ( resid 10 and name N1 ) ( resid 19 and name N3 ) 3.0 3.0 0.0
assign ( resid 10 and name H1 ) ( resid 19 and name N3 ) 2.0 2.0 0.0
assign ( resid 10 and name N2 ) ( resid 19 and name O2 ) 3.0 3.0 0.0
assign ( resid 10 and name O6 ) ( resid 19 and name N4 ) 3.0 3.0 0.0
assign ( resid 18 and name N3 ) ( resid 11 and name N1 ) 3.0 3.0 0.0
assign ( resid 18 and name H3 ) ( resid 11 and name N1 ) 2.0 2.0 0.0
assign ( resid 18 and name O4 ) ( resid 11 and name N6 ) 3.0 3.0 0.0
assign ( resid 12 and name N1 ) ( resid 17 and name N3 ) 3.0 3.0 0.0
assign ( resid 12 and name H1 ) ( resid 17 and name N3 ) 2.0 2.0 0.0
assign ( resid 12 and name N2 ) ( resid 17 and name O2 ) 3.0 3.0 0.0
assign ( resid 12 and name O6 ) ( resid 17 and name N4 ) 3.0 3.0 0.0
assign ( resid 16 and name N1 ) ( resid 13 and name N3 ) 3.0 3.0 0.0
assign ( resid 16 and name H1 ) ( resid 13 and name N3 ) 2.0 2.0 0.0
assign ( resid 16 and name N2 ) ( resid 13 and name O2 ) 3.0 3.0 0.0
assign ( resid 16 and name O6 ) ( resid 13 and name N4 ) 3.0 3.0 0.0

assign ( resid 26 and name N1 ) ( resid 1 and name N3 ) 3.0 3.0 0.0
assign ( resid 26 and name H1 ) ( resid 1 and name N3 ) 2.0 2.0 0.0
assign ( resid 26 and name N2 ) ( resid 1 and name O2 ) 3.0 3.0 0.0
assign ( resid 26 and name O6 ) ( resid 1 and name N4 ) 3.0 3.0 0.0

assign ( resid 15 and name N1 ) ( resid 14 and name N3 ) 3.0 3.0 0.0
assign ( resid 15 and name H1 ) ( resid 14 and name N3 ) 2.0 2.0 0.0
assign ( resid 15 and name N2 ) ( resid 14 and name O2 ) 3.0 3.0 0.0
assign ( resid 15 and name O6 ) ( resid 14 and name N4 ) 3.0 3.0 0.0

assign ( resid 7  and name C4 ) ( resid 8 and name N1  ) 6.0 6.0 0.0
assign ( resid 9 and name N1  ) ( resid 10 and name N1 ) 6.0 6.0 0.0 
assign ( resid 8 and name N1  ) ( resid 9 and name N1  ) 6.0 6.0 0.0 
assign ( resid 20 and name N1 ) ( resid 21 and name N1 ) 6.0 6.0 0.0
assign ( resid 6  and name C4 ) ( resid 7 and name C4 ) 6.0 6.0 0.0
          
                   
!TABLE OF HYDROGEN BOND CONSTRAINTS FOR HMG-74    
 
                                                   
assign ( resid 16 and name HN and segid HMGD )
       ( resid 12 and name O and segid HMGD ) 2.0 2.0 0.3
assign ( resid 16 and name N and segid HMGD )
       ( resid 12 and name O and segid HMGD ) 3.0 2.5 0.3          
                   
assign ( resid 15 and name HN and segid HMGD )
       ( resid 11 and name O and segid HMGD ) 2.0 2.0 0.3
assign ( resid 15 and name N and segid HMGD )
       ( resid 11 and name O and segid HMGD ) 3.0 2.5 0.3
                            
assign ( resid 14 and name HN and segid HMGD )
       ( resid 10 and name O and segid HMGD ) 2.0 2.0 0.3
assign ( resid 14 and name N and segid HMGD )
       ( resid 10 and name O and segid HMGD ) 3.0 2.5 0.3
                           
assign ( resid 54 and name HN and segid HMGD )
       ( resid 50 and name O and segid HMGD ) 2.0 2.0 0.3
assign ( resid 54 and name N and segid HMGD )
       ( resid 50 and name O and segid HMGD ) 3.0 2.5 0.3
                            
assign ( resid 55 and name HN and segid HMGD )
       ( resid 51 and name O and segid HMGD ) 2.0 2.0 0.3
assign ( resid 55 and name N and segid HMGD )
       ( resid 51 and name O and segid HMGD ) 3.0 2.5 0.3
                            
assign ( resid 4 and name HN and segid HMGD )
       ( resid 3 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 4 and name HN and segid HMGD )
       ( resid 3 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 4 and name HN and segid HMGD )
       ( resid 4 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 4 and name HN and segid HMGD )
       ( resid 4 and name HB2 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 4 and name HN and segid HMGD )
       ( resid 4 and name HB1 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 4 and name HN and segid HMGD )
       ( resid 4 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 4 and name HN and segid HMGD )
       ( resid 70 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 6 and name HN and segid HMGD )
       ( resid 5 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 6 and name HN and segid HMGD )
       ( resid 5 and name HA and segid HMGD ) 2.3 2.3 0.0
assign ( resid 6 and name HN and segid HMGD )
       ( resid 6 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 6 and name HN and segid HMGD )
       ( resid 6 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 7 and name HN and segid HMGD )
       ( resid 6 and name HA and segid HMGD ) 2.3 2.3 0.0
assign ( resid 7 and name HN and segid HMGD )
       ( resid 7 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 7 and name HN and segid HMGD )
       ( resid 7 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 7 and name HN and segid HMGD )
       ( resid 7 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 7 and name HN and segid HMGD )
       ( resid 63 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 9 and name HN and segid HMGD )
       ( resid 8 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 9 and name HN and segid HMGD )
       ( resid 8 and name HA and segid HMGD ) 2.3 2.3 0.0
assign ( resid 9 and name HN and segid HMGD )
       ( resid 9 and name HD* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 9 and name HN and segid HMGD )
       ( resid 9 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 9 and name HN and segid HMGD )
       ( resid 9 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 9 and name HN and segid HMGD )
       ( resid 14 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 10 and name HN and segid HMGD )
       ( resid 9 and name HA and segid HMGD ) 2.3 2.3 0.0
assign ( resid 11 and name HN and segid HMGD )
       ( resid 10 and name HA and segid HMGD ) 2.3 2.3 0.0
assign ( resid 11 and name HN and segid HMGD )
       ( resid 11 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 11 and name HN and segid HMGD )
       ( resid 11 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 11 and name HN and segid HMGD )
       ( resid 12 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 12 and name HD* and segid HMGD )
       ( resid 12 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 12 and name HD* and segid HMGD )
       ( resid 12 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 12 and name HD* and segid HMGD )
       ( resid 13 and name HN and segid HMGD ) 5.0 5.0 0.0
assign ( resid 12 and name HD* and segid HMGD )
       ( resid 13 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 12 and name HD* and segid HMGD )
       ( resid 16 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 12 and name HD* and segid HMGD )
       ( resid 43 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 12 and name HD* and segid HMGD )
       ( resid 43 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 12 and name HE* and segid HMGD )
       ( resid 12 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 12 and name HE* and segid HMGD )
       ( resid 12 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 12 and name HE* and segid HMGD )
       ( resid 16 and name HD* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 12 and name HE* and segid HMGD )
       ( resid 40 and name HA* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 12 and name HE* and segid HMGD )
       ( resid 43 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 12 and name HE* and segid HMGD )
       ( resid 43 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 12 and name HN and segid HMGD )
       ( resid 12 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 12 and name HN and segid HMGD )
       ( resid 12 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 12 and name HN and segid HMGD )
       ( resid 12 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 12 and name HN and segid HMGD )
       ( resid 13 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 12 and name HN and segid HMGD )
       ( resid 43 and name HZ2 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 13 and name HN and segid HMGD )
       ( resid 10 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 13 and name HN and segid HMGD )
       ( resid 12 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 13 and name HN and segid HMGD )
       ( resid 12 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 13 and name HN and segid HMGD )
       ( resid 13 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 13 and name HN and segid HMGD )
       ( resid 13 and name HB2 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 13 and name HN and segid HMGD )
       ( resid 13 and name HB1 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 13 and name HN and segid HMGD )
       ( resid 13 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 14 and name HN and segid HMGD )
       ( resid 11 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 14 and name HN and segid HMGD )
       ( resid 13 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 14 and name HN and segid HMGD )
       ( resid 13 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 14 and name HN and segid HMGD )
       ( resid 14 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 14 and name HN and segid HMGD )
       ( resid 14 and name HG and segid HMGD ) 2.9 2.9 0.0
assign ( resid 14 and name HN and segid HMGD )
       ( resid 14 and name HD* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 14 and name HN and segid HMGD )
       ( resid 14 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 14 and name HN and segid HMGD )
       ( resid 15 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 15 and name HD1 and segid HMGD )
       ( resid 15 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HD1 and segid HMGD )
       ( resid 15 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HD1 and segid HMGD )
       ( resid 46 and name HE* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 15 and name HE1 and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HE1 and segid HMGD )
       ( resid 46 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HE3 and segid HMGD )
       ( resid 12 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HE3 and segid HMGD )
       ( resid 12 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HE3 and segid HMGD )
       ( resid 15 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 15 and name HE3 and segid HMGD )
       ( resid 16 and name HD* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 15 and name HH2 and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HH2 and segid HMGD )
       ( resid 23 and name HD* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 15 and name HH2 and segid HMGD )
       ( resid 42 and name HB2 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 15 and name HH2 and segid HMGD )
       ( resid 42 and name HB1 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 15 and name HH2 and segid HMGD )
       ( resid 42 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HN and segid HMGD )
       ( resid 14 and name HD* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 15 and name HN and segid HMGD )
       ( resid 14 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 15 and name HN and segid HMGD )
       ( resid 14 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HN and segid HMGD )
       ( resid 15 and name HB* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 15 and name HN and segid HMGD )
       ( resid 15 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 15 and name HN and segid HMGD )
       ( resid 43 and name HZ3 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HN and segid HMGD )
       ( resid 52 and name HE3 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HZ2 and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 15 and name HZ2 and segid HMGD )
       ( resid 23 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HZ2 and segid HMGD )
       ( resid 42 and name HD1* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 15 and name HZ2 and segid HMGD )
       ( resid 42 and name HB2 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HZ2 and segid HMGD )
       ( resid 42 and name HB1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HZ2 and segid HMGD )
       ( resid 42 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HZ2 and segid HMGD )
       ( resid 46 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HZ3 and segid HMGD )
       ( resid 12 and name HE* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 15 and name HZ3 and segid HMGD )
       ( resid 16 and name HG and segid HMGD ) 5.0 5.0 0.0
assign ( resid 15 and name HZ3 and segid HMGD )
       ( resid 16 and name HD* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 16 and name HN and segid HMGD )
       ( resid 13 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 16 and name HN and segid HMGD )
       ( resid 15 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 16 and name HN and segid HMGD )
       ( resid 16 and name HD* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 16 and name HN and segid HMGD )
       ( resid 16 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 16 and name HN and segid HMGD )
       ( resid 16 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 16 and name HN and segid HMGD )
       ( resid 17 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 16 and name HN and segid HMGD )
       ( resid 15 and name HZ3 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 17 and name HD21 and segid HMGD )
       ( resid 17 and name HB* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 17 and name HD22 and segid HMGD )
       ( resid 17 and name HB* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 17 and name HD21 and segid HMGD )
       ( resid 17 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 17 and name HN and segid HMGD )
       ( resid 13 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 17 and name HN and segid HMGD )
       ( resid 14 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 17 and name HN and segid HMGD )
       ( resid 16 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 17 and name HN and segid HMGD )
       ( resid 16 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 17 and name HN and segid HMGD )
       ( resid 17 and name HD21 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 17 and name HN and segid HMGD )
       ( resid 17 and name HD22 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 17 and name HN and segid HMGD )
       ( resid 17 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 17 and name HN and segid HMGD )
       ( resid 17 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 17 and name HN and segid HMGD )
       ( resid 18 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 18 and name HN and segid HMGD )
       ( resid 15 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 18 and name HN and segid HMGD )
       ( resid 17 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 18 and name HN and segid HMGD )
       ( resid 18 and name HB* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 18 and name HN and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 19 and name HN and segid HMGD )
       ( resid 18 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 19 and name HN and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 19 and name HN and segid HMGD )
       ( resid 19 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 20 and name HN and segid HMGD )
       ( resid 17 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 20 and name HN and segid HMGD )
       ( resid 19 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 20 and name HN and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 21 and name HN and segid HMGD )
       ( resid 20 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 21 and name HN and segid HMGD )
       ( resid 20 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 21 and name HN and segid HMGD )
       ( resid 20 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 21 and name HN and segid HMGD )
       ( resid 21 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 21 and name HN and segid HMGD )
       ( resid 21 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 21 and name HN and segid HMGD )
       ( resid 21 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 21 and name HN and segid HMGD )
       ( resid 22 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 22 and name HN and segid HMGD )
       ( resid 21 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 22 and name HN and segid HMGD )
       ( resid 21 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 22 and name HN and segid HMGD )
       ( resid 22 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 23 and name HN and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 23 and name HN and segid HMGD )
       ( resid 20 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 23 and name HN and segid HMGD )
       ( resid 22 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 23 and name HN and segid HMGD )
       ( resid 23 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 23 and name HN and segid HMGD )
       ( resid 23 and name HG1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 23 and name HN and segid HMGD )
       ( resid 23 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 23 and name HN and segid HMGD )
       ( resid 23 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 23 and name HN and segid HMGD )
       ( resid 24 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 24 and name HN and segid HMGD )
       ( resid 20 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 24 and name HN and segid HMGD )
       ( resid 21 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 24 and name HN and segid HMGD )
       ( resid 23 and name HG2* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 24 and name HN and segid HMGD )
       ( resid 23 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 24 and name HN and segid HMGD )
       ( resid 23 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 24 and name HN and segid HMGD )
       ( resid 24 and name HG* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 24 and name HN and segid HMGD )
       ( resid 24 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 24 and name HN and segid HMGD )
       ( resid 24 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 25 and name HN and segid HMGD )
       ( resid 22 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 25 and name HN and segid HMGD )
       ( resid 25 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 25 and name HN and segid HMGD )
       ( resid 25 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 25 and name HN and segid HMGD )
       ( resid 25 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 25 and name HN and segid HMGD )
       ( resid 25 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 25 and name HN and segid HMGD )
       ( resid 26 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 26 and name HN and segid HMGD )
       ( resid 23 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 26 and name HN and segid HMGD )
       ( resid 25 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 26 and name HN and segid HMGD )
       ( resid 26 and name HG* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 26 and name HN and segid HMGD )
       ( resid 26 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 26 and name HN and segid HMGD )
       ( resid 26 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 26 and name HN and segid HMGD )
       ( resid 27 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 27 and name HD21 and segid HMGD )
       ( resid 30 and name HG2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 27 and name HD22 and segid HMGD )
       ( resid 30 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 27 and name HD21 and segid HMGD )
       ( resid 30 and name HD* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 27 and name HD21 and segid HMGD )
       ( resid 23 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 27 and name HD22 and segid HMGD )
       ( resid 23 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 27 and name HD21 and segid HMGD )
       ( resid 27 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 27 and name HD22 and segid HMGD )
       ( resid 27 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 27 and name HD21 and segid HMGD )
       ( resid 27 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 27 and name HN and segid HMGD )
       ( resid 26 and name HB* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 27 and name HN and segid HMGD )
       ( resid 26 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 27 and name HN and segid HMGD )
       ( resid 27 and name HD21 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 27 and name HN and segid HMGD )
       ( resid 27 and name HB* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 27 and name HN and segid HMGD )
       ( resid 27 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 27 and name HN and segid HMGD )
       ( resid 28 and name HD* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 27 and name HN and segid HMGD )
       ( resid 30 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 29 and name HN and segid HMGD )
       ( resid 28 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 29 and name HN and segid HMGD )
       ( resid 29 and name HA* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 29 and name HN and segid HMGD )
       ( resid 30 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 30 and name HN and segid HMGD )
       ( resid 28 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 30 and name HN and segid HMGD )
       ( resid 30 and name HG2* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 30 and name HN and segid HMGD )
       ( resid 30 and name HG1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 30 and name HN and segid HMGD )
       ( resid 30 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 30 and name HN and segid HMGD )
       ( resid 30 and name HB and segid HMGD ) 2.3 2.3 0.0
assign ( resid 30 and name HN and segid HMGD )
       ( resid 30 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 31 and name HN and segid HMGD )
       ( resid 30 and name HN and segid HMGD ) 5.0 5.0 0.0
assign ( resid 31 and name HN and segid HMGD )
       ( resid 30 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 31 and name HN and segid HMGD )
       ( resid 30 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 31 and name HN and segid HMGD )
       ( resid 30 and name HA and segid HMGD ) 2.3 2.3 0.0
assign ( resid 31 and name HN and segid HMGD )
       ( resid 30 and name HG1* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 31 and name HN and segid HMGD )
       ( resid 31 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 31 and name HN and segid HMGD )
       ( resid 31 and name HD* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 31 and name HN and segid HMGD )
       ( resid 31 and name HB1 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 31 and name HN and segid HMGD )
       ( resid 31 and name HB2 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 31 and name HN and segid HMGD )
       ( resid 31 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 31 and name HN and segid HMGD )
       ( resid 34 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 32 and name HN and segid HMGD )
       ( resid 31 and name HB1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 32 and name HN and segid HMGD )
       ( resid 31 and name HB2 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 32 and name HN and segid HMGD )
       ( resid 31 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 32 and name HN and segid HMGD )
       ( resid 32 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 33 and name HN and segid HMGD )
       ( resid 32 and name HN and segid HMGD ) 5.0 5.0 0.0
assign ( resid 33 and name HN and segid HMGD )
       ( resid 32 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 33 and name HN and segid HMGD )
       ( resid 33 and name HG2* and segid HMGD ) 3.5 3.5 0.0 
assign ( resid 33 and name HN and segid HMGD )
       ( resid 33 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 33 and name HN and segid HMGD )
       ( resid 34 and name HN and segid HMGD ) 5.0 5.0 0.0
assign ( resid 34 and name HN and segid HMGD )
       ( resid 32 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 34 and name HN and segid HMGD )
       ( resid 33 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 34 and name HN and segid HMGD )
       ( resid 34 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 34 and name HN and segid HMGD )
       ( resid 34 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 34 and name HN and segid HMGD )
       ( resid 34 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 35 and name HN and segid HMGD )
       ( resid 30 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 35 and name HN and segid HMGD )
       ( resid 32 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 35 and name HN and segid HMGD )
       ( resid 34 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 35 and name HN and segid HMGD )
       ( resid 35 and name HG1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 35 and name HN and segid HMGD )
       ( resid 35 and name HG2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 35 and name HN and segid HMGD )
       ( resid 35 and name HB and segid HMGD ) 2.3 2.3 0.0
assign ( resid 35 and name HN and segid HMGD )
       ( resid 35 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 35 and name HN and segid HMGD )
       ( resid 36 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 36 and name HN and segid HMGD )
       ( resid 35 and name HG1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 36 and name HN and segid HMGD )
       ( resid 35 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 36 and name HN and segid HMGD )
       ( resid 35 and name HB and segid HMGD ) 3.5 3.5 0.0
assign ( resid 36 and name HN and segid HMGD )
       ( resid 35 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 36 and name HN and segid HMGD )
       ( resid 36 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 36 and name HN and segid HMGD )
       ( resid 36 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 36 and name HN and segid HMGD )
       ( resid 37 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 37 and name HN and segid HMGD )
       ( resid 34 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 37 and name HN and segid HMGD )
       ( resid 36 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 37 and name HN and segid HMGD )
       ( resid 37 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 37 and name HN and segid HMGD )
       ( resid 37 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 37 and name HN and segid HMGD )
       ( resid 37 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 37 and name HN and segid HMGD )
       ( resid 39 and name HN and segid HMGD ) 5.0 5.0 0.0
assign ( resid 38 and name HE and segid HMGD )
       ( resid 38 and name HG* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 38 and name HE and segid HMGD )
       ( resid 38 and name HD* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 38 and name HE and segid HMGD )
       ( resid 38 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 38 and name HE and segid HMGD )
       ( resid 38 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 38 and name HN and segid HMGD )
       ( resid 35 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 38 and name HN and segid HMGD )
       ( resid 36 and name HN and segid HMGD ) 5.0 5.0 0.0
assign ( resid 38 and name HN and segid HMGD )
       ( resid 36 and name HN and segid HMGD ) 5.0 5.0 0.0
assign ( resid 38 and name HN and segid HMGD )
       ( resid 37 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 38 and name HN and segid HMGD )
       ( resid 37 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 38 and name HN and segid HMGD )
       ( resid 38 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 38 and name HN and segid HMGD )
       ( resid 38 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 38 and name HN and segid HMGD )
       ( resid 38 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 38 and name HN and segid HMGD )
       ( resid 38 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 39 and name HN and segid HMGD )
       ( resid 16 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 39 and name HN and segid HMGD )
       ( resid 23 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 39 and name HN and segid HMGD )
       ( resid 35 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 39 and name HN and segid HMGD )
       ( resid 38 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 39 and name HN and segid HMGD )
       ( resid 38 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 39 and name HN and segid HMGD )
       ( resid 38 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 39 and name HN and segid HMGD )
       ( resid 39 and name HA* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 39 and name HN and segid HMGD )
       ( resid 40 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 40 and name HN and segid HMGD )
       ( resid 40 and name HA* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 40 and name HN and segid HMGD )
       ( resid 41 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 41 and name HN and segid HMGD )
       ( resid 38 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 41 and name HN and segid HMGD )
       ( resid 40 and name HA* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 41 and name HN and segid HMGD )
       ( resid 41 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 41 and name HN and segid HMGD )
       ( resid 41 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 41 and name HN and segid HMGD )
       ( resid 41 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 42 and name HN and segid HMGD )
       ( resid 41 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 42 and name HN and segid HMGD )
       ( resid 42 and name HG and segid HMGD ) 2.9 2.9 0.0
assign ( resid 42 and name HN and segid HMGD )
       ( resid 42 and name HD1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 42 and name HN and segid HMGD )
       ( resid 42 and name HD2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 42 and name HN and segid HMGD )
       ( resid 42 and name HB2 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 42 and name HN and segid HMGD )
       ( resid 42 and name HB1 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 42 and name HN and segid HMGD )
       ( resid 42 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 43 and name HD1 and segid HMGD )
       ( resid 12 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HD1 and segid HMGD )
       ( resid 12 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HD1 and segid HMGD )
       ( resid 43 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 43 and name HD1 and segid HMGD )
       ( resid 43 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HD1 and segid HMGD )
       ( resid 44 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 43 and name HE1 and segid HMGD )
       ( resid 12 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HE1 and segid HMGD )
       ( resid 12 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HE1 and segid HMGD )
       ( resid 12 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HE1 and segid HMGD )
       ( resid 43 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HE3 and segid HMGD )
       ( resid 43 and name HN and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HE3 and segid HMGD )
       ( resid 43 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 43 and name HE3 and segid HMGD )
       ( resid 43 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 43 and name HE3 and segid HMGD )
       ( resid 46 and name HE* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 43 and name HH2 and segid HMGD )
       ( resid 11 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 43 and name HH2 and segid HMGD )
       ( resid 52 and name HB* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 43 and name HH2 and segid HMGD )
       ( resid 52 and name HD1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HN and segid HMGD )
       ( resid 12 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HN and segid HMGD )
       ( resid 42 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 43 and name HN and segid HMGD )
       ( resid 42 and name HB2 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 43 and name HN and segid HMGD )
       ( resid 43 and name HD1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HN and segid HMGD )
       ( resid 43 and name HB* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 43 and name HN and segid HMGD )
       ( resid 43 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 43 and name HN and segid HMGD )
       ( resid 44 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 43 and name HZ2 and segid HMGD )
       ( resid 11 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 43 and name HZ2 and segid HMGD )
       ( resid 12 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HZ2 and segid HMGD )
       ( resid 12 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HZ2 and segid HMGD )
       ( resid 49 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 43 and name HZ2 and segid HMGD )
       ( resid 49 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HZ3 and segid HMGD )
       ( resid 11 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HZ3 and segid HMGD )
       ( resid 15 and name HB* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 43 and name HZ3 and segid HMGD )
       ( resid 43 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HZ3 and segid HMGD )
       ( resid 46 and name HE* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 44 and name HN and segid HMGD )
       ( resid 41 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 44 and name HN and segid HMGD )
       ( resid 43 and name HD1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 44 and name HN and segid HMGD )
       ( resid 43 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 44 and name HN and segid HMGD )
       ( resid 43 and name HB* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 44 and name HN and segid HMGD )
       ( resid 44 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 44 and name HN and segid HMGD )
       ( resid 45 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 45 and name HN and segid HMGD )
       ( resid 42 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 45 and name HN and segid HMGD )
       ( resid 44 and name HB* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 45 and name HN and segid HMGD )
       ( resid 44 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 45 and name HN and segid HMGD )
       ( resid 45 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 45 and name HN and segid HMGD )
       ( resid 45 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 45 and name HN and segid HMGD )
       ( resid 46 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 46 and name HN and segid HMGD )
       ( resid 43 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 46 and name HN and segid HMGD )
       ( resid 45 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 46 and name HN and segid HMGD )
       ( resid 45 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 46 and name HN and segid HMGD )
       ( resid 46 and name HB* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 46 and name HN and segid HMGD )
       ( resid 46 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 47 and name HN and segid HMGD )
       ( resid 46 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 47 and name HN and segid HMGD )
       ( resid 46 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 47 and name HN and segid HMGD )
       ( resid 47 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 47 and name HN and segid HMGD )
       ( resid 47 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 47 and name HN and segid HMGD )
       ( resid 48 and name HN and segid HMGD ) 5.0 5.0 0.0
assign ( resid 48 and name HN and segid HMGD )
       ( resid 47 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 48 and name HN and segid HMGD )
       ( resid 47 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 48 and name HN and segid HMGD )
       ( resid 48 and name HB2 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 48 and name HN and segid HMGD )
       ( resid 48 and name HB1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 49 and name HN and segid HMGD )
       ( resid 49 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 49 and name HN and segid HMGD )
       ( resid 49 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 49 and name HN and segid HMGD )
       ( resid 49 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 49 and name HN and segid HMGD )
       ( resid 50 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 50 and name HN and segid HMGD )
       ( resid 49 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 50 and name HN and segid HMGD )
       ( resid 49 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 50 and name HN and segid HMGD )
       ( resid 50 and name HB* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 50 and name HN and segid HMGD )
       ( resid 50 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 51 and name HN and segid HMGD )
       ( resid 49 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 51 and name HN and segid HMGD )
       ( resid 50 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 51 and name HN and segid HMGD )
       ( resid 50 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 51 and name HN and segid HMGD )
       ( resid 51 and name HB* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 51 and name HN and segid HMGD )
       ( resid 51 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 51 and name HN and segid HMGD )
       ( resid 52 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 51 and name HN and segid HMGD )
       ( resid 52 and name HD1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HD1 and segid HMGD )
       ( resid 14 and name HB* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 52 and name HD1 and segid HMGD )
       ( resid 15 and name HD1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HD1 and segid HMGD )
       ( resid 43 and name HZ3 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 52 and name HD1 and segid HMGD )
       ( resid 46 and name HE* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 52 and name HD1 and segid HMGD )
       ( resid 49 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HD1 and segid HMGD )
       ( resid 49 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 52 and name HD1 and segid HMGD )
       ( resid 51 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 52 and name HD1 and segid HMGD )
       ( resid 52 and name HB1* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 52 and name HD1 and segid HMGD )
       ( resid 52 and name HB2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 52 and name HD1 and segid HMGD )
       ( resid 53 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 52 and name HE1 and segid HMGD )
       ( resid 15 and name HE1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HE1 and segid HMGD )
       ( resid 15 and name HD1 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 52 and name HE1 and segid HMGD )
       ( resid 46 and name HE* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 52 and name HE1 and segid HMGD )
       ( resid 49 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HE1 and segid HMGD )
       ( resid 51 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HE1 and segid HMGD )
       ( resid 52 and name HB1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HE3 and segid HMGD )
       ( resid 14 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HE3 and segid HMGD )
       ( resid 14 and name HB* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 52 and name HE3 and segid HMGD )
       ( resid 52 and name HB2 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HE3 and segid HMGD )
       ( resid 52 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 52 and name HE3 and segid HMGD )
       ( resid 52 and name HZ3 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 52 and name HH2 and segid HMGD )
       ( resid 52 and name HZ3 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 52 and name HN and segid HMGD )
       ( resid 51 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 52 and name HN and segid HMGD )
       ( resid 51 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HN and segid HMGD )
       ( resid 52 and name HE3 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HN and segid HMGD )
       ( resid 52 and name HD1 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 52 and name HN and segid HMGD )
       ( resid 52 and name HB1 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 52 and name HN and segid HMGD )
       ( resid 52 and name HB2 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HN and segid HMGD )
       ( resid 52 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HZ2 and segid HMGD )
       ( resid 15 and name HD1 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 52 and name HZ3 and segid HMGD )
       ( resid 14 and name HD* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 52 and name HZ3 and segid HMGD )
       ( resid 14 and name HB2 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 53 and name HN and segid HMGD )
       ( resid 50 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 53 and name HN and segid HMGD )
       ( resid 52 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 53 and name HN and segid HMGD )
       ( resid 52 and name HB1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 53 and name HN and segid HMGD )
       ( resid 52 and name HB2 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 53 and name HN and segid HMGD )
       ( resid 53 and name HG* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 53 and name HN and segid HMGD )
       ( resid 53 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 53 and name HN and segid HMGD )
       ( resid 53 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 53 and name HN and segid HMGD )
       ( resid 54 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 53 and name HN and segid HMGD )
       ( resid 55 and name HN and segid HMGD ) 5.0 5.0 0.0
assign ( resid 54 and name HN and segid HMGD )
       ( resid 50 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 54 and name HN and segid HMGD )
       ( resid 53 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 54 and name HN and segid HMGD )
       ( resid 54 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 54 and name HN and segid HMGD )
       ( resid 54 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 55 and name HN and segid HMGD )
       ( resid 52 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 55 and name HN and segid HMGD )
       ( resid 54 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 55 and name HN and segid HMGD )
       ( resid 54 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 55 and name HN and segid HMGD )
       ( resid 55 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 56 and name HN and segid HMGD )
       ( resid 53 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 56 and name HN and segid HMGD )
       ( resid 55 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 56 and name HN and segid HMGD )
       ( resid 55 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 56 and name HN and segid HMGD )
       ( resid 55 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 56 and name HN and segid HMGD )
       ( resid 56 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 56 and name HN and segid HMGD )
       ( resid 56 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 56 and name HN and segid HMGD )
       ( resid 57 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 57 and name HN and segid HMGD )
       ( resid 54 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 57 and name HN and segid HMGD )
       ( resid 57 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 57 and name HN and segid HMGD )
       ( resid 57 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 57 and name HN and segid HMGD )
       ( resid 58 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 58 and name HN and segid HMGD )
       ( resid 57 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 58 and name HN and segid HMGD )
       ( resid 58 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 59 and name HN and segid HMGD )
       ( resid 56 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 59 and name HN and segid HMGD )
       ( resid 58 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 59 and name HN and segid HMGD )
       ( resid 58 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 59 and name HN and segid HMGD )
       ( resid 59 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 60 and name HN and segid HMGD )
       ( resid 57 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 60 and name HN and segid HMGD )
       ( resid 59 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 60 and name HN and segid HMGD )
       ( resid 59 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 60 and name HN and segid HMGD )
       ( resid 60 and name HB2 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 60 and name HN and segid HMGD )
       ( resid 60 and name HB1 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 60 and name HN and segid HMGD )
       ( resid 60 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 61 and name HN and segid HMGD )
       ( resid 57 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 61 and name HN and segid HMGD )
       ( resid 58 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 61 and name HN and segid HMGD )
       ( resid 60 and name HB2 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 61 and name HN and segid HMGD )
       ( resid 60 and name HB1 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 61 and name HN and segid HMGD )
       ( resid 60 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 61 and name HN and segid HMGD )
       ( resid 61 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 61 and name HN and segid HMGD )
       ( resid 61 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 62 and name HN and segid HMGD )
       ( resid 58 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 62 and name HN and segid HMGD )
       ( resid 59 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 62 and name HN and segid HMGD )
       ( resid 61 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 62 and name HN and segid HMGD )
       ( resid 61 and name HB* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 62 and name HN and segid HMGD )
       ( resid 61 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 62 and name HN and segid HMGD )
       ( resid 62 and name HB* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 62 and name HN and segid HMGD )
       ( resid 62 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 62 and name HN and segid HMGD )
       ( resid 63 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 62 and name HN and segid HMGD )
       ( resid 64 and name HN and segid HMGD ) 5.0 5.0 0.0
assign ( resid 63 and name HD* and segid HMGD )
       ( resid 5 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 63 and name HD* and segid HMGD )
       ( resid 7 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 63 and name HD* and segid HMGD )
       ( resid 8 and name HD* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 63 and name HD* and segid HMGD )
       ( resid 8 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 63 and name HD* and segid HMGD )
       ( resid 63 and name HB1 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 63 and name HD* and segid HMGD )
       ( resid 63 and name HB2 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 63 and name HD* and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 63 and name HE* and segid HMGD )
       ( resid 5 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 63 and name HE* and segid HMGD )
       ( resid 7 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 63 and name HE* and segid HMGD )
       ( resid 8 and name HG* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 63 and name HE* and segid HMGD )
       ( resid 8 and name HD* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 63 and name HE* and segid HMGD )
       ( resid 63 and name HB2 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 63 and name HE* and segid HMGD )
       ( resid 63 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 63 and name HE* and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 63 and name HE* and segid HMGD )
       ( resid 67 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 63 and name HN and segid HMGD )
       ( resid 60 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 63 and name HN and segid HMGD )
       ( resid 62 and name HB* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 63 and name HN and segid HMGD )
       ( resid 63 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 63 and name HN and segid HMGD )
       ( resid 63 and name HB1 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 63 and name HN and segid HMGD )
       ( resid 63 and name HB2 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 63 and name HN and segid HMGD )
       ( resid 63 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 64 and name HN and segid HMGD )
       ( resid 61 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 64 and name HN and segid HMGD )
       ( resid 63 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 64 and name HN and segid HMGD )
       ( resid 63 and name HD* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 64 and name HN and segid HMGD )
       ( resid 63 and name HB1 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 64 and name HN and segid HMGD )
       ( resid 63 and name HB2 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 64 and name HN and segid HMGD )
       ( resid 63 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 64 and name HN and segid HMGD )
       ( resid 64 and name HB2 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 64 and name HN and segid HMGD )
       ( resid 64 and name HB1 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 64 and name HN and segid HMGD )
       ( resid 64 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 64 and name HN and segid HMGD )
       ( resid 65 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 64 and name HN and segid HMGD )
       ( resid 65 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 65 and name HN and segid HMGD )
       ( resid 62 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 65 and name HN and segid HMGD )
       ( resid 64 and name HB2 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 65 and name HN and segid HMGD )
       ( resid 64 and name HB1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 65 and name HN and segid HMGD )
       ( resid 64 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 65 and name HN and segid HMGD )
       ( resid 65 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 65 and name HN and segid HMGD )
       ( resid 65 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 65 and name HN and segid HMGD )
       ( resid 65 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 66 and name HN and segid HMGD )
       ( resid 62 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 66 and name HN and segid HMGD )
       ( resid 63 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 66 and name HN and segid HMGD )
       ( resid 65 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 66 and name HN and segid HMGD )
       ( resid 65 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 66 and name HN and segid HMGD )
       ( resid 65 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 66 and name HN and segid HMGD )
       ( resid 66 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 66 and name HN and segid HMGD )
       ( resid 67 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 66 and name HN and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 66 and name HN and segid HMGD )
       ( resid 67 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 67 and name HN and segid HMGD )
       ( resid 66 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 67 and name HN and segid HMGD )
       ( resid 66 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 67 and name HN and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 67 and name HN and segid HMGD )
       ( resid 67 and name HG2* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 67 and name HN and segid HMGD )
       ( resid 67 and name HB and segid HMGD ) 3.5 3.5 0.0
assign ( resid 67 and name HN and segid HMGD )
       ( resid 67 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 67 and name HN and segid HMGD )
       ( resid 68 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 67 and name HN and segid HMGD )
       ( resid 69 and name HN and segid HMGD ) 5.0 5.0 0.0
assign ( resid 68 and name HN and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 68 and name HN and segid HMGD )
       ( resid 67 and name HG2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 68 and name HN and segid HMGD )
       ( resid 67 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 68 and name HN and segid HMGD )
       ( resid 67 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 68 and name HN and segid HMGD )
       ( resid 68 and name HG* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 68 and name HN and segid HMGD )
       ( resid 68 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 68 and name HN and segid HMGD )
       ( resid 68 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 69 and name HN and segid HMGD )
       ( resid 66 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 69 and name HN and segid HMGD )
       ( resid 68 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 69 and name HN and segid HMGD )
       ( resid 69 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 69 and name HN and segid HMGD )
       ( resid 69 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 69 and name HN and segid HMGD )
       ( resid 69 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 70 and name HD* and segid HMGD )
       ( resid 71 and name HG* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 70 and name HD* and segid HMGD )
       ( resid 5 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 70 and name HD* and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 70 and name HD* and segid HMGD )
       ( resid 67 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 70 and name HD* and segid HMGD )
       ( resid 67 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 70 and name HD* and segid HMGD )
       ( resid 70 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 70 and name HD* and segid HMGD )
       ( resid 70 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 70 and name HD* and segid HMGD )
       ( resid 71 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 70 and name HE* and segid HMGD )
       ( resid 4 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 70 and name HE* and segid HMGD )
       ( resid 4 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 70 and name HE* and segid HMGD )
       ( resid 4 and name HB1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 70 and name HE* and segid HMGD )
       ( resid 4 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 70 and name HE* and segid HMGD )
       ( resid 70 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 70 and name HE* and segid HMGD )
       ( resid 70 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 70 and name HN and segid HMGD )
       ( resid 67 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 70 and name HN and segid HMGD )
       ( resid 69 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 70 and name HN and segid HMGD )
       ( resid 69 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 70 and name HN and segid HMGD )
       ( resid 70 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 70 and name HN and segid HMGD )
       ( resid 70 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 70 and name HN and segid HMGD )
       ( resid 70 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 71 and name HN and segid HMGD )
       ( resid 67 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 71 and name HN and segid HMGD )
       ( resid 68 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 71 and name HN and segid HMGD )
       ( resid 70 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 71 and name HN and segid HMGD )
       ( resid 70 and name HD* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 71 and name HN and segid HMGD )
       ( resid 70 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 71 and name HN and segid HMGD )
       ( resid 70 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 71 and name HN and segid HMGD )
       ( resid 71 and name HG* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 71 and name HN and segid HMGD )
       ( resid 71 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 71 and name HN and segid HMGD )
       ( resid 71 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 71 and name HN and segid HMGD )
       ( resid 72 and name HN and segid HMGD ) 2.9 2.9 0.0
assign ( resid 71 and name HN and segid HMGD )
       ( resid 72 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 72 and name HN and segid HMGD )
       ( resid 69 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 72 and name HN and segid HMGD )
       ( resid 70 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 72 and name HN and segid HMGD )
       ( resid 71 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 72 and name HN and segid HMGD )
       ( resid 71 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 72 and name HN and segid HMGD )
       ( resid 71 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 72 and name HN and segid HMGD )
       ( resid 72 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 72 and name HN and segid HMGD )
       ( resid 72 and name HA and segid HMGD ) 2.9 2.9 0.0
assign ( resid 73 and name HD21 and segid HMGD )
       ( resid 73 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 73 and name HD22 and segid HMGD )
       ( resid 73 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 73 and name HN and segid HMGD )
       ( resid 72 and name HN and segid HMGD ) 3.5 3.5 0.0
assign ( resid 73 and name HN and segid HMGD )
       ( resid 72 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 73 and name HN and segid HMGD )
       ( resid 73 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 73 and name HN and segid HMGD )
       ( resid 73 and name HA and segid HMGD ) 3.5 3.5 0.0
assign ( resid 73 and name HN and segid HMGD )
       ( resid 74 and name HN and segid HMGD ) 5.0 5.0 0.0
                   
! Non NH Assignments 0.0      
                   
assign ( resid 4 and name HA and segid HMGD )
       ( resid 4 and name HB1 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 4 and name HA and segid HMGD )
       ( resid 4 and name HB2 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 4 and name HA and segid HMGD )
       ( resid 4 and name HG* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 4 and name HA and segid HMGD )
       ( resid 5 and name HD* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 5 and name HA and segid HMGD )
       ( resid 5 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 5 and name HA and segid HMGD )
       ( resid 5 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 5 and name HA and segid HMGD )
       ( resid 5 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 5 and name HB* and segid HMGD )
       ( resid 66 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 5 and name HD* and segid HMGD )
       ( resid 5 and name HB* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 5 and name HD* and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 5 and name HG* and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 6 and name HA and segid HMGD )
       ( resid 6 and name HB* and segid HMGD ) 2.05 2.05 0.0
assign ( resid 7 and name HA and segid HMGD )
       ( resid 7 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 7 and name HA and segid HMGD )
       ( resid 7 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 7 and name HA and segid HMGD )
       ( resid 8 and name HD* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 8 and name HA and segid HMGD )
       ( resid 7 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 8 and name HA and segid HMGD )
       ( resid 8 and name HB* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 8 and name HA and segid HMGD )
       ( resid 8 and name HD* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 8 and name HA and segid HMGD )
       ( resid 8 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 8 and name HA and segid HMGD )
       ( resid 59 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 8 and name HD* and segid HMGD )
       ( resid 8 and name HB* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 8 and name HD* and segid HMGD )
       ( resid 8 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 8 and name HD* and segid HMGD )
       ( resid 59 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 11 and name HA and segid HMGD )
       ( resid 11 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 11 and name HA and segid HMGD )
       ( resid 14 and name HD* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 13 and name HA and segid HMGD )
       ( resid 16 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 13 and name HA and segid HMGD )
       ( resid 16 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 14 and name HA and segid HMGD )
       ( resid 14 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 14 and name HA and segid HMGD )
       ( resid 14 and name HD* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 14 and name HA and segid HMGD )
       ( resid 14 and name HG and segid HMGD ) 5.0 5.0 0.0
assign ( resid 14 and name HA and segid HMGD )
       ( resid 17 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 14 and name HB* and segid HMGD )
       ( resid 14 and name HD* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 14 and name HG and segid HMGD )
       ( resid 14 and name HD* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 15 and name HA and segid HMGD )
       ( resid 15 and name HB* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 16 and name HA and segid HMGD )
       ( resid 16 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 16 and name HA and segid HMGD )
       ( resid 16 and name HG and segid HMGD ) 5.0 5.0 0.0
assign ( resid 16 and name HA and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 16 and name HD* and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 17 and name HA and segid HMGD )
       ( resid 17 and name HB* and segid HMGD ) 2.05 2.05 0.0
assign ( resid 17 and name HA and segid HMGD )
       ( resid 20 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 17 and name HA and segid HMGD )
       ( resid 20 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 17 and name HA and segid HMGD )
       ( resid 20 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 18 and name HA and segid HMGD )
       ( resid 18 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 19 and name HA and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 20 and name HA and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 20 and name HA and segid HMGD )
       ( resid 20 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 20 and name HA and segid HMGD )
       ( resid 20 and name HG* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 20 and name HA and segid HMGD )
       ( resid 23 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 20 and name HA and segid HMGD )
       ( resid 23 and name HD* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 22 and name HA and segid HMGD )
       ( resid 25 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 22 and name HA and segid HMGD )
       ( resid 25 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 23 and name HA and segid HMGD )
       ( resid 23 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 23 and name HA and segid HMGD )
       ( resid 23 and name HG1* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 23 and name HA and segid HMGD )
       ( resid 23 and name HG2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 23 and name HA and segid HMGD )
       ( resid 26 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 23 and name HB and segid HMGD )
       ( resid 23 and name HD* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 23 and name HB* and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 23 and name HD* and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 23 and name HG1* and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 23 and name HG2* and segid HMGD )
       ( resid 19 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 23 and name HG2* and segid HMGD )
       ( resid 23 and name HD* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 24 and name HA and segid HMGD )
       ( resid 23 and name HG2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 24 and name HA and segid HMGD )
       ( resid 24 and name HB* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 24 and name HA and segid HMGD )
       ( resid 24 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 24 and name HA and segid HMGD )
       ( resid 24 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 24 and name HE* and segid HMGD )
       ( resid 24 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 24 and name HE* and segid HMGD )
       ( resid 24 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 24 and name HE* and segid HMGD )
       ( resid 24 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 25 and name HD* and segid HMGD )
       ( resid 25 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 25 and name HD* and segid HMGD )
       ( resid 25 and name HG* and segid HMGD ) 2.05 2.05 0.0
assign ( resid 26 and name HA and segid HMGD )
       ( resid 26 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 26 and name HA and segid HMGD )
       ( resid 26 and name HG* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 27 and name HA and segid HMGD )
       ( resid 26 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 27 and name HA and segid HMGD )
       ( resid 28 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 27 and name HA and segid HMGD )
       ( resid 28 and name HB* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 27 and name HA and segid HMGD )
       ( resid 28 and name HD* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 27 and name HA and segid HMGD )
       ( resid 28 and name HG* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 27 and name HA and segid HMGD )
       ( resid 30 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 27 and name HA and segid HMGD )
       ( resid 30 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 27 and name HB* and segid HMGD )
       ( resid 30 and name HD* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 27 and name HB* and segid HMGD )
       ( resid 30 and name HG2* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 28 and name HA and segid HMGD )
       ( resid 28 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 28 and name HA and segid HMGD )
       ( resid 28 and name HG* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 28 and name HD* and segid HMGD )
       ( resid 27 and name HB* and segid HMGD ) 3.97 3.97 0.0
assign ( resid 28 and name HD* and segid HMGD )
       ( resid 28 and name HG* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 28 and name HD* and segid HMGD )
       ( resid 28 and name HB* and segid HMGD ) 3.97 3.97 0.0
assign ( resid 28 and name HD* and segid HMGD )
       ( resid 28 and name HG* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 30 and name HA and segid HMGD )
       ( resid 27 and name HB* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 30 and name HA and segid HMGD )
       ( resid 28 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 30 and name HA and segid HMGD )
       ( resid 30 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 30 and name HA and segid HMGD )
       ( resid 30 and name HG2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 30 and name HB* and segid HMGD )
       ( resid 30 and name HD* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 30 and name HB* and segid HMGD )
       ( resid 30 and name HG2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 30 and name HG* and segid HMGD )
       ( resid 35 and name HG1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 31 and name HA and segid HMGD )
       ( resid 31 and name HB2 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 31 and name HA and segid HMGD )
       ( resid 31 and name HB1 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 31 and name HA and segid HMGD )
       ( resid 31 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 31 and name HA and segid HMGD )
       ( resid 31 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 31 and name HA and segid HMGD )
       ( resid 31 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 31 and name HA and segid HMGD )
       ( resid 32 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 31 and name HA and segid HMGD )
       ( resid 34 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 32 and name HA and segid HMGD )
       ( resid 32 and name HB and segid HMGD ) 2.3 2.3 0.0
assign ( resid 32 and name HA and segid HMGD )
       ( resid 35 and name HB and segid HMGD ) 3.5 3.5 0.0
assign ( resid 32 and name HA and segid HMGD )
       ( resid 35 and name HG2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 32 and name HA and segid HMGD )
       ( resid 35 and name HG1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 34 and name HA and segid HMGD )
       ( resid 34 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 34 and name HA and segid HMGD )
       ( resid 37 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 35 and name HA and segid HMGD )
       ( resid 30 and name HD* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 35 and name HA and segid HMGD )
       ( resid 30 and name HG2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 35 and name HA and segid HMGD )
       ( resid 35 and name HB and segid HMGD ) 2.9 2.9 0.0
assign ( resid 35 and name HA and segid HMGD )
       ( resid 35 and name HG1* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 35 and name HA and segid HMGD )
       ( resid 35 and name HG2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 35 and name HB and segid HMGD )
       ( resid 35 and name HG2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 35 and name HB and segid HMGD )
       ( resid 35 and name HG1* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 35 and name HG2* and segid HMGD )
       ( resid 30 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 35 and name HG2* and segid HMGD )
       ( resid 30 and name HD* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 36 and name HA and segid HMGD )
       ( resid 16 and name HD* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 36 and name HA and segid HMGD )
       ( resid 35 and name HG1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 36 and name HA and segid HMGD )
       ( resid 36 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 36 and name HB* and segid HMGD )
       ( resid 16 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 37 and name HA and segid HMGD )
       ( resid 37 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 37 and name HA and segid HMGD )
       ( resid 37 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 37 and name HA and segid HMGD )
       ( resid 37 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 38 and name HA and segid HMGD )
       ( resid 38 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 38 and name HA and segid HMGD )
       ( resid 38 and name HD* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 38 and name HA and segid HMGD )
       ( resid 41 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 38 and name HA and segid HMGD )
       ( resid 41 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 40 and name HA* and segid HMGD )
       ( resid 43 and name HB* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 41 and name HA and segid HMGD )
       ( resid 41 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 41 and name HA and segid HMGD )
       ( resid 41 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 42 and name HA and segid HMGD )
       ( resid 42 and name HB2 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 42 and name HA and segid HMGD )
       ( resid 42 and name HB1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 42 and name HA and segid HMGD )
       ( resid 42 and name HD2* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 42 and name HA and segid HMGD )
       ( resid 42 and name HD1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 42 and name HA and segid HMGD )
       ( resid 42 and name HG and segid HMGD ) 2.9 2.9 0.0
assign ( resid 42 and name HB* and segid HMGD )
       ( resid 42 and name HG and segid HMGD ) 2.9 2.9 0.0
assign ( resid 42 and name HB2 and segid HMGD )
       ( resid 42 and name HD1* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 42 and name HB2 and segid HMGD )
       ( resid 42 and name HD2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 42 and name HB1 and segid HMGD )
       ( resid 42 and name HD2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 42 and name HB1 and segid HMGD )
       ( resid 42 and name HD1* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 42 and name HG and segid HMGD )
       ( resid 42 and name HD1* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 42 and name HG and segid HMGD )
       ( resid 42 and name HD2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 43 and name HA and segid HMGD )
       ( resid 43 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HA and segid HMGD )
       ( resid 46 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 43 and name HA and segid HMGD )
       ( resid 46 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 44 and name HA and segid HMGD )
       ( resid 44 and name HB* and segid HMGD ) 2.59 2.59 0.0
assign ( resid 44 and name HA and segid HMGD )
       ( resid 44 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 45 and name HA and segid HMGD )
       ( resid 45 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 46 and name HA and segid HMGD )
       ( resid 46 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 46 and name HA and segid HMGD )
       ( resid 46 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 48 and name HA and segid HMGD )
       ( resid 47 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 48 and name HA and segid HMGD )
       ( resid 48 and name HB2 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 48 and name HA and segid HMGD )
       ( resid 48 and name HB1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 49 and name HA and segid HMGD )
       ( resid 46 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 49 and name HA and segid HMGD )
       ( resid 49 and name HB* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 49 and name HA and segid HMGD )
       ( resid 49 and name HG* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 49 and name HB* and segid HMGD )
       ( resid 49 and name HG* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 50 and name HA and segid HMGD )
       ( resid 53 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 51 and name HA and segid HMGD )
       ( resid 51 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 51 and name HA and segid HMGD )
       ( resid 54 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HA and segid HMGD )
       ( resid 52 and name HB2 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 52 and name HA and segid HMGD )
       ( resid 52 and name HB1 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 52 and name HA and segid HMGD )
       ( resid 55 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 53 and name HA and segid HMGD )
       ( resid 53 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 53 and name HA and segid HMGD )
       ( resid 53 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 54 and name HA and segid HMGD )
       ( resid 54 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 54 and name HA and segid HMGD )
       ( resid 57 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 56 and name HA and segid HMGD )
       ( resid 14 and name HD* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 56 and name HA and segid HMGD )
       ( resid 56 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 57 and name HA and segid HMGD )
       ( resid 57 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 58 and name HA and segid HMGD )
       ( resid 58 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 58 and name HA and segid HMGD )
       ( resid 58 and name HE* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 58 and name HA and segid HMGD )
       ( resid 61 and name HB* and segid HMGD ) 3.12 3.12 0.0
assign ( resid 59 and name HA and segid HMGD )
       ( resid 59 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 59 and name HA and segid HMGD )
       ( resid 62 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 59 and name HA and segid HMGD )
       ( resid 62 and name HB2 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 60 and name HA and segid HMGD )
       ( resid 63 and name HB2 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 60 and name HA and segid HMGD )
       ( resid 63 and name HB1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 60 and name HA and segid HMGD )
       ( resid 60 and name HB2 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 60 and name HA and segid HMGD )
       ( resid 60 and name HB1 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 61 and name HA and segid HMGD )
       ( resid 64 and name HB2 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 61 and name HA and segid HMGD )
       ( resid 64 and name HB1 and segid HMGD ) 5.0 5.0 0.0
assign ( resid 62 and name HA and segid HMGD )
       ( resid 62 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 62 and name HA and segid HMGD )
       ( resid 65 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 62 and name HA and segid HMGD )
       ( resid 65 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 63 and name HA and segid HMGD )
       ( resid 63 and name HB2 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 63 and name HA and segid HMGD )
       ( resid 63 and name HB1 and segid HMGD ) 3.5 3.5 0.0
assign ( resid 63 and name HA and segid HMGD )
       ( resid 66 and name HB* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 63 and name HA and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 63 and name HB1 and segid HMGD )
       ( resid 8 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 63 and name HB2 and segid HMGD )
       ( resid 8 and name HD* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 64 and name HA and segid HMGD )
       ( resid 64 and name HB2 and segid HMGD ) 2.3 2.3 0.0
assign ( resid 64 and name HA and segid HMGD )
       ( resid 64 and name HB1 and segid HMGD ) 2.9 2.9 0.0
assign ( resid 64 and name HA and segid HMGD )
       ( resid 67 and name HB and segid HMGD ) 5.0 5.0 0.0
assign ( resid 64 and name HA and segid HMGD )
       ( resid 67 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 64 and name HA and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 65 and name HA and segid HMGD )
       ( resid 65 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 65 and name HD* and segid HMGD )
       ( resid 65 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 65 and name HD* and segid HMGD )
       ( resid 65 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 66 and name HA and segid HMGD )
       ( resid 66 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 66 and name HA and segid HMGD )
       ( resid 69 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 66 and name HA and segid HMGD )
       ( resid 69 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 67 and name HA and segid HMGD )
       ( resid 67 and name HB and segid HMGD ) 2.9 2.9 0.0
assign ( resid 67 and name HA and segid HMGD )
       ( resid 67 and name HG2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 67 and name HA and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 67 and name HA and segid HMGD )
       ( resid 5 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 67 and name HA and segid HMGD )
       ( resid 5 and name HG* and segid HMGD ) 3.5 3.5 0.0
assign ( resid 67 and name HA and segid HMGD )
       ( resid 70 and name HA and segid HMGD ) 5.0 5.0 0.0
assign ( resid 67 and name HA and segid HMGD )
       ( resid 70 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 67 and name HB and segid HMGD )
       ( resid 67 and name HG2* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 67 and name HB and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 68 and name HA and segid HMGD )
       ( resid 67 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 69 and name HA and segid HMGD )
       ( resid 69 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 69 and name HA and segid HMGD )
       ( resid 69 and name HG* and segid HMGD ) 4.46 4.46 0.0
assign ( resid 70 and name HA and segid HMGD )
       ( resid 70 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 70 and name HA and segid HMGD )
       ( resid 73 and name HB* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 70 and name HB* and segid HMGD )
       ( resid 67 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 70 and name HB* and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 71 and name HA and segid HMGD )
       ( resid 71 and name HB* and segid HMGD ) 2.9 2.9 0.0
assign ( resid 71 and name HA and segid HMGD )
       ( resid 71 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 71 and name HB* and segid HMGD )
       ( resid 71 and name HG* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 71 and name HG* and segid HMGD )
       ( resid 67 and name HG2* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 71 and name HG* and segid HMGD )
       ( resid 67 and name HG1* and segid HMGD ) 5.0 5.0 0.0
assign ( resid 72 and name HA and segid HMGD )
       ( resid 72 and name HB* and segid HMGD ) 2.3 2.3 0.0
assign ( resid 73 and name HA and segid HMGD )
       ( resid 72 and name HB* and segid HMGD ) 5.0 5.0 0.0
! idealdna.tbl

!backbone (loose B-form)

assign ( resid 1  and name O5' )            !gamma
       ( resid 1  and name C5' )
       ( resid 1  and name C4' )
       ( resid 1  and name C3' ) 10.0  60.0 25.0 2

assign ( resid 1  and name C5' )            !delta
       ( resid 1  and name C4' )
       ( resid 1  and name C3' )
       ( resid 1  and name O3' ) 10.0 110.0 40.0 2

assign ( resid 1  and name C4' )            !epsilon
       ( resid 1  and name C3' )
       ( resid 1  and name O3' )
       ( resid 2  and name P   ) 10.0 -170.0 40.0 2

assign ( resid 1  and name C3' )            !zeta
       ( resid 1  and name O3' )
       ( resid 2  and name P   )
       ( resid 2  and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 1  and name O3' )            !alpha
       ( resid 2  and name P   )
       ( resid 2  and name O5' )
       ( resid 2  and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 2  and name P   )            !beta
       ( resid 2  and name O5' )
       ( resid 2  and name C5' )
       ( resid 2  and name C4' ) 10.0 170.0 25.0 2

assign ( resid 2  and name O5' )            !gamma
       ( resid 2  and name C5' )
       ( resid 2  and name C4' )
       ( resid 2  and name C3' ) 10.0  60.0 25.0 2

assign ( resid 2  and name C5' )            !delta
       ( resid 2  and name C4' )
       ( resid 2  and name C3' )
       ( resid 2  and name O3' ) 10.0 110.0 40.0 2

assign ( resid 2  and name C4' )            !epsilon
       ( resid 2  and name C3' )
       ( resid 2  and name O3' )
       ( resid 3  and name P   ) 10.0 -170.0 40.0 2

assign ( resid 2  and name C3' )            !zeta
       ( resid 2  and name O3' )
       ( resid 3  and name P   )
       ( resid 3  and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 2  and name O3' )            !alpha
       ( resid 3  and name P   )
       ( resid 3  and name O5' )
       ( resid 3  and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 3  and name P   )
       ( resid 3  and name O5' )
       ( resid 3  and name C5' )
       ( resid 3  and name C4' ) 10.0 170.0 25.0 2

assign ( resid 3  and name O5' )
       ( resid 3  and name C5' )
       ( resid 3  and name C4' )
       ( resid 3  and name C3' ) 10.0  60.0 25.0 2

assign ( resid 3  and name C5' )
       ( resid 3  and name C4' )
       ( resid 3  and name C3' )
       ( resid 3  and name O3' ) 10.0 110.0 40.0 2

assign ( resid 3  and name C4' )
       ( resid 3  and name C3' )
       ( resid 3  and name O3' )
       ( resid 4  and name P   ) 10.0 -170.0 40.0 2

assign ( resid 3  and name C3' )
       ( resid 3  and name O3' )
       ( resid 4  and name P   )
       ( resid 4  and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 3  and name O3' )            !alpha
       ( resid 4  and name P   )
       ( resid 4  and name O5' )
       ( resid 4  and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 4  and name P   )
       ( resid 4  and name O5' )
       ( resid 4  and name C5' )
       ( resid 4  and name C4' ) 10.0 170.0 25.0 2

assign ( resid 4  and name O5' )
       ( resid 4  and name C5' )
       ( resid 4  and name C4' )
       ( resid 4  and name C3' ) 10.0  60.0 25.0 2

assign ( resid 4  and name C5' )
       ( resid 4  and name C4' )
       ( resid 4  and name C3' )
       ( resid 4  and name O3' ) 10.0 110.0 40.0 2

assign ( resid 4  and name C4' )
       ( resid 4  and name C3' )
       ( resid 4  and name O3' )
       ( resid 5  and name P   ) 10.0 -170.0 40.0 2

assign ( resid 4  and name C3' )
       ( resid 4  and name O3' )
       ( resid 5  and name P   )
       ( resid 5  and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 4  and name O3' )            !alpha
       ( resid 5  and name P   )
       ( resid 5  and name O5' )
       ( resid 5  and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 5  and name P   )
       ( resid 5  and name O5' )
       ( resid 5  and name C5' )
       ( resid 5  and name C4' ) 10.0 170.0 25.0 2

assign ( resid 5  and name O5' )
       ( resid 5  and name C5' )
       ( resid 5  and name C4' )
       ( resid 5  and name C3' ) 10.0  60.0 25.0 2

assign ( resid 5  and name C5' )
       ( resid 5  and name C4' )
       ( resid 5  and name C3' )
       ( resid 5  and name O3' ) 10.0 110.0 40.0 2

assign ( resid 5  and name C4' )
       ( resid 5  and name C3' )
       ( resid 5  and name O3' )
       ( resid 6  and name P   ) 10.0 -170.0 40.0 2

assign ( resid 5  and name C3' )
       ( resid 5  and name O3' )
       ( resid 6  and name P   )
       ( resid 6  and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 5  and name O3' )            !alpha
       ( resid 6  and name P   )
       ( resid 6  and name O5' )
       ( resid 6  and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 6  and name P   )
       ( resid 6  and name O5' )
       ( resid 6  and name C5' )
       ( resid 6  and name C4' ) 10.0 170.0 25.0 2

assign ( resid 6  and name O5' )
       ( resid 6  and name C5' )
       ( resid 6  and name C4' )
       ( resid 6  and name C3' ) 10.0  60.0 25.0 2

assign ( resid 6  and name C5' )
       ( resid 6  and name C4' )
       ( resid 6  and name C3' )
       ( resid 6  and name O3' ) 10.0 110.0 40.0 2

assign ( resid 6  and name C4' )
       ( resid 6  and name C3' )
       ( resid 6  and name O3' )
       ( resid 7  and name P   ) 10.0 -170.0 40.0 2

!bulge

assign ( resid 10 and name P   )
       ( resid 10 and name O5' )
       ( resid 10 and name C5' )
       ( resid 10 and name C4' ) 10.0 170.0 40.0 2

assign ( resid 10 and name O5' )
       ( resid 10 and name C5' )
       ( resid 10 and name C4' )
       ( resid 10 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 10 and name C5' )
       ( resid 10 and name C4' )
       ( resid 10 and name C3' )
       ( resid 10 and name O3' ) 10.0 110.0 40.0 2

assign ( resid 10 and name C4' )
       ( resid 10 and name C3' )
       ( resid 10 and name O3' )
       ( resid 11 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 10 and name C3' )
       ( resid 10 and name O3' )
       ( resid 11 and name P   )
       ( resid 11 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 10 and name O3' )            !alpha
       ( resid 11 and name P   )
       ( resid 11 and name O5' )
       ( resid 11 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 11 and name P   )
       ( resid 11 and name O5' )
       ( resid 11 and name C5' )
       ( resid 11 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 11 and name O5' )
       ( resid 11 and name C5' )
       ( resid 11 and name C4' )
       ( resid 11 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 11 and name C5' )
       ( resid 11 and name C4' )
       ( resid 11 and name C3' )
       ( resid 11 and name O3' ) 10.0 110.0 40.0 2

assign ( resid 11 and name C4' )
       ( resid 11 and name C3' )
       ( resid 11 and name O3' )
       ( resid 12 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 11 and name C3' )
       ( resid 11 and name O3' )
       ( resid 12 and name P   )
       ( resid 12 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 11 and name O3' )            !alpha
       ( resid 12 and name P   )
       ( resid 12 and name O5' )
       ( resid 12 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 12 and name P   )
       ( resid 12 and name O5' )
       ( resid 12 and name C5' )
       ( resid 12 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 12 and name O5' )
       ( resid 12 and name C5' )
       ( resid 12 and name C4' )
       ( resid 12 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 12 and name C5' )
       ( resid 12 and name C4' )
       ( resid 12 and name C3' )
       ( resid 12 and name O3' ) 10.0 110.0 40.0 2

assign ( resid 12 and name C4' )
       ( resid 12 and name C3' )
       ( resid 12 and name O3' )
       ( resid 13 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 12 and name C3' )
       ( resid 12 and name O3' )
       ( resid 13 and name P   )
       ( resid 13 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 12 and name O3' )            !alpha
       ( resid 13 and name P   )
       ( resid 13 and name O5' )
       ( resid 13 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 13 and name P   )
       ( resid 13 and name O5' )
       ( resid 13 and name C5' )
       ( resid 13 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 13 and name O5' )
       ( resid 13 and name C5' )
       ( resid 13 and name C4' )
       ( resid 13 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 13 and name C5' )
       ( resid 13 and name C4' )
       ( resid 13 and name C3' )
       ( resid 13 and name O3' ) 10.0 110.0 40.0 2

assign ( resid 13 and name C4' )
       ( resid 13 and name C3' )
       ( resid 13 and name O3' )
       ( resid 14 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 13 and name C3' )
       ( resid 13 and name O3' )
       ( resid 14 and name P   )
       ( resid 14 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 13 and name O3' )            !alpha
       ( resid 14 and name P   )
       ( resid 14 and name O5' )
       ( resid 14 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 14 and name P   )
       ( resid 14 and name O5' )
       ( resid 14 and name C5' )
       ( resid 14 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 14 and name O5' )
       ( resid 14 and name C5' )
       ( resid 14 and name C4' )
       ( resid 14 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 14 and name C5' )
       ( resid 14 and name C4' )
       ( resid 14 and name C3' )
       ( resid 14 and name O3' ) 10.0 110.0 40.0 2


assign ( resid 15 and name C5' )
       ( resid 15 and name C4' )
       ( resid 15 and name C3' )
       ( resid 15 and name O3' ) 10.0 110.0 40.0 2

assign ( resid 15 and name C4' )
       ( resid 15 and name C3' )
       ( resid 15 and name O3' )
       ( resid 16 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 15 and name C3' )
       ( resid 15 and name O3' )
       ( resid 16 and name P   )
       ( resid 16 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 15 and name O3' )            !alpha
       ( resid 16 and name P   )
       ( resid 16 and name O5' )
       ( resid 16 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 16 and name P   )
       ( resid 16 and name O5' )
       ( resid 16 and name C5' )
       ( resid 16 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 16 and name O5' )
       ( resid 16 and name C5' )
       ( resid 16 and name C4' )
       ( resid 16 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 16 and name C5' )
       ( resid 16 and name C4' )
       ( resid 16 and name C3' )
       ( resid 16 and name O3' ) 10.0 110.0 40.0 2

assign ( resid 16 and name C4' )
       ( resid 16 and name C3' )
       ( resid 16 and name O3' )
       ( resid 17 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 16 and name C3' )
       ( resid 16 and name O3' )
       ( resid 17 and name P   )
       ( resid 17 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 16 and name O3' )            !alpha
       ( resid 17 and name P   )
       ( resid 17 and name O5' )
       ( resid 17 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 17 and name P   )
       ( resid 17 and name O5' )
       ( resid 17 and name C5' )
       ( resid 17 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 17 and name O5' )
       ( resid 17 and name C5' )
       ( resid 17 and name C4' )
       ( resid 17 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 17 and name C5' )
       ( resid 17 and name C4' )
       ( resid 17 and name C3' )
       ( resid 17 and name O3' ) 10.0 110.0 40.0 2

assign ( resid 17 and name C4' )
       ( resid 17 and name C3' )
       ( resid 17 and name O3' )
       ( resid 18 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 17 and name C3' )
       ( resid 17 and name O3' )
       ( resid 18 and name P   )
       ( resid 18 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 17 and name O3' )            !alpha
       ( resid 18 and name P   )
       ( resid 18 and name O5' )
       ( resid 18 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 18 and name P   )
       ( resid 18 and name O5' )
       ( resid 18 and name C5' )
       ( resid 18 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 18 and name O5' )
       ( resid 18 and name C5' )
       ( resid 18 and name C4' )
       ( resid 18 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 18 and name C5' )
       ( resid 18 and name C4' )
       ( resid 18 and name C3' )
       ( resid 18 and name O3' ) 10.0 110.0 40.0 2

assign ( resid 18 and name C4' )
       ( resid 18 and name C3' )
       ( resid 18 and name O3' )
       ( resid 19 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 18 and name C3' )
       ( resid 18 and name O3' )
       ( resid 19 and name P   )
       ( resid 19 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 18 and name O3' )            !alpha
       ( resid 19 and name P   )
       ( resid 19 and name O5' )
       ( resid 19 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 19 and name P   )
       ( resid 19 and name O5' )
       ( resid 19 and name C5' )
       ( resid 19 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 19 and name O5' )
       ( resid 19 and name C5' )
       ( resid 19 and name C4' )
       ( resid 19 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 19 and name C5' )
       ( resid 19 and name C4' )
       ( resid 19 and name C3' )
       ( resid 19 and name O3' ) 10.0 110.0 40.0 2

!bulge

assign ( resid 20 and name C4' )
       ( resid 20 and name C3' )
       ( resid 20 and name O3' )
       ( resid 21 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 20 and name C3' )
       ( resid 20 and name O3' )
       ( resid 21 and name P   )
       ( resid 21 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 20 and name O3' )            !alpha
       ( resid 21 and name P   )
       ( resid 21 and name O5' )
       ( resid 21 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 21 and name P   )
       ( resid 21 and name O5' )
       ( resid 21 and name C5' )
       ( resid 21 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 21 and name O5' )
       ( resid 21 and name C5' )
       ( resid 21 and name C4' )
       ( resid 21 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 21 and name C5' )
       ( resid 21 and name C4' )
       ( resid 21 and name C3' )
       ( resid 21 and name O3' ) 10.0 110.0 40.0 2

assign ( resid 21 and name C4' )
       ( resid 21 and name C3' )
       ( resid 21 and name O3' )
       ( resid 22 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 21 and name C3' )
       ( resid 21 and name O3' )
       ( resid 22 and name P   )
       ( resid 22 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 21 and name O3' )            !alpha
       ( resid 22 and name P   )
       ( resid 22 and name O5' )
       ( resid 22 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 22 and name P   )
       ( resid 22 and name O5' )
       ( resid 22 and name C5' )
       ( resid 22 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 22 and name O5' )
       ( resid 22 and name C5' )
       ( resid 22 and name C4' )
       ( resid 22 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 22 and name C5' )
       ( resid 22 and name C4' )
       ( resid 22 and name C3' )
       ( resid 22 and name O3' ) 10.0 110.0 40.0 2

assign ( resid 22 and name C4' )
       ( resid 22 and name C3' )
       ( resid 22 and name O3' )
       ( resid 23 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 22 and name C3' )
       ( resid 22 and name O3' )
       ( resid 23 and name P   )
       ( resid 23 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 22 and name O3' )            !alpha
       ( resid 23 and name P   )
       ( resid 23 and name O5' )
       ( resid 23 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 23 and name P   )
       ( resid 23 and name O5' )
       ( resid 23 and name C5' )
       ( resid 23 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 23 and name O5' )
       ( resid 23 and name C5' )
       ( resid 23 and name C4' )
       ( resid 23 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 23 and name C5' )
       ( resid 23 and name C4' )
       ( resid 23 and name C3' )
       ( resid 23 and name O3' ) 10.0 110.0 40.0 2

assign ( resid 23 and name C4' )
       ( resid 23 and name C3' )
       ( resid 23 and name O3' )
       ( resid 24 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 23 and name C3' )
       ( resid 23 and name O3' )
       ( resid 24 and name P   )
       ( resid 24 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 23 and name O3' )            !alpha
       ( resid 24 and name P   )
       ( resid 24 and name O5' )
       ( resid 24 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 24 and name P   )
       ( resid 24 and name O5' )
       ( resid 24 and name C5' )
       ( resid 24 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 24 and name O5' )
       ( resid 24 and name C5' )
       ( resid 24 and name C4' )
       ( resid 24 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 24 and name C5' )
       ( resid 24 and name C4' )
       ( resid 24 and name C3' )
       ( resid 24 and name O3' ) 10.0 110.0 40.0 2

assign ( resid 24 and name C4' )
       ( resid 24 and name C3' )
       ( resid 24 and name O3' )
       ( resid 25 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 24 and name C3' )
       ( resid 24 and name O3' )
       ( resid 25 and name P   )
       ( resid 25 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 24 and name O3' )            !alpha
       ( resid 25 and name P   )
       ( resid 25 and name O5' )
       ( resid 25 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 25 and name P   )
       ( resid 25 and name O5' )
       ( resid 25 and name C5' )
       ( resid 25 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 25 and name O5' )
       ( resid 25 and name C5' )
       ( resid 25 and name C4' )
       ( resid 25 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 25 and name C5' )
       ( resid 25 and name C4' )
       ( resid 25 and name C3' )
       ( resid 25 and name O3' ) 10.0 110.0 40.0 2

assign ( resid 25 and name C4' )
       ( resid 25 and name C3' )
       ( resid 25 and name O3' )
       ( resid 26 and name P   ) 10.0 -170.0 40.0 2

assign ( resid 25 and name C3' )
       ( resid 25 and name O3' )
       ( resid 26 and name P   )
       ( resid 26 and name O5' ) 10.0 -110.0 50.0 2

assign ( resid 25 and name O3' )            !alpha
       ( resid 26 and name P   )
       ( resid 26 and name O5' )
       ( resid 26 and name C5' ) 10.0 -70.0 40.0 2

assign ( resid 26 and name P   )
       ( resid 26 and name O5' )
       ( resid 26 and name C5' )
       ( resid 26 and name C4' ) 10.0 170.0 25.0 2

assign ( resid 26 and name O5' )
       ( resid 26 and name C5' )
       ( resid 26 and name C4' )
       ( resid 26 and name C3' ) 10.0  60.0 25.0 2

assign ( resid 26 and name C5' )
       ( resid 26 and name C4' )
       ( resid 26 and name C3' )
       ( resid 26 and name O3' ) 10.0 110.0 40.0 2

!sugar 2' endo

assign ( resid 1  and name C4' )
       ( resid 1  and name O4' )
       ( resid 1  and name C1' )
       ( resid 1  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 1  and name O4' )
       ( resid 1  and name C1' )
       ( resid 1  and name C2' )
       ( resid 1  and name C3' ) 10.0 30.0 20.0 2

assign ( resid 1  and name C1' )
       ( resid 1  and name C2' )
       ( resid 1  and name C3' )
       ( resid 1  and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 1  and name C2' )
       ( resid 1  and name C3' )
       ( resid 1  and name C4' )
       ( resid 1  and name O4' ) 10.0 20.0 20.0 2

assign ( resid 2  and name C3' )
       ( resid 2  and name C4' )
       ( resid 2  and name O4' )
       ( resid 2  and name C1' ) 10.0 0.0 20.0 2

assign ( resid 2  and name C4' )
       ( resid 2  and name O4' )
       ( resid 2  and name C1' )
       ( resid 2  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 2  and name O4' )
       ( resid 2  and name C1' )
       ( resid 2  and name C2' )
       ( resid 2  and name C3' ) 10.0 30.0 20.0 2

assign ( resid 2  and name C1' )
       ( resid 2  and name C2' )
       ( resid 2  and name C3' )
       ( resid 2  and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 2  and name C2' )
       ( resid 2  and name C3' )
       ( resid 2  and name C4' )
       ( resid 2  and name O4' ) 10.0 20.0 20.0 2

assign ( resid 2  and name C3' )
       ( resid 2  and name C4' )
       ( resid 2  and name O4' )
       ( resid 2  and name C1' ) 10.0 0.0 20.0 2

assign ( resid 3  and name C4' )
       ( resid 3  and name O4' )
       ( resid 3  and name C1' )
       ( resid 3  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 3  and name O4' )
       ( resid 3  and name C1' )
       ( resid 3  and name C2' )
       ( resid 3  and name C3' ) 10.0 30.0 20.0 2

assign ( resid 3  and name C1' )
       ( resid 3  and name C2' )
       ( resid 3  and name C3' )
       ( resid 3  and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 3  and name C2' )
       ( resid 3  and name C3' )
       ( resid 3  and name C4' )
       ( resid 3  and name O4' ) 10.0 20.0 20.0 2

assign ( resid 3  and name C3' )
       ( resid 3  and name C4' )
       ( resid 3  and name O4' )
       ( resid 3  and name C1' ) 10.0 0.0 20.0 2

assign ( resid 4  and name C4' )
       ( resid 4  and name O4' )
       ( resid 4  and name C1' )
       ( resid 4  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 4  and name O4' )
       ( resid 4  and name C1' )
       ( resid 4  and name C2' )
       ( resid 4  and name C3' ) 10.0 30.0 20.0 2

assign ( resid 4  and name C1' )
       ( resid 4  and name C2' )
       ( resid 4  and name C3' )
       ( resid 4  and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 4  and name C2' )
       ( resid 4  and name C3' )
       ( resid 4  and name C4' )
       ( resid 4  and name O4' ) 10.0 20.0 20.0 2

assign ( resid 4  and name C3' )
       ( resid 4  and name C4' )
       ( resid 4  and name O4' )
       ( resid 4  and name C1' ) 10.0 0.0 20.0 2

assign ( resid 5  and name C4' )
       ( resid 5  and name O4' )
       ( resid 5  and name C1' )
       ( resid 5  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 5  and name O4' )
       ( resid 5  and name C1' )
       ( resid 5  and name C2' )
       ( resid 5  and name C3' ) 10.0 30.0 20.0 2

assign ( resid 5  and name C1' )
       ( resid 5  and name C2' )
       ( resid 5  and name C3' )
       ( resid 5  and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 5  and name C2' )
       ( resid 5  and name C3' )
       ( resid 5  and name C4' )
       ( resid 5  and name O4' ) 10.0 20.0 20.0 2

assign ( resid 5  and name C3' )
       ( resid 5  and name C4' )
       ( resid 5  and name O4' )
       ( resid 5  and name C1' ) 10.0 0.0 20.0 2

assign ( resid 6  and name C4' )
       ( resid 6  and name O4' )
       ( resid 6  and name C1' )
       ( resid 6  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 6  and name O4' )
       ( resid 6  and name C1' )
       ( resid 6  and name C2' )
       ( resid 6  and name C3' ) 10.0 30.0 20.0 2

assign ( resid 6  and name C1' )
       ( resid 6  and name C2' )
       ( resid 6  and name C3' )
       ( resid 6  and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 6  and name C2' )
       ( resid 6  and name C3' )
       ( resid 6  and name C4' )
       ( resid 6  and name O4' ) 10.0 20.0 20.0 2

!bulge

assign ( resid 6  and name C3' )
       ( resid 6  and name C4' )
       ( resid 6  and name O4' )
       ( resid 6  and name C1' ) 10.0 0.0 20.0 2

assign ( resid 10 and name C4' )
       ( resid 10 and name O4' )
       ( resid 10  and name C1' )
       ( resid 10  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 10 and name O4' )
       ( resid 10 and name C1' )
       ( resid 10 and name C2' )
       ( resid 10 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 10  and name C1' )
       ( resid 10 and name C2' )
       ( resid 10  and name C3' )
       ( resid 10 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 10  and name C2' )
       ( resid 10 and name C3' )
       ( resid 10  and name C4' )
       ( resid 10 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 10 and name C3' )
       ( resid 10 and name C4' )
       ( resid 10 and name O4' )
       ( resid 10 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 11 and name C4' )
       ( resid 11 and name O4' )
       ( resid 11  and name C1' )
       ( resid 11  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 11 and name O4' )
       ( resid 11 and name C1' )
       ( resid 11 and name C2' )
       ( resid 11 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 11  and name C1' )
       ( resid 11 and name C2' )
       ( resid 11  and name C3' )
       ( resid 11 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 11  and name C2' )
       ( resid 11 and name C3' )
       ( resid 11  and name C4' )
       ( resid 11 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 11 and name C3' )
       ( resid 11 and name C4' )
       ( resid 11 and name O4' )
       ( resid 11 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 12 and name C4' )
       ( resid 12 and name O4' )
       ( resid 12  and name C1' )
       ( resid 12  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 12 and name O4' )
       ( resid 12 and name C1' )
       ( resid 12 and name C2' )
       ( resid 12 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 12  and name C1' )
       ( resid 12 and name C2' )
       ( resid 12  and name C3' )
       ( resid 12 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 12  and name C2' )
       ( resid 12 and name C3' )
       ( resid 12  and name C4' )
       ( resid 12 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 12 and name C3' )
       ( resid 12 and name C4' )
       ( resid 12 and name O4' )
       ( resid 12 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 13 and name C4' )
       ( resid 13 and name O4' )
       ( resid 13  and name C1' )
       ( resid 13  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 13 and name O4' )
       ( resid 13 and name C1' )
       ( resid 13 and name C2' )
       ( resid 13 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 13  and name C1' )
       ( resid 13 and name C2' )
       ( resid 13  and name C3' )
       ( resid 13 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 13  and name C2' )
       ( resid 13 and name C3' )
       ( resid 13  and name C4' )
       ( resid 13 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 13 and name C3' )
       ( resid 13 and name C4' )
       ( resid 13 and name O4' )
       ( resid 13 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 14 and name C4' )
       ( resid 14 and name O4' )
       ( resid 14  and name C1' )
       ( resid 14  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 14 and name O4' )
       ( resid 14 and name C1' )
       ( resid 14 and name C2' )
       ( resid 14 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 14  and name C1' )
       ( resid 14 and name C2' )
       ( resid 14  and name C3' )
       ( resid 14 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 14  and name C2' )
       ( resid 14 and name C3' )
       ( resid 14  and name C4' )
       ( resid 14 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 14 and name C3' )
       ( resid 14 and name C4' )
       ( resid 14 and name O4' )
       ( resid 14 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 15 and name C4' )
       ( resid 15 and name O4' )
       ( resid 15  and name C1' )
       ( resid 15  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 15 and name O4' )
       ( resid 15 and name C1' )
       ( resid 15 and name C2' )
       ( resid 15 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 15  and name C1' )
       ( resid 15 and name C2' )
       ( resid 15  and name C3' )
       ( resid 15 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 15  and name C2' )
       ( resid 15 and name C3' )
       ( resid 15  and name C4' )
       ( resid 15 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 15 and name C3' )
       ( resid 15 and name C4' )
       ( resid 15 and name O4' )
       ( resid 15 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 16 and name C4' )
       ( resid 16 and name O4' )
       ( resid 16  and name C1' )
       ( resid 16  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 16 and name O4' )
       ( resid 16 and name C1' )
       ( resid 16 and name C2' )
       ( resid 16 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 16  and name C1' )
       ( resid 16 and name C2' )
       ( resid 16  and name C3' )
       ( resid 16 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 16  and name C2' )
       ( resid 16 and name C3' )
       ( resid 16  and name C4' )
       ( resid 16 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 16 and name C3' )
       ( resid 16 and name C4' )
       ( resid 16 and name O4' )
       ( resid 16 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 17 and name C4' )
       ( resid 17 and name O4' )
       ( resid 17  and name C1' )
       ( resid 17  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 17 and name O4' )
       ( resid 17 and name C1' )
       ( resid 17 and name C2' )
       ( resid 17 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 17  and name C1' )
       ( resid 17 and name C2' )
       ( resid 17  and name C3' )
       ( resid 17 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 17  and name C2' )
       ( resid 17 and name C3' )
       ( resid 17  and name C4' )
       ( resid 17 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 17 and name C3' )
       ( resid 17 and name C4' )
       ( resid 17 and name O4' )
       ( resid 17 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 18 and name C4' )
       ( resid 18 and name O4' )
       ( resid 18  and name C1' )
       ( resid 18  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 18 and name O4' )
       ( resid 18 and name C1' )
       ( resid 18 and name C2' )
       ( resid 18 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 18  and name C1' )
       ( resid 18 and name C2' )
       ( resid 18  and name C3' )
       ( resid 18 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 18  and name C2' )
       ( resid 18 and name C3' )
       ( resid 18  and name C4' )
       ( resid 18 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 18 and name C3' )
       ( resid 18 and name C4' )
       ( resid 18 and name O4' )
       ( resid 18 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 19 and name C4' )
       ( resid 19 and name O4' )
       ( resid 19  and name C1' )
       ( resid 19  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 19 and name O4' )
       ( resid 19 and name C1' )
       ( resid 19 and name C2' )
       ( resid 19 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 19  and name C1' )
       ( resid 19 and name C2' )
       ( resid 19  and name C3' )
       ( resid 19 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 19  and name C2' )
       ( resid 19 and name C3' )
       ( resid 19  and name C4' )
       ( resid 19 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 19 and name C3' )
       ( resid 19 and name C4' )
       ( resid 19 and name O4' )
       ( resid 19 and name C1' ) 10.0 0.0 20.0 2

!bulge

assign ( resid 21 and name C4' )
       ( resid 21 and name O4' )
       ( resid 21  and name C1' )
       ( resid 21  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 21 and name O4' )
       ( resid 21 and name C1' )
       ( resid 21 and name C2' )
       ( resid 21 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 21  and name C1' )
       ( resid 21 and name C2' )
       ( resid 21  and name C3' )
       ( resid 21 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 21  and name C2' )
       ( resid 21 and name C3' )
       ( resid 21  and name C4' )
       ( resid 21 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 21 and name C3' )
       ( resid 21 and name C4' )
       ( resid 21 and name O4' )
       ( resid 21 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 22 and name C4' )
       ( resid 22 and name O4' )
       ( resid 22  and name C1' )
       ( resid 22  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 22 and name O4' )
       ( resid 22 and name C1' )
       ( resid 22 and name C2' )
       ( resid 22 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 22  and name C1' )
       ( resid 22 and name C2' )
       ( resid 22  and name C3' )
       ( resid 22 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 22  and name C2' )
       ( resid 22 and name C3' )
       ( resid 22  and name C4' )
       ( resid 22 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 22 and name C3' )
       ( resid 22 and name C4' )
       ( resid 22 and name O4' )
       ( resid 22 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 23 and name C4' )
       ( resid 23 and name O4' )
       ( resid 23  and name C1' )
       ( resid 23  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 23 and name O4' )
       ( resid 23 and name C1' )
       ( resid 23 and name C2' )
       ( resid 23 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 23  and name C1' )
       ( resid 23 and name C2' )
       ( resid 23  and name C3' )
       ( resid 23 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 23  and name C2' )
       ( resid 23 and name C3' )
       ( resid 23  and name C4' )
       ( resid 23 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 23 and name C3' )
       ( resid 23 and name C4' )
       ( resid 23 and name O4' )
       ( resid 23 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 24 and name C4' )
       ( resid 24 and name O4' )
       ( resid 24  and name C1' )
       ( resid 24  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 24 and name O4' )
       ( resid 24 and name C1' )
       ( resid 24 and name C2' )
       ( resid 24 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 24  and name C1' )
       ( resid 24 and name C2' )
       ( resid 24  and name C3' )
       ( resid 24 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 24  and name C2' )
       ( resid 24 and name C3' )
       ( resid 24  and name C4' )
       ( resid 24 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 24 and name C3' )
       ( resid 24 and name C4' )
       ( resid 24 and name O4' )
       ( resid 24 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 25 and name C4' )
       ( resid 25 and name O4' )
       ( resid 25  and name C1' )
       ( resid 25  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 25 and name O4' )
       ( resid 25 and name C1' )
       ( resid 25 and name C2' )
       ( resid 25 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 25  and name C1' )
       ( resid 25 and name C2' )
       ( resid 25  and name C3' )
       ( resid 25 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 25  and name C2' )
       ( resid 25 and name C3' )
       ( resid 25  and name C4' )
       ( resid 25 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 25 and name C3' )
       ( resid 25 and name C4' )
       ( resid 25 and name O4' )
       ( resid 25 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 26 and name C4' )
       ( resid 26 and name O4' )
       ( resid 26  and name C1' )
       ( resid 26  and name C2' ) 10.0 -20.0 20.0 2

assign ( resid 26 and name O4' )
       ( resid 26 and name C1' )
       ( resid 26 and name C2' )
       ( resid 26 and name C3' ) 10.0 30.0 20.0 2

assign ( resid 26  and name C1' )
       ( resid 26 and name C2' )
       ( resid 26  and name C3' )
       ( resid 26 and name C4' ) 10.0 -30.0 20.0 2

assign ( resid 26  and name C2' )
       ( resid 26 and name C3' )
       ( resid 26  and name C4' )
       ( resid 26 and name O4' ) 10.0 20.0 20.0 2

assign ( resid 26 and name C3' )
       ( resid 26 and name C4' )
       ( resid 26 and name O4' )
       ( resid 26 and name C1' ) 10.0 0.0 20.0 2

assign ( resid 33 and name HG2* and segid HMGD )
       ( resid 6  and name H1'                 ) 4.0 4.0 0.0

assign ( resid 33 and name HG2* and segid HMGD )
       ( resid 7  and name H1'                 ) 5.0 5.0 0.0

assign ( resid 33 and name HG2* and segid HMGD )
       ( resid 21 and name H1'                 ) 6.0 6.0 0.0

assign ( resid 33 and name HG2* and segid HMGD )
       ( resid 20 and name H1'                 ) 6.0 6.0 0.0
       
assign ( resid 33 and name HG2* and segid HMGD )
       ( resid 21 and name H2                  ) 6.0 6.0 0.0
       
assign ( resid 13  and name SD and segid HMGD )
       ( resid  5  and name N9                )  7.0 7.0 0.0 
       
assign ( resid 13  and name SD and segid HMGD )
       ( resid 22  and name N1                )  7.0 7.0 0.0 

assign ( resid 13  and name SD and segid HMGD )
      (( resid  4  and name N1) or
       ( resid  6  and name N1))                 7.0 7.0 0.0 

assign ( resid 13  and name SD and segid HMGD )
      (( resid 23  and name N9) or
       ( resid 21  and name N9))                 7.0 7.0 0.0 

assign ( resid 10  and name HB* and segid HMGD )
       ( resid  4  and name H4'                )  5.0 5.0 0.0 
assign ( resid 6 and name HN and segid HMGD )
       ( resid 7 and name HN and segid HMGD ) 3.3 0.0 100.0
assign ( resid 9 and name HN and segid HMGD )
       ( resid 10 and name HN and segid HMGD ) 3.3 0.0 100.0
assign ( resid 10 and name HN and segid HMGD )
       ( resid 11 and name HN and segid HMGD ) 3.3 0.0 100.0
assign ( resid 31 and name HN and segid HMGD )
       ( resid 32 and name HN and segid HMGD ) 3.3 0.0 100.0
assign ( resid 46 and name HN and segid HMGD )
       ( resid 47 and name HN and segid HMGD ) 3.3 0.0 100.0
assign ( resid 48 and name HN and segid HMGD )
       ( resid 49 and name HN and segid HMGD ) 3.3 0.0 100.0
assign ( resid 2  and name P ) ( resid 4  and name P ) 10.5 0.0 20.0
assign ( resid 3  and name P ) ( resid 5  and name P ) 10.5 0.0 20.0
assign ( resid 4  and name P ) ( resid 6  and name P ) 10.5 0.0 20.0
assign ( resid 5  and name P ) ( resid 7  and name P ) 10.5 0.0 20.0

assign ( resid 10 and name P ) ( resid 12 and name P ) 10.5 0.0 20.0
assign ( resid 11 and name P ) ( resid 13 and name P ) 10.5 0.0 20.0
assign ( resid 12 and name P ) ( resid 14 and name P ) 10.5 0.0 20.0

assign ( resid 16 and name P ) ( resid 18 and name P ) 10.5 0.0 20.0
assign ( resid 17 and name P ) ( resid 19 and name P ) 10.5 0.0 20.0

assign ( resid 20 and name P ) ( resid 22 and name P ) 10.5 0.0 20.0
assign ( resid 21 and name P ) ( resid 23 and name P ) 10.5 0.0 20.0
assign ( resid 22 and name P ) ( resid 24 and name P ) 10.5 0.0 20.0
assign ( resid 23 and name P ) ( resid 25 and name P ) 10.5 0.0 20.0
assign ( resid 24 and name P ) ( resid 26 and name P ) 10.5 0.0 20.0

assign ( resid 3  and name P ) ( resid 18 and name P ) 9.0  0.0 50.0
assign ( resid 3  and name P ) ( resid 19 and name P ) 9.0  0.0 50.0
assign ( resid 3  and name P ) ( resid 20 and name P ) 9.0  0.0 50.0

assign ( resid 4  and name P ) ( resid 18 and name P ) 9.0  0.0 50.0
assign ( resid 4  and name P ) ( resid 19 and name P ) 9.0  0.0 50.0
assign ( resid 4  and name P ) ( resid 20 and name P ) 9.0  0.0 50.0
!_______________________ PLANARITY CONSTRAINTS ______________________
! the PLAN energy term must be activated in the main script.


!---------------------------- C1 G26 --------------------------------
group
selection=(
                ( name O6 and resid 26)
                or (( name HN'' or name N4) and resid 1)
                or( (name H1 or name N1) and resid 26)
                or ( name N3 and resid 1)
                or( (name HN'' or name N2) and resid 26)
                or ( name O2 and resid 1)
          )
weight=200
end

!---------------------------- G2 C25 --------------------------------
group
selection=(
                ( name O6 and resid 2)
                or (( name HN'' or name N4) and resid 25)
                or( (name H1 or name N1) and resid 2)
                or ( name N3 and resid 25)
                or( (name HN'' or name N2) and resid 2)
                or ( name O2 and resid 25)
	  )
weight=200
end

!---------------------------- A3 T24 --------------------------------
group
selection=(
		( name N1 and resid 3)
		or (( name H3 or name N3) and resid 24)
	  	or((name HN' or name N6) and resid 3) 
		or (name O4 and resid 24)
	  )
weight=200
end

!---------------------------- T4 A23 --------------------------------
group
selection=(
		( name N1 and resid 23)
		or (( name H3 or name N3) and resid 4)
	  	or((name HN' or name N6) and resid 23) 
		or (name O4 and resid 4)
	  )
weight=200
end

!---------------------------- A5 T22 --------------------------------
group
selection=(
		( name N1 and resid 5)
		or (( name H3 or name N3) and resid 22)
	  	or((name HN' or name N6) and resid 5) 
		or (name O4 and resid 22)
	  )
weight=200
end

!---------------------------- T6 A21 --------------------------------
group
selection=(
		( name N1 and resid 21)
		or (( name H3 or name N3) and resid 6)
	  	or((name HN' or name N6) and resid 21) 
		or (name O4 and resid 6)
	  )
weight=200
end

!---------------------------- G10 C19 --------------------------------
group
selection=(
                ( name O6 and resid 10)
                or (( name HN'' or name N4) and resid 19)
                or( (name H1 or name N1) and resid 10)
                or ( name N3 and resid 19)
                or( (name HN'' or name N2) and resid 10)
                or ( name O2 and resid 19)
          )
weight=200
end

!---------------------------- A11 T18 --------------------------------
group
selection=(
                 ( name N1 and resid 11)
                or (( name H3 or name N3) and resid 18)
                or((name HN' or name N6) and resid 11)
                or (name O4 and resid 18)
          )
weight=200
end

!---------------------------- G12 C17 --------------------------------
group
selection=(
                ( name O6 and resid 12)
                or (( name HN'' or name N4) and resid 17)
                or( (name H1 or name N1) and resid 12)
                or ( name N3 and resid 17)
                or( (name HN'' or name N2) and resid 12)
                or ( name O2 and resid 17)
          )
weight=200
end

!---------------------------- C13 G16 --------------------------------
group
selection=(
                ( name O6 and resid 16)
                or (( name HN'' or name N4) and resid 13)
                or( (name H1 or name N1) and resid 16)
                or ( name N3 and resid 13)
                or( (name HN'' or name N2) and resid 16)
                or ( name O2 and resid 13)
          )
weight=200
end

!---------------------------- C14 G15 --------------------------------
group
selection=(
                ( name O6 and resid 15)
                or (( name HN'' or name N4) and resid 14)
                or( (name H1 or name N1) and resid 15)
                or ( name N3 and resid 14)
                or( (name HN'' or name N2) and resid 15)
                or ( name O2 and resid 14)
          )
weight=200
end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1 -26.132   5.682  13.615
    2    H2   MET   1           H2       MET   1 -25.296   5.256  15.024
    3    H3   MET   1           H3       MET   1 -26.895   4.712  14.788
    4    HA   MET   1           HA       MET   1 -27.682   6.974  14.837
    5   1HB   MET   1          1HB       MET   1 -25.967   6.189  17.285
    6   2HB   MET   1          2HB       MET   1 -27.240   7.469  17.291
    7   1HG   MET   1          1HG       MET   1 -28.951   5.770  16.653
    8   2HG   MET   1          2HG       MET   1 -27.708   4.481  16.749
    9   1HE   MET   1          1HE       MET   1 -30.538   4.604  18.219
   10   2HE   MET   1          2HE       MET   1 -29.401   3.213  18.307
   11   3HE   MET   1          3HE       MET   1 -30.109   3.893  19.812
   12    H    SER   2           H        SER   2 -25.318   8.142  16.984
   13    HA   SER   2           HA       SER   2 -24.273   9.960  14.957
   14   1HB   SER   2          1HB       SER   2 -25.240  10.912  17.091
   15   2HB   SER   2          2HB       SER   2 -23.988  10.029  18.033
   16    HG   SER   2           HG       SER   2 -22.442  11.260  17.054
   17    H    ASP   3           H        ASP   3 -23.042   8.223  13.928
   18    HA   ASP   3           HA       ASP   3 -20.469   7.817  15.090
   19   1HB   ASP   3          1HB       ASP   3 -20.623   5.237  14.662
   20   2HB   ASP   3          2HB       ASP   3 -21.381   5.869  16.155
   21    H    LYS   4           H        LYS   4 -19.244   6.369  13.293
   22    HA   LYS   4           HA       LYS   4 -20.311   6.856  10.666
   23   1HB   LYS   4          1HB       LYS   4 -19.072   9.003  11.244
   24   2HB   LYS   4          2HB       LYS   4 -17.614   8.031  11.622
   25   1HG   LYS   4          1HG       LYS   4 -17.550   7.257   9.219
   26   2HG   LYS   4          2HG       LYS   4 -19.001   8.263   8.875
   27   1HD   LYS   4          1HD       LYS   4 -17.711  10.324   9.427
   28   2HD   LYS   4          2HD       LYS   4 -16.308   9.329   9.946
   29   1HE   LYS   4          1HE       LYS   4 -15.919  10.263   7.666
   30   2HE   LYS   4          2HE       LYS   4 -16.012   8.456   7.618
   31   1HZ   LYS   4          1HZ       LYS   4 -18.298   8.653   6.897
   32   2HZ   LYS   4          2HZ       LYS   4 -18.199  10.348   6.924
   33   3HZ   LYS   4          3HZ       LYS   4 -17.242   9.458   5.840
   34    HA   PRO   5           HA       PRO   5 -17.914   3.033  10.840
   35   1HB   PRO   5          1HB       PRO   5 -17.905   2.257   8.144
   36   2HB   PRO   5          2HB       PRO   5 -19.369   2.182   9.195
   37   1HG   PRO   5          1HG       PRO   5 -18.599   4.425   7.256
   38   2HG   PRO   5          2HG       PRO   5 -20.183   3.547   7.383
   39   1HD   PRO   5          1HD       PRO   5 -19.760   5.977   8.627
   40   2HD   PRO   5          2HD       PRO   5 -20.732   4.673   9.449
   41    H    LYS   6           H        LYS   6 -15.808   2.083   9.976
   42    HA   LYS   6           HA       LYS   6 -13.984   4.269   9.259
   43   1HB   LYS   6          1HB       LYS   6 -13.331   1.514  10.445
   44   2HB   LYS   6          2HB       LYS   6 -12.171   2.845  10.095
   45   1HG   LYS   6          1HG       LYS   6 -13.498   4.305  11.749
   46   2HG   LYS   6          2HG       LYS   6 -14.469   2.848  12.150
   47   1HD   LYS   6          1HD       LYS   6 -12.848   3.048  13.863
   48   2HD   LYS   6          2HD       LYS   6 -12.298   1.678  12.832
   49   1HE   LYS   6          1HE       LYS   6 -10.587   3.188  11.748
   50   2HE   LYS   6          2HE       LYS   6 -11.211   4.588  12.713
   51   1HZ   LYS   6          1HZ       LYS   6 -10.575   3.421  14.713
   52   2HZ   LYS   6          2HZ       LYS   6  -9.979   2.112  13.809
   53   3HZ   LYS   6          3HZ       LYS   6  -9.250   3.640  13.676
   54    H    ARG   7           H        ARG   7 -12.342   3.785   7.644
   55    HA   ARG   7           HA       ARG   7 -13.604   2.513   5.432
   56   1HB   ARG   7          1HB       ARG   7 -10.922   3.989   5.698
   57   2HB   ARG   7          2HB       ARG   7 -11.663   3.482   4.144
   58   1HG   ARG   7          1HG       ARG   7 -13.650   4.944   4.639
   59   2HG   ARG   7          2HG       ARG   7 -12.829   5.516   6.136
   60   1HD   ARG   7          1HD       ARG   7 -10.906   6.385   4.755
   61   2HD   ARG   7          2HD       ARG   7 -11.736   5.854   3.244
   62    HE   ARG   7           HE       ARG   7 -12.383   8.180   4.961
   63   1HH1  ARG   7          1HH1      ARG   7 -13.635   5.971   2.429
   64   2HH1  ARG   7          2HH1      ARG   7 -14.798   7.094   1.829
   65   1HH2  ARG   7          1HH2      ARG   7 -13.951   9.693   4.121
   66   2HH2  ARG   7          2HH2      ARG   7 -14.975   9.252   2.806
   67    HA   PRO   8           HA       PRO   8 -11.334  -1.204   5.841
   68   1HB   PRO   8          1HB       PRO   8 -11.291  -2.278   3.305
   69   2HB   PRO   8          2HB       PRO   8 -12.821  -1.984   4.218
   70   1HG   PRO   8          1HG       PRO   8 -11.571  -0.205   2.064
   71   2HG   PRO   8          2HG       PRO   8 -13.294  -0.745   2.219
   72   1HD   PRO   8          1HD       PRO   8 -12.339   1.720   3.143
   73   2HD   PRO   8          2HD       PRO   8 -13.713   0.842   3.953
   74    H    LEU   9           H        LEU   9  -9.189  -0.724   6.585
   75    HA   LEU   9           HA       LEU   9  -7.213   0.144   4.691
   76   1HB   LEU   9          1HB       LEU   9  -6.785  -0.879   7.562
   77   2HB   LEU   9          2HB       LEU   9  -5.575  -0.078   6.510
   78    HG   LEU   9           HG       LEU   9  -7.523   1.836   6.469
   79   1HD1  LEU   9          1HD1      LEU   9  -9.011   0.587   8.088
   80   2HD1  LEU   9          2HD1      LEU   9  -7.705   0.667   9.323
   81   3HD1  LEU   9          3HD1      LEU   9  -8.472   2.183   8.722
   82   1HD2  LEU   9          1HD2      LEU   9  -5.113   2.182   6.959
   83   2HD2  LEU   9          2HD2      LEU   9  -6.157   3.084   8.119
   84   3HD2  LEU   9          3HD2      LEU   9  -5.347   1.557   8.633
   85    H    SER  10           H        SER  10  -5.211  -1.114   4.273
   86    HA   SER  10           HA       SER  10  -5.790  -3.946   3.935
   87   1HB   SER  10          1HB       SER  10  -4.872  -2.536   2.003
   88   2HB   SER  10          2HB       SER  10  -3.349  -2.344   2.940
   89    HG   SER  10           HG       SER  10  -3.370  -4.057   1.396
   90    H    ALA  11           H        ALA  11  -3.819  -5.421   4.461
   91    HA   ALA  11           HA       ALA  11  -3.424  -5.206   7.238
   92   1HB   ALA  11          1HB       ALA  11  -3.724  -7.393   6.071
   93   2HB   ALA  11          2HB       ALA  11  -2.174  -7.364   6.976
   94   3HB   ALA  11          3HB       ALA  11  -2.179  -7.138   5.187
   95    H    TYR  12           H        TYR  12  -1.313  -4.789   4.373
   96    HA   TYR  12           HA       TYR  12   1.075  -4.435   5.810
   97   1HB   TYR  12          1HB       TYR  12   1.009  -5.064   3.370
   98   2HB   TYR  12          2HB       TYR  12   0.249  -3.478   2.987
   99    HD1  TYR  12           HD1      TYR  12   3.209  -4.321   5.249
  100    HD2  TYR  12           HD2      TYR  12   1.822  -2.361   1.675
  101    HE1  TYR  12           HE1      TYR  12   5.441  -3.357   4.912
  102    HE2  TYR  12           HE2      TYR  12   4.065  -1.403   1.337
  103    HH   TYR  12           HH       TYR  12   6.241  -1.378   2.048
  104    H    MET  13           H        MET  13  -1.588  -2.312   4.812
  105    HA   MET  13           HA       MET  13  -0.237   0.108   5.091
  106   1HB   MET  13          1HB       MET  13  -2.488  -0.563   3.848
  107   2HB   MET  13          2HB       MET  13  -3.270  -0.181   5.405
  108   1HG   MET  13          1HG       MET  13  -3.391   1.774   4.009
  109   2HG   MET  13          2HG       MET  13  -2.190   2.130   5.287
  110   1HE   MET  13          1HE       MET  13  -2.994   1.600   1.517
  111   2HE   MET  13          2HE       MET  13  -1.401   1.369   0.726
  112   3HE   MET  13          3HE       MET  13  -2.070   0.078   1.775
  113    H    LEU  14           H        LEU  14  -2.181  -1.864   7.343
  114    HA   LEU  14           HA       LEU  14  -2.411   0.028   9.409
  115   1HB   LEU  14          1HB       LEU  14  -2.448  -3.044   9.356
  116   2HB   LEU  14          2HB       LEU  14  -2.769  -2.106  10.854
  117    HG   LEU  14           HG       LEU  14  -4.423  -1.662   8.324
  118   1HD1  LEU  14          1HD1      LEU  14  -4.542  -4.093   8.859
  119   2HD1  LEU  14          2HD1      LEU  14  -5.009  -3.707  10.557
  120   3HD1  LEU  14          3HD1      LEU  14  -6.105  -3.265   9.193
  121   1HD2  LEU  14          1HD2      LEU  14  -4.588   0.082  10.108
  122   2HD2  LEU  14          2HD2      LEU  14  -6.127  -0.843   9.952
  123   3HD2  LEU  14          3HD2      LEU  14  -5.005  -1.186  11.319
  124    H    TRP  15           H        TRP  15   0.058  -2.420   8.557
  125    HA   TRP  15           HA       TRP  15   1.467  -2.220  10.994
  126   1HB   TRP  15          1HB       TRP  15   1.588  -4.238   9.608
  127   2HB   TRP  15          2HB       TRP  15   2.314  -3.304   8.256
  128    HD1  TRP  15           HD1      TRP  15   3.293  -4.579  11.874
  129    HE1  TRP  15           HE1      TRP  15   5.841  -4.452  12.086
  130    HE3  TRP  15           HE3      TRP  15   4.301  -2.361   7.393
  131    HZ2  TRP  15           HZ2      TRP  15   8.028  -3.400  10.566
  132    HZ3  TRP  15           HZ3      TRP  15   6.622  -1.725   6.866
  133    HH2  TRP  15           HH2      TRP  15   8.459  -2.215   8.439
  134    H    LEU  16           H        LEU  16   1.664  -0.522   7.828
  135    HA   LEU  16           HA       LEU  16   4.145   0.696   8.253
  136   1HB   LEU  16          1HB       LEU  16   1.706   1.539   6.588
  137   2HB   LEU  16          2HB       LEU  16   3.234   2.479   6.580
  138    HG   LEU  16           HG       LEU  16   3.087  -0.478   5.781
  139   1HD1  LEU  16          1HD1      LEU  16   1.673   0.890   4.249
  140   2HD1  LEU  16          2HD1      LEU  16   3.042   2.034   3.986
  141   3HD1  LEU  16          3HD1      LEU  16   3.169   0.329   3.419
  142   1HD2  LEU  16          1HD2      LEU  16   5.365   0.290   6.489
  143   2HD2  LEU  16          2HD2      LEU  16   5.297  -0.035   4.722
  144   3HD2  LEU  16          3HD2      LEU  16   5.252   1.660   5.320
  145    H    ASN  17           H        ASN  17   0.830   1.632   9.213
  146    HA   ASN  17           HA       ASN  17   1.546   4.279   9.938
  147   1HB   ASN  17          1HB       ASN  17  -0.901   2.557  10.688
  148   2HB   ASN  17          2HB       ASN  17  -0.739   4.316  11.064
  149   2HD2  ASN  17          2HD2      ASN  17  -2.757   2.930   9.332
  150   1HD2  ASN  17          1HD2      ASN  17  -2.643   3.696   7.780
  151    H    SER  18           H        SER  18   1.298   1.167  11.706
  152    HA   SER  18           HA       SER  18   1.441   2.434  14.257
  153   1HB   SER  18          1HB       SER  18   1.667   0.051  15.131
  154   2HB   SER  18          2HB       SER  18   0.182   0.392  14.175
  155    HG   SER  18           HG       SER  18   0.924  -0.728  12.531
  156    H    ALA  19           H        ALA  19   3.774   0.813  12.060
  157    HA   ALA  19           HA       ALA  19   5.863   0.863  14.027
  158   1HB   ALA  19          1HB       ALA  19   5.698  -0.979  12.330
  159   2HB   ALA  19          2HB       ALA  19   5.944   0.223  11.015
  160   3HB   ALA  19          3HB       ALA  19   7.265  -0.105  12.201
  161    H    ARG  20           H        ARG  20   4.499   3.285  12.186
  162    HA   ARG  20           HA       ARG  20   6.439   4.340  10.640
  163   1HB   ARG  20          1HB       ARG  20   3.959   4.885  10.710
  164   2HB   ARG  20          2HB       ARG  20   4.267   5.940  12.116
  165   1HG   ARG  20          1HG       ARG  20   5.643   7.447  10.712
  166   2HG   ARG  20          2HG       ARG  20   5.653   6.248   9.374
  167   1HD   ARG  20          1HD       ARG  20   4.039   8.091   8.859
  168   2HD   ARG  20          2HD       ARG  20   3.195   6.509   9.050
  169    HE   ARG  20           HE       ARG  20   2.236   7.216  11.086
  170   1HH1  ARG  20          1HH1      ARG  20   4.459   9.747   9.855
  171   2HH1  ARG  20          2HH1      ARG  20   3.856  10.977  10.901
  172   1HH2  ARG  20          1HH2      ARG  20   1.433   8.900  12.489
  173   2HH2  ARG  20          2HH2      ARG  20   2.106  10.485  12.426
  174    H    GLU  21           H        GLU  21   5.868   5.003  14.109
  175    HA   GLU  21           HA       GLU  21   7.352   7.327  14.298
  176   1HB   GLU  21          1HB       GLU  21   5.613   6.284  15.912
  177   2HB   GLU  21          2HB       GLU  21   6.950   5.314  16.590
  178   1HG   GLU  21          1HG       GLU  21   6.804   8.416  16.473
  179   2HG   GLU  21          2HG       GLU  21   6.317   7.407  17.879
  180    H    SER  22           H        SER  22   8.250   3.886  14.774
  181    HA   SER  22           HA       SER  22  10.822   4.393  15.790
  182   1HB   SER  22          1HB       SER  22   9.690   1.869  14.425
  183   2HB   SER  22          2HB       SER  22  11.223   1.952  15.379
  184    HG   SER  22           HG       SER  22   8.560   2.312  16.252
  185    H    ILE  23           H        ILE  23   9.513   3.953  12.501
  186    HA   ILE  23           HA       ILE  23  12.012   3.423  11.297
  187    HB   ILE  23           HB       ILE  23   9.305   4.210  10.147
  188   1HG1  ILE  23          1HG1      ILE  23  10.785   1.500  10.260
  189   2HG1  ILE  23          2HG1      ILE  23   9.520   1.991  11.421
  190   1HG2  ILE  23          1HG2      ILE  23  11.862   3.221   8.703
  191   2HG2  ILE  23          2HG2      ILE  23  10.246   3.403   7.941
  192   3HG2  ILE  23          3HG2      ILE  23  11.108   4.852   8.524
  193   1HD1  ILE  23          1HD1      ILE  23   7.865   2.209   9.514
  194   2HD1  ILE  23          2HD1      ILE  23   9.124   1.554   8.396
  195   3HD1  ILE  23          3HD1      ILE  23   8.506   0.541   9.745
  196    H    LYS  24           H        LYS  24  10.031   6.426  11.761
  197    HA   LYS  24           HA       LYS  24  11.754   7.913  10.058
  198   1HB   LYS  24          1HB       LYS  24  10.427   9.894  10.615
  199   2HB   LYS  24          2HB       LYS  24   9.424   8.492  10.144
  200   1HG   LYS  24          1HG       LYS  24   8.212   9.425  11.875
  201   2HG   LYS  24          2HG       LYS  24   9.046   8.052  12.667
  202   1HD   LYS  24          1HD       LYS  24  10.719   9.676  13.637
  203   2HD   LYS  24          2HD       LYS  24   9.854  11.030  12.824
  204   1HE   LYS  24          1HE       LYS  24   7.812  10.562  14.207
  205   2HE   LYS  24          2HE       LYS  24   8.617   9.100  14.904
  206   1HZ   LYS  24          1HZ       LYS  24  10.324  10.574  15.800
  207   2HZ   LYS  24          2HZ       LYS  24   9.438  11.930  15.276
  208   3HZ   LYS  24          3HZ       LYS  24   8.777  10.855  16.421
  209    H    ARG  25           H        ARG  25  12.246   6.839  13.222
  210    HA   ARG  25           HA       ARG  25  13.740   9.138  14.128
  211   1HB   ARG  25          1HB       ARG  25  13.481   6.236  15.103
  212   2HB   ARG  25          2HB       ARG  25  14.622   7.409  15.850
  213   1HG   ARG  25          1HG       ARG  25  12.847   8.844  16.605
  214   2HG   ARG  25          2HG       ARG  25  11.615   7.984  15.630
  215   1HD   ARG  25          1HD       ARG  25  11.489   7.393  18.072
  216   2HD   ARG  25          2HD       ARG  25  11.808   5.954  17.027
  217    HE   ARG  25           HE       ARG  25  14.263   6.227  17.580
  218   1HH1  ARG  25          1HH1      ARG  25  11.799   7.442  19.888
  219   2HH1  ARG  25          2HH1      ARG  25  12.839   7.334  21.261
  220   1HH2  ARG  25          1HH2      ARG  25  15.641   6.085  19.440
  221   2HH2  ARG  25          2HH2      ARG  25  15.066   6.540  21.001
  222    H    GLU  26           H        GLU  26  14.407   5.789  12.945
  223    HA   GLU  26           HA       GLU  26  17.199   6.167  13.109
  224   1HB   GLU  26          1HB       GLU  26  15.668   3.938  11.653
  225   2HB   GLU  26          2HB       GLU  26  17.382   3.900  12.197
  226   1HG   GLU  26          1HG       GLU  26  14.849   3.942  13.969
  227   2HG   GLU  26          2HG       GLU  26  15.984   2.571  13.723
  228    H    ASN  27           H        ASN  27  14.798   6.148  10.423
  229    HA   ASN  27           HA       ASN  27  16.910   6.686   8.504
  230   1HB   ASN  27          1HB       ASN  27  13.872   6.386   8.125
  231   2HB   ASN  27          2HB       ASN  27  15.052   6.723   6.806
  232   2HD2  ASN  27          2HD2      ASN  27  13.873   4.263   9.116
  233   1HD2  ASN  27          1HD2      ASN  27  14.689   2.910   8.398
  234    HA   PRO  28           HA       PRO  28  16.232  10.826   9.693
  235   1HB   PRO  28          1HB       PRO  28  17.761  12.258   7.883
  236   2HB   PRO  28          2HB       PRO  28  18.461  11.069   9.043
  237   1HG   PRO  28          1HG       PRO  28  17.715  10.568   6.110
  238   2HG   PRO  28          2HG       PRO  28  19.284  10.202   6.943
  239   1HD   PRO  28          1HD       PRO  28  17.293   8.289   6.636
  240   2HD   PRO  28          2HD       PRO  28  18.309   8.368   8.152
  241    H    GLY  29           H        GLY  29  13.881  11.086   9.372
  242   1HA   GLY  29          1HA       GLY  29  13.383  13.340   7.771
  243   2HA   GLY  29          2HA       GLY  29  12.209  12.368   8.741
  244    H    ILE  30           H        ILE  30  12.150   9.969   7.641
  245    HA   ILE  30           HA       ILE  30  12.324  10.034   4.798
  246    HB   ILE  30           HB       ILE  30  13.248   8.253   6.186
  247   1HG1  ILE  30          1HG1      ILE  30  11.016   7.191   4.373
  248   2HG1  ILE  30          2HG1      ILE  30  12.570   7.887   3.800
  249   1HG2  ILE  30          1HG2      ILE  30  11.560   8.265   8.013
  250   2HG2  ILE  30          2HG2      ILE  30  10.316   7.587   6.906
  251   3HG2  ILE  30          3HG2      ILE  30  11.763   6.616   7.343
  252   1HD1  ILE  30          1HD1      ILE  30  13.837   6.093   5.009
  253   2HD1  ILE  30          2HD1      ILE  30  12.282   5.368   5.574
  254   3HD1  ILE  30          3HD1      ILE  30  12.676   5.409   3.820
  255    H    LYS  31           H        LYS  31  10.613   9.739   3.288
  256    HA   LYS  31           HA       LYS  31   7.981  10.545   4.278
  257   1HB   LYS  31          1HB       LYS  31   9.237  10.422   1.479
  258   2HB   LYS  31          2HB       LYS  31   7.471  10.622   1.719
  259   1HG   LYS  31          1HG       LYS  31   8.405  12.762   1.271
  260   2HG   LYS  31          2HG       LYS  31   7.790  12.723   2.957
  261   1HD   LYS  31          1HD       LYS  31  10.100  12.591   3.836
  262   2HD   LYS  31          2HD       LYS  31  10.755  12.360   2.181
  263   1HE   LYS  31          1HE       LYS  31  11.135  14.683   3.012
  264   2HE   LYS  31          2HE       LYS  31  10.074  14.681   1.545
  265   1HZ   LYS  31          1HZ       LYS  31   9.007  14.762   4.315
  266   2HZ   LYS  31          2HZ       LYS  31   9.401  16.147   3.415
  267   3HZ   LYS  31          3HZ       LYS  31   8.201  15.099   2.851
  268    H    VAL  32           H        VAL  32   6.086   9.376   3.218
  269    HA   VAL  32           HA       VAL  32   6.200   6.813   4.173
  270    HB   VAL  32           HB       VAL  32   4.265   8.347   4.198
  271   1HG1  VAL  32          1HG1      VAL  32   4.524   9.126   1.781
  272   2HG1  VAL  32          2HG1      VAL  32   3.837   7.548   1.241
  273   3HG1  VAL  32          3HG1      VAL  32   2.856   8.669   2.242
  274   1HG2  VAL  32          1HG2      VAL  32   4.018   5.902   4.689
  275   2HG2  VAL  32          2HG2      VAL  32   2.542   6.607   3.930
  276   3HG2  VAL  32          3HG2      VAL  32   3.650   5.586   2.950
  277    H    THR  33           H        THR  33   6.650   7.951   0.845
  278    HA   THR  33           HA       THR  33   6.090   5.489  -0.423
  279    HB   THR  33           HB       THR  33   7.280   6.620  -2.384
  280    HG1  THR  33           HG1      THR  33   7.853   8.715  -2.110
  281   1HG2  THR  33          1HG2      THR  33   4.796   6.745  -1.981
  282   2HG2  THR  33          2HG2      THR  33   5.027   8.193  -0.932
  283   3HG2  THR  33          3HG2      THR  33   5.428   8.276  -2.685
  284    H    GLU  34           H        GLU  34   8.889   6.935   1.133
  285    HA   GLU  34           HA       GLU  34  10.781   5.064   0.030
  286   1HB   GLU  34          1HB       GLU  34  10.986   7.216   2.192
  287   2HB   GLU  34          2HB       GLU  34  12.391   6.329   1.491
  288   1HG   GLU  34          1HG       GLU  34  11.965   7.392  -0.720
  289   2HG   GLU  34          2HG       GLU  34  10.480   8.198  -0.088
  290    H    VAL  35           H        VAL  35   8.660   5.398   2.840
  291    HA   VAL  35           HA       VAL  35  10.068   3.576   4.522
  292    HB   VAL  35           HB       VAL  35   7.215   4.666   4.577
  293   1HG1  VAL  35          1HG1      VAL  35   8.647   2.826   6.610
  294   2HG1  VAL  35          2HG1      VAL  35   7.124   3.734   6.938
  295   3HG1  VAL  35          3HG1      VAL  35   7.149   2.443   5.693
  296   1HG2  VAL  35          1HG2      VAL  35   9.109   6.288   5.078
  297   2HG2  VAL  35          2HG2      VAL  35   8.105   5.958   6.528
  298   3HG2  VAL  35          3HG2      VAL  35   9.714   5.168   6.337
  299    H    ALA  36           H        ALA  36   7.757   3.332   1.841
  300    HA   ALA  36           HA       ALA  36   6.838   0.748   2.369
  301   1HB   ALA  36          1HB       ALA  36   6.135   0.701  -0.021
  302   2HB   ALA  36          2HB       ALA  36   7.144   2.159  -0.348
  303   3HB   ALA  36          3HB       ALA  36   5.714   2.277   0.740
  304    H    LYS  37           H        LYS  37   9.850   1.940   0.992
  305    HA   LYS  37           HA       LYS  37  10.659  -0.430  -0.326
  306   1HB   LYS  37          1HB       LYS  37  11.575   1.839  -0.865
  307   2HB   LYS  37          2HB       LYS  37  12.229   1.973   0.793
  308   1HG   LYS  37          1HG       LYS  37  13.751  -0.009   0.309
  309   2HG   LYS  37          2HG       LYS  37  13.167   0.028  -1.394
  310   1HD   LYS  37          1HD       LYS  37  14.030   2.380  -1.617
  311   2HD   LYS  37          2HD       LYS  37  14.472   2.383   0.122
  312   1HE   LYS  37          1HE       LYS  37  16.506   2.044  -1.218
  313   2HE   LYS  37          2HE       LYS  37  16.147   0.535  -0.285
  314   1HZ   LYS  37          1HZ       LYS  37  15.498   1.034  -3.146
  315   2HZ   LYS  37          2HZ       LYS  37  16.770   0.083  -2.547
  316   3HZ   LYS  37          3HZ       LYS  37  15.160  -0.387  -2.277
  317    H    ARG  38           H        ARG  38  11.619   1.131   2.808
  318    HA   ARG  38           HA       ARG  38  13.354  -0.997   3.446
  319   1HB   ARG  38          1HB       ARG  38  13.693   1.430   4.104
  320   2HB   ARG  38          2HB       ARG  38  12.303   1.290   5.224
  321   1HG   ARG  38          1HG       ARG  38  14.413   1.157   6.442
  322   2HG   ARG  38          2HG       ARG  38  13.560  -0.420   6.563
  323   1HD   ARG  38          1HD       ARG  38  15.082  -1.389   4.803
  324   2HD   ARG  38          2HD       ARG  38  15.927   0.216   4.655
  325    HE   ARG  38           HE       ARG  38  16.009  -0.456   7.396
  326   1HH1  ARG  38          1HH1      ARG  38  17.162  -1.906   4.328
  327   2HH1  ARG  38          2HH1      ARG  38  18.527  -2.679   5.042
  328   1HH2  ARG  38          1HH2      ARG  38  17.874  -1.518   8.350
  329   2HH2  ARG  38          2HH2      ARG  38  18.938  -2.453   7.369
  330    H    GLY  39           H        GLY  39  10.013  -0.142   4.310
  331   1HA   GLY  39          1HA       GLY  39   8.561  -0.988   5.706
  332   2HA   GLY  39          2HA       GLY  39   9.861  -1.948   6.507
  333    H    GLY  40           H        GLY  40   9.789  -2.402   3.097
  334   1HA   GLY  40          1HA       GLY  40   9.068  -4.013   1.785
  335   2HA   GLY  40          2HA       GLY  40   7.845  -4.488   3.026
  336    H    GLU  41           H        GLU  41  11.211  -4.183   3.920
  337    HA   GLU  41           HA       GLU  41  11.949  -6.905   3.527
  338   1HB   GLU  41          1HB       GLU  41  13.182  -4.735   5.337
  339   2HB   GLU  41          2HB       GLU  41  13.974  -6.275   4.871
  340   1HG   GLU  41          1HG       GLU  41  13.195  -4.015   2.887
  341   2HG   GLU  41          2HG       GLU  41  14.797  -4.208   3.673
  342    H    LEU  42           H        LEU  42  10.857  -4.825   6.226
  343    HA   LEU  42           HA       LEU  42  11.226  -6.778   8.232
  344   1HB   LEU  42          1HB       LEU  42   9.632  -4.160   8.153
  345   2HB   LEU  42          2HB       LEU  42   9.879  -5.119   9.653
  346    HG   LEU  42           HG       LEU  42  12.166  -3.935   7.967
  347   1HD1  LEU  42          1HD1      LEU  42  10.764  -2.098   8.846
  348   2HD1  LEU  42          2HD1      LEU  42  10.842  -2.796  10.508
  349   3HD1  LEU  42          3HD1      LEU  42  12.338  -2.167   9.720
  350   1HD2  LEU  42          1HD2      LEU  42  12.129  -5.117  10.823
  351   2HD2  LEU  42          2HD2      LEU  42  12.888  -5.868   9.369
  352   3HD2  LEU  42          3HD2      LEU  42  13.542  -4.328  10.029
  353    H    TRP  43           H        TRP  43   8.465  -5.748   6.223
  354    HA   TRP  43           HA       TRP  43   6.377  -6.790   7.644
  355   1HB   TRP  43          1HB       TRP  43   6.020  -5.284   5.789
  356   2HB   TRP  43          2HB       TRP  43   6.862  -6.383   4.649
  357    HD1  TRP  43           HD1      TRP  43   5.272  -7.802   3.158
  358    HE1  TRP  43           HE1      TRP  43   2.844  -8.587   3.253
  359    HE3  TRP  43           HE3      TRP  43   4.045  -5.850   7.702
  360    HZ2  TRP  43           HZ2      TRP  43   0.655  -8.466   5.111
  361    HZ3  TRP  43           HZ3      TRP  43   1.782  -6.255   8.613
  362    HH2  TRP  43           HH2      TRP  43   0.115  -7.548   7.343
  363    H    ARG  44           H        ARG  44   8.685  -8.502   5.552
  364    HA   ARG  44           HA       ARG  44   7.216 -10.795   5.051
  365   1HB   ARG  44          1HB       ARG  44  10.235 -10.287   5.247
  366   2HB   ARG  44          2HB       ARG  44   9.541 -11.873   4.751
  367   1HG   ARG  44          1HG       ARG  44   8.307 -10.816   2.916
  368   2HG   ARG  44          2HG       ARG  44   9.003  -9.206   3.299
  369   1HD   ARG  44          1HD       ARG  44  11.175  -9.781   2.532
  370   2HD   ARG  44          2HD       ARG  44  10.930 -11.550   2.789
  371    HE   ARG  44           HE       ARG  44  10.052  -9.937   0.447
  372   1HH1  ARG  44          1HH1      ARG  44   9.749 -13.038   2.221
  373   2HH1  ARG  44          2HH1      ARG  44   9.048 -13.893   0.898
  374   1HH2  ARG  44          1HH2      ARG  44   9.067 -11.114  -1.335
  375   2HH2  ARG  44          2HH2      ARG  44   8.653 -12.778  -1.154
  376    H    ALA  45           H        ALA  45   9.717 -10.239   7.656
  377    HA   ALA  45           HA       ALA  45   8.185 -12.070   9.321
  378   1HB   ALA  45          1HB       ALA  45   9.955 -13.571   8.381
  379   2HB   ALA  45          2HB       ALA  45  11.219 -12.375   8.842
  380   3HB   ALA  45          3HB       ALA  45  10.267 -13.226  10.120
  381    H    MET  46           H        MET  46   7.634 -10.711  10.903
  382    HA   MET  46           HA       MET  46   9.771  -9.256  12.242
  383   1HB   MET  46          1HB       MET  46   7.990  -7.412  12.785
  384   2HB   MET  46          2HB       MET  46   8.904  -7.372  11.259
  385   1HG   MET  46          1HG       MET  46   6.939  -6.820  10.412
  386   2HG   MET  46          2HG       MET  46   6.832  -8.570  10.158
  387   1HE   MET  46          1HE       MET  46   4.484  -8.670   9.679
  388   2HE   MET  46          2HE       MET  46   3.170  -7.782  10.520
  389   3HE   MET  46          3HE       MET  46   4.474  -6.873   9.684
  390    H    LYS  47           H        LYS  47   6.234  -9.676  12.577
  391    HA   LYS  47           HA       LYS  47   6.610 -11.522  14.797
  392   1HB   LYS  47          1HB       LYS  47   4.910  -8.947  14.785
  393   2HB   LYS  47          2HB       LYS  47   4.682 -10.272  15.990
  394   1HG   LYS  47          1HG       LYS  47   6.822  -9.957  16.966
  395   2HG   LYS  47          2HG       LYS  47   7.393  -8.870  15.666
  396   1HD   LYS  47          1HD       LYS  47   5.044  -8.190  17.541
  397   2HD   LYS  47          2HD       LYS  47   6.750  -7.759  17.892
  398   1HE   LYS  47          1HE       LYS  47   5.163  -6.790  15.409
  399   2HE   LYS  47          2HE       LYS  47   5.509  -5.826  16.899
  400   1HZ   LYS  47          1HZ       LYS  47   7.855  -6.061  16.444
  401   2HZ   LYS  47          2HZ       LYS  47   7.534  -6.965  15.044
  402   3HZ   LYS  47          3HZ       LYS  47   7.045  -5.341  15.138
  403    H    ASP  48           H        ASP  48   3.408 -10.525  14.525
  404    HA   ASP  48           HA       ASP  48   2.854 -12.739  12.712
  405   1HB   ASP  48          1HB       ASP  48   1.024 -11.077  14.550
  406   2HB   ASP  48          2HB       ASP  48   0.452 -12.409  13.474
  407    H    LYS  49           H        LYS  49   1.959 -12.485  10.750
  408    HA   LYS  49           HA       LYS  49   1.332  -9.817   9.754
  409   1HB   LYS  49          1HB       LYS  49   1.330 -12.594   8.426
  410   2HB   LYS  49          2HB       LYS  49   0.873 -11.062   7.596
  411   1HG   LYS  49          1HG       LYS  49   3.148 -10.162   7.872
  412   2HG   LYS  49          2HG       LYS  49   3.630 -11.572   8.875
  413   1HD   LYS  49          1HD       LYS  49   4.545 -11.825   6.647
  414   2HD   LYS  49          2HD       LYS  49   3.315 -13.104   6.950
  415   1HE   LYS  49          1HE       LYS  49   1.641 -11.828   5.549
  416   2HE   LYS  49          2HE       LYS  49   2.870 -10.524   5.286
  417   1HZ   LYS  49          1HZ       LYS  49   3.129 -13.369   4.460
  418   2HZ   LYS  49          2HZ       LYS  49   2.743 -12.057   3.455
  419   3HZ   LYS  49          3HZ       LYS  49   4.269 -12.138   4.196
  420    H    SER  50           H        SER  50  -0.033 -12.756  11.075
  421    HA   SER  50           HA       SER  50  -2.541 -12.717   9.898
  422   1HB   SER  50          1HB       SER  50  -1.361 -14.698  11.006
  423   2HB   SER  50          2HB       SER  50  -1.758 -13.976  12.606
  424    HG   SER  50           HG       SER  50  -3.927 -14.196  12.078
  425    H    GLU  51           H        GLU  51  -1.213 -10.875  12.568
  426    HA   GLU  51           HA       GLU  51  -3.561 -10.269  13.975
  427   1HB   GLU  51          1HB       GLU  51  -1.310  -9.854  14.911
  428   2HB   GLU  51          2HB       GLU  51  -0.920  -8.732  13.566
  429   1HG   GLU  51          1HG       GLU  51  -2.607  -7.092  14.380
  430   2HG   GLU  51          2HG       GLU  51  -3.145  -8.245  15.662
  431    H    TRP  52           H        TRP  52  -1.822  -8.703  11.252
  432    HA   TRP  52           HA       TRP  52  -3.626  -6.504  11.179
  433   1HB   TRP  52          1HB       TRP  52  -1.485  -7.288   9.127
  434   2HB   TRP  52          2HB       TRP  52  -2.223  -5.662   9.391
  435    HD1  TRP  52           HD1      TRP  52   0.781  -7.695  10.393
  436    HE1  TRP  52           HE1      TRP  52   2.022  -6.587  12.338
  437    HE3  TRP  52           HE3      TRP  52  -2.795  -4.320  11.734
  438    HZ2  TRP  52           HZ2      TRP  52   1.581  -4.415  14.155
  439    HZ3  TRP  52           HZ3      TRP  52  -2.340  -2.749  13.588
  440    HH2  TRP  52           HH2      TRP  52  -0.179  -2.796  14.782
  441    H    GLU  53           H        GLU  53  -3.231  -9.591   9.469
  442    HA   GLU  53           HA       GLU  53  -4.908  -9.041   7.273
  443   1HB   GLU  53          1HB       GLU  53  -4.088 -11.628   8.705
  444   2HB   GLU  53          2HB       GLU  53  -5.171 -11.652   7.281
  445   1HG   GLU  53          1HG       GLU  53  -2.313 -10.479   7.233
  446   2HG   GLU  53          2HG       GLU  53  -2.762 -12.156   6.749
  447    H    ALA  54           H        ALA  54  -5.484 -10.224  10.609
  448    HA   ALA  54           HA       ALA  54  -8.138 -11.029  10.195
  449   1HB   ALA  54          1HB       ALA  54  -6.797 -11.818  12.147
  450   2HB   ALA  54          2HB       ALA  54  -8.302 -11.005  12.703
  451   3HB   ALA  54          3HB       ALA  54  -6.720 -10.138  12.784
  452    H    LYS  55           H        LYS  55  -6.635  -7.954  11.296
  453    HA   LYS  55           HA       LYS  55  -9.114  -6.722  11.916
  454   1HB   LYS  55          1HB       LYS  55  -6.297  -5.581  11.508
  455   2HB   LYS  55          2HB       LYS  55  -7.711  -4.609  12.061
  456   1HG   LYS  55          1HG       LYS  55  -7.987  -6.064  14.047
  457   2HG   LYS  55          2HG       LYS  55  -6.603  -7.083  13.529
  458   1HD   LYS  55          1HD       LYS  55  -5.072  -5.113  13.719
  459   2HD   LYS  55          2HD       LYS  55  -6.460  -4.094  14.253
  460   1HE   LYS  55          1HE       LYS  55  -6.777  -5.578  16.269
  461   2HE   LYS  55          2HE       LYS  55  -5.382  -6.601  15.733
  462   1HZ   LYS  55          1HZ       LYS  55  -5.266  -3.712  16.431
  463   2HZ   LYS  55          2HZ       LYS  55  -4.763  -5.010  17.403
  464   3HZ   LYS  55          3HZ       LYS  55  -3.957  -4.683  15.947
  465    H    ALA  56           H        ALA  56  -7.090  -6.958   8.994
  466    HA   ALA  56           HA       ALA  56  -8.352  -4.825   7.612
  467   1HB   ALA  56          1HB       ALA  56  -7.206  -5.766   5.592
  468   2HB   ALA  56          2HB       ALA  56  -6.073  -5.622   6.980
  469   3HB   ALA  56          3HB       ALA  56  -6.750  -7.232   6.545
  470    H    ALA  57           H        ALA  57  -8.903  -8.334   7.964
  471    HA   ALA  57           HA       ALA  57 -10.790  -8.568   5.875
  472   1HB   ALA  57          1HB       ALA  57 -11.313 -10.793   6.915
  473   2HB   ALA  57          2HB       ALA  57 -10.323 -10.341   8.356
  474   3HB   ALA  57          3HB       ALA  57  -9.538 -10.548   6.750
  475    H    LYS  58           H        LYS  58 -10.983  -8.002   9.424
  476    HA   LYS  58           HA       LYS  58 -13.794  -8.105   9.572
  477   1HB   LYS  58          1HB       LYS  58 -11.615  -6.870  11.337
  478   2HB   LYS  58          2HB       LYS  58 -13.353  -6.672  11.748
  479   1HG   LYS  58          1HG       LYS  58 -12.033  -9.427  11.396
  480   2HG   LYS  58          2HG       LYS  58 -12.159  -8.543  12.956
  481   1HD   LYS  58          1HD       LYS  58 -14.653  -8.448  12.702
  482   2HD   LYS  58          2HD       LYS  58 -14.531  -9.438  11.203
  483   1HE   LYS  58          1HE       LYS  58 -13.542 -11.336  12.516
  484   2HE   LYS  58          2HE       LYS  58 -13.607 -10.333  14.023
  485   1HZ   LYS  58          1HZ       LYS  58 -15.994 -10.222  13.782
  486   2HZ   LYS  58          2HZ       LYS  58 -15.937 -11.167  12.373
  487   3HZ   LYS  58          3HZ       LYS  58 -15.458 -11.830  13.860
  488    H    ALA  59           H        ALA  59 -11.457  -5.470   8.891
  489    HA   ALA  59           HA       ALA  59 -13.323  -3.383   9.120
  490   1HB   ALA  59          1HB       ALA  59 -10.853  -3.005   9.255
  491   2HB   ALA  59          2HB       ALA  59 -11.596  -1.991   7.971
  492   3HB   ALA  59          3HB       ALA  59 -10.687  -3.489   7.529
  493    H    LYS  60           H        LYS  60 -12.689  -5.716   6.583
  494    HA   LYS  60           HA       LYS  60 -13.591  -4.163   4.407
  495   1HB   LYS  60          1HB       LYS  60 -12.108  -6.314   4.381
  496   2HB   LYS  60          2HB       LYS  60 -13.609  -7.232   4.649
  497   1HG   LYS  60          1HG       LYS  60 -13.254  -7.347   2.314
  498   2HG   LYS  60          2HG       LYS  60 -14.546  -6.126   2.509
  499   1HD   LYS  60          1HD       LYS  60 -13.006  -5.329   0.820
  500   2HD   LYS  60          2HD       LYS  60 -12.816  -4.290   2.266
  501   1HE   LYS  60          1HE       LYS  60 -10.607  -4.808   1.234
  502   2HE   LYS  60          2HE       LYS  60 -10.697  -5.539   2.882
  503   1HZ   LYS  60          1HZ       LYS  60 -11.144  -6.954   0.302
  504   2HZ   LYS  60          2HZ       LYS  60  -9.761  -7.042   1.283
  505   3HZ   LYS  60          3HZ       LYS  60 -11.242  -7.646   1.849
  506    H    ASP  61           H        ASP  61 -15.053  -6.762   6.438
  507    HA   ASP  61           HA       ASP  61 -17.569  -6.646   5.153
  508   1HB   ASP  61          1HB       ASP  61 -16.621  -7.983   7.766
  509   2HB   ASP  61          2HB       ASP  61 -18.301  -8.134   7.126
  510    H    ASP  62           H        ASP  62 -16.151  -5.127   8.053
  511    HA   ASP  62           HA       ASP  62 -18.558  -4.316   9.230
  512   1HB   ASP  62          1HB       ASP  62 -16.339  -4.386  10.443
  513   2HB   ASP  62          2HB       ASP  62 -15.770  -3.006   9.443
  514    H    TYR  63           H        TYR  63 -16.307  -2.767   6.884
  515    HA   TYR  63           HA       TYR  63 -17.570  -0.301   6.742
  516   1HB   TYR  63          1HB       TYR  63 -15.267  -0.738   5.861
  517   2HB   TYR  63          2HB       TYR  63 -15.943  -1.825   4.601
  518    HD1  TYR  63           HD1      TYR  63 -16.447   1.719   5.904
  519    HD2  TYR  63           HD2      TYR  63 -16.152  -0.876   2.489
  520    HE1  TYR  63           HE1      TYR  63 -16.489   3.680   4.418
  521    HE2  TYR  63           HE2      TYR  63 -16.222   1.080   0.993
  522    HH   TYR  63           HH       TYR  63 -16.310   3.335   0.844
  523    H    ASP  64           H        ASP  64 -17.944  -3.262   4.694
  524    HA   ASP  64           HA       ASP  64 -19.680  -2.214   2.861
  525   1HB   ASP  64          1HB       ASP  64 -18.377  -4.400   2.702
  526   2HB   ASP  64          2HB       ASP  64 -19.557  -5.141   3.834
  527    H    ARG  65           H        ARG  65 -20.423  -3.910   5.952
  528    HA   ARG  65           HA       ARG  65 -23.214  -3.954   5.511
  529   1HB   ARG  65          1HB       ARG  65 -22.043  -5.600   6.935
  530   2HB   ARG  65          2HB       ARG  65 -21.552  -4.307   8.075
  531   1HG   ARG  65          1HG       ARG  65 -23.895  -3.900   8.715
  532   2HG   ARG  65          2HG       ARG  65 -24.492  -5.024   7.450
  533   1HD   ARG  65          1HD       ARG  65 -22.704  -5.856   9.845
  534   2HD   ARG  65          2HD       ARG  65 -24.502  -6.000   9.825
  535    HE   ARG  65           HE       ARG  65 -22.533  -7.668   8.358
  536   1HH1  ARG  65          1HH1      ARG  65 -25.974  -6.678   8.569
  537   2HH1  ARG  65          2HH1      ARG  65 -26.572  -8.096   7.791
  538   1HH2  ARG  65          1HH2      ARG  65 -23.369  -9.577   7.293
  539   2HH2  ARG  65          2HH2      ARG  65 -25.064  -9.769   7.051
  540    H    ALA  66           H        ALA  66 -20.984  -1.781   7.341
  541    HA   ALA  66           HA       ALA  66 -23.104  -0.519   8.703
  542   1HB   ALA  66          1HB       ALA  66 -20.172   0.313   8.404
  543   2HB   ALA  66          2HB       ALA  66 -20.854  -0.718   9.710
  544   3HB   ALA  66          3HB       ALA  66 -21.346   1.008   9.594
  545    H    VAL  67           H        VAL  67 -21.383   0.275   5.632
  546    HA   VAL  67           HA       VAL  67 -22.247   2.968   5.645
  547    HB   VAL  67           HB       VAL  67 -21.706   3.078   3.251
  548   1HG1  VAL  67          1HG1      VAL  67 -19.566   1.853   5.108
  549   2HG1  VAL  67          2HG1      VAL  67 -19.262   2.749   3.576
  550   3HG1  VAL  67          3HG1      VAL  67 -20.035   3.584   4.970
  551   1HG2  VAL  67          1HG2      VAL  67 -21.089   0.061   3.553
  552   2HG2  VAL  67          2HG2      VAL  67 -22.318   0.820   2.486
  553   3HG2  VAL  67          3HG2      VAL  67 -20.570   1.098   2.180
  554    H    LYS  68           H        LYS  68 -23.848  -0.045   4.883
  555    HA   LYS  68           HA       LYS  68 -25.761   0.967   3.101
  556   1HB   LYS  68          1HB       LYS  68 -25.210  -1.491   3.451
  557   2HB   LYS  68          2HB       LYS  68 -25.975  -1.398   5.068
  558   1HG   LYS  68          1HG       LYS  68 -27.488  -2.451   3.513
  559   2HG   LYS  68          2HG       LYS  68 -28.183  -0.867   3.990
  560   1HD   LYS  68          1HD       LYS  68 -27.412   0.140   1.835
  561   2HD   LYS  68          2HD       LYS  68 -26.651  -1.416   1.360
  562   1HE   LYS  68          1HE       LYS  68 -29.682  -0.959   1.849
  563   2HE   LYS  68          2HE       LYS  68 -28.870  -1.045   0.232
  564   1HZ   LYS  68          1HZ       LYS  68 -28.199  -3.295   0.751
  565   2HZ   LYS  68          2HZ       LYS  68 -28.973  -3.216   2.261
  566   3HZ   LYS  68          3HZ       LYS  68 -29.886  -3.116   0.832
  567    H    GLU  69           H        GLU  69 -25.589   0.643   6.664
  568    HA   GLU  69           HA       GLU  69 -28.249   1.541   7.107
  569   1HB   GLU  69          1HB       GLU  69 -25.880   1.388   9.068
  570   2HB   GLU  69          2HB       GLU  69 -27.621   1.514   9.501
  571   1HG   GLU  69          1HG       GLU  69 -26.223  -0.874   8.108
  572   2HG   GLU  69          2HG       GLU  69 -26.782  -0.796   9.815
  573    H    PHE  70           H        PHE  70 -25.001   2.981   7.053
  574    HA   PHE  70           HA       PHE  70 -25.574   5.370   8.356
  575   1HB   PHE  70          1HB       PHE  70 -23.273   4.349   8.039
  576   2HB   PHE  70          2HB       PHE  70 -23.385   4.687   6.279
  577    HD1  PHE  70           HD1      PHE  70 -23.696   6.514   9.602
  578    HD2  PHE  70           HD2      PHE  70 -22.298   6.594   5.534
  579    HE1  PHE  70           HE1      PHE  70 -22.642   8.714  10.001
  580    HE2  PHE  70           HE2      PHE  70 -21.232   8.786   5.945
  581    HZ   PHE  70           HZ       PHE  70 -21.398   9.849   8.183
  582    H    GLU  71           H        GLU  71 -25.438   4.510   4.841
  583    HA   GLU  71           HA       GLU  71 -26.021   7.198   4.052
  584   1HB   GLU  71          1HB       GLU  71 -25.826   4.584   2.467
  585   2HB   GLU  71          2HB       GLU  71 -26.059   6.212   1.729
  586   1HG   GLU  71          1HG       GLU  71 -23.895   6.998   2.666
  587   2HG   GLU  71          2HG       GLU  71 -23.618   5.401   3.453
  588    H    ALA  72           H        ALA  72 -27.917   4.372   4.910
  589    HA   ALA  72           HA       ALA  72 -30.215   5.124   3.367
  590   1HB   ALA  72          1HB       ALA  72 -29.954   2.749   3.980
  591   2HB   ALA  72          2HB       ALA  72 -31.425   3.410   4.771
  592   3HB   ALA  72          3HB       ALA  72 -29.912   3.167   5.728
  593    H    ASN  73           H        ASN  73 -29.586   4.953   6.944
  594    HA   ASN  73           HA       ASN  73 -31.507   7.146   7.297
  595   1HB   ASN  73          1HB       ASN  73 -31.945   4.943   8.520
  596   2HB   ASN  73          2HB       ASN  73 -30.392   5.173   9.394
  597   2HD2  ASN  73          2HD2      ASN  73 -32.050   5.012  11.251
  598   1HD2  ASN  73          1HD2      ASN  73 -32.794   6.476  11.803
  599    H    GLY  74           H        GLY  74 -30.337   9.051   7.140
  600   1HA   GLY  74          1HA       GLY  74 -27.597   9.195   7.658
  601   2HA   GLY  74          2HA       GLY  74 -28.586   9.828   9.049

  No H/Q in entry =         601
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1 -30.915   2.567  11.799
    2    H2   MET   1           H2       MET   1 -30.255   3.812  12.737
    3    H3   MET   1           H3       MET   1 -31.741   3.111  13.184
    4    HA   MET   1           HA       MET   1 -32.755   3.916  11.195
    5   1HB   MET   1          1HB       MET   1 -32.717   5.318  13.312
    6   2HB   MET   1          2HB       MET   1 -31.304   6.215  12.692
    7   1HG   MET   1          1HG       MET   1 -34.036   6.028  11.259
    8   2HG   MET   1          2HG       MET   1 -33.659   7.253  12.503
    9   1HE   MET   1          1HE       MET   1 -34.497   9.075  10.919
   10   2HE   MET   1          2HE       MET   1 -33.891   9.364   9.252
   11   3HE   MET   1          3HE       MET   1 -34.806   7.863   9.627
   12    H    SER   2           H        SER   2 -29.822   6.030  11.429
   13    HA   SER   2           HA       SER   2 -29.169   5.337   8.654
   14   1HB   SER   2          1HB       SER   2 -27.683   7.420   8.786
   15   2HB   SER   2          2HB       SER   2 -29.454   7.739   8.835
   16    HG   SER   2           HG       SER   2 -27.634   7.711  10.999
   17    H    ASP   3           H        ASP   3 -27.222   4.332   8.289
   18    HA   ASP   3           HA       ASP   3 -25.430   3.913  10.581
   19   1HB   ASP   3          1HB       ASP   3 -26.238   1.876   8.390
   20   2HB   ASP   3          2HB       ASP   3 -24.851   1.665   9.521
   21    H    LYS   4           H        LYS   4 -23.166   3.241   9.495
   22    HA   LYS   4           HA       LYS   4 -22.860   4.442   6.900
   23   1HB   LYS   4          1HB       LYS   4 -22.708   6.391   8.474
   24   2HB   LYS   4          2HB       LYS   4 -21.371   5.591   9.340
   25   1HG   LYS   4          1HG       LYS   4 -19.826   6.159   7.743
   26   2HG   LYS   4          2HG       LYS   4 -20.920   5.780   6.374
   27   1HD   LYS   4          1HD       LYS   4 -21.152   8.339   8.062
   28   2HD   LYS   4          2HD       LYS   4 -20.206   8.203   6.535
   29   1HE   LYS   4          1HE       LYS   4 -22.275   7.567   5.267
   30   2HE   LYS   4          2HE       LYS   4 -23.261   7.713   6.776
   31   1HZ   LYS   4          1HZ       LYS   4 -21.712   9.895   5.483
   32   2HZ   LYS   4          2HZ       LYS   4 -23.393   9.665   5.421
   33   3HZ   LYS   4          3HZ       LYS   4 -22.641  10.027   6.899
   34    HA   PRO   5           HA       PRO   5 -19.893   1.071   7.635
   35   1HB   PRO   5          1HB       PRO   5 -18.975   0.680   5.036
   36   2HB   PRO   5          2HB       PRO   5 -20.643   0.210   5.535
   37   1HG   PRO   5          1HG       PRO   5 -19.791   2.805   4.145
   38   2HG   PRO   5          2HG       PRO   5 -21.119   1.662   3.669
   39   1HD   PRO   5          1HD       PRO   5 -21.579   3.933   5.195
   40   2HD   PRO   5          2HD       PRO   5 -22.517   2.396   5.483
   41    H    LYS   6           H        LYS   6 -17.435   0.759   7.178
   42    HA   LYS   6           HA       LYS   6 -16.070   3.350   6.884
   43   1HB   LYS   6          1HB       LYS   6 -15.864   2.414   9.223
   44   2HB   LYS   6          2HB       LYS   6 -15.196   0.897   8.537
   45   1HG   LYS   6          1HG       LYS   6 -13.220   2.140   7.670
   46   2HG   LYS   6          2HG       LYS   6 -13.934   3.697   8.225
   47   1HD   LYS   6          1HD       LYS   6 -13.741   2.960  10.592
   48   2HD   LYS   6          2HD       LYS   6 -13.194   1.333  10.063
   49   1HE   LYS   6          1HE       LYS   6 -11.257   2.705  10.830
   50   2HE   LYS   6          2HE       LYS   6 -11.112   2.308   9.070
   51   1HZ   LYS   6          1HZ       LYS   6 -12.112   4.873  10.198
   52   2HZ   LYS   6          2HZ       LYS   6 -10.566   4.590   9.556
   53   3HZ   LYS   6          3HZ       LYS   6 -11.932   4.494   8.553
   54    H    ARG   7           H        ARG   7 -14.131   3.188   5.584
   55    HA   ARG   7           HA       ARG   7 -14.436   1.514   3.377
   56   1HB   ARG   7          1HB       ARG   7 -12.044   3.241   4.269
   57   2HB   ARG   7          2HB       ARG   7 -12.243   2.550   2.625
   58   1HG   ARG   7          1HG       ARG   7 -14.336   3.881   2.313
   59   2HG   ARG   7          2HG       ARG   7 -14.129   4.591   3.955
   60   1HD   ARG   7          1HD       ARG   7 -11.930   5.590   3.265
   61   2HD   ARG   7          2HD       ARG   7 -12.127   4.920   1.602
   62    HE   ARG   7           HE       ARG   7 -13.602   7.187   2.863
   63   1HH1  ARG   7          1HH1      ARG   7 -13.427   4.929   0.076
   64   2HH1  ARG   7          2HH1      ARG   7 -14.404   5.906  -0.950
   65   1HH2  ARG   7          1HH2      ARG   7 -14.939   8.486   1.459
   66   2HH2  ARG   7          2HH2      ARG   7 -15.284   7.967  -0.148
   67    HA   PRO   8           HA       PRO   8 -11.947  -1.851   4.880
   68   1HB   PRO   8          1HB       PRO   8 -11.132  -3.127   2.557
   69   2HB   PRO   8          2HB       PRO   8 -12.883  -3.003   2.989
   70   1HG   PRO   8          1HG       PRO   8 -11.309  -1.188   1.088
   71   2HG   PRO   8          2HG       PRO   8 -12.896  -2.015   0.789
   72   1HD   PRO   8          1HD       PRO   8 -12.671   0.627   1.680
   73   2HD   PRO   8          2HD       PRO   8 -14.062  -0.434   2.172
   74    H    LEU   9           H        LEU   9  -9.571  -2.719   4.843
   75    HA   LEU   9           HA       LEU   9  -7.701  -0.746   3.781
   76   1HB   LEU   9          1HB       LEU   9  -7.553  -1.795   6.684
   77   2HB   LEU   9          2HB       LEU   9  -6.365  -0.747   5.843
   78    HG   LEU   9           HG       LEU   9  -8.536   0.846   5.554
   79   1HD1  LEU   9          1HD1      LEU   9 -10.131  -0.688   6.765
   80   2HD1  LEU   9          2HD1      LEU   9  -9.094  -0.597   8.234
   81   3HD1  LEU   9          3HD1      LEU   9  -9.927   0.880   7.618
   82   1HD2  LEU   9          1HD2      LEU   9  -6.352   1.485   6.565
   83   2HD2  LEU   9          2HD2      LEU   9  -7.753   2.161   7.476
   84   3HD2  LEU   9          3HD2      LEU   9  -6.857   0.742   8.131
   85    H    SER  10           H        SER  10  -5.487  -1.734   3.739
   86    HA   SER  10           HA       SER  10  -5.691  -4.598   3.222
   87   1HB   SER  10          1HB       SER  10  -4.676  -3.050   1.464
   88   2HB   SER  10          2HB       SER  10  -3.352  -2.679   2.623
   89    HG   SER  10           HG       SER  10  -2.974  -4.370   1.046
   90    H    ALA  11           H        ALA  11  -3.814  -5.932   4.088
   91    HA   ALA  11           HA       ALA  11  -3.720  -5.581   6.894
   92   1HB   ALA  11          1HB       ALA  11  -3.835  -7.839   5.795
   93   2HB   ALA  11          2HB       ALA  11  -2.409  -7.700   6.882
   94   3HB   ALA  11          3HB       ALA  11  -2.203  -7.573   5.090
   95    H    TYR  12           H        TYR  12  -1.497  -5.045   4.187
   96    HA   TYR  12           HA       TYR  12   0.827  -4.656   5.719
   97   1HB   TYR  12          1HB       TYR  12   0.832  -5.262   3.269
   98   2HB   TYR  12          2HB       TYR  12   0.072  -3.678   2.879
   99    HD1  TYR  12           HD1      TYR  12   2.954  -4.595   5.202
  100    HD2  TYR  12           HD2      TYR  12   1.681  -2.489   1.671
  101    HE1  TYR  12           HE1      TYR  12   5.196  -3.624   4.971
  102    HE2  TYR  12           HE2      TYR  12   3.942  -1.532   1.434
  103    HH   TYR  12           HH       TYR  12   6.114  -1.571   2.220
  104    H    MET  13           H        MET  13  -1.847  -2.583   4.621
  105    HA   MET  13           HA       MET  13  -0.572  -0.134   4.941
  106   1HB   MET  13          1HB       MET  13  -2.709  -0.719   3.594
  107   2HB   MET  13          2HB       MET  13  -3.596  -0.652   5.143
  108   1HG   MET  13          1HG       MET  13  -3.870   1.460   3.987
  109   2HG   MET  13          2HG       MET  13  -2.856   1.743   5.429
  110   1HE   MET  13          1HE       MET  13  -3.211   1.674   1.569
  111   2HE   MET  13          2HE       MET  13  -1.536   1.805   0.937
  112   3HE   MET  13          3HE       MET  13  -2.076   0.286   1.721
  113    H    LEU  14           H        LEU  14  -2.410  -2.195   7.177
  114    HA   LEU  14           HA       LEU  14  -2.796  -0.286   9.209
  115   1HB   LEU  14          1HB       LEU  14  -2.695  -3.353   9.268
  116   2HB   LEU  14          2HB       LEU  14  -3.222  -2.339  10.658
  117    HG   LEU  14           HG       LEU  14  -4.604  -2.269   7.919
  118   1HD1  LEU  14          1HD1      LEU  14  -4.721  -4.576   8.819
  119   2HD1  LEU  14          2HD1      LEU  14  -5.353  -3.951  10.388
  120   3HD1  LEU  14          3HD1      LEU  14  -6.334  -3.774   8.882
  121   1HD2  LEU  14          1HD2      LEU  14  -5.506  -1.313  10.712
  122   2HD2  LEU  14          2HD2      LEU  14  -5.037  -0.264   9.320
  123   3HD2  LEU  14          3HD2      LEU  14  -6.509  -1.294   9.213
  124    H    TRP  15           H        TRP  15  -0.198  -2.621   8.446
  125    HA   TRP  15           HA       TRP  15   1.132  -2.316  10.935
  126   1HB   TRP  15          1HB       TRP  15   1.359  -4.382   9.659
  127   2HB   TRP  15          2HB       TRP  15   2.019  -3.490   8.247
  128    HD1  TRP  15           HD1      TRP  15   3.134  -4.525  11.907
  129    HE1  TRP  15           HE1      TRP  15   5.685  -4.343  12.018
  130    HE3  TRP  15           HE3      TRP  15   3.941  -2.552   7.272
  131    HZ2  TRP  15           HZ2      TRP  15   7.800  -3.357  10.353
  132    HZ3  TRP  15           HZ3      TRP  15   6.235  -1.928   6.614
  133    HH2  TRP  15           HH2      TRP  15   8.134  -2.302   8.142
  134    H    LEU  16           H        LEU  16   1.257  -0.662   7.757
  135    HA   LEU  16           HA       LEU  16   3.774   0.474   8.040
  136   1HB   LEU  16          1HB       LEU  16   1.293   1.340   6.471
  137   2HB   LEU  16          2HB       LEU  16   2.788   2.329   6.437
  138    HG   LEU  16           HG       LEU  16   2.716  -0.619   5.604
  139   1HD1  LEU  16          1HD1      LEU  16   1.264   0.745   4.102
  140   2HD1  LEU  16          2HD1      LEU  16   2.604   1.924   3.855
  141   3HD1  LEU  16          3HD1      LEU  16   2.768   0.233   3.255
  142   1HD2  LEU  16          1HD2      LEU  16   4.987   0.170   6.299
  143   2HD2  LEU  16          2HD2      LEU  16   4.907  -0.085   4.524
  144   3HD2  LEU  16          3HD2      LEU  16   4.838   1.583   5.189
  145    H    ASN  17           H        ASN  17   0.547   1.770   9.064
  146    HA   ASN  17           HA       ASN  17   1.691   4.276   9.717
  147   1HB   ASN  17          1HB       ASN  17  -0.482   4.911  10.679
  148   2HB   ASN  17          2HB       ASN  17  -0.621   4.252   9.022
  149   2HD2  ASN  17          2HD2      ASN  17  -2.023   2.521   8.673
  150   1HD2  ASN  17          1HD2      ASN  17  -2.883   1.690   9.927
  151    H    SER  18           H        SER  18   1.238   1.279  11.538
  152    HA   SER  18           HA       SER  18   1.432   2.576  14.082
  153   1HB   SER  18          1HB       SER  18   1.521   0.187  14.976
  154   2HB   SER  18          2HB       SER  18   0.045   0.624  14.045
  155    HG   SER  18           HG       SER  18   0.641  -0.590  12.430
  156    H    ALA  19           H        ALA  19   3.623   0.778  11.877
  157    HA   ALA  19           HA       ALA  19   5.770   0.815  13.803
  158   1HB   ALA  19          1HB       ALA  19   5.450  -1.138  12.255
  159   2HB   ALA  19          2HB       ALA  19   5.712  -0.051  10.846
  160   3HB   ALA  19          3HB       ALA  19   7.056  -0.361  12.013
  161    H    ARG  20           H        ARG  20   4.465   3.243  12.013
  162    HA   ARG  20           HA       ARG  20   6.457   4.085  10.314
  163   1HB   ARG  20          1HB       ARG  20   4.013   4.700  10.281
  164   2HB   ARG  20          2HB       ARG  20   4.286   5.807  11.654
  165   1HG   ARG  20          1HG       ARG  20   5.573   7.315  10.282
  166   2HG   ARG  20          2HG       ARG  20   5.923   6.041   9.064
  167   1HD   ARG  20          1HD       ARG  20   4.256   7.706   8.195
  168   2HD   ARG  20          2HD       ARG  20   3.600   6.026   8.261
  169    HE   ARG  20           HE       ARG  20   2.404   6.589  10.343
  170   1HH1  ARG  20          1HH1      ARG  20   3.556   9.410   8.439
  171   2HH1  ARG  20          2HH1      ARG  20   2.344  10.474   9.043
  172   1HH2  ARG  20          1HH2      ARG  20   0.779   8.049  11.135
  173   2HH2  ARG  20          2HH2      ARG  20   0.746   9.690  10.610
  174    H    GLU  21           H        GLU  21   5.886   4.882  13.750
  175    HA   GLU  21           HA       GLU  21   7.530   7.134  13.862
  176   1HB   GLU  21          1HB       GLU  21   5.719   6.547  15.500
  177   2HB   GLU  21          2HB       GLU  21   6.750   5.220  16.131
  178   1HG   GLU  21          1HG       GLU  21   8.473   6.922  16.858
  179   2HG   GLU  21          2HG       GLU  21   7.472   8.236  16.136
  180    H    SER  22           H        SER  22   8.148   3.642  14.342
  181    HA   SER  22           HA       SER  22  10.709   3.928  15.471
  182   1HB   SER  22          1HB       SER  22   9.476   1.538  13.959
  183   2HB   SER  22          2HB       SER  22  10.910   1.471  15.057
  184    HG   SER  22           HG       SER  22   9.602   1.961  16.747
  185    H    ILE  23           H        ILE  23   9.462   3.532  12.142
  186    HA   ILE  23           HA       ILE  23  11.978   2.973  10.991
  187    HB   ILE  23           HB       ILE  23   9.296   3.779   9.798
  188   1HG1  ILE  23          1HG1      ILE  23  10.796   1.077   9.890
  189   2HG1  ILE  23          2HG1      ILE  23   9.514   1.545  11.044
  190   1HG2  ILE  23          1HG2      ILE  23  11.884   2.845   8.371
  191   2HG2  ILE  23          2HG2      ILE  23  10.273   3.010   7.589
  192   3HG2  ILE  23          3HG2      ILE  23  11.105   4.464   8.205
  193   1HD1  ILE  23          1HD1      ILE  23   7.873   1.765   9.135
  194   2HD1  ILE  23          2HD1      ILE  23   9.145   1.152   8.007
  195   3HD1  ILE  23          3HD1      ILE  23   8.537   0.103   9.336
  196    H    LYS  24           H        LYS  24  10.014   6.011  11.398
  197    HA   LYS  24           HA       LYS  24  11.801   7.486   9.771
  198   1HB   LYS  24          1HB       LYS  24  10.624   9.491  10.414
  199   2HB   LYS  24          2HB       LYS  24   9.445   8.200  10.031
  200   1HG   LYS  24          1HG       LYS  24   9.029   7.778  12.408
  201   2HG   LYS  24          2HG       LYS  24  10.289   8.942  12.916
  202   1HD   LYS  24          1HD       LYS  24   7.783   9.720  11.312
  203   2HD   LYS  24          2HD       LYS  24   7.921   9.769  13.107
  204   1HE   LYS  24          1HE       LYS  24   9.853  11.387  12.924
  205   2HE   LYS  24          2HE       LYS  24   9.647  11.416  11.127
  206   1HZ   LYS  24          1HZ       LYS  24   7.610  12.216  13.140
  207   2HZ   LYS  24          2HZ       LYS  24   8.566  13.252  12.197
  208   3HZ   LYS  24          3HZ       LYS  24   7.417  12.249  11.453
  209    H    ARG  25           H        ARG  25  12.166   6.356  12.988
  210    HA   ARG  25           HA       ARG  25  13.696   8.584  13.927
  211   1HB   ARG  25          1HB       ARG  25  12.726   5.998  14.995
  212   2HB   ARG  25          2HB       ARG  25  14.434   6.258  15.453
  213   1HG   ARG  25          1HG       ARG  25  12.166   8.263  15.964
  214   2HG   ARG  25          2HG       ARG  25  12.818   7.079  17.152
  215   1HD   ARG  25          1HD       ARG  25  15.105   8.170  16.993
  216   2HD   ARG  25          2HD       ARG  25  14.431   9.382  15.845
  217    HE   ARG  25           HE       ARG  25  13.118  10.357  17.566
  218   1HH1  ARG  25          1HH1      ARG  25  15.067   7.632  18.853
  219   2HH1  ARG  25          2HH1      ARG  25  14.887   8.109  20.500
  220   1HH2  ARG  25          1HH2      ARG  25  12.884  10.972  19.801
  221   2HH2  ARG  25          2HH2      ARG  25  13.621  10.039  21.047
  222    H    GLU  26           H        GLU  26  14.331   5.363  12.465
  223    HA   GLU  26           HA       GLU  26  17.203   5.854  12.658
  224   1HB   GLU  26          1HB       GLU  26  15.646   3.320  11.920
  225   2HB   GLU  26          2HB       GLU  26  17.430   3.450  12.147
  226   1HG   GLU  26          1HG       GLU  26  17.063   4.128  14.551
  227   2HG   GLU  26          2HG       GLU  26  15.285   3.925  14.329
  228    H    ASN  27           H        ASN  27  15.114   7.001  10.517
  229    HA   ASN  27           HA       ASN  27  16.965   6.506   8.320
  230   1HB   ASN  27          1HB       ASN  27  13.886   6.405   8.132
  231   2HB   ASN  27          2HB       ASN  27  14.928   6.783   6.714
  232   2HD2  ASN  27          2HD2      ASN  27  14.002   4.201   9.022
  233   1HD2  ASN  27          1HD2      ASN  27  14.708   2.892   8.125
  234    HA   PRO  28           HA       PRO  28  16.862  10.806   8.851
  235   1HB   PRO  28          1HB       PRO  28  18.157  11.761   6.615
  236   2HB   PRO  28          2HB       PRO  28  18.938  10.626   7.773
  237   1HG   PRO  28          1HG       PRO  28  17.547   9.894   5.138
  238   2HG   PRO  28          2HG       PRO  28  19.209   9.427   5.693
  239   1HD   PRO  28          1HD       PRO  28  16.998   7.778   6.058
  240   2HD   PRO  28          2HD       PRO  28  18.332   7.884   7.301
  241    H    GLY  29           H        GLY  29  14.381  10.983   8.790
  242   1HA   GLY  29          1HA       GLY  29  13.778  13.186   7.151
  243   2HA   GLY  29          2HA       GLY  29  12.683  12.287   8.271
  244    H    ILE  30           H        ILE  30  12.300   9.899   7.334
  245    HA   ILE  30           HA       ILE  30  12.286   9.793   4.478
  246    HB   ILE  30           HB       ILE  30  13.176   8.033   5.938
  247   1HG1  ILE  30          1HG1      ILE  30  10.865   7.004   4.199
  248   2HG1  ILE  30          2HG1      ILE  30  12.433   7.622   3.574
  249   1HG2  ILE  30          1HG2      ILE  30  11.491   8.227   7.783
  250   2HG2  ILE  30          2HG2      ILE  30  10.233   7.502   6.720
  251   3HG2  ILE  30          3HG2      ILE  30  11.669   6.536   7.210
  252   1HD1  ILE  30          1HD1      ILE  30  13.647   5.860   4.927
  253   2HD1  ILE  30          2HD1      ILE  30  12.054   5.182   5.436
  254   3HD1  ILE  30          3HD1      ILE  30  12.534   5.167   3.702
  255    H    LYS  31           H        LYS  31  10.453   9.494   3.134
  256    HA   LYS  31           HA       LYS  31   7.912  10.403   4.295
  257   1HB   LYS  31          1HB       LYS  31   9.016  10.435   1.429
  258   2HB   LYS  31          2HB       LYS  31   7.271  10.640   1.786
  259   1HG   LYS  31          1HG       LYS  31   8.202  12.796   1.414
  260   2HG   LYS  31          2HG       LYS  31   7.699  12.659   3.130
  261   1HD   LYS  31          1HD       LYS  31  10.063  12.443   3.843
  262   2HD   LYS  31          2HD       LYS  31  10.600  12.328   2.133
  263   1HE   LYS  31          1HE       LYS  31  11.071  14.578   3.079
  264   2HE   LYS  31          2HE       LYS  31   9.879  14.695   1.721
  265   1HZ   LYS  31          1HZ       LYS  31   9.077  14.574   4.578
  266   2HZ   LYS  31          2HZ       LYS  31   9.399  16.020   3.747
  267   3HZ   LYS  31          3HZ       LYS  31   8.139  15.017   3.224
  268    H    VAL  32           H        VAL  32   5.973   9.296   3.219
  269    HA   VAL  32           HA       VAL  32   6.110   6.756   4.191
  270    HB   VAL  32           HB       VAL  32   4.188   8.348   4.220
  271   1HG1  VAL  32          1HG1      VAL  32   4.255   8.886   1.726
  272   2HG1  VAL  32          2HG1      VAL  32   3.572   7.253   1.392
  273   3HG1  VAL  32          3HG1      VAL  32   2.630   8.443   2.354
  274   1HG2  VAL  32          1HG2      VAL  32   4.012   5.969   4.972
  275   2HG2  VAL  32          2HG2      VAL  32   2.478   6.578   4.250
  276   3HG2  VAL  32          3HG2      VAL  32   3.532   5.472   3.305
  277    H    THR  33           H        THR  33   6.654   7.789   0.889
  278    HA   THR  33           HA       THR  33   5.905   5.410  -0.404
  279    HB   THR  33           HB       THR  33   7.358   6.355  -2.286
  280    HG1  THR  33           HG1      THR  33   8.154   8.361  -1.989
  281   1HG2  THR  33          1HG2      THR  33   4.882   6.748  -2.056
  282   2HG2  THR  33          2HG2      THR  33   5.193   8.179  -1.005
  283   3HG2  THR  33          3HG2      THR  33   5.720   8.191  -2.728
  284    H    GLU  34           H        GLU  34   8.948   6.557   1.110
  285    HA   GLU  34           HA       GLU  34  10.296   4.126   0.256
  286   1HB   GLU  34          1HB       GLU  34  11.307   6.652   1.615
  287   2HB   GLU  34          2HB       GLU  34  12.332   5.201   1.343
  288   1HG   GLU  34          1HG       GLU  34  10.918   6.781  -0.904
  289   2HG   GLU  34          2HG       GLU  34  12.635   6.995  -0.409
  290    H    VAL  35           H        VAL  35   8.305   5.097   2.844
  291    HA   VAL  35           HA       VAL  35   9.557   3.380   4.807
  292    HB   VAL  35           HB       VAL  35   6.792   4.675   4.681
  293   1HG1  VAL  35          1HG1      VAL  35   8.091   2.982   6.922
  294   2HG1  VAL  35          2HG1      VAL  35   6.597   3.971   7.104
  295   3HG1  VAL  35          3HG1      VAL  35   6.603   2.559   5.998
  296   1HG2  VAL  35          1HG2      VAL  35   8.786   6.224   5.050
  297   2HG2  VAL  35          2HG2      VAL  35   7.727   6.114   6.497
  298   3HG2  VAL  35          3HG2      VAL  35   9.285   5.210   6.443
  299    H    ALA  36           H        ALA  36   7.149   3.261   2.171
  300    HA   ALA  36           HA       ALA  36   6.275   0.625   2.711
  301   1HB   ALA  36          1HB       ALA  36   5.284   0.704   0.423
  302   2HB   ALA  36          2HB       ALA  36   6.194   2.224   0.083
  303   3HB   ALA  36          3HB       ALA  36   4.906   2.206   1.339
  304    H    LYS  37           H        LYS  37   9.021   2.061   1.008
  305    HA   LYS  37           HA       LYS  37   9.769  -0.203  -0.501
  306   1HB   LYS  37          1HB       LYS  37  10.491   2.224  -0.891
  307   2HB   LYS  37          2HB       LYS  37  11.471   2.122   0.595
  308   1HG   LYS  37          1HG       LYS  37  13.019   1.858  -1.043
  309   2HG   LYS  37          2HG       LYS  37  12.755   0.149  -0.597
  310   1HD   LYS  37          1HD       LYS  37  11.600  -0.327  -2.623
  311   2HD   LYS  37          2HD       LYS  37  11.087   1.376  -2.860
  312   1HE   LYS  37          1HE       LYS  37  14.014   0.423  -3.152
  313   2HE   LYS  37          2HE       LYS  37  12.855   0.672  -4.523
  314   1HZ   LYS  37          1HZ       LYS  37  13.680   2.770  -2.571
  315   2HZ   LYS  37          2HZ       LYS  37  14.294   2.571  -4.143
  316   3HZ   LYS  37          3HZ       LYS  37  12.661   2.972  -3.900
  317    H    ARG  38           H        ARG  38  10.906   1.222   2.618
  318    HA   ARG  38           HA       ARG  38  12.868  -0.763   3.010
  319   1HB   ARG  38          1HB       ARG  38  12.930   1.704   3.747
  320   2HB   ARG  38          2HB       ARG  38  11.732   1.294   5.010
  321   1HG   ARG  38          1HG       ARG  38  13.934   1.411   5.991
  322   2HG   ARG  38          2HG       ARG  38  13.431  -0.315   6.016
  323   1HD   ARG  38          1HD       ARG  38  14.901  -0.788   4.026
  324   2HD   ARG  38          2HD       ARG  38  15.319   0.982   3.924
  325    HE   ARG  38           HE       ARG  38  15.889  -0.062   6.576
  326   1HH1  ARG  38          1HH1      ARG  38  17.103  -0.121   3.209
  327   2HH1  ARG  38          2HH1      ARG  38  18.755  -0.339   3.654
  328   1HH2  ARG  38          1HH2      ARG  38  18.144  -0.367   7.168
  329   2HH2  ARG  38          2HH2      ARG  38  19.354  -0.490   5.947
  330    H    GLY  39           H        GLY  39   9.492  -0.393   3.959
  331   1HA   GLY  39          1HA       GLY  39   8.263  -1.350   5.519
  332   2HA   GLY  39          2HA       GLY  39   9.695  -2.228   6.168
  333    H    GLY  40           H        GLY  40   9.757  -2.778   2.887
  334   1HA   GLY  40          1HA       GLY  40   9.090  -4.384   1.541
  335   2HA   GLY  40          2HA       GLY  40   7.709  -4.742   2.653
  336    H    GLU  41           H        GLU  41  11.176  -4.676   3.480
  337    HA   GLU  41           HA       GLU  41  11.558  -7.480   3.404
  338   1HB   GLU  41          1HB       GLU  41  13.173  -5.279   4.846
  339   2HB   GLU  41          2HB       GLU  41  13.659  -7.000   4.692
  340   1HG   GLU  41          1HG       GLU  41  14.920  -5.895   3.034
  341   2HG   GLU  41          2HG       GLU  41  13.596  -6.723   2.141
  342    H    LEU  42           H        LEU  42  10.628  -5.071   5.862
  343    HA   LEU  42           HA       LEU  42  10.955  -6.772   8.084
  344   1HB   LEU  42          1HB       LEU  42   9.353  -4.193   7.677
  345   2HB   LEU  42          2HB       LEU  42   9.510  -5.003   9.274
  346    HG   LEU  42           HG       LEU  42  11.896  -3.989   7.619
  347   1HD1  LEU  42          1HD1      LEU  42  10.470  -2.069   8.268
  348   2HD1  LEU  42          2HD1      LEU  42  10.456  -2.628   9.983
  349   3HD1  LEU  42          3HD1      LEU  42  11.996  -2.078   9.222
  350   1HD2  LEU  42          1HD2      LEU  42  11.691  -4.911  10.562
  351   2HD2  LEU  42          2HD2      LEU  42  12.522  -5.794   9.228
  352   3HD2  LEU  42          3HD2      LEU  42  13.154  -4.204   9.782
  353    H    TRP  43           H        TRP  43   8.080  -5.850   6.094
  354    HA   TRP  43           HA       TRP  43   6.138  -7.020   7.633
  355   1HB   TRP  43          1HB       TRP  43   5.515  -5.525   5.866
  356   2HB   TRP  43          2HB       TRP  43   6.359  -6.514   4.627
  357    HD1  TRP  43           HD1      TRP  43   4.910  -8.343   3.383
  358    HE1  TRP  43           HE1      TRP  43   2.541  -9.282   3.622
  359    HE3  TRP  43           HE3      TRP  43   3.577  -5.926   7.670
  360    HZ2  TRP  43           HZ2      TRP  43   0.360  -9.063   5.461
  361    HZ3  TRP  43           HZ3      TRP  43   1.347  -6.364   8.648
  362    HH2  TRP  43           HH2      TRP  43  -0.231  -7.916   7.569
  363    H    ARG  44           H        ARG  44   8.378  -8.580   5.349
  364    HA   ARG  44           HA       ARG  44   6.944 -10.839   4.779
  365   1HB   ARG  44          1HB       ARG  44   9.079 -10.031   3.665
  366   2HB   ARG  44          2HB       ARG  44  10.000 -10.683   5.059
  367   1HG   ARG  44          1HG       ARG  44   9.077 -12.985   4.535
  368   2HG   ARG  44          2HG       ARG  44   8.148 -12.270   3.167
  369   1HD   ARG  44          1HD       ARG  44  10.340 -11.576   2.079
  370   2HD   ARG  44          2HD       ARG  44  11.233 -12.388   3.442
  371    HE   ARG  44           HE       ARG  44   9.269 -14.172   2.218
  372   1HH1  ARG  44          1HH1      ARG  44  12.527 -12.768   1.711
  373   2HH1  ARG  44          2HH1      ARG  44  13.071 -14.046   0.689
  374   1HH2  ARG  44          1HH2      ARG  44  10.023 -15.892   0.821
  375   2HH2  ARG  44          2HH2      ARG  44  11.618 -15.855   0.172
  376    H    ALA  45           H        ALA  45   9.326 -10.310   7.476
  377    HA   ALA  45           HA       ALA  45   7.730 -12.059   9.086
  378   1HB   ALA  45          1HB       ALA  45   9.340 -13.766   8.188
  379   2HB   ALA  45          2HB       ALA  45  10.721 -12.702   8.634
  380   3HB   ALA  45          3HB       ALA  45   9.680 -13.426   9.922
  381    H    MET  46           H        MET  46   7.335 -10.559  10.637
  382    HA   MET  46           HA       MET  46   9.654  -9.189  11.805
  383   1HB   MET  46          1HB       MET  46   7.900  -7.356  12.516
  384   2HB   MET  46          2HB       MET  46   8.720  -7.310  10.938
  385   1HG   MET  46          1HG       MET  46   6.640  -6.713  10.333
  386   2HG   MET  46          2HG       MET  46   6.650  -8.430   9.887
  387   1HE   MET  46          1HE       MET  46   4.325  -8.419   9.441
  388   2HE   MET  46          2HE       MET  46   2.972  -7.908  10.507
  389   3HE   MET  46          3HE       MET  46   4.120  -6.687   9.856
  390    H    LYS  47           H        LYS  47   6.187 -10.050  12.372
  391    HA   LYS  47           HA       LYS  47   6.958 -11.429  14.782
  392   1HB   LYS  47          1HB       LYS  47   6.636  -9.000  15.473
  393   2HB   LYS  47          2HB       LYS  47   4.996  -9.028  14.780
  394   1HG   LYS  47          1HG       LYS  47   4.869  -9.234  17.183
  395   2HG   LYS  47          2HG       LYS  47   4.367 -10.813  16.494
  396   1HD   LYS  47          1HD       LYS  47   6.612 -11.774  16.986
  397   2HD   LYS  47          2HD       LYS  47   7.182 -10.188  17.606
  398   1HE   LYS  47          1HE       LYS  47   4.880 -11.877  18.824
  399   2HE   LYS  47          2HE       LYS  47   6.575 -11.787  19.455
  400   1HZ   LYS  47          1HZ       LYS  47   6.255  -9.423  19.797
  401   2HZ   LYS  47          2HZ       LYS  47   4.656  -9.528  19.235
  402   3HZ   LYS  47          3HZ       LYS  47   5.113 -10.342  20.653
  403    H    ASP  48           H        ASP  48   3.696 -10.190  14.133
  404    HA   ASP  48           HA       ASP  48   2.986 -12.756  12.870
  405   1HB   ASP  48          1HB       ASP  48   1.359 -11.031  14.854
  406   2HB   ASP  48          2HB       ASP  48   0.701 -12.443  13.941
  407    H    LYS  49           H        LYS  49   1.969 -12.504  10.940
  408    HA   LYS  49           HA       LYS  49   1.327  -9.794  10.055
  409   1HB   LYS  49          1HB       LYS  49   1.332 -12.444   8.488
  410   2HB   LYS  49          2HB       LYS  49   0.840 -10.843   7.853
  411   1HG   LYS  49          1HG       LYS  49   2.976 -10.941   7.039
  412   2HG   LYS  49          2HG       LYS  49   3.178  -9.980   8.528
  413   1HD   LYS  49          1HD       LYS  49   5.042 -11.495   8.413
  414   2HD   LYS  49          2HD       LYS  49   3.984 -12.111   9.715
  415   1HE   LYS  49          1HE       LYS  49   4.835 -13.988   8.332
  416   2HE   LYS  49          2HE       LYS  49   3.049 -13.846   8.084
  417   1HZ   LYS  49          1HZ       LYS  49   3.525 -12.589   6.060
  418   2HZ   LYS  49          2HZ       LYS  49   5.195 -12.815   6.303
  419   3HZ   LYS  49          3HZ       LYS  49   4.185 -14.154   6.022
  420    H    SER  50           H        SER  50  -0.017 -12.841  11.176
  421    HA   SER  50           HA       SER  50  -2.533 -12.744  10.054
  422   1HB   SER  50          1HB       SER  50  -3.092 -14.441  11.899
  423   2HB   SER  50          2HB       SER  50  -1.672 -14.838  10.868
  424    HG   SER  50           HG       SER  50  -1.274 -15.122  13.082
  425    H    GLU  51           H        GLU  51  -1.208 -10.980  12.742
  426    HA   GLU  51           HA       GLU  51  -3.508 -10.385  14.203
  427   1HB   GLU  51          1HB       GLU  51  -1.181  -9.993  14.997
  428   2HB   GLU  51          2HB       GLU  51  -0.911  -8.801  13.685
  429   1HG   GLU  51          1HG       GLU  51  -2.596  -7.255  14.715
  430   2HG   GLU  51          2HG       GLU  51  -2.961  -8.486  15.984
  431    H    TRP  52           H        TRP  52  -1.881  -8.773  11.434
  432    HA   TRP  52           HA       TRP  52  -3.759  -6.620  11.382
  433   1HB   TRP  52          1HB       TRP  52  -1.608  -7.337   9.310
  434   2HB   TRP  52          2HB       TRP  52  -2.391  -5.736   9.572
  435    HD1  TRP  52           HD1      TRP  52   0.630  -7.765  10.637
  436    HE1  TRP  52           HE1      TRP  52   1.883  -6.582  12.532
  437    HE3  TRP  52           HE3      TRP  52  -2.902  -4.288  11.805
  438    HZ2  TRP  52           HZ2      TRP  52   1.467  -4.317  14.237
  439    HZ3  TRP  52           HZ3      TRP  52  -2.429  -2.629  13.577
  440    HH2  TRP  52           HH2      TRP  52  -0.272  -2.644  14.778
  441    H    GLU  53           H        GLU  53  -3.203  -9.687   9.679
  442    HA   GLU  53           HA       GLU  53  -4.814  -9.120   7.429
  443   1HB   GLU  53          1HB       GLU  53  -3.815 -11.725   8.676
  444   2HB   GLU  53          2HB       GLU  53  -4.728 -11.678   7.127
  445   1HG   GLU  53          1HG       GLU  53  -3.004 -10.423   5.988
  446   2HG   GLU  53          2HG       GLU  53  -2.113 -10.096   7.515
  447    H    ALA  54           H        ALA  54  -5.481 -10.338  10.705
  448    HA   ALA  54           HA       ALA  54  -8.033 -11.405  10.122
  449   1HB   ALA  54          1HB       ALA  54  -6.791 -12.048  12.190
  450   2HB   ALA  54          2HB       ALA  54  -8.379 -11.318  12.613
  451   3HB   ALA  54          3HB       ALA  54  -6.865 -10.347  12.773
  452    H    LYS  55           H        LYS  55  -6.796  -8.215  11.168
  453    HA   LYS  55           HA       LYS  55  -9.325  -7.039  11.621
  454   1HB   LYS  55          1HB       LYS  55  -6.549  -5.853  11.045
  455   2HB   LYS  55          2HB       LYS  55  -7.963  -4.852  11.502
  456   1HG   LYS  55          1HG       LYS  55  -6.770  -7.106  13.240
  457   2HG   LYS  55          2HG       LYS  55  -6.316  -5.378  13.372
  458   1HD   LYS  55          1HD       LYS  55  -9.166  -6.475  13.815
  459   2HD   LYS  55          2HD       LYS  55  -7.954  -6.159  15.101
  460   1HE   LYS  55          1HE       LYS  55  -7.890  -3.721  14.477
  461   2HE   LYS  55          2HE       LYS  55  -9.153  -4.013  13.213
  462   1HZ   LYS  55          1HZ       LYS  55  -9.461  -4.493  16.130
  463   2HZ   LYS  55          2HZ       LYS  55 -10.074  -3.178  15.250
  464   3HZ   LYS  55          3HZ       LYS  55 -10.644  -4.746  14.938
  465    H    ALA  56           H        ALA  56  -7.085  -7.217   8.828
  466    HA   ALA  56           HA       ALA  56  -8.435  -5.305   7.265
  467   1HB   ALA  56          1HB       ALA  56  -6.994  -6.166   5.399
  468   2HB   ALA  56          2HB       ALA  56  -6.040  -5.876   6.896
  469   3HB   ALA  56          3HB       ALA  56  -6.499  -7.556   6.441
  470    H    ALA  57           H        ALA  57  -8.645  -8.872   7.570
  471    HA   ALA  57           HA       ALA  57 -10.244  -9.262   5.280
  472   1HB   ALA  57          1HB       ALA  57 -10.672 -11.543   6.246
  473   2HB   ALA  57          2HB       ALA  57  -9.903 -11.015   7.794
  474   3HB   ALA  57          3HB       ALA  57  -8.923 -11.126   6.289
  475    H    LYS  58           H        LYS  58 -10.909  -8.661   8.749
  476    HA   LYS  58           HA       LYS  58 -13.684  -9.143   8.580
  477   1HB   LYS  58          1HB       LYS  58 -12.407  -9.232  10.726
  478   2HB   LYS  58          2HB       LYS  58 -12.098  -7.468  10.616
  479   1HG   LYS  58          1HG       LYS  58 -14.544  -7.013  10.795
  480   2HG   LYS  58          2HG       LYS  58 -14.889  -8.779  10.757
  481   1HD   LYS  58          1HD       LYS  58 -13.714  -9.074  12.932
  482   2HD   LYS  58          2HD       LYS  58 -13.230  -7.344  12.926
  483   1HE   LYS  58          1HE       LYS  58 -15.169  -7.713  14.452
  484   2HE   LYS  58          2HE       LYS  58 -15.629  -6.634  13.073
  485   1HZ   LYS  58          1HZ       LYS  58 -16.192  -9.549  13.271
  486   2HZ   LYS  58          2HZ       LYS  58 -17.294  -8.285  13.542
  487   3HZ   LYS  58          3HZ       LYS  58 -16.636  -8.520  11.995
  488    H    ALA  59           H        ALA  59 -11.589  -6.251   8.195
  489    HA   ALA  59           HA       ALA  59 -13.649  -4.360   8.143
  490   1HB   ALA  59          1HB       ALA  59 -10.852  -4.244   6.853
  491   2HB   ALA  59          2HB       ALA  59 -11.938  -2.828   7.138
  492   3HB   ALA  59          3HB       ALA  59 -11.257  -3.738   8.532
  493    H    LYS  60           H        LYS  60 -12.199  -6.435   5.627
  494    HA   LYS  60           HA       LYS  60 -13.364  -5.079   3.441
  495   1HB   LYS  60          1HB       LYS  60 -11.334  -6.583   3.352
  496   2HB   LYS  60          2HB       LYS  60 -12.401  -8.004   3.549
  497   1HG   LYS  60          1HG       LYS  60 -12.728  -5.939   1.272
  498   2HG   LYS  60          2HG       LYS  60 -11.558  -7.297   1.178
  499   1HD   LYS  60          1HD       LYS  60 -13.387  -8.956   1.404
  500   2HD   LYS  60          2HD       LYS  60 -14.607  -7.635   1.458
  501   1HE   LYS  60          1HE       LYS  60 -13.912  -6.878  -0.842
  502   2HE   LYS  60          2HE       LYS  60 -12.712  -8.231  -0.902
  503   1HZ   LYS  60          1HZ       LYS  60 -14.637  -9.745  -0.554
  504   2HZ   LYS  60          2HZ       LYS  60 -15.678  -8.417  -0.784
  505   3HZ   LYS  60          3HZ       LYS  60 -14.629  -8.898  -2.026
  506    H    ASP  61           H        ASP  61 -14.230  -8.018   5.348
  507    HA   ASP  61           HA       ASP  61 -16.434  -8.721   3.814
  508   1HB   ASP  61          1HB       ASP  61 -15.144 -10.217   5.434
  509   2HB   ASP  61          2HB       ASP  61 -15.921  -9.340   6.795
  510    H    ASP  62           H        ASP  62 -16.089  -6.638   6.702
  511    HA   ASP  62           HA       ASP  62 -18.797  -6.301   7.251
  512   1HB   ASP  62          1HB       ASP  62 -16.864  -5.793   8.821
  513   2HB   ASP  62          2HB       ASP  62 -16.487  -4.334   7.847
  514    H    TYR  63           H        TYR  63 -16.457  -4.361   5.297
  515    HA   TYR  63           HA       TYR  63 -18.170  -2.316   4.573
  516   1HB   TYR  63          1HB       TYR  63 -15.698  -2.187   4.309
  517   2HB   TYR  63          2HB       TYR  63 -15.734  -3.520   3.106
  518    HD1  TYR  63           HD1      TYR  63 -17.291  -0.101   3.688
  519    HD2  TYR  63           HD2      TYR  63 -15.684  -2.912   0.861
  520    HE1  TYR  63           HE1      TYR  63 -17.428   1.608   1.921
  521    HE2  TYR  63           HE2      TYR  63 -15.836  -1.213  -0.919
  522    HH   TYR  63           HH       TYR  63 -16.330   0.937  -1.433
  523    H    ASP  64           H        ASP  64 -17.443  -5.438   2.944
  524    HA   ASP  64           HA       ASP  64 -18.728  -4.988   0.570
  525   1HB   ASP  64          1HB       ASP  64 -17.059  -6.841   1.290
  526   2HB   ASP  64          2HB       ASP  64 -18.453  -7.730   1.977
  527    H    ARG  65           H        ARG  65 -19.951  -6.467   3.605
  528    HA   ARG  65           HA       ARG  65 -22.498  -7.099   2.542
  529   1HB   ARG  65          1HB       ARG  65 -21.310  -8.316   4.426
  530   2HB   ARG  65          2HB       ARG  65 -21.574  -6.884   5.470
  531   1HG   ARG  65          1HG       ARG  65 -24.072  -7.191   5.174
  532   2HG   ARG  65          2HG       ARG  65 -23.751  -8.635   4.150
  533   1HD   ARG  65          1HD       ARG  65 -22.619  -9.771   6.093
  534   2HD   ARG  65          2HD       ARG  65 -22.938  -8.332   7.140
  535    HE   ARG  65           HE       ARG  65 -24.855 -10.409   6.282
  536   1HH1  ARG  65          1HH1      ARG  65 -24.574  -7.009   7.396
  537   2HH1  ARG  65          2HH1      ARG  65 -26.228  -6.872   7.827
  538   1HH2  ARG  65          1HH2      ARG  65 -27.080 -10.232   7.009
  539   2HH2  ARG  65          2HH2      ARG  65 -27.648  -8.758   7.702
  540    H    ALA  66           H        ALA  66 -21.133  -4.402   4.492
  541    HA   ALA  66           HA       ALA  66 -23.615  -3.440   5.348
  542   1HB   ALA  66          1HB       ALA  66 -21.545  -3.013   6.637
  543   2HB   ALA  66          2HB       ALA  66 -22.332  -1.461   6.191
  544   3HB   ALA  66          3HB       ALA  66 -20.883  -2.039   5.276
  545    H    VAL  67           H        VAL  67 -21.617  -2.620   2.456
  546    HA   VAL  67           HA       VAL  67 -22.977  -0.185   1.996
  547    HB   VAL  67           HB       VAL  67 -22.043  -0.218  -0.291
  548   1HG1  VAL  67          1HG1      VAL  67 -20.095  -0.732   2.051
  549   2HG1  VAL  67          2HG1      VAL  67 -19.689   0.050   0.481
  550   3HG1  VAL  67          3HG1      VAL  67 -20.867   0.830   1.597
  551   1HG2  VAL  67          1HG2      VAL  67 -20.849  -2.942   0.579
  552   2HG2  VAL  67          2HG2      VAL  67 -22.032  -2.663  -0.747
  553   3HG2  VAL  67          3HG2      VAL  67 -20.369  -1.994  -0.870
  554    H    LYS  68           H        LYS  68 -23.806  -3.526   1.361
  555    HA   LYS  68           HA       LYS  68 -25.615  -3.056  -0.754
  556   1HB   LYS  68          1HB       LYS  68 -24.604  -5.265  -0.275
  557   2HB   LYS  68          2HB       LYS  68 -25.455  -5.355   1.297
  558   1HG   LYS  68          1HG       LYS  68 -27.066  -5.007  -1.277
  559   2HG   LYS  68          2HG       LYS  68 -26.329  -6.602  -0.908
  560   1HD   LYS  68          1HD       LYS  68 -27.495  -6.774   1.231
  561   2HD   LYS  68          2HD       LYS  68 -28.240  -5.158   1.033
  562   1HE   LYS  68          1HE       LYS  68 -28.737  -7.574  -0.839
  563   2HE   LYS  68          2HE       LYS  68 -29.841  -7.009   0.479
  564   1HZ   LYS  68          1HZ       LYS  68 -30.019  -4.893  -0.661
  565   2HZ   LYS  68          2HZ       LYS  68 -29.015  -5.448  -1.912
  566   3HZ   LYS  68          3HZ       LYS  68 -30.522  -6.184  -1.644
  567    H    GLU  69           H        GLU  69 -25.855  -3.179   2.820
  568    HA   GLU  69           HA       GLU  69 -28.684  -2.936   2.873
  569   1HB   GLU  69          1HB       GLU  69 -26.570  -2.520   5.065
  570   2HB   GLU  69          2HB       GLU  69 -28.342  -2.697   5.339
  571   1HG   GLU  69          1HG       GLU  69 -28.280  -5.020   4.435
  572   2HG   GLU  69          2HG       GLU  69 -26.520  -4.869   4.081
  573    H    PHE  70           H        PHE  70 -25.894  -0.749   3.117
  574    HA   PHE  70           HA       PHE  70 -27.205   1.499   4.116
  575   1HB   PHE  70          1HB       PHE  70 -24.724   1.113   4.248
  576   2HB   PHE  70          2HB       PHE  70 -24.620   1.179   2.456
  577    HD1  PHE  70           HD1      PHE  70 -26.204   3.401   5.131
  578    HD2  PHE  70           HD2      PHE  70 -23.515   3.078   1.786
  579    HE1  PHE  70           HE1      PHE  70 -25.741   5.823   5.260
  580    HE2  PHE  70           HE2      PHE  70 -23.041   5.497   1.937
  581    HZ   PHE  70           HZ       PHE  70 -24.156   6.877   3.672
  582    H    GLU  71           H        GLU  71 -26.358   0.465   0.747
  583    HA   GLU  71           HA       GLU  71 -27.549   2.870  -0.324
  584   1HB   GLU  71          1HB       GLU  71 -26.204   0.486  -1.694
  585   2HB   GLU  71          2HB       GLU  71 -26.765   1.985  -2.523
  586   1HG   GLU  71          1HG       GLU  71 -25.198   3.363  -1.147
  587   2HG   GLU  71          2HG       GLU  71 -24.595   1.882  -0.317
  588    H    ALA  72           H        ALA  72 -28.991   0.208   0.919
  589    HA   ALA  72           HA       ALA  72 -30.944  -0.096  -1.252
  590   1HB   ALA  72          1HB       ALA  72 -31.904  -1.935   0.145
  591   2HB   ALA  72          2HB       ALA  72 -30.647  -1.620   1.404
  592   3HB   ALA  72          3HB       ALA  72 -30.175  -2.227  -0.224
  593    H    ASN  73           H        ASN  73 -30.735   2.465  -0.064
  594    HA   ASN  73           HA       ASN  73 -33.358   2.614   1.243
  595   1HB   ASN  73          1HB       ASN  73 -30.828   4.261   1.942
  596   2HB   ASN  73          2HB       ASN  73 -32.503   4.716   2.448
  597   2HD2  ASN  73          2HD2      ASN  73 -33.747   2.661   3.477
  598   1HD2  ASN  73          1HD2      ASN  73 -32.848   1.831   4.705
  599    H    GLY  74           H        GLY  74 -31.265   5.374   0.404
  600   1HA   GLY  74          1HA       GLY  74 -33.122   6.500  -1.245
  601   2HA   GLY  74          2HA       GLY  74 -31.951   5.559  -2.274

  No H/Q in entry =         601
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1 -23.751   2.891  17.956
    2    H2   MET   1           H2       MET   1 -22.308   2.263  17.319
    3    H3   MET   1           H3       MET   1 -22.273   3.182  18.750
    4    HA   MET   1           HA       MET   1 -22.983   5.102  17.576
    5   1HB   MET   1          1HB       MET   1 -20.975   5.588  16.243
    6   2HB   MET   1          2HB       MET   1 -20.515   4.697  17.719
    7   1HG   MET   1          1HG       MET   1 -20.833   3.439  14.915
    8   2HG   MET   1          2HG       MET   1 -19.307   4.066  15.580
    9   1HE   MET   1          1HE       MET   1 -19.134   1.380  14.390
   10   2HE   MET   1          2HE       MET   1 -19.651  -0.067  15.323
   11   3HE   MET   1          3HE       MET   1 -20.885   1.025  14.608
   12    H    SER   2           H        SER   2 -23.438   6.208  15.520
   13    HA   SER   2           HA       SER   2 -23.743   4.587  13.178
   14   1HB   SER   2          1HB       SER   2 -26.042   4.374  14.330
   15   2HB   SER   2          2HB       SER   2 -26.191   6.166  14.252
   16    HG   SER   2           HG       SER   2 -26.104   6.000  12.023
   17    H    ASP   3           H        ASP   3 -21.820   6.322  13.946
   18    HA   ASP   3           HA       ASP   3 -22.564   9.011  13.067
   19   1HB   ASP   3          1HB       ASP   3 -20.142   7.957  14.664
   20   2HB   ASP   3          2HB       ASP   3 -20.421   9.692  14.226
   21    H    LYS   4           H        LYS   4 -19.238   8.605  12.944
   22    HA   LYS   4           HA       LYS   4 -19.317   8.537  10.062
   23   1HB   LYS   4          1HB       LYS   4 -18.013  10.263  11.386
   24   2HB   LYS   4          2HB       LYS   4 -16.930   8.952  11.947
   25   1HG   LYS   4          1HG       LYS   4 -16.329   8.491   9.514
   26   2HG   LYS   4          2HG       LYS   4 -17.422   9.838   9.035
   27   1HD   LYS   4          1HD       LYS   4 -15.997  11.400  10.492
   28   2HD   LYS   4          2HD       LYS   4 -14.894  10.019  10.796
   29   1HE   LYS   4          1HE       LYS   4 -13.930  11.428   9.026
   30   2HE   LYS   4          2HE       LYS   4 -14.458   9.865   8.280
   31   1HZ   LYS   4          1HZ       LYS   4 -15.979  12.423   8.258
   32   2HZ   LYS   4          2HZ       LYS   4 -15.073  11.788   6.973
   33   3HZ   LYS   4          3HZ       LYS   4 -16.456  10.968   7.526
   34    HA   PRO   5           HA       PRO   5 -18.032   4.208  10.739
   35   1HB   PRO   5          1HB       PRO   5 -18.000   3.286   8.105
   36   2HB   PRO   5          2HB       PRO   5 -19.539   3.652   8.975
   37   1HG   PRO   5          1HG       PRO   5 -18.007   5.490   7.056
   38   2HG   PRO   5          2HG       PRO   5 -19.770   5.059   7.025
   39   1HD   PRO   5          1HD       PRO   5 -18.818   7.378   8.228
   40   2HD   PRO   5          2HD       PRO   5 -20.224   6.455   8.936
   41    H    LYS   6           H        LYS   6 -16.110   2.774  10.010
   42    HA   LYS   6           HA       LYS   6 -13.805   4.506   9.488
   43   1HB   LYS   6          1HB       LYS   6 -13.945   1.609  10.496
   44   2HB   LYS   6          2HB       LYS   6 -12.433   2.530  10.171
   45   1HG   LYS   6          1HG       LYS   6 -13.127   4.240  11.882
   46   2HG   LYS   6          2HG       LYS   6 -14.567   3.232  12.275
   47   1HD   LYS   6          1HD       LYS   6 -13.059   1.347  12.961
   48   2HD   LYS   6          2HD       LYS   6 -11.626   2.314  12.475
   49   1HE   LYS   6          1HE       LYS   6 -11.882   2.385  14.936
   50   2HE   LYS   6          2HE       LYS   6 -12.163   4.032  14.241
   51   1HZ   LYS   6          1HZ       LYS   6 -14.530   3.627  14.400
   52   2HZ   LYS   6          2HZ       LYS   6 -14.260   2.084  15.057
   53   3HZ   LYS   6          3HZ       LYS   6 -13.772   3.468  15.911
   54    H    ARG   7           H        ARG   7 -12.326   3.952   7.843
   55    HA   ARG   7           HA       ARG   7 -13.534   2.621   5.569
   56   1HB   ARG   7          1HB       ARG   7 -11.063   4.390   6.009
   57   2HB   ARG   7          2HB       ARG   7 -11.353   3.556   4.450
   58   1HG   ARG   7          1HG       ARG   7 -13.471   4.721   4.119
   59   2HG   ARG   7          2HG       ARG   7 -13.330   5.538   5.716
   60   1HD   ARG   7          1HD       ARG   7 -11.312   6.803   4.956
   61   2HD   ARG   7          2HD       ARG   7 -11.269   5.846   3.424
   62    HE   ARG   7           HE       ARG   7 -12.910   7.189   2.527
   63   1HH1  ARG   7          1HH1      ARG   7 -12.948   7.719   6.072
   64   2HH1  ARG   7          2HH1      ARG   7 -14.077   9.021   6.001
   65   1HH2  ARG   7          1HH2      ARG   7 -14.432   8.949   2.455
   66   2HH2  ARG   7          2HH2      ARG   7 -14.933   9.738   3.901
   67    HA   PRO   8           HA       PRO   8 -10.895  -0.853   6.355
   68   1HB   PRO   8          1HB       PRO   8 -10.538  -2.007   3.857
   69   2HB   PRO   8          2HB       PRO   8 -12.176  -1.877   4.602
   70   1HG   PRO   8          1HG       PRO   8 -10.911   0.030   2.564
   71   2HG   PRO   8          2HG       PRO   8 -12.544  -0.757   2.489
   72   1HD   PRO   8          1HD       PRO   8 -12.143   1.815   3.478
   73   2HD   PRO   8          2HD       PRO   8 -13.408   0.711   4.180
   74    H    LEU   9           H        LEU   9  -8.669  -1.825   5.798
   75    HA   LEU   9           HA       LEU   9  -6.890  -0.038   4.370
   76   1HB   LEU   9          1HB       LEU   9  -6.426  -0.990   7.280
   77   2HB   LEU   9          2HB       LEU   9  -5.124  -0.440   6.187
   78    HG   LEU   9           HG       LEU   9  -6.628   1.746   5.951
   79   1HD1  LEU   9          1HD1      LEU   9  -8.510   0.998   7.457
   80   2HD1  LEU   9          2HD1      LEU   9  -7.342   0.824   8.815
   81   3HD1  LEU   9          3HD1      LEU   9  -7.663   2.446   8.096
   82   1HD2  LEU   9          1HD2      LEU   9  -4.256   1.608   6.739
   83   2HD2  LEU   9          2HD2      LEU   9  -5.216   2.827   7.652
   84   3HD2  LEU   9          3HD2      LEU   9  -4.832   1.233   8.401
   85    H    SER  10           H        SER  10  -4.761  -1.390   4.103
   86    HA   SER  10           HA       SER  10  -5.534  -4.149   3.557
   87   1HB   SER  10          1HB       SER  10  -4.370  -2.721   1.772
   88   2HB   SER  10          2HB       SER  10  -2.910  -2.703   2.822
   89    HG   SER  10           HG       SER  10  -3.013  -4.337   1.151
   90    H    ALA  11           H        ALA  11  -3.572  -5.730   4.090
   91    HA   ALA  11           HA       ALA  11  -3.295  -5.719   6.903
   92   1HB   ALA  11          1HB       ALA  11  -3.497  -7.840   5.584
   93   2HB   ALA  11          2HB       ALA  11  -1.972  -7.826   6.535
   94   3HB   ALA  11          3HB       ALA  11  -1.936  -7.484   4.763
   95    H    TYR  12           H        TYR  12  -1.220  -4.927   4.132
   96    HA   TYR  12           HA       TYR  12   1.183  -4.631   5.567
   97   1HB   TYR  12          1HB       TYR  12   1.064  -5.048   3.077
   98   2HB   TYR  12          2HB       TYR  12   0.264  -3.453   2.855
   99    HD1  TYR  12           HD1      TYR  12   3.288  -4.427   4.970
  100    HD2  TYR  12           HD2      TYR  12   1.790  -2.207   1.602
  101    HE1  TYR  12           HE1      TYR  12   5.508  -3.431   4.641
  102    HE2  TYR  12           HE2      TYR  12   4.017  -1.214   1.270
  103    HH   TYR  12           HH       TYR  12   6.200  -1.205   1.929
  104    H    MET  13           H        MET  13  -1.523  -2.481   4.676
  105    HA   MET  13           HA       MET  13  -0.209  -0.074   5.107
  106   1HB   MET  13          1HB       MET  13  -2.376  -0.608   3.763
  107   2HB   MET  13          2HB       MET  13  -3.231  -0.539   5.324
  108   1HG   MET  13          1HG       MET  13  -3.503   1.610   4.307
  109   2HG   MET  13          2HG       MET  13  -2.314   1.843   5.618
  110   1HE   MET  13          1HE       MET  13  -3.194   1.831   1.895
  111   2HE   MET  13          2HE       MET  13  -1.637   1.913   1.008
  112   3HE   MET  13          3HE       MET  13  -2.106   0.399   1.841
  113    H    LEU  14           H        LEU  14  -2.190  -2.140   7.265
  114    HA   LEU  14           HA       LEU  14  -2.432  -0.315   9.387
  115   1HB   LEU  14          1HB       LEU  14  -2.491  -3.383   9.261
  116   2HB   LEU  14          2HB       LEU  14  -2.850  -2.466  10.766
  117    HG   LEU  14           HG       LEU  14  -4.429  -2.006   8.187
  118   1HD1  LEU  14          1HD1      LEU  14  -4.604  -4.417   8.720
  119   2HD1  LEU  14          2HD1      LEU  14  -5.066  -4.038  10.421
  120   3HD1  LEU  14          3HD1      LEU  14  -6.158  -3.574   9.062
  121   1HD2  LEU  14          1HD2      LEU  14  -4.621  -0.243   9.967
  122   2HD2  LEU  14          2HD2      LEU  14  -6.168  -1.140   9.747
  123   3HD2  LEU  14          3HD2      LEU  14  -5.108  -1.499  11.160
  124    H    TRP  15           H        TRP  15   0.090  -2.674   8.457
  125    HA   TRP  15           HA       TRP  15   1.417  -2.605  10.953
  126   1HB   TRP  15          1HB       TRP  15   1.596  -4.532   9.398
  127   2HB   TRP  15          2HB       TRP  15   2.445  -3.494   8.202
  128    HD1  TRP  15           HD1      TRP  15   3.076  -5.247  11.665
  129    HE1  TRP  15           HE1      TRP  15   5.574  -5.102  12.208
  130    HE3  TRP  15           HE3      TRP  15   4.522  -2.333   7.739
  131    HZ2  TRP  15           HZ2      TRP  15   7.884  -3.778  11.151
  132    HZ3  TRP  15           HZ3      TRP  15   6.860  -1.554   7.623
  133    HH2  TRP  15           HH2      TRP  15   8.509  -2.236   9.315
  134    H    LEU  16           H        LEU  16   1.659  -0.725   7.897
  135    HA   LEU  16           HA       LEU  16   4.124   0.491   8.484
  136   1HB   LEU  16          1HB       LEU  16   1.776   1.440   6.738
  137   2HB   LEU  16          2HB       LEU  16   3.358   2.287   6.812
  138    HG   LEU  16           HG       LEU  16   2.978  -0.607   5.860
  139   1HD1  LEU  16          1HD1      LEU  16   1.871   1.017   4.334
  140   2HD1  LEU  16          2HD1      LEU  16   3.389   1.989   4.244
  141   3HD1  LEU  16          3HD1      LEU  16   3.346   0.318   3.572
  142   1HD2  LEU  16          1HD2      LEU  16   5.443   1.236   5.745
  143   2HD2  LEU  16          2HD2      LEU  16   5.261  -0.231   6.769
  144   3HD2  LEU  16          3HD2      LEU  16   5.307  -0.386   4.982
  145    H    ASN  17           H        ASN  17   0.762   1.283   9.354
  146    HA   ASN  17           HA       ASN  17   1.367   3.937  10.180
  147   1HB   ASN  17          1HB       ASN  17  -1.068   2.126  10.716
  148   2HB   ASN  17          2HB       ASN  17  -0.973   3.865  11.199
  149   2HD2  ASN  17          2HD2      ASN  17  -2.926   2.708   9.367
  150   1HD2  ASN  17          1HD2      ASN  17  -2.717   3.494   7.836
  151    H    SER  18           H        SER  18   1.297   0.751  11.792
  152    HA   SER  18           HA       SER  18   1.295   1.927  14.409
  153   1HB   SER  18          1HB       SER  18   1.714  -0.466  15.191
  154   2HB   SER  18          2HB       SER  18   0.184  -0.180  14.288
  155    HG   SER  18           HG       SER  18   0.958  -1.169  12.570
  156    H    ALA  19           H        ALA  19   3.730   0.599  12.130
  157    HA   ALA  19           HA       ALA  19   5.842   0.890  14.096
  158   1HB   ALA  19          1HB       ALA  19   5.801  -1.090  12.546
  159   2HB   ALA  19          2HB       ALA  19   5.922   0.025  11.140
  160   3HB   ALA  19          3HB       ALA  19   7.285  -0.101  12.317
  161    H    ARG  20           H        ARG  20   4.248   3.247  12.680
  162    HA   ARG  20           HA       ARG  20   5.925   4.323  10.759
  163   1HB   ARG  20          1HB       ARG  20   3.433   4.693  11.112
  164   2HB   ARG  20          2HB       ARG  20   3.831   5.850  12.413
  165   1HG   ARG  20          1HG       ARG  20   4.949   7.327  10.750
  166   2HG   ARG  20          2HG       ARG  20   4.799   6.050   9.485
  167   1HD   ARG  20          1HD       ARG  20   2.288   6.187   9.623
  168   2HD   ARG  20          2HD       ARG  20   2.428   7.491  10.864
  169    HE   ARG  20           HE       ARG  20   3.428   7.658   7.990
  170   1HH1  ARG  20          1HH1      ARG  20   1.927   9.266  10.834
  171   2HH1  ARG  20          2HH1      ARG  20   1.596  10.730   9.985
  172   1HH2  ARG  20          1HH2      ARG  20   2.969   9.678   6.876
  173   2HH2  ARG  20          2HH2      ARG  20   2.199  10.957   7.711
  174    H    GLU  21           H        GLU  21   5.648   5.016  14.283
  175    HA   GLU  21           HA       GLU  21   7.229   7.341  14.189
  176   1HB   GLU  21          1HB       GLU  21   5.545   6.721  16.010
  177   2HB   GLU  21          2HB       GLU  21   6.737   5.525  16.618
  178   1HG   GLU  21          1HG       GLU  21   8.391   7.461  16.956
  179   2HG   GLU  21          2HG       GLU  21   7.115   8.596  16.391
  180    H    SER  22           H        SER  22   7.927   3.876  14.732
  181    HA   SER  22           HA       SER  22  10.495   4.166  15.767
  182   1HB   SER  22          1HB       SER  22   9.284   1.805  14.192
  183   2HB   SER  22          2HB       SER  22  10.731   1.724  15.273
  184    HG   SER  22           HG       SER  22   9.449   2.094  16.990
  185    H    ILE  23           H        ILE  23   9.279   3.729  12.416
  186    HA   ILE  23           HA       ILE  23  11.829   3.373  11.260
  187    HB   ILE  23           HB       ILE  23   9.103   4.084  10.095
  188   1HG1  ILE  23          1HG1      ILE  23  10.726   1.454  10.059
  189   2HG1  ILE  23          2HG1      ILE  23   9.428   1.808  11.237
  190   1HG2  ILE  23          1HG2      ILE  23  11.724   3.330   8.621
  191   2HG2  ILE  23          2HG2      ILE  23  10.101   3.462   7.854
  192   3HG2  ILE  23          3HG2      ILE  23  10.875   4.920   8.532
  193   1HD1  ILE  23          1HD1      ILE  23   7.773   2.051   9.342
  194   2HD1  ILE  23          2HD1      ILE  23   9.066   1.558   8.182
  195   3HD1  ILE  23          3HD1      ILE  23   8.511   0.412   9.452
  196    H    LYS  24           H        LYS  24   9.707   6.230  11.863
  197    HA   LYS  24           HA       LYS  24  11.293   7.956  10.288
  198   1HB   LYS  24          1HB       LYS  24   9.138   8.506  12.379
  199   2HB   LYS  24          2HB       LYS  24  10.004   9.813  11.493
  200   1HG   LYS  24          1HG       LYS  24   9.289   8.857   9.312
  201   2HG   LYS  24          2HG       LYS  24   8.318   7.610  10.162
  202   1HD   LYS  24          1HD       LYS  24   6.936   9.414  11.214
  203   2HD   LYS  24          2HD       LYS  24   7.977  10.661  10.432
  204   1HE   LYS  24          1HE       LYS  24   7.278   9.773   8.148
  205   2HE   LYS  24          2HE       LYS  24   6.144   8.631   8.975
  206   1HZ   LYS  24          1HZ       LYS  24   5.047  10.549   9.951
  207   2HZ   LYS  24          2HZ       LYS  24   6.103  11.602   9.137
  208   3HZ   LYS  24          3HZ       LYS  24   5.041  10.616   8.253
  209    H    ARG  25           H        ARG  25  11.727   6.798  13.589
  210    HA   ARG  25           HA       ARG  25  13.397   9.016  14.337
  211   1HB   ARG  25          1HB       ARG  25  13.012   6.219  15.537
  212   2HB   ARG  25          2HB       ARG  25  14.265   7.366  16.124
  213   1HG   ARG  25          1HG       ARG  25  12.485   9.094  16.518
  214   2HG   ARG  25          2HG       ARG  25  11.237   7.840  16.195
  215   1HD   ARG  25          1HD       ARG  25  12.116   6.460  18.117
  216   2HD   ARG  25          2HD       ARG  25  13.451   7.648  18.361
  217    HE   ARG  25           HE       ARG  25  11.870   9.334  19.064
  218   1HH1  ARG  25          1HH1      ARG  25  10.365   6.094  18.703
  219   2HH1  ARG  25          2HH1      ARG  25   8.899   6.552  19.493
  220   1HH2  ARG  25          1HH2      ARG  25   9.921   9.876  20.232
  221   2HH2  ARG  25          2HH2      ARG  25   8.675   8.699  20.432
  222    H    GLU  26           H        GLU  26  13.885   5.667  13.058
  223    HA   GLU  26           HA       GLU  26  16.749   6.054  13.161
  224   1HB   GLU  26          1HB       GLU  26  15.139   3.622  12.216
  225   2HB   GLU  26          2HB       GLU  26  16.900   3.674  12.583
  226   1HG   GLU  26          1HG       GLU  26  14.569   3.976  14.587
  227   2HG   GLU  26          2HG       GLU  26  15.708   2.593  14.428
  228    H    ASN  27           H        ASN  27  14.984   7.572  11.135
  229    HA   ASN  27           HA       ASN  27  16.805   7.091   8.949
  230   1HB   ASN  27          1HB       ASN  27  13.725   7.097   8.673
  231   2HB   ASN  27          2HB       ASN  27  14.795   7.609   7.320
  232   2HD2  ASN  27          2HD2      ASN  27  13.731   4.794   9.243
  233   1HD2  ASN  27          1HD2      ASN  27  14.439   3.592   8.207
  234    HA   PRO  28           HA       PRO  28  16.657  11.416   9.654
  235   1HB   PRO  28          1HB       PRO  28  17.945  12.468   7.466
  236   2HB   PRO  28          2HB       PRO  28  18.738  11.273   8.552
  237   1HG   PRO  28          1HG       PRO  28  17.305  10.670   5.906
  238   2HG   PRO  28          2HG       PRO  28  18.987  10.201   6.395
  239   1HD   PRO  28          1HD       PRO  28  16.809   8.506   6.731
  240   2HD   PRO  28          2HD       PRO  28  18.170   8.563   7.945
  241    H    GLY  29           H        GLY  29  14.055  11.148   9.378
  242   1HA   GLY  29          1HA       GLY  29  13.308  13.498   7.962
  243   2HA   GLY  29          2HA       GLY  29  12.271  12.371   8.920
  244    H    ILE  30           H        ILE  30  11.736  10.263   7.883
  245    HA   ILE  30           HA       ILE  30  12.130  10.150   5.016
  246    HB   ILE  30           HB       ILE  30  13.035   8.442   6.483
  247   1HG1  ILE  30          1HG1      ILE  30  10.833   7.304   4.682
  248   2HG1  ILE  30          2HG1      ILE  30  12.403   7.975   4.121
  249   1HG2  ILE  30          1HG2      ILE  30  11.329   8.531   8.290
  250   2HG2  ILE  30          2HG2      ILE  30  10.105   7.779   7.207
  251   3HG2  ILE  30          3HG2      ILE  30  11.564   6.855   7.708
  252   1HD1  ILE  30          1HD1      ILE  30  13.635   6.246   5.442
  253   2HD1  ILE  30          2HD1      ILE  30  12.067   5.531   5.989
  254   3HD1  ILE  30          3HD1      ILE  30  12.520   5.504   4.248
  255    H    LYS  31           H        LYS  31  10.441   9.754   3.531
  256    HA   LYS  31           HA       LYS  31   7.811  10.646   4.483
  257   1HB   LYS  31          1HB       LYS  31   9.095  10.713   1.687
  258   2HB   LYS  31          2HB       LYS  31   7.381  11.130   2.031
  259   1HG   LYS  31          1HG       LYS  31   8.496  13.185   1.824
  260   2HG   LYS  31          2HG       LYS  31   8.148  12.973   3.573
  261   1HD   LYS  31          1HD       LYS  31  10.542  12.333   3.957
  262   2HD   LYS  31          2HD       LYS  31  10.870  12.482   2.194
  263   1HE   LYS  31          1HE       LYS  31  10.393  14.947   2.326
  264   2HE   LYS  31          2HE       LYS  31   9.957  14.773   4.076
  265   1HZ   LYS  31          1HZ       LYS  31  12.201  13.965   4.478
  266   2HZ   LYS  31          2HZ       LYS  31  12.607  14.214   2.849
  267   3HZ   LYS  31          3HZ       LYS  31  12.189  15.537   3.831
  268    H    VAL  32           H        VAL  32   5.999   9.658   2.934
  269    HA   VAL  32           HA       VAL  32   5.843   7.136   3.953
  270    HB   VAL  32           HB       VAL  32   4.001   8.702   3.636
  271   1HG1  VAL  32          1HG1      VAL  32   4.665   9.424   1.267
  272   2HG1  VAL  32          2HG1      VAL  32   3.980   7.867   0.662
  273   3HG1  VAL  32          3HG1      VAL  32   2.927   9.065   1.485
  274   1HG2  VAL  32          1HG2      VAL  32   3.595   6.282   4.116
  275   2HG2  VAL  32          2HG2      VAL  32   2.279   7.008   3.122
  276   3HG2  VAL  32          3HG2      VAL  32   3.495   5.939   2.347
  277    H    THR  33           H        THR  33   6.705   8.058   0.590
  278    HA   THR  33           HA       THR  33   6.277   5.457  -0.454
  279    HB   THR  33           HB       THR  33   7.571   6.385  -2.444
  280    HG1  THR  33           HG1      THR  33   8.078   8.511  -2.388
  281   1HG2  THR  33          1HG2      THR  33   5.058   6.480  -2.209
  282   2HG2  THR  33          2HG2      THR  33   5.194   8.062  -1.355
  283   3HG2  THR  33          3HG2      THR  33   5.708   7.919  -3.074
  284    H    GLU  34           H        GLU  34   8.885   7.103   1.194
  285    HA   GLU  34           HA       GLU  34  10.925   5.240   0.394
  286   1HB   GLU  34          1HB       GLU  34  10.873   7.490   2.467
  287   2HB   GLU  34          2HB       GLU  34  12.355   6.623   1.909
  288   1HG   GLU  34          1HG       GLU  34  12.023   7.581  -0.388
  289   2HG   GLU  34          2HG       GLU  34  10.514   8.407   0.157
  290    H    VAL  35           H        VAL  35   8.553   5.669   2.985
  291    HA   VAL  35           HA       VAL  35   9.811   3.992   4.902
  292    HB   VAL  35           HB       VAL  35   7.011   5.128   4.556
  293   1HG1  VAL  35          1HG1      VAL  35   7.947   3.191   6.777
  294   2HG1  VAL  35          2HG1      VAL  35   6.470   4.222   6.858
  295   3HG1  VAL  35          3HG1      VAL  35   6.592   2.941   5.608
  296   1HG2  VAL  35          1HG2      VAL  35   8.920   6.614   5.365
  297   2HG2  VAL  35          2HG2      VAL  35   7.649   6.382   6.613
  298   3HG2  VAL  35          3HG2      VAL  35   9.200   5.473   6.718
  299    H    ALA  36           H        ALA  36   7.840   3.468   2.001
  300    HA   ALA  36           HA       ALA  36   7.040   0.839   2.636
  301   1HB   ALA  36          1HB       ALA  36   6.504   0.628   0.206
  302   2HB   ALA  36          2HB       ALA  36   7.404   2.154  -0.123
  303   3HB   ALA  36          3HB       ALA  36   5.899   2.190   0.864
  304    H    LYS  37           H        LYS  37  10.086   2.200   1.631
  305    HA   LYS  37           HA       LYS  37  11.103  -0.117   0.319
  306   1HB   LYS  37          1HB       LYS  37  11.822   2.292  -0.122
  307   2HB   LYS  37          2HB       LYS  37  12.596   2.312   1.489
  308   1HG   LYS  37          1HG       LYS  37  14.095   0.393   0.727
  309   2HG   LYS  37          2HG       LYS  37  13.335   0.525  -0.900
  310   1HD   LYS  37          1HD       LYS  37  14.078   2.977  -0.961
  311   2HD   LYS  37          2HD       LYS  37  14.891   2.720   0.616
  312   1HE   LYS  37          1HE       LYS  37  16.570   2.602  -1.173
  313   2HE   LYS  37          2HE       LYS  37  16.372   0.946  -0.468
  314   1HZ   LYS  37          1HZ       LYS  37  15.113   1.962  -2.968
  315   2HZ   LYS  37          2HZ       LYS  37  16.454   0.927  -2.862
  316   3HZ   LYS  37          3HZ       LYS  37  14.932   0.402  -2.320
  317    H    ARG  38           H        ARG  38  11.799   1.572   3.448
  318    HA   ARG  38           HA       ARG  38  13.510  -0.475   4.389
  319   1HB   ARG  38          1HB       ARG  38  12.153   1.924   5.753
  320   2HB   ARG  38          2HB       ARG  38  13.299   0.848   6.614
  321   1HG   ARG  38          1HG       ARG  38  13.983   2.504   4.106
  322   2HG   ARG  38          2HG       ARG  38  14.305   3.005   5.795
  323   1HD   ARG  38          1HD       ARG  38  15.531   0.524   4.401
  324   2HD   ARG  38          2HD       ARG  38  16.375   2.082   4.717
  325    HE   ARG  38           HE       ARG  38  15.576  -0.016   6.703
  326   1HH1  ARG  38          1HH1      ARG  38  17.062   3.214   6.176
  327   2HH1  ARG  38          2HH1      ARG  38  17.756   3.297   7.748
  328   1HH2  ARG  38          1HH2      ARG  38  16.474   0.169   8.859
  329   2HH2  ARG  38          2HH2      ARG  38  17.411   1.549   9.296
  330    H    GLY  39           H        GLY  39  10.062   0.331   4.838
  331   1HA   GLY  39          1HA       GLY  39   8.493  -0.525   6.100
  332   2HA   GLY  39          2HA       GLY  39   9.721  -1.463   7.030
  333    H    GLY  40           H        GLY  40   9.949  -1.877   3.607
  334   1HA   GLY  40          1HA       GLY  40   9.360  -3.479   2.220
  335   2HA   GLY  40          2HA       GLY  40   8.077  -4.019   3.372
  336    H    GLU  41           H        GLU  41  11.438  -3.624   4.365
  337    HA   GLU  41           HA       GLU  41  12.268  -6.300   3.942
  338   1HB   GLU  41          1HB       GLU  41  13.377  -4.154   5.862
  339   2HB   GLU  41          2HB       GLU  41  14.225  -5.657   5.348
  340   1HG   GLU  41          1HG       GLU  41  14.319  -4.805   2.994
  341   2HG   GLU  41          2HG       GLU  41  13.398  -3.330   3.475
  342    H    LEU  42           H        LEU  42  11.095  -4.358   6.706
  343    HA   LEU  42           HA       LEU  42  11.466  -6.408   8.630
  344   1HB   LEU  42          1HB       LEU  42   9.902  -3.772   8.704
  345   2HB   LEU  42          2HB       LEU  42  10.298  -4.758  10.158
  346    HG   LEU  42           HG       LEU  42  12.364  -3.443   8.281
  347   1HD1  LEU  42          1HD1      LEU  42  10.990  -1.722   9.414
  348   2HD1  LEU  42          2HD1      LEU  42  11.333  -2.474  11.018
  349   3HD1  LEU  42          3HD1      LEU  42  12.674  -1.739  10.057
  350   1HD2  LEU  42          1HD2      LEU  42  12.724  -4.750  11.057
  351   2HD2  LEU  42          2HD2      LEU  42  13.310  -5.412   9.484
  352   3HD2  LEU  42          3HD2      LEU  42  13.995  -3.877  10.123
  353    H    TRP  43           H        TRP  43   8.883  -5.480   6.454
  354    HA   TRP  43           HA       TRP  43   6.756  -6.771   7.856
  355   1HB   TRP  43          1HB       TRP  43   6.146  -4.997   6.336
  356   2HB   TRP  43          2HB       TRP  43   7.206  -5.652   5.046
  357    HD1  TRP  43           HD1      TRP  43   6.135  -7.273   3.290
  358    HE1  TRP  43           HE1      TRP  43   3.856  -8.335   2.954
  359    HE3  TRP  43           HE3      TRP  43   4.019  -5.854   7.705
  360    HZ2  TRP  43           HZ2      TRP  43   1.378  -8.550   4.419
  361    HZ3  TRP  43           HZ3      TRP  43   1.687  -6.534   8.198
  362    HH2  TRP  43           HH2      TRP  43   0.393  -7.871   6.584
  363    H    ARG  44           H        ARG  44   9.185  -7.635   5.357
  364    HA   ARG  44           HA       ARG  44   7.843  -9.901   4.455
  365   1HB   ARG  44          1HB       ARG  44   9.653  -8.576   3.223
  366   2HB   ARG  44          2HB       ARG  44  10.865  -9.335   4.297
  367   1HG   ARG  44          1HG       ARG  44  10.846 -10.471   2.170
  368   2HG   ARG  44          2HG       ARG  44  10.157 -11.606   3.382
  369   1HD   ARG  44          1HD       ARG  44   7.825 -11.117   2.532
  370   2HD   ARG  44          2HD       ARG  44   8.494  -9.852   1.432
  371    HE   ARG  44           HE       ARG  44   9.275 -11.491  -0.025
  372   1HH1  ARG  44          1HH1      ARG  44   8.215 -13.096   3.004
  373   2HH1  ARG  44          2HH1      ARG  44   8.255 -14.684   2.333
  374   1HH2  ARG  44          1HH2      ARG  44   9.343 -13.652  -0.901
  375   2HH2  ARG  44          2HH2      ARG  44   8.916 -15.006   0.074
  376    H    ALA  45           H        ALA  45  10.565  -9.477   6.791
  377    HA   ALA  45           HA       ALA  45  10.025 -12.198   7.801
  378   1HB   ALA  45          1HB       ALA  45  12.261 -12.030   8.924
  379   2HB   ALA  45          2HB       ALA  45  12.528 -10.430   8.126
  380   3HB   ALA  45          3HB       ALA  45  12.406 -11.924   7.133
  381    H    MET  46           H        MET  46   8.217 -11.651   9.062
  382    HA   MET  46           HA       MET  46   8.728  -9.805  11.283
  383   1HB   MET  46          1HB       MET  46   7.215  -8.896   9.326
  384   2HB   MET  46          2HB       MET  46   6.015 -10.090   9.858
  385   1HG   MET  46          1HG       MET  46   6.986  -8.514  12.162
  386   2HG   MET  46          2HG       MET  46   6.647  -7.395  10.817
  387   1HE   MET  46          1HE       MET  46   4.470  -7.213   9.542
  388   2HE   MET  46          2HE       MET  46   4.210  -8.972   9.277
  389   3HE   MET  46          3HE       MET  46   2.899  -7.971   9.967
  390    H    LYS  47           H        LYS  47   5.954 -10.479  12.219
  391    HA   LYS  47           HA       LYS  47   6.354 -13.195  13.173
  392   1HB   LYS  47          1HB       LYS  47   4.336 -10.964  13.823
  393   2HB   LYS  47          2HB       LYS  47   4.167 -12.629  14.474
  394   1HG   LYS  47          1HG       LYS  47   6.614 -10.818  14.942
  395   2HG   LYS  47          2HG       LYS  47   5.201 -10.931  16.045
  396   1HD   LYS  47          1HD       LYS  47   7.050 -13.288  15.311
  397   2HD   LYS  47          2HD       LYS  47   7.156 -12.284  16.797
  398   1HE   LYS  47          1HE       LYS  47   4.839 -13.012  17.475
  399   2HE   LYS  47          2HE       LYS  47   4.745 -14.070  16.010
  400   1HZ   LYS  47          1HZ       LYS  47   6.741 -14.295  18.200
  401   2HZ   LYS  47          2HZ       LYS  47   5.378 -15.279  17.957
  402   3HZ   LYS  47          3HZ       LYS  47   6.641 -15.286  16.823
  403    H    ASP  48           H        ASP  48   3.068 -12.070  12.725
  404    HA   ASP  48           HA       ASP  48   2.805 -13.883  10.412
  405   1HB   ASP  48          1HB       ASP  48   0.814 -13.224  12.671
  406   2HB   ASP  48          2HB       ASP  48   0.423 -14.220  11.217
  407    H    LYS  49           H        LYS  49   1.146 -13.273   8.892
  408    HA   LYS  49           HA       LYS  49   0.825 -10.393   8.595
  409   1HB   LYS  49          1HB       LYS  49  -0.144 -12.734   6.848
  410   2HB   LYS  49          2HB       LYS  49  -0.306 -10.987   6.446
  411   1HG   LYS  49          1HG       LYS  49   2.238 -10.827   6.463
  412   2HG   LYS  49          2HG       LYS  49   2.298 -12.617   6.621
  413   1HD   LYS  49          1HD       LYS  49   0.992 -11.002   4.335
  414   2HD   LYS  49          2HD       LYS  49   2.576 -11.853   4.263
  415   1HE   LYS  49          1HE       LYS  49   1.416 -14.065   4.541
  416   2HE   LYS  49          2HE       LYS  49  -0.185 -13.229   4.636
  417   1HZ   LYS  49          1HZ       LYS  49   1.668 -13.158   2.314
  418   2HZ   LYS  49          2HZ       LYS  49   0.259 -14.091   2.465
  419   3HZ   LYS  49          3HZ       LYS  49   0.147 -12.404   2.411
  420    H    SER  50           H        SER  50  -0.796 -13.332   9.598
  421    HA   SER  50           HA       SER  50  -3.381 -12.887   8.986
  422   1HB   SER  50          1HB       SER  50  -2.308 -14.423  11.431
  423   2HB   SER  50          2HB       SER  50  -3.890 -14.696  10.598
  424    HG   SER  50           HG       SER  50  -2.276 -16.151   9.970
  425    H    GLU  51           H        GLU  51  -1.565 -11.529  11.660
  426    HA   GLU  51           HA       GLU  51  -3.565 -10.906  13.474
  427   1HB   GLU  51          1HB       GLU  51  -0.997  -9.369  12.712
  428   2HB   GLU  51          2HB       GLU  51  -1.937  -9.110  14.227
  429   1HG   GLU  51          1HG       GLU  51  -1.368 -11.379  15.024
  430   2HG   GLU  51          2HG       GLU  51  -0.586 -11.785  13.454
  431    H    TRP  52           H        TRP  52  -2.289  -9.228  10.602
  432    HA   TRP  52           HA       TRP  52  -3.893  -6.882  11.065
  433   1HB   TRP  52          1HB       TRP  52  -1.968  -7.532   8.762
  434   2HB   TRP  52          2HB       TRP  52  -2.607  -5.910   9.226
  435    HD1  TRP  52           HD1      TRP  52   0.321  -8.240   9.901
  436    HE1  TRP  52           HE1      TRP  52   1.752  -7.339  11.824
  437    HE3  TRP  52           HE3      TRP  52  -2.867  -4.638  11.581
  438    HZ2  TRP  52           HZ2      TRP  52   1.592  -5.233  13.763
  439    HZ3  TRP  52           HZ3      TRP  52  -2.161  -3.169  13.444
  440    HH2  TRP  52           HH2      TRP  52   0.034  -3.472  14.528
  441    H    GLU  53           H        GLU  53  -3.772  -9.756   8.939
  442    HA   GLU  53           HA       GLU  53  -5.507  -8.818   6.950
  443   1HB   GLU  53          1HB       GLU  53  -4.916 -11.673   7.917
  444   2HB   GLU  53          2HB       GLU  53  -5.936 -11.296   6.485
  445   1HG   GLU  53          1HG       GLU  53  -4.021 -10.204   5.339
  446   2HG   GLU  53          2HG       GLU  53  -2.957 -10.545   6.751
  447    H    ALA  54           H        ALA  54  -6.080 -10.527  10.061
  448    HA   ALA  54           HA       ALA  54  -8.776 -11.119   9.575
  449   1HB   ALA  54          1HB       ALA  54  -7.275 -10.781  12.249
  450   2HB   ALA  54          2HB       ALA  54  -7.424 -12.309  11.312
  451   3HB   ALA  54          3HB       ALA  54  -8.890 -11.565  12.045
  452    H    LYS  55           H        LYS  55  -7.100  -8.363  11.125
  453    HA   LYS  55           HA       LYS  55  -9.458  -7.147  12.103
  454   1HB   LYS  55          1HB       LYS  55  -7.188  -6.846  13.098
  455   2HB   LYS  55          2HB       LYS  55  -6.654  -5.979  11.622
  456   1HG   LYS  55          1HG       LYS  55  -8.207  -4.122  12.097
  457   2HG   LYS  55          2HG       LYS  55  -9.033  -5.087  13.369
  458   1HD   LYS  55          1HD       LYS  55  -7.632  -3.407  14.415
  459   2HD   LYS  55          2HD       LYS  55  -7.007  -5.053  14.786
  460   1HE   LYS  55          1HE       LYS  55  -5.178  -4.750  13.069
  461   2HE   LYS  55          2HE       LYS  55  -5.834  -3.110  12.669
  462   1HZ   LYS  55          1HZ       LYS  55  -5.412  -2.452  14.941
  463   2HZ   LYS  55          2HZ       LYS  55  -4.805  -3.993  15.317
  464   3HZ   LYS  55          3HZ       LYS  55  -3.995  -3.013  14.194
  465    H    ALA  56           H        ALA  56  -7.512  -6.890   9.120
  466    HA   ALA  56           HA       ALA  56  -8.729  -4.577   8.096
  467   1HB   ALA  56          1HB       ALA  56  -6.519  -5.376   7.268
  468   2HB   ALA  56          2HB       ALA  56  -7.279  -6.894   6.670
  469   3HB   ALA  56          3HB       ALA  56  -7.696  -5.312   5.910
  470    H    ALA  57           H        ALA  57  -9.528  -8.049   7.961
  471    HA   ALA  57           HA       ALA  57 -11.358  -7.871   5.824
  472   1HB   ALA  57          1HB       ALA  57 -12.056 -10.173   6.535
  473   2HB   ALA  57          2HB       ALA  57 -11.109  -9.981   8.060
  474   3HB   ALA  57          3HB       ALA  57 -10.264 -10.027   6.472
  475    H    LYS  58           H        LYS  58 -11.640  -7.690   9.401
  476    HA   LYS  58           HA       LYS  58 -14.490  -7.645   9.374
  477   1HB   LYS  58          1HB       LYS  58 -12.433  -6.898  11.529
  478   2HB   LYS  58          2HB       LYS  58 -14.211  -6.914  11.809
  479   1HG   LYS  58          1HG       LYS  58 -12.552  -9.376  10.978
  480   2HG   LYS  58          2HG       LYS  58 -13.028  -8.948  12.656
  481   1HD   LYS  58          1HD       LYS  58 -15.448  -9.071  11.991
  482   2HD   LYS  58          2HD       LYS  58 -14.956  -9.589  10.337
  483   1HE   LYS  58          1HE       LYS  58 -13.843 -11.635  11.302
  484   2HE   LYS  58          2HE       LYS  58 -14.350 -11.119  12.963
  485   1HZ   LYS  58          1HZ       LYS  58 -16.641 -11.253  12.240
  486   2HZ   LYS  58          2HZ       LYS  58 -16.161 -11.748  10.688
  487   3HZ   LYS  58          3HZ       LYS  58 -15.836 -12.734  12.031
  488    H    ALA  59           H        ALA  59 -11.913  -5.227   9.103
  489    HA   ALA  59           HA       ALA  59 -13.557  -2.989   9.694
  490   1HB   ALA  59          1HB       ALA  59 -11.062  -2.865   9.869
  491   2HB   ALA  59          2HB       ALA  59 -11.687  -1.644   8.704
  492   3HB   ALA  59          3HB       ALA  59 -10.923  -3.165   8.100
  493    H    LYS  60           H        LYS  60 -12.830  -4.928   6.816
  494    HA   LYS  60           HA       LYS  60 -13.880  -3.072   4.941
  495   1HB   LYS  60          1HB       LYS  60 -12.131  -4.857   4.460
  496   2HB   LYS  60          2HB       LYS  60 -13.410  -6.099   4.640
  497   1HG   LYS  60          1HG       LYS  60 -14.651  -5.051   2.708
  498   2HG   LYS  60          2HG       LYS  60 -13.368  -3.793   2.585
  499   1HD   LYS  60          1HD       LYS  60 -11.668  -5.614   2.160
  500   2HD   LYS  60          2HD       LYS  60 -12.988  -6.829   2.168
  501   1HE   LYS  60          1HE       LYS  60 -12.703  -4.452   0.191
  502   2HE   LYS  60          2HE       LYS  60 -12.338  -6.188  -0.168
  503   1HZ   LYS  60          1HZ       LYS  60 -14.651  -6.701   0.250
  504   2HZ   LYS  60          2HZ       LYS  60 -14.991  -5.070   0.581
  505   3HZ   LYS  60          3HZ       LYS  60 -14.486  -5.533  -0.972
  506    H    ASP  61           H        ASP  61 -15.102  -5.834   6.819
  507    HA   ASP  61           HA       ASP  61 -17.566  -6.094   5.486
  508   1HB   ASP  61          1HB       ASP  61 -16.453  -7.902   6.848
  509   2HB   ASP  61          2HB       ASP  61 -16.724  -6.936   8.338
  510    H    ASP  62           H        ASP  62 -16.426  -4.300   8.376
  511    HA   ASP  62           HA       ASP  62 -18.867  -3.315   9.251
  512   1HB   ASP  62          1HB       ASP  62 -16.701  -3.276  10.578
  513   2HB   ASP  62          2HB       ASP  62 -16.071  -2.013   9.470
  514    H    TYR  63           H        TYR  63 -16.375  -1.901   7.067
  515    HA   TYR  63           HA       TYR  63 -17.529   0.533   6.595
  516   1HB   TYR  63          1HB       TYR  63 -15.182  -0.026   5.979
  517   2HB   TYR  63          2HB       TYR  63 -15.759  -1.222   4.773
  518    HD1  TYR  63           HD1      TYR  63 -16.360   2.460   5.591
  519    HD2  TYR  63           HD2      TYR  63 -15.616  -0.518   2.578
  520    HE1  TYR  63           HE1      TYR  63 -16.197   4.228   3.887
  521    HE2  TYR  63           HE2      TYR  63 -15.455   1.248   0.868
  522    HH   TYR  63           HH       TYR  63 -15.464   3.468   0.451
  523    H    ASP  64           H        ASP  64 -17.829  -2.501   4.637
  524    HA   ASP  64           HA       ASP  64 -19.220  -1.372   2.565
  525   1HB   ASP  64          1HB       ASP  64 -18.057  -3.630   2.530
  526   2HB   ASP  64          2HB       ASP  64 -19.395  -4.300   3.523
  527    H    ARG  65           H        ARG  65 -20.483  -2.996   5.531
  528    HA   ARG  65           HA       ARG  65 -23.163  -2.902   4.633
  529   1HB   ARG  65          1HB       ARG  65 -22.142  -4.583   6.234
  530   2HB   ARG  65          2HB       ARG  65 -22.114  -3.310   7.495
  531   1HG   ARG  65          1HG       ARG  65 -24.611  -3.167   7.396
  532   2HG   ARG  65          2HG       ARG  65 -24.626  -4.291   5.990
  533   1HD   ARG  65          1HD       ARG  65 -23.621  -6.106   7.438
  534   2HD   ARG  65          2HD       ARG  65 -23.715  -5.016   8.873
  535    HE   ARG  65           HE       ARG  65 -25.956  -6.346   7.405
  536   1HH1  ARG  65          1HH1      ARG  65 -25.061  -3.935   9.904
  537   2HH1  ARG  65          2HH1      ARG  65 -26.597  -3.977  10.687
  538   1HH2  ARG  65          1HH2      ARG  65 -28.029  -6.376   8.473
  539   2HH2  ARG  65          2HH2      ARG  65 -28.315  -5.387   9.854
  540    H    ALA  66           H        ALA  66 -21.103  -0.799   6.668
  541    HA   ALA  66           HA       ALA  66 -23.219   0.588   7.874
  542   1HB   ALA  66          1HB       ALA  66 -20.265   1.389   7.567
  543   2HB   ALA  66          2HB       ALA  66 -20.967   0.435   8.923
  544   3HB   ALA  66          3HB       ALA  66 -21.449   2.151   8.699
  545    H    VAL  67           H        VAL  67 -21.434   1.168   4.809
  546    HA   VAL  67           HA       VAL  67 -22.055   3.919   4.790
  547    HB   VAL  67           HB       VAL  67 -21.306   3.942   2.418
  548   1HG1  VAL  67          1HG1      VAL  67 -19.461   2.723   4.574
  549   2HG1  VAL  67          2HG1      VAL  67 -18.930   3.539   3.058
  550   3HG1  VAL  67          3HG1      VAL  67 -19.831   4.464   4.315
  551   1HG2  VAL  67          1HG2      VAL  67 -21.967   1.584   1.815
  552   2HG2  VAL  67          2HG2      VAL  67 -20.222   1.901   1.515
  553   3HG2  VAL  67          3HG2      VAL  67 -20.722   0.947   2.952
  554    H    LYS  68           H        LYS  68 -24.069   1.199   4.071
  555    HA   LYS  68           HA       LYS  68 -25.698   2.556   2.139
  556   1HB   LYS  68          1HB       LYS  68 -26.297   0.113   3.914
  557   2HB   LYS  68          2HB       LYS  68 -27.463   0.841   2.761
  558   1HG   LYS  68          1HG       LYS  68 -26.637  -0.943   1.566
  559   2HG   LYS  68          2HG       LYS  68 -25.744   0.464   0.893
  560   1HD   LYS  68          1HD       LYS  68 -23.743  -0.201   2.303
  561   2HD   LYS  68          2HD       LYS  68 -24.705  -1.548   2.995
  562   1HE   LYS  68          1HE       LYS  68 -23.229  -2.478   1.286
  563   2HE   LYS  68          2HE       LYS  68 -24.918  -2.542   0.641
  564   1HZ   LYS  68          1HZ       LYS  68 -22.861  -0.483   0.020
  565   2HZ   LYS  68          2HZ       LYS  68 -23.338  -1.770  -0.978
  566   3HZ   LYS  68          3HZ       LYS  68 -24.441  -0.532  -0.605
  567    H    GLU  69           H        GLU  69 -25.545   2.210   5.688
  568    HA   GLU  69           HA       GLU  69 -28.074   3.469   6.128
  569   1HB   GLU  69          1HB       GLU  69 -25.803   2.935   8.136
  570   2HB   GLU  69          2HB       GLU  69 -27.532   3.251   8.512
  571   1HG   GLU  69          1HG       GLU  69 -26.345   0.757   7.110
  572   2HG   GLU  69          2HG       GLU  69 -26.995   0.854   8.784
  573    H    PHE  70           H        PHE  70 -24.671   4.379   5.950
  574    HA   PHE  70           HA       PHE  70 -24.860   6.859   7.268
  575   1HB   PHE  70          1HB       PHE  70 -22.728   5.485   6.949
  576   2HB   PHE  70          2HB       PHE  70 -22.807   5.837   5.188
  577    HD1  PHE  70           HD1      PHE  70 -23.095   7.902   8.387
  578    HD2  PHE  70           HD2      PHE  70 -21.169   7.335   4.580
  579    HE1  PHE  70           HE1      PHE  70 -21.704   9.900   8.788
  580    HE2  PHE  70           HE2      PHE  70 -19.777   9.333   4.990
  581    HZ   PHE  70           HZ       PHE  70 -20.040  10.623   7.095
  582    H    GLU  71           H        GLU  71 -24.697   5.864   3.786
  583    HA   GLU  71           HA       GLU  71 -25.354   8.558   2.940
  584   1HB   GLU  71          1HB       GLU  71 -24.700   6.044   1.308
  585   2HB   GLU  71          2HB       GLU  71 -24.884   7.716   0.661
  586   1HG   GLU  71          1HG       GLU  71 -22.914   8.470   2.025
  587   2HG   GLU  71          2HG       GLU  71 -22.720   6.801   2.677
  588    H    ALA  72           H        ALA  72 -27.333   6.786   4.398
  589    HA   ALA  72           HA       ALA  72 -29.423   6.427   2.412
  590   1HB   ALA  72          1HB       ALA  72 -30.867   5.893   4.404
  591   2HB   ALA  72          2HB       ALA  72 -29.388   4.879   4.403
  592   3HB   ALA  72          3HB       ALA  72 -29.492   6.299   5.500
  593    H    ASN  73           H        ASN  73 -28.088   8.746   4.697
  594    HA   ASN  73           HA       ASN  73 -30.479  10.359   4.812
  595   1HB   ASN  73          1HB       ASN  73 -27.655  10.911   5.933
  596   2HB   ASN  73          2HB       ASN  73 -29.156  11.832   6.318
  597   2HD2  ASN  73          2HD2      ASN  73 -27.216   9.026   7.114
  598   1HD2  ASN  73          1HD2      ASN  73 -28.293   8.305   8.262
  599    H    GLY  74           H        GLY  74 -30.512  12.621   4.079
  600   1HA   GLY  74          1HA       GLY  74 -29.625  12.983   1.536
  601   2HA   GLY  74          2HA       GLY  74 -28.413  13.755   2.653

  No H/Q in entry =         601
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1 -19.990  18.758   0.625
    2    H2   MET   1           H2       MET   1 -19.009  19.735  -0.368
    3    H3   MET   1           H3       MET   1 -20.374  18.952  -1.015
    4    HA   MET   1           HA       MET   1 -18.427  17.804  -1.673
    5   1HB   MET   1          1HB       MET   1 -17.007  18.524   0.300
    6   2HB   MET   1          2HB       MET   1 -17.953  17.427   1.361
    7   1HG   MET   1          1HG       MET   1 -17.155  15.467  -0.020
    8   2HG   MET   1          2HG       MET   1 -16.180  16.583  -1.021
    9   1HE   MET   1          1HE       MET   1 -13.999  17.712  -0.338
   10   2HE   MET   1          2HE       MET   1 -14.854  18.656   0.933
   11   3HE   MET   1          3HE       MET   1 -13.333  17.790   1.329
   12    H    SER   2           H        SER   2 -18.857  15.644  -2.273
   13    HA   SER   2           HA       SER   2 -20.443  14.027  -0.461
   14   1HB   SER   2          1HB       SER   2 -22.061  15.009  -2.208
   15   2HB   SER   2          2HB       SER   2 -21.057  14.244  -3.492
   16    HG   SER   2           HG       SER   2 -21.632  12.273  -2.716
   17    H    ASP   3           H        ASP   3 -19.918  11.755  -0.849
   18    HA   ASP   3           HA       ASP   3 -17.927  11.110  -2.781
   19   1HB   ASP   3          1HB       ASP   3 -16.590  12.055  -0.740
   20   2HB   ASP   3          2HB       ASP   3 -17.290  10.717   0.233
   21    H    LYS   4           H        LYS   4 -17.488   8.505  -2.030
   22    HA   LYS   4           HA       LYS   4 -19.881   7.447  -0.819
   23   1HB   LYS   4          1HB       LYS   4 -20.435   7.488  -3.271
   24   2HB   LYS   4          2HB       LYS   4 -18.924   6.588  -3.626
   25   1HG   LYS   4          1HG       LYS   4 -19.761   4.637  -2.312
   26   2HG   LYS   4          2HG       LYS   4 -21.259   5.534  -1.893
   27   1HD   LYS   4          1HD       LYS   4 -20.374   4.814  -4.758
   28   2HD   LYS   4          2HD       LYS   4 -21.491   3.829  -3.747
   29   1HE   LYS   4          1HE       LYS   4 -23.126   5.729  -3.643
   30   2HE   LYS   4          2HE       LYS   4 -22.032   6.739  -4.672
   31   1HZ   LYS   4          1HZ       LYS   4 -23.264   4.150  -5.457
   32   2HZ   LYS   4          2HZ       LYS   4 -23.766   5.699  -5.937
   33   3HZ   LYS   4          3HZ       LYS   4 -22.247   5.114  -6.418
   34    HA   PRO   5           HA       PRO   5 -16.103   5.489   0.529
   35   1HB   PRO   5          1HB       PRO   5 -17.031   3.671   2.412
   36   2HB   PRO   5          2HB       PRO   5 -17.182   5.449   2.663
   37   1HG   PRO   5          1HG       PRO   5 -19.321   3.561   1.527
   38   2HG   PRO   5          2HG       PRO   5 -19.489   4.738   2.898
   39   1HD   PRO   5          1HD       PRO   5 -20.213   5.380   0.296
   40   2HD   PRO   5          2HD       PRO   5 -19.440   6.623   1.387
   41    H    LYS   6           H        LYS   6 -14.990   3.281   0.551
   42    HA   LYS   6           HA       LYS   6 -16.314   1.280  -1.095
   43   1HB   LYS   6          1HB       LYS   6 -14.775   2.958  -2.444
   44   2HB   LYS   6          2HB       LYS   6 -13.414   2.111  -1.652
   45   1HG   LYS   6          1HG       LYS   6 -14.055  -0.007  -2.736
   46   2HG   LYS   6          2HG       LYS   6 -15.605   0.692  -3.321
   47   1HD   LYS   6          1HD       LYS   6 -12.838   1.742  -4.164
   48   2HD   LYS   6          2HD       LYS   6 -13.709   0.431  -5.036
   49   1HE   LYS   6          1HE       LYS   6 -15.609   1.951  -5.551
   50   2HE   LYS   6          2HE       LYS   6 -14.821   3.295  -4.632
   51   1HZ   LYS   6          1HZ       LYS   6 -13.701   1.966  -7.054
   52   2HZ   LYS   6          2HZ       LYS   6 -14.477   3.471  -6.989
   53   3HZ   LYS   6          3HZ       LYS   6 -13.002   3.243  -6.182
   54    H    ARG   7           H        ARG   7 -14.287  -0.613  -1.027
   55    HA   ARG   7           HA       ARG   7 -14.580  -1.333   1.654
   56   1HB   ARG   7          1HB       ARG   7 -13.414  -3.442   1.051
   57   2HB   ARG   7          2HB       ARG   7 -14.829  -3.026   0.034
   58   1HG   ARG   7          1HG       ARG   7 -13.275  -2.155  -1.759
   59   2HG   ARG   7          2HG       ARG   7 -11.876  -2.697  -0.761
   60   1HD   ARG   7          1HD       ARG   7 -12.752  -5.066  -0.847
   61   2HD   ARG   7          2HD       ARG   7 -14.116  -4.501  -1.912
   62    HE   ARG   7           HE       ARG   7 -11.629  -3.620  -3.057
   63   1HH1  ARG   7          1HH1      ARG   7 -13.416  -6.648  -2.397
   64   2HH1  ARG   7          2HH1      ARG   7 -12.632  -7.558  -3.636
   65   1HH2  ARG   7          1HH2      ARG   7 -10.625  -4.847  -4.805
   66   2HH2  ARG   7          2HH2      ARG   7 -11.044  -6.501  -5.053
   67    HA   PRO   8           HA       PRO   8 -10.651   0.532   2.681
   68   1HB   PRO   8          1HB       PRO   8 -10.692   0.343   5.441
   69   2HB   PRO   8          2HB       PRO   8 -11.933   1.304   4.555
   70   1HG   PRO   8          1HG       PRO   8 -12.187  -1.617   5.490
   71   2HG   PRO   8          2HG       PRO   8 -13.304  -0.236   5.862
   72   1HD   PRO   8          1HD       PRO   8 -13.774  -1.951   3.741
   73   2HD   PRO   8          2HD       PRO   8 -14.098  -0.162   3.587
   74    H    LEU   9           H        LEU   9 -11.007  -2.756   2.462
   75    HA   LEU   9           HA       LEU   9  -9.204  -3.669   4.422
   76   1HB   LEU   9          1HB       LEU   9 -10.268  -5.080   1.913
   77   2HB   LEU   9          2HB       LEU   9  -9.163  -5.833   3.109
   78    HG   LEU   9           HG       LEU   9 -10.895  -5.283   4.916
   79   1HD1  LEU   9          1HD1      LEU   9 -12.764  -5.034   2.472
   80   2HD1  LEU   9          2HD1      LEU   9 -13.294  -5.252   4.180
   81   3HD1  LEU   9          3HD1      LEU   9 -12.426  -3.758   3.705
   82   1HD2  LEU   9          1HD2      LEU   9 -10.358  -7.566   4.108
   83   2HD2  LEU   9          2HD2      LEU   9 -12.113  -7.408   4.477
   84   3HD2  LEU   9          3HD2      LEU   9 -11.548  -7.392   2.762
   85    H    SER  10           H        SER  10  -7.123  -3.059   4.431
   86    HA   SER  10           HA       SER  10  -5.442  -4.050   2.362
   87   1HB   SER  10          1HB       SER  10  -4.150  -1.804   2.187
   88   2HB   SER  10          2HB       SER  10  -5.708  -1.893   1.293
   89    HG   SER  10           HG       SER  10  -5.595   0.012   2.410
   90    H    ALA  11           H        ALA  11  -4.444  -5.378   3.814
   91    HA   ALA  11           HA       ALA  11  -4.378  -4.728   6.557
   92   1HB   ALA  11          1HB       ALA  11  -4.681  -7.071   5.732
   93   2HB   ALA  11          2HB       ALA  11  -3.265  -6.941   6.831
   94   3HB   ALA  11          3HB       ALA  11  -3.016  -7.040   5.045
   95    H    TYR  12           H        TYR  12  -2.101  -4.416   3.908
   96    HA   TYR  12           HA       TYR  12   0.270  -4.313   5.405
   97   1HB   TYR  12          1HB       TYR  12   0.196  -4.855   2.957
   98   2HB   TYR  12          2HB       TYR  12  -0.455  -3.213   2.608
   99    HD1  TYR  12           HD1      TYR  12   2.437  -4.409   4.803
  100    HD2  TYR  12           HD2      TYR  12   1.166  -2.076   1.424
  101    HE1  TYR  12           HE1      TYR  12   4.691  -3.449   4.623
  102    HE2  TYR  12           HE2      TYR  12   3.427  -1.119   1.229
  103    HH   TYR  12           HH       TYR  12   5.561  -1.136   2.038
  104    H    MET  13           H        MET  13  -2.137  -1.891   4.349
  105    HA   MET  13           HA       MET  13  -0.595   0.386   4.964
  106   1HB   MET  13          1HB       MET  13  -3.519  -0.164   4.334
  107   2HB   MET  13          2HB       MET  13  -3.057   1.445   4.965
  108   1HG   MET  13          1HG       MET  13  -3.252   1.432   2.535
  109   2HG   MET  13          2HG       MET  13  -1.670   1.980   3.141
  110   1HE   MET  13          1HE       MET  13   0.152   1.750   1.849
  111   2HE   MET  13          2HE       MET  13   0.615   0.456   3.007
  112   3HE   MET  13          3HE       MET  13   0.867   0.223   1.243
  113    H    LEU  14           H        LEU  14  -2.627  -1.760   6.925
  114    HA   LEU  14           HA       LEU  14  -3.152   0.100   8.990
  115   1HB   LEU  14          1HB       LEU  14  -3.020  -2.968   9.141
  116   2HB   LEU  14          2HB       LEU  14  -3.748  -1.883  10.375
  117    HG   LEU  14           HG       LEU  14  -4.737  -2.278   7.497
  118   1HD1  LEU  14          1HD1      LEU  14  -5.061  -4.289   8.921
  119   2HD1  LEU  14          2HD1      LEU  14  -5.918  -3.295  10.155
  120   3HD1  LEU  14          3HD1      LEU  14  -6.635  -3.511   8.513
  121   1HD2  LEU  14          1HD2      LEU  14  -6.007  -0.652   9.791
  122   2HD2  LEU  14          2HD2      LEU  14  -5.305   0.013   8.266
  123   3HD2  LEU  14          3HD2      LEU  14  -6.776  -1.017   8.201
  124    H    TRP  15           H        TRP  15  -0.587  -2.314   8.365
  125    HA   TRP  15           HA       TRP  15   0.687  -2.014  10.882
  126   1HB   TRP  15          1HB       TRP  15   0.945  -4.093   9.634
  127   2HB   TRP  15          2HB       TRP  15   1.543  -3.212   8.189
  128    HD1  TRP  15           HD1      TRP  15   2.838  -4.269  11.773
  129    HE1  TRP  15           HE1      TRP  15   5.392  -4.067  11.762
  130    HE3  TRP  15           HE3      TRP  15   3.409  -2.270   7.111
  131    HZ2  TRP  15           HZ2      TRP  15   7.416  -3.063  10.001
  132    HZ3  TRP  15           HZ3      TRP  15   5.669  -1.643   6.341
  133    HH2  TRP  15           HH2      TRP  15   7.639  -2.005   7.775
  134    H    LEU  16           H        LEU  16   0.860  -0.374   7.739
  135    HA   LEU  16           HA       LEU  16   3.437   0.551   7.900
  136   1HB   LEU  16          1HB       LEU  16   1.721   0.435   5.922
  137   2HB   LEU  16          2HB       LEU  16   1.180   2.049   6.446
  138    HG   LEU  16           HG       LEU  16   2.703   2.087   4.530
  139   1HD1  LEU  16          1HD1      LEU  16   2.773   4.041   6.116
  140   2HD1  LEU  16          2HD1      LEU  16   4.243   3.327   6.885
  141   3HD1  LEU  16          3HD1      LEU  16   4.281   3.811   5.155
  142   1HD2  LEU  16          1HD2      LEU  16   3.997   0.004   5.007
  143   2HD2  LEU  16          2HD2      LEU  16   5.055   1.396   4.570
  144   3HD2  LEU  16          3HD2      LEU  16   4.925   0.873   6.288
  145    H    ASN  17           H        ASN  17   0.354   2.146   8.921
  146    HA   ASN  17           HA       ASN  17   1.678   4.538   9.665
  147   1HB   ASN  17          1HB       ASN  17  -0.451   5.312  10.594
  148   2HB   ASN  17          2HB       ASN  17  -0.654   4.654   8.942
  149   2HD2  ASN  17          2HD2      ASN  17  -2.112   2.926   8.626
  150   1HD2  ASN  17          1HD2      ASN  17  -3.021   2.186   9.901
  151    H    SER  18           H        SER  18   1.116   1.491  11.292
  152    HA   SER  18           HA       SER  18   1.185   2.558  13.930
  153   1HB   SER  18          1HB       SER  18  -0.045   0.428  13.247
  154   2HB   SER  18          2HB       SER  18   1.551  -0.359  12.988
  155    HG   SER  18           HG       SER  18   0.395   0.641  15.375
  156    H    ALA  19           H        ALA  19   3.465   0.811  11.745
  157    HA   ALA  19           HA       ALA  19   5.575   0.823  13.685
  158   1HB   ALA  19          1HB       ALA  19   5.286  -1.069  12.066
  159   2HB   ALA  19          2HB       ALA  19   5.558   0.066  10.697
  160   3HB   ALA  19          3HB       ALA  19   6.891  -0.284  11.865
  161    H    ARG  20           H        ARG  20   4.318   3.306  11.916
  162    HA   ARG  20           HA       ARG  20   6.377   4.285  10.381
  163   1HB   ARG  20          1HB       ARG  20   3.921   4.885  10.313
  164   2HB   ARG  20          2HB       ARG  20   4.145   5.876  11.785
  165   1HG   ARG  20          1HG       ARG  20   5.643   7.409  10.548
  166   2HG   ARG  20          2HG       ARG  20   5.664   6.294   9.132
  167   1HD   ARG  20          1HD       ARG  20   3.205   6.639   8.790
  168   2HD   ARG  20          2HD       ARG  20   3.142   7.761  10.200
  169    HE   ARG  20           HE       ARG  20   4.494   8.211   7.535
  170   1HH1  ARG  20          1HH1      ARG  20   3.520   9.554  10.716
  171   2HH1  ARG  20          2HH1      ARG  20   3.729  11.197  10.228
  172   1HH2  ARG  20          1HH2      ARG  20   4.739  10.446   6.903
  173   2HH2  ARG  20          2HH2      ARG  20   4.482  11.705   8.038
  174    H    GLU  21           H        GLU  21   5.691   4.732  13.857
  175    HA   GLU  21           HA       GLU  21   7.351   7.003  14.128
  176   1HB   GLU  21          1HB       GLU  21   6.217   5.096  16.248
  177   2HB   GLU  21          2HB       GLU  21   6.995   6.681  16.592
  178   1HG   GLU  21          1HG       GLU  21   4.386   6.232  14.992
  179   2HG   GLU  21          2HG       GLU  21   4.526   6.885  16.663
  180    H    SER  22           H        SER  22   7.959   3.481  14.381
  181    HA   SER  22           HA       SER  22  10.464   3.905  15.714
  182   1HB   SER  22          1HB       SER  22  10.892   1.493  15.373
  183   2HB   SER  22          2HB       SER  22   9.293   1.798  16.141
  184    HG   SER  22           HG       SER  22   9.926   0.934  13.554
  185    H    ILE  23           H        ILE  23   9.256   3.598  12.400
  186    HA   ILE  23           HA       ILE  23  11.668   3.143  11.097
  187    HB   ILE  23           HB       ILE  23   8.936   4.168  10.301
  188   1HG1  ILE  23          1HG1      ILE  23  10.501   1.614   9.556
  189   2HG1  ILE  23          2HG1      ILE  23   9.416   1.733  10.972
  190   1HG2  ILE  23          1HG2      ILE  23  11.319   3.775   8.374
  191   2HG2  ILE  23          2HG2      ILE  23   9.603   3.994   7.886
  192   3HG2  ILE  23          3HG2      ILE  23  10.456   5.326   8.714
  193   1HD1  ILE  23          1HD1      ILE  23   7.484   2.306   9.427
  194   2HD1  ILE  23          2HD1      ILE  23   8.575   2.013   8.019
  195   3HD1  ILE  23          3HD1      ILE  23   8.188   0.671   9.152
  196    H    LYS  24           H        LYS  24  10.213   6.141  12.334
  197    HA   LYS  24           HA       LYS  24  11.815   7.944  10.875
  198   1HB   LYS  24          1HB       LYS  24  10.462   8.174  13.626
  199   2HB   LYS  24          2HB       LYS  24  11.271   9.553  12.800
  200   1HG   LYS  24          1HG       LYS  24   9.682   9.490  10.949
  201   2HG   LYS  24          2HG       LYS  24   8.904   8.008  11.598
  202   1HD   LYS  24          1HD       LYS  24   8.244   9.227  13.668
  203   2HD   LYS  24          2HD       LYS  24   9.006  10.731  13.031
  204   1HE   LYS  24          1HE       LYS  24   7.368  10.802  11.147
  205   2HE   LYS  24          2HE       LYS  24   6.643   9.233  11.692
  206   1HZ   LYS  24          1HZ       LYS  24   6.741  11.715  13.328
  207   2HZ   LYS  24          2HZ       LYS  24   5.410  11.184  12.416
  208   3HZ   LYS  24          3HZ       LYS  24   5.970  10.245  13.713
  209    H    ARG  25           H        ARG  25  12.379   6.002  13.806
  210    HA   ARG  25           HA       ARG  25  14.693   7.556  14.578
  211   1HB   ARG  25          1HB       ARG  25  13.536   4.948  15.724
  212   2HB   ARG  25          2HB       ARG  25  14.877   5.914  16.439
  213   1HG   ARG  25          1HG       ARG  25  13.325   7.859  16.704
  214   2HG   ARG  25          2HG       ARG  25  11.972   6.873  16.043
  215   1HD   ARG  25          1HD       ARG  25  12.172   5.261  17.938
  216   2HD   ARG  25          2HD       ARG  25  13.560   6.190  18.625
  217    HE   ARG  25           HE       ARG  25  10.673   6.931  18.634
  218   1HH1  ARG  25          1HH1      ARG  25  14.023   8.107  19.131
  219   2HH1  ARG  25          2HH1      ARG  25  13.554   9.450  20.107
  220   1HH2  ARG  25          1HH2      ARG  25  10.061   8.761  19.952
  221   2HH2  ARG  25          2HH2      ARG  25  11.261   9.827  20.578
  222    H    GLU  26           H        GLU  26  13.856   4.470  12.995
  223    HA   GLU  26           HA       GLU  26  16.428   3.327  13.090
  224   1HB   GLU  26          1HB       GLU  26  13.985   2.845  11.291
  225   2HB   GLU  26          2HB       GLU  26  15.473   1.835  11.203
  226   1HG   GLU  26          1HG       GLU  26  15.160   0.973  13.446
  227   2HG   GLU  26          2HG       GLU  26  13.850   2.148  13.804
  228    H    ASN  27           H        ASN  27  14.560   4.918  10.412
  229    HA   ASN  27           HA       ASN  27  16.978   4.942   8.803
  230   1HB   ASN  27          1HB       ASN  27  14.073   5.690   8.104
  231   2HB   ASN  27          2HB       ASN  27  15.469   5.767   6.964
  232   2HD2  ASN  27          2HD2      ASN  27  13.373   3.540   8.867
  233   1HD2  ASN  27          1HD2      ASN  27  13.785   2.103   7.989
  234    HA   PRO  28           HA       PRO  28  17.356   9.109  10.269
  235   1HB   PRO  28          1HB       PRO  28  19.475  10.053   8.793
  236   2HB   PRO  28          2HB       PRO  28  19.636   8.637   9.893
  237   1HG   PRO  28          1HG       PRO  28  19.140   8.562   6.865
  238   2HG   PRO  28          2HG       PRO  28  20.431   7.703   7.806
  239   1HD   PRO  28          1HD       PRO  28  18.002   6.501   7.144
  240   2HD   PRO  28          2HD       PRO  28  18.848   6.154   8.724
  241    H    GLY  29           H        GLY  29  15.050   9.573   9.292
  242   1HA   GLY  29          1HA       GLY  29  15.292  12.038   7.891
  243   2HA   GLY  29          2HA       GLY  29  13.798  11.193   8.457
  244    H    ILE  30           H        ILE  30  13.351   9.070   7.184
  245    HA   ILE  30           HA       ILE  30  14.222   9.136   4.439
  246    HB   ILE  30           HB       ILE  30  14.248   7.082   5.776
  247   1HG1  ILE  30          1HG1      ILE  30  12.288   6.868   3.430
  248   2HG1  ILE  30          2HG1      ILE  30  14.069   7.054   3.272
  249   1HG2  ILE  30          1HG2      ILE  30  12.238   7.538   7.208
  250   2HG2  ILE  30          2HG2      ILE  30  11.165   7.306   5.777
  251   3HG2  ILE  30          3HG2      ILE  30  12.134   5.934   6.416
  252   1HD1  ILE  30          1HD1      ILE  30  14.376   4.893   4.565
  253   2HD1  ILE  30          2HD1      ILE  30  12.582   4.690   4.599
  254   3HD1  ILE  30          3HD1      ILE  30  13.458   4.681   3.029
  255    H    LYS  31           H        LYS  31  12.669   9.146   2.627
  256    HA   LYS  31           HA       LYS  31  10.499  10.973   3.088
  257   1HB   LYS  31          1HB       LYS  31  11.298   9.487   0.517
  258   2HB   LYS  31          2HB       LYS  31  10.151  10.869   0.640
  259   1HG   LYS  31          1HG       LYS  31  12.041  12.334   1.440
  260   2HG   LYS  31          2HG       LYS  31  13.165  10.937   1.288
  261   1HD   LYS  31          1HD       LYS  31  12.595  10.781  -1.164
  262   2HD   LYS  31          2HD       LYS  31  11.612  12.282  -1.004
  263   1HE   LYS  31          1HE       LYS  31  13.669  13.556  -0.295
  264   2HE   LYS  31          2HE       LYS  31  14.647  12.034  -0.390
  265   1HZ   LYS  31          1HZ       LYS  31  14.142  11.912  -2.729
  266   2HZ   LYS  31          2HZ       LYS  31  13.223  13.340  -2.651
  267   3HZ   LYS  31          3HZ       LYS  31  14.893  13.384  -2.340
  268    H    VAL  32           H        VAL  32   8.254  10.446   2.474
  269    HA   VAL  32           HA       VAL  32   7.562   8.150   3.877
  270    HB   VAL  32           HB       VAL  32   5.213   8.841   3.476
  271   1HG1  VAL  32          1HG1      VAL  32   6.602   9.733   5.358
  272   2HG1  VAL  32          2HG1      VAL  32   7.176  11.087   4.311
  273   3HG1  VAL  32          3HG1      VAL  32   5.437  10.963   4.744
  274   1HG2  VAL  32          1HG2      VAL  32   6.516  11.063   1.737
  275   2HG2  VAL  32          2HG2      VAL  32   5.437   9.741   1.144
  276   3HG2  VAL  32          3HG2      VAL  32   4.802  10.986   2.271
  277    H    THR  33           H        THR  33   7.976   8.621   0.424
  278    HA   THR  33           HA       THR  33   6.260   6.448  -0.316
  279    HB   THR  33           HB       THR  33   7.388   6.788  -2.585
  280    HG1  THR  33           HG1      THR  33   8.627   8.584  -2.791
  281   1HG2  THR  33          1HG2      THR  33   5.184   7.800  -1.914
  282   2HG2  THR  33          2HG2      THR  33   6.037   9.217  -1.198
  283   3HG2  THR  33          3HG2      THR  33   6.123   8.912  -2.972
  284    H    GLU  34           H        GLU  34   9.633   6.923   0.626
  285    HA   GLU  34           HA       GLU  34  10.512   4.407  -0.448
  286   1HB   GLU  34          1HB       GLU  34  11.886   6.429   1.395
  287   2HB   GLU  34          2HB       GLU  34  12.679   4.994   0.647
  288   1HG   GLU  34          1HG       GLU  34  12.236   5.961  -1.637
  289   2HG   GLU  34          2HG       GLU  34  11.462   7.401  -0.875
  290    H    VAL  35           H        VAL  35   8.784   5.382   2.342
  291    HA   VAL  35           HA       VAL  35   9.813   3.503   4.208
  292    HB   VAL  35           HB       VAL  35   7.123   4.958   4.019
  293   1HG1  VAL  35          1HG1      VAL  35   8.274   3.184   6.271
  294   2HG1  VAL  35          2HG1      VAL  35   6.875   4.307   6.467
  295   3HG1  VAL  35          3HG1      VAL  35   6.746   2.904   5.354
  296   1HG2  VAL  35          1HG2      VAL  35   9.662   5.387   5.739
  297   2HG2  VAL  35          2HG2      VAL  35   9.111   6.435   4.386
  298   3HG2  VAL  35          3HG2      VAL  35   8.132   6.327   5.884
  299    H    ALA  36           H        ALA  36   7.418   3.473   1.560
  300    HA   ALA  36           HA       ALA  36   6.201   1.037   2.249
  301   1HB   ALA  36          1HB       ALA  36   5.314   1.052  -0.089
  302   2HB   ALA  36          2HB       ALA  36   5.135   2.670   0.676
  303   3HB   ALA  36          3HB       ALA  36   6.457   2.382  -0.512
  304    H    LYS  37           H        LYS  37   9.083   1.901   0.329
  305    HA   LYS  37           HA       LYS  37   9.384  -0.499  -1.033
  306   1HB   LYS  37          1HB       LYS  37  10.453   1.686  -1.639
  307   2HB   LYS  37          2HB       LYS  37  11.520   1.559  -0.205
  308   1HG   LYS  37          1HG       LYS  37  12.561  -0.514  -1.175
  309   2HG   LYS  37          2HG       LYS  37  11.435  -0.417  -2.576
  310   1HD   LYS  37          1HD       LYS  37  12.393   1.813  -3.187
  311   2HD   LYS  37          2HD       LYS  37  13.520   1.716  -1.785
  312   1HE   LYS  37          1HE       LYS  37  14.612  -0.318  -2.790
  313   2HE   LYS  37          2HE       LYS  37  13.464  -0.246  -4.189
  314   1HZ   LYS  37          1HZ       LYS  37  15.417   1.867  -3.423
  315   2HZ   LYS  37          2HZ       LYS  37  15.581   0.749  -4.690
  316   3HZ   LYS  37          3HZ       LYS  37  14.348   1.915  -4.740
  317    H    ARG  38           H        ARG  38  10.987   0.698   1.990
  318    HA   ARG  38           HA       ARG  38  12.363  -1.799   2.340
  319   1HB   ARG  38          1HB       ARG  38  12.129   0.716   4.089
  320   2HB   ARG  38          2HB       ARG  38  13.188  -0.684   4.486
  321   1HG   ARG  38          1HG       ARG  38  13.427   0.967   1.897
  322   2HG   ARG  38          2HG       ARG  38  14.346   1.305   3.401
  323   1HD   ARG  38          1HD       ARG  38  15.506  -0.886   3.291
  324   2HD   ARG  38          2HD       ARG  38  14.473  -1.405   1.907
  325    HE   ARG  38           HE       ARG  38  15.762  -0.178   0.449
  326   1HH1  ARG  38          1HH1      ARG  38  16.569   0.939   3.762
  327   2HH1  ARG  38          2HH1      ARG  38  17.972   1.811   3.269
  328   1HH2  ARG  38          1HH2      ARG  38  17.661   1.009  -0.190
  329   2HH2  ARG  38          2HH2      ARG  38  18.596   1.857   0.981
  330    H    GLY  39           H        GLY  39   9.250  -0.543   3.213
  331   1HA   GLY  39          1HA       GLY  39   7.752  -1.072   4.721
  332   2HA   GLY  39          2HA       GLY  39   9.009  -1.934   5.684
  333    H    GLY  40           H        GLY  40   8.745  -2.891   2.350
  334   1HA   GLY  40          1HA       GLY  40   7.883  -4.647   1.333
  335   2HA   GLY  40          2HA       GLY  40   6.734  -4.878   2.706
  336    H    GLU  41           H        GLU  41  10.227  -4.662   3.154
  337    HA   GLU  41           HA       GLU  41  10.731  -7.460   3.199
  338   1HB   GLU  41          1HB       GLU  41  12.334  -5.119   4.411
  339   2HB   GLU  41          2HB       GLU  41  12.945  -6.789   4.159
  340   1HG   GLU  41          1HG       GLU  41  12.115  -4.786   1.946
  341   2HG   GLU  41          2HG       GLU  41  13.793  -5.221   2.425
  342    H    LEU  42           H        LEU  42   9.906  -4.901   5.522
  343    HA   LEU  42           HA       LEU  42  10.397  -6.480   7.840
  344   1HB   LEU  42          1HB       LEU  42   8.898  -3.838   7.427
  345   2HB   LEU  42          2HB       LEU  42   9.295  -4.532   9.038
  346    HG   LEU  42           HG       LEU  42  11.371  -3.705   6.918
  347   1HD1  LEU  42          1HD1      LEU  42  10.105  -1.727   7.714
  348   2HD1  LEU  42          2HD1      LEU  42  10.435  -2.179   9.429
  349   3HD1  LEU  42          3HD1      LEU  42  11.794  -1.708   8.341
  350   1HD2  LEU  42          1HD2      LEU  42  11.722  -4.469   9.890
  351   2HD2  LEU  42          2HD2      LEU  42  12.264  -5.438   8.467
  352   3HD2  LEU  42          3HD2      LEU  42  13.013  -3.838   8.803
  353    H    TRP  43           H        TRP  43   7.657  -5.995   5.663
  354    HA   TRP  43           HA       TRP  43   5.684  -6.976   7.489
  355   1HB   TRP  43          1HB       TRP  43   4.933  -5.550   5.646
  356   2HB   TRP  43          2HB       TRP  43   5.748  -6.601   4.444
  357    HD1  TRP  43           HD1      TRP  43   4.462  -8.865   3.696
  358    HE1  TRP  43           HE1      TRP  43   2.034  -9.648   3.915
  359    HE3  TRP  43           HE3      TRP  43   2.903  -5.509   7.214
  360    HZ2  TRP  43           HZ2      TRP  43  -0.263  -8.973   5.469
  361    HZ3  TRP  43           HZ3      TRP  43   0.576  -5.658   8.059
  362    HH2  TRP  43           HH2      TRP  43  -0.974  -7.362   7.205
  363    H    ARG  44           H        ARG  44   7.879  -8.300   4.988
  364    HA   ARG  44           HA       ARG  44   6.645 -10.773   4.731
  365   1HB   ARG  44          1HB       ARG  44   8.301  -9.724   3.118
  366   2HB   ARG  44          2HB       ARG  44   9.616 -10.117   4.268
  367   1HG   ARG  44          1HG       ARG  44   8.980 -12.592   4.033
  368   2HG   ARG  44          2HG       ARG  44   7.694 -12.098   2.882
  369   1HD   ARG  44          1HD       ARG  44   9.590 -12.883   1.570
  370   2HD   ARG  44          2HD       ARG  44   9.507 -11.091   1.371
  371    HE   ARG  44           HE       ARG  44  11.322 -10.862   3.050
  372   1HH1  ARG  44          1HH1      ARG  44  10.955 -14.114   1.569
  373   2HH1  ARG  44          2HH1      ARG  44  12.569 -14.601   1.928
  374   1HH2  ARG  44          1HH2      ARG  44  13.491 -11.557   3.533
  375   2HH2  ARG  44          2HH2      ARG  44  14.030 -13.126   3.069
  376    H    ALA  45           H        ALA  45   9.624  -9.832   6.578
  377    HA   ALA  45           HA       ALA  45   9.224 -12.191   8.301
  378   1HB   ALA  45          1HB       ALA  45  11.574 -11.796   9.061
  379   2HB   ALA  45          2HB       ALA  45  11.716 -10.428   7.887
  380   3HB   ALA  45          3HB       ALA  45  11.498 -12.111   7.290
  381    H    MET  46           H        MET  46   7.463 -11.182   9.423
  382    HA   MET  46           HA       MET  46   8.235  -8.872  11.075
  383   1HB   MET  46          1HB       MET  46   6.264  -8.657   9.338
  384   2HB   MET  46          2HB       MET  46   5.353  -9.720  10.426
  385   1HG   MET  46          1HG       MET  46   6.326  -7.751  12.186
  386   2HG   MET  46          2HG       MET  46   6.238  -6.820  10.671
  387   1HE   MET  46          1HE       MET  46   4.127  -6.539   9.235
  388   2HE   MET  46          2HE       MET  46   3.713  -8.290   9.194
  389   3HE   MET  46          3HE       MET  46   2.471  -7.085   9.657
  390    H    LYS  47           H        LYS  47   5.625  -9.615  12.541
  391    HA   LYS  47           HA       LYS  47   6.578 -11.918  14.087
  392   1HB   LYS  47          1HB       LYS  47   4.636  -9.619  14.785
  393   2HB   LYS  47          2HB       LYS  47   4.934 -11.067  15.824
  394   1HG   LYS  47          1HG       LYS  47   7.310 -10.381  16.098
  395   2HG   LYS  47          2HG       LYS  47   7.070  -9.019  14.951
  396   1HD   LYS  47          1HD       LYS  47   7.046  -8.125  17.187
  397   2HD   LYS  47          2HD       LYS  47   5.393  -7.989  16.489
  398   1HE   LYS  47          1HE       LYS  47   4.672 -10.014  17.839
  399   2HE   LYS  47          2HE       LYS  47   6.346 -10.136  18.520
  400   1HZ   LYS  47          1HZ       LYS  47   6.049  -7.937  19.458
  401   2HZ   LYS  47          2HZ       LYS  47   4.478  -7.839  18.822
  402   3HZ   LYS  47          3HZ       LYS  47   4.848  -9.010  19.993
  403    H    ASP  48           H        ASP  48   3.274 -10.701  14.160
  404    HA   ASP  48           HA       ASP  48   2.379 -13.017  12.586
  405   1HB   ASP  48          1HB       ASP  48   0.915 -11.310  14.701
  406   2HB   ASP  48          2HB       ASP  48   0.152 -12.633  13.739
  407    H    LYS  49           H        LYS  49   1.094 -12.654  10.829
  408    HA   LYS  49           HA       LYS  49   0.568  -9.892  10.017
  409   1HB   LYS  49          1HB       LYS  49   0.285 -12.587   8.574
  410   2HB   LYS  49          2HB       LYS  49  -0.256 -11.020   7.880
  411   1HG   LYS  49          1HG       LYS  49   2.019 -10.110   7.961
  412   2HG   LYS  49          2HG       LYS  49   2.660 -11.617   8.693
  413   1HD   LYS  49          1HD       LYS  49   1.255 -11.453   5.947
  414   2HD   LYS  49          2HD       LYS  49   3.029 -11.312   6.165
  415   1HE   LYS  49          1HE       LYS  49   1.354 -13.805   6.945
  416   2HE   LYS  49          2HE       LYS  49   2.342 -13.618   5.444
  417   1HZ   LYS  49          1HZ       LYS  49   4.292 -13.338   6.824
  418   2HZ   LYS  49          2HZ       LYS  49   3.366 -13.527   8.233
  419   3HZ   LYS  49          3HZ       LYS  49   3.514 -14.815   7.137
  420    H    SER  50           H        SER  50  -0.786 -12.710  11.509
  421    HA   SER  50           HA       SER  50  -3.325 -12.814  10.589
  422   1HB   SER  50          1HB       SER  50  -2.347 -13.499  13.432
  423   2HB   SER  50          2HB       SER  50  -3.797 -14.188  12.602
  424    HG   SER  50           HG       SER  50  -1.964 -15.523  12.513
  425    H    GLU  51           H        GLU  51  -1.995 -10.645  13.057
  426    HA   GLU  51           HA       GLU  51  -4.404  -9.966  14.318
  427   1HB   GLU  51          1HB       GLU  51  -2.062  -9.669  15.214
  428   2HB   GLU  51          2HB       GLU  51  -1.802  -8.323  14.070
  429   1HG   GLU  51          1HG       GLU  51  -4.046  -8.380  16.216
  430   2HG   GLU  51          2HG       GLU  51  -2.384  -7.768  16.535
  431    H    TRP  52           H        TRP  52  -2.510  -8.518  11.627
  432    HA   TRP  52           HA       TRP  52  -4.188  -6.288  11.299
  433   1HB   TRP  52          1HB       TRP  52  -2.224  -7.535   9.283
  434   2HB   TRP  52          2HB       TRP  52  -2.866  -5.852   9.254
  435    HD1  TRP  52           HD1      TRP  52   0.147  -7.737  10.427
  436    HE1  TRP  52           HE1      TRP  52   1.511  -6.341  12.081
  437    HE3  TRP  52           HE3      TRP  52  -3.311  -4.110  11.368
  438    HZ2  TRP  52           HZ2      TRP  52   1.167  -3.919  13.583
  439    HZ3  TRP  52           HZ3      TRP  52  -2.740  -2.266  12.908
  440    HH2  TRP  52           HH2      TRP  52  -0.533  -2.177  14.009
  441    H    GLU  53           H        GLU  53  -4.064  -9.543   9.849
  442    HA   GLU  53           HA       GLU  53  -5.806  -8.988   7.694
  443   1HB   GLU  53          1HB       GLU  53  -4.950 -11.594   9.065
  444   2HB   GLU  53          2HB       GLU  53  -5.975 -11.546   7.584
  445   1HG   GLU  53          1HG       GLU  53  -4.205 -10.455   6.283
  446   2HG   GLU  53          2HG       GLU  53  -3.144 -10.311   7.728
  447    H    ALA  54           H        ALA  54  -6.254 -10.170  11.052
  448    HA   ALA  54           HA       ALA  54  -8.980 -10.876  10.702
  449   1HB   ALA  54          1HB       ALA  54  -7.376 -10.264  13.263
  450   2HB   ALA  54          2HB       ALA  54  -7.580 -11.887  12.512
  451   3HB   ALA  54          3HB       ALA  54  -9.007 -11.041  13.207
  452    H    LYS  55           H        LYS  55  -7.211  -7.927  11.555
  453    HA   LYS  55           HA       LYS  55  -9.453  -6.557  12.627
  454   1HB   LYS  55          1HB       LYS  55  -7.000  -6.190  13.186
  455   2HB   LYS  55          2HB       LYS  55  -6.797  -5.396  11.593
  456   1HG   LYS  55          1HG       LYS  55  -8.374  -3.593  12.294
  457   2HG   LYS  55          2HG       LYS  55  -8.820  -4.538  13.762
  458   1HD   LYS  55          1HD       LYS  55  -6.405  -4.431  14.511
  459   2HD   LYS  55          2HD       LYS  55  -6.071  -3.281  13.168
  460   1HE   LYS  55          1HE       LYS  55  -7.695  -1.641  14.163
  461   2HE   LYS  55          2HE       LYS  55  -8.155  -2.849  15.430
  462   1HZ   LYS  55          1HZ       LYS  55  -5.867  -2.819  16.194
  463   2HZ   LYS  55          2HZ       LYS  55  -5.471  -1.628  15.051
  464   3HZ   LYS  55          3HZ       LYS  55  -6.593  -1.286  16.281
  465    H    ALA  56           H        ALA  56  -7.985  -6.994   9.432
  466    HA   ALA  56           HA       ALA  56  -9.448  -4.918   8.143
  467   1HB   ALA  56          1HB       ALA  56  -7.303  -5.783   7.188
  468   2HB   ALA  56          2HB       ALA  56  -8.048  -7.409   6.987
  469   3HB   ALA  56          3HB       ALA  56  -8.662  -6.007   6.028
  470    H    ALA  57           H        ALA  57  -9.962  -8.357   8.934
  471    HA   ALA  57           HA       ALA  57 -12.138  -8.767   7.189
  472   1HB   ALA  57          1HB       ALA  57 -12.548 -10.837   8.516
  473   2HB   ALA  57          2HB       ALA  57 -11.404 -10.256   9.784
  474   3HB   ALA  57          3HB       ALA  57 -10.796 -10.659   8.140
  475    H    LYS  58           H        LYS  58 -11.802  -7.499  10.501
  476    HA   LYS  58           HA       LYS  58 -14.542  -7.500  11.184
  477   1HB   LYS  58          1HB       LYS  58 -12.125  -5.854  12.110
  478   2HB   LYS  58          2HB       LYS  58 -13.775  -5.534  12.746
  479   1HG   LYS  58          1HG       LYS  58 -13.982  -7.743  13.664
  480   2HG   LYS  58          2HG       LYS  58 -12.420  -8.285  12.965
  481   1HD   LYS  58          1HD       LYS  58 -11.120  -6.955  14.416
  482   2HD   LYS  58          2HD       LYS  58 -12.460  -5.823  14.783
  483   1HE   LYS  58          1HE       LYS  58 -12.410  -8.764  15.750
  484   2HE   LYS  58          2HE       LYS  58 -11.849  -7.345  16.727
  485   1HZ   LYS  58          1HZ       LYS  58 -14.039  -6.398  16.534
  486   2HZ   LYS  58          2HZ       LYS  58 -14.583  -7.720  15.621
  487   3HZ   LYS  58          3HZ       LYS  58 -14.103  -7.944  17.234
  488    H    ALA  59           H        ALA  59 -12.406  -5.246   9.402
  489    HA   ALA  59           HA       ALA  59 -14.173  -3.074   9.451
  490   1HB   ALA  59          1HB       ALA  59 -11.908  -3.659   7.452
  491   2HB   ALA  59          2HB       ALA  59 -11.702  -2.856   9.051
  492   3HB   ALA  59          3HB       ALA  59 -12.676  -2.056   7.769
  493    H    LYS  60           H        LYS  60 -14.198  -6.000   7.566
  494    HA   LYS  60           HA       LYS  60 -15.611  -4.942   5.327
  495   1HB   LYS  60          1HB       LYS  60 -14.159  -7.061   5.408
  496   2HB   LYS  60          2HB       LYS  60 -15.509  -7.885   6.238
  497   1HG   LYS  60          1HG       LYS  60 -15.814  -6.451   3.519
  498   2HG   LYS  60          2HG       LYS  60 -15.175  -8.124   3.642
  499   1HD   LYS  60          1HD       LYS  60 -17.259  -8.945   4.632
  500   2HD   LYS  60          2HD       LYS  60 -17.953  -7.289   4.666
  501   1HE   LYS  60          1HE       LYS  60 -17.818  -7.163   2.153
  502   2HE   LYS  60          2HE       LYS  60 -17.209  -8.868   2.117
  503   1HZ   LYS  60          1HZ       LYS  60 -19.816  -7.958   3.232
  504   2HZ   LYS  60          2HZ       LYS  60 -19.570  -8.716   1.733
  505   3HZ   LYS  60          3HZ       LYS  60 -19.254  -9.560   3.173
  506    H    ASP  61           H        ASP  61 -16.395  -6.527   8.459
  507    HA   ASP  61           HA       ASP  61 -19.159  -6.763   7.964
  508   1HB   ASP  61          1HB       ASP  61 -17.865  -8.114   9.703
  509   2HB   ASP  61          2HB       ASP  61 -17.723  -6.621  10.692
  510    H    ASP  62           H        ASP  62 -17.075  -4.299   9.571
  511    HA   ASP  62           HA       ASP  62 -19.147  -2.685  10.514
  512   1HB   ASP  62          1HB       ASP  62 -16.260  -1.918   9.745
  513   2HB   ASP  62          2HB       ASP  62 -17.405  -0.841  10.628
  514    H    TYR  63           H        TYR  63 -17.588  -2.898   7.329
  515    HA   TYR  63           HA       TYR  63 -18.452  -0.452   6.289
  516   1HB   TYR  63          1HB       TYR  63 -16.628  -1.843   5.250
  517   2HB   TYR  63          2HB       TYR  63 -17.825  -3.125   4.862
  518    HD1  TYR  63           HD1      TYR  63 -16.908   0.457   4.163
  519    HD2  TYR  63           HD2      TYR  63 -19.105  -3.004   2.871
  520    HE1  TYR  63           HE1      TYR  63 -17.395   1.564   2.016
  521    HE2  TYR  63           HE2      TYR  63 -19.591  -1.899   0.719
  522    HH   TYR  63           HH       TYR  63 -18.417   1.418  -0.010
  523    H    ASP  64           H        ASP  64 -19.969  -3.690   6.520
  524    HA   ASP  64           HA       ASP  64 -22.006  -3.216   4.674
  525   1HB   ASP  64          1HB       ASP  64 -21.111  -5.486   5.512
  526   2HB   ASP  64          2HB       ASP  64 -22.041  -5.214   7.025
  527    H    ARG  65           H        ARG  65 -21.735  -2.657   8.203
  528    HA   ARG  65           HA       ARG  65 -24.538  -2.071   8.463
  529   1HB   ARG  65          1HB       ARG  65 -22.364  -1.475  10.537
  530   2HB   ARG  65          2HB       ARG  65 -24.133  -1.697  10.786
  531   1HG   ARG  65          1HG       ARG  65 -23.748  -4.143   9.882
  532   2HG   ARG  65          2HG       ARG  65 -22.001  -3.775  10.035
  533   1HD   ARG  65          1HD       ARG  65 -22.542  -4.958  12.008
  534   2HD   ARG  65          2HD       ARG  65 -22.432  -3.230  12.540
  535    HE   ARG  65           HE       ARG  65 -25.001  -3.186  12.205
  536   1HH1  ARG  65          1HH1      ARG  65 -23.300  -6.211  13.133
  537   2HH1  ARG  65          2HH1      ARG  65 -24.703  -6.942  13.818
  538   1HH2  ARG  65          1HH2      ARG  65 -26.884  -4.212  13.124
  539   2HH2  ARG  65          2HH2      ARG  65 -26.771  -5.787  13.812
  540    H    ALA  66           H        ALA  66 -21.561  -0.338   7.745
  541    HA   ALA  66           HA       ALA  66 -22.404   2.199   8.672
  542   1HB   ALA  66          1HB       ALA  66 -19.987   1.628   8.481
  543   2HB   ALA  66          2HB       ALA  66 -20.381   3.059   7.467
  544   3HB   ALA  66          3HB       ALA  66 -20.164   1.438   6.699
  545    H    VAL  67           H        VAL  67 -22.576   0.483   5.509
  546    HA   VAL  67           HA       VAL  67 -23.192   2.841   4.076
  547    HB   VAL  67           HB       VAL  67 -23.838   1.362   2.192
  548   1HG1  VAL  67          1HG1      VAL  67 -21.544   2.272   2.524
  549   2HG1  VAL  67          2HG1      VAL  67 -21.097   0.841   3.523
  550   3HG1  VAL  67          3HG1      VAL  67 -21.507   0.630   1.783
  551   1HG2  VAL  67          1HG2      VAL  67 -24.681  -0.601   3.540
  552   2HG2  VAL  67          2HG2      VAL  67 -23.393  -1.074   2.379
  553   3HG2  VAL  67          3HG2      VAL  67 -23.003  -0.911   4.125
  554    H    LYS  68           H        LYS  68 -25.088   0.867   6.172
  555    HA   LYS  68           HA       LYS  68 -27.617   1.270   4.964
  556   1HB   LYS  68          1HB       LYS  68 -27.207  -0.497   6.692
  557   2HB   LYS  68          2HB       LYS  68 -26.840   0.774   7.903
  558   1HG   LYS  68          1HG       LYS  68 -29.199   1.648   7.672
  559   2HG   LYS  68          2HG       LYS  68 -29.551   0.329   6.500
  560   1HD   LYS  68          1HD       LYS  68 -29.168  -1.368   8.274
  561   2HD   LYS  68          2HD       LYS  68 -28.571  -0.099   9.396
  562   1HE   LYS  68          1HE       LYS  68 -30.904  -0.743   9.984
  563   2HE   LYS  68          2HE       LYS  68 -30.824   0.984   9.448
  564   1HZ   LYS  68          1HZ       LYS  68 -31.587   0.282   7.277
  565   2HZ   LYS  68          2HZ       LYS  68 -31.683  -1.333   7.792
  566   3HZ   LYS  68          3HZ       LYS  68 -32.685  -0.156   8.495
  567    H    GLU  69           H        GLU  69 -25.704   2.965   7.511
  568    HA   GLU  69           HA       GLU  69 -27.678   4.913   8.033
  569   1HB   GLU  69          1HB       GLU  69 -24.665   4.894   8.645
  570   2HB   GLU  69          2HB       GLU  69 -25.870   6.032   9.354
  571   1HG   GLU  69          1HG       GLU  69 -27.076   4.097  10.411
  572   2HG   GLU  69          2HG       GLU  69 -25.846   2.957   9.744
  573    H    PHE  70           H        PHE  70 -24.960   4.634   5.799
  574    HA   PHE  70           HA       PHE  70 -24.632   7.331   5.148
  575   1HB   PHE  70          1HB       PHE  70 -22.897   5.612   4.655
  576   2HB   PHE  70          2HB       PHE  70 -24.055   4.729   3.600
  577    HD1  PHE  70           HD1      PHE  70 -22.615   8.244   3.908
  578    HD2  PHE  70           HD2      PHE  70 -23.789   5.001   1.338
  579    HE1  PHE  70           HE1      PHE  70 -21.921   9.553   1.926
  580    HE2  PHE  70           HE2      PHE  70 -23.114   6.318  -0.637
  581    HZ   PHE  70           HZ       PHE  70 -22.199   8.601  -0.350
  582    H    GLU  71           H        GLU  71 -26.548   4.668   3.579
  583    HA   GLU  71           HA       GLU  71 -27.559   6.498   1.610
  584   1HB   GLU  71          1HB       GLU  71 -28.194   3.550   2.151
  585   2HB   GLU  71          2HB       GLU  71 -28.786   4.504   0.740
  586   1HG   GLU  71          1HG       GLU  71 -26.415   4.915   0.017
  587   2HG   GLU  71          2HG       GLU  71 -25.822   3.898   1.380
  588    H    ALA  72           H        ALA  72 -28.399   6.023   4.829
  589    HA   ALA  72           HA       ALA  72 -31.276   6.281   4.393
  590   1HB   ALA  72          1HB       ALA  72 -31.428   6.190   6.892
  591   2HB   ALA  72          2HB       ALA  72 -30.559   4.764   6.231
  592   3HB   ALA  72          3HB       ALA  72 -29.625   6.104   6.985
  593    H    ASN  73           H        ASN  73 -30.279   8.373   3.154
  594    HA   ASN  73           HA       ASN  73 -30.970  10.578   4.893
  595   1HB   ASN  73          1HB       ASN  73 -28.375  10.472   3.196
  596   2HB   ASN  73          2HB       ASN  73 -29.134  12.014   3.737
  597   2HD2  ASN  73          2HD2      ASN  73 -27.058   9.359   4.719
  598   1HD2  ASN  73          1HD2      ASN  73 -26.851   9.847   6.368
  599    H    GLY  74           H        GLY  74 -31.488  12.498   3.391
  600   1HA   GLY  74          1HA       GLY  74 -33.247  11.620   1.444
  601   2HA   GLY  74          2HA       GLY  74 -31.709  12.231   0.686

  No H/Q in entry =         601
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1 -29.968   5.505   6.768
    2    H2   MET   1           H2       MET   1 -31.339   6.501   6.685
    3    H3   MET   1           H3       MET   1 -30.487   6.112   5.265
    4    HA   MET   1           HA       MET   1 -28.569   7.289   6.083
    5   1HB   MET   1          1HB       MET   1 -30.322   8.447   4.670
    6   2HB   MET   1          2HB       MET   1 -31.171   8.961   6.163
    7   1HG   MET   1          1HG       MET   1 -29.163  10.324   6.813
    8   2HG   MET   1          2HG       MET   1 -28.311   9.766   5.338
    9   1HE   MET   1          1HE       MET   1 -28.617  12.773   6.203
   10   2HE   MET   1          2HE       MET   1 -27.773  12.224   4.713
   11   3HE   MET   1          3HE       MET   1 -28.978  13.553   4.626
   12    H    SER   2           H        SER   2 -27.710   6.673   8.122
   13    HA   SER   2           HA       SER   2 -28.611   8.249  10.371
   14   1HB   SER   2          1HB       SER   2 -28.506   5.153  10.467
   15   2HB   SER   2          2HB       SER   2 -28.634   6.236  11.910
   16    HG   SER   2           HG       SER   2 -30.605   6.901  11.175
   17    H    ASP   3           H        ASP   3 -26.633   5.260  10.366
   18    HA   ASP   3           HA       ASP   3 -24.318   6.843  11.079
   19   1HB   ASP   3          1HB       ASP   3 -24.969   4.749  12.379
   20   2HB   ASP   3          2HB       ASP   3 -24.644   3.775  10.904
   21    H    LYS   4           H        LYS   4 -22.255   6.430   9.925
   22    HA   LYS   4           HA       LYS   4 -22.742   6.188   7.052
   23   1HB   LYS   4          1HB       LYS   4 -21.839   8.359   7.908
   24   2HB   LYS   4          2HB       LYS   4 -20.448   7.491   8.632
   25   1HG   LYS   4          1HG       LYS   4 -19.718   6.784   6.340
   26   2HG   LYS   4          2HG       LYS   4 -21.133   7.640   5.625
   27   1HD   LYS   4          1HD       LYS   4 -20.299   9.808   6.497
   28   2HD   LYS   4          2HD       LYS   4 -18.909   8.991   7.286
   29   1HE   LYS   4          1HE       LYS   4 -19.449   9.058   4.231
   30   2HE   LYS   4          2HE       LYS   4 -18.260  10.098   5.117
   31   1HZ   LYS   4          1HZ       LYS   4 -18.211   7.126   4.998
   32   2HZ   LYS   4          2HZ       LYS   4 -17.241   8.185   4.089
   33   3HZ   LYS   4          3HZ       LYS   4 -17.087   8.126   5.781
   34    HA   PRO   5           HA       PRO   5 -20.387   2.412   7.645
   35   1HB   PRO   5          1HB       PRO   5 -19.601   1.810   5.006
   36   2HB   PRO   5          2HB       PRO   5 -21.294   1.632   5.603
   37   1HG   PRO   5          1HG       PRO   5 -20.108   4.027   4.111
   38   2HG   PRO   5          2HG       PRO   5 -21.635   3.116   3.744
   39   1HD   PRO   5          1HD       PRO   5 -21.702   5.438   5.194
   40   2HD   PRO   5          2HD       PRO   5 -22.745   4.028   5.695
   41    H    LYS   6           H        LYS   6 -18.138   1.494   7.378
   42    HA   LYS   6           HA       LYS   6 -16.208   3.709   7.484
   43   1HB   LYS   6          1HB       LYS   6 -16.257   1.022   8.973
   44   2HB   LYS   6          2HB       LYS   6 -14.958   2.264   9.106
   45   1HG   LYS   6          1HG       LYS   6 -16.539   3.884  10.087
   46   2HG   LYS   6          2HG       LYS   6 -17.920   2.771   9.803
   47   1HD   LYS   6          1HD       LYS   6 -16.943   1.117  11.405
   48   2HD   LYS   6          2HD       LYS   6 -15.565   2.230  11.707
   49   1HE   LYS   6          1HE       LYS   6 -17.280   2.395  13.525
   50   2HE   LYS   6          2HE       LYS   6 -17.134   3.960  12.630
   51   1HZ   LYS   6          1HZ       LYS   6 -19.240   1.896  12.214
   52   2HZ   LYS   6          2HZ       LYS   6 -19.417   3.363  13.044
   53   3HZ   LYS   6          3HZ       LYS   6 -19.106   3.366  11.381
   54    H    ARG   7           H        ARG   7 -14.253   3.427   6.416
   55    HA   ARG   7           HA       ARG   7 -14.483   1.764   4.128
   56   1HB   ARG   7          1HB       ARG   7 -12.449   3.841   5.086
   57   2HB   ARG   7          2HB       ARG   7 -12.254   2.979   3.526
   58   1HG   ARG   7          1HG       ARG   7 -14.265   3.887   2.603
   59   2HG   ARG   7          2HG       ARG   7 -14.810   4.565   4.170
   60   1HD   ARG   7          1HD       ARG   7 -12.222   5.471   2.728
   61   2HD   ARG   7          2HD       ARG   7 -13.828   6.286   2.534
   62    HE   ARG   7           HE       ARG   7 -13.823   6.530   5.087
   63   1HH1  ARG   7          1HH1      ARG   7 -10.689   6.431   3.307
   64   2HH1  ARG   7          2HH1      ARG   7  -9.885   7.438   4.445
   65   1HH2  ARG   7          1HH2      ARG   7 -12.671   7.825   6.627
   66   2HH2  ARG   7          2HH2      ARG   7 -11.014   8.219   6.369
   67    HA   PRO   8           HA       PRO   8 -11.856  -1.386   5.722
   68   1HB   PRO   8          1HB       PRO   8 -11.077  -2.735   3.452
   69   2HB   PRO   8          2HB       PRO   8 -12.833  -2.539   3.837
   70   1HG   PRO   8          1HG       PRO   8 -11.150  -0.827   1.935
   71   2HG   PRO   8          2HG       PRO   8 -12.754  -1.609   1.612
   72   1HD   PRO   8          1HD       PRO   8 -12.437   1.050   2.488
   73   2HD   PRO   8          2HD       PRO   8 -13.902   0.055   2.888
   74    H    LEU   9           H        LEU   9  -9.489  -2.362   5.475
   75    HA   LEU   9           HA       LEU   9  -7.630  -0.424   4.347
   76   1HB   LEU   9          1HB       LEU   9  -7.263  -1.600   7.177
   77   2HB   LEU   9          2HB       LEU   9  -6.112  -0.563   6.274
   78    HG   LEU   9           HG       LEU   9  -8.249   1.107   6.229
   79   1HD1  LEU   9          1HD1      LEU   9  -9.763  -0.385   7.567
   80   2HD1  LEU   9          2HD1      LEU   9  -8.569  -0.392   8.916
   81   3HD1  LEU   9          3HD1      LEU   9  -9.395   1.139   8.443
   82   1HD2  LEU   9          1HD2      LEU   9  -5.965   1.678   6.976
   83   2HD2  LEU   9          2HD2      LEU   9  -7.209   2.337   8.102
   84   3HD2  LEU   9          3HD2      LEU   9  -6.260   0.875   8.562
   85    H    SER  10           H        SER  10  -5.307  -1.783   4.908
   86    HA   SER  10           HA       SER  10  -5.808  -4.557   4.106
   87   1HB   SER  10          1HB       SER  10  -4.997  -3.117   2.120
   88   2HB   SER  10          2HB       SER  10  -3.490  -2.805   3.050
   89    HG   SER  10           HG       SER  10  -3.394  -4.545   1.545
   90    H    ALA  11           H        ALA  11  -3.641  -5.782   4.614
   91    HA   ALA  11           HA       ALA  11  -3.292  -5.521   7.396
   92   1HB   ALA  11          1HB       ALA  11  -3.286  -7.734   6.203
   93   2HB   ALA  11          2HB       ALA  11  -1.774  -7.498   7.143
   94   3HB   ALA  11          3HB       ALA  11  -1.772  -7.268   5.353
   95    H    TYR  12           H        TYR  12  -1.286  -4.813   4.526
   96    HA   TYR  12           HA       TYR  12   1.061  -4.171   5.945
   97   1HB   TYR  12          1HB       TYR  12   1.067  -4.899   3.538
   98   2HB   TYR  12          2HB       TYR  12   0.113  -3.439   3.093
   99    HD1  TYR  12           HD1      TYR  12   3.158  -3.773   5.369
  100    HD2  TYR  12           HD2      TYR  12   1.530  -2.220   1.697
  101    HE1  TYR  12           HE1      TYR  12   5.252  -2.565   4.952
  102    HE2  TYR  12           HE2      TYR  12   3.635  -1.008   1.283
  103    HH   TYR  12           HH       TYR  12   5.760  -0.576   2.021
  104    H    MET  13           H        MET  13  -1.842  -2.407   4.944
  105    HA   MET  13           HA       MET  13  -0.764   0.167   5.045
  106   1HB   MET  13          1HB       MET  13  -3.089  -0.976   4.090
  107   2HB   MET  13          2HB       MET  13  -3.723  -0.221   5.567
  108   1HG   MET  13          1HG       MET  13  -4.023   1.535   4.202
  109   2HG   MET  13          2HG       MET  13  -2.321   1.921   4.570
  110   1HE   MET  13          1HE       MET  13  -0.305   1.518   2.867
  111   2HE   MET  13          2HE       MET  13  -0.627  -0.247   2.711
  112   3HE   MET  13          3HE       MET  13  -0.450   0.766   1.242
  113    H    LEU  14           H        LEU  14  -2.468  -1.878   7.419
  114    HA   LEU  14           HA       LEU  14  -2.778   0.060   9.438
  115   1HB   LEU  14          1HB       LEU  14  -2.637  -3.011   9.451
  116   2HB   LEU  14          2HB       LEU  14  -2.985  -2.061  10.936
  117    HG   LEU  14           HG       LEU  14  -4.712  -1.758   8.430
  118   1HD1  LEU  14          1HD1      LEU  14  -5.066  -3.834  10.684
  119   2HD1  LEU  14          2HD1      LEU  14  -6.280  -3.445   9.404
  120   3HD1  LEU  14          3HD1      LEU  14  -4.691  -4.172   8.953
  121   1HD2  LEU  14          1HD2      LEU  14  -4.946  -0.013  10.214
  122   2HD2  LEU  14          2HD2      LEU  14  -6.430  -1.030  10.091
  123   3HD2  LEU  14          3HD2      LEU  14  -5.262  -1.299  11.438
  124    H    TRP  15           H        TRP  15  -0.227  -2.330   8.629
  125    HA   TRP  15           HA       TRP  15   1.179  -2.048  11.041
  126   1HB   TRP  15          1HB       TRP  15   1.341  -4.063   9.624
  127   2HB   TRP  15          2HB       TRP  15   2.079  -3.099   8.301
  128    HD1  TRP  15           HD1      TRP  15   3.021  -4.577  11.829
  129    HE1  TRP  15           HE1      TRP  15   5.566  -4.458  12.086
  130    HE3  TRP  15           HE3      TRP  15   4.077  -1.972   7.571
  131    HZ2  TRP  15           HZ2      TRP  15   7.771  -3.285  10.682
  132    HZ3  TRP  15           HZ3      TRP  15   6.404  -1.284   7.134
  133    HH2  TRP  15           HH2      TRP  15   8.219  -1.905   8.676
  134    H    LEU  16           H        LEU  16   1.357  -0.339   7.877
  135    HA   LEU  16           HA       LEU  16   3.828   0.905   8.355
  136   1HB   LEU  16          1HB       LEU  16   1.429   1.619   6.585
  137   2HB   LEU  16          2HB       LEU  16   2.844   2.718   6.686
  138    HG   LEU  16           HG       LEU  16   3.047  -0.207   5.799
  139   1HD1  LEU  16          1HD1      LEU  16   2.892   2.393   4.139
  140   2HD1  LEU  16          2HD1      LEU  16   3.279   0.763   3.485
  141   3HD1  LEU  16          3HD1      LEU  16   1.657   1.079   4.205
  142   1HD2  LEU  16          1HD2      LEU  16   5.189   0.700   6.732
  143   2HD2  LEU  16          2HD2      LEU  16   5.300   0.492   4.953
  144   3HD2  LEU  16          3HD2      LEU  16   5.060   2.134   5.649
  145    H    ASN  17           H        ASN  17   0.473   1.803   9.219
  146    HA   ASN  17           HA       ASN  17   1.214   4.433  10.049
  147   1HB   ASN  17          1HB       ASN  17  -1.322   2.751  10.541
  148   2HB   ASN  17          2HB       ASN  17  -1.139   4.480  11.036
  149   2HD2  ASN  17          2HD2      ASN  17  -3.144   3.462   9.178
  150   1HD2  ASN  17          1HD2      ASN  17  -2.880   4.273   7.668
  151    H    SER  18           H        SER  18   1.085   1.238  11.548
  152    HA   SER  18           HA       SER  18   1.041   2.211  14.227
  153   1HB   SER  18          1HB       SER  18   0.126  -0.050  13.538
  154   2HB   SER  18          2HB       SER  18   1.795  -0.581  13.142
  155    HG   SER  18           HG       SER  18   0.672   0.128  15.645
  156    H    ALA  19           H        ALA  19   3.543   0.581  12.153
  157    HA   ALA  19           HA       ALA  19   5.623   1.386  14.034
  158   1HB   ALA  19          1HB       ALA  19   5.531  -1.020  13.307
  159   2HB   ALA  19          2HB       ALA  19   5.678  -0.500  11.592
  160   3HB   ALA  19          3HB       ALA  19   7.043  -0.226  12.744
  161    H    ARG  20           H        ARG  20   4.679   3.642  12.855
  162    HA   ARG  20           HA       ARG  20   6.132   4.111  10.382
  163   1HB   ARG  20          1HB       ARG  20   3.676   4.925  11.060
  164   2HB   ARG  20          2HB       ARG  20   4.533   6.228  11.911
  165   1HG   ARG  20          1HG       ARG  20   5.730   6.733   9.654
  166   2HG   ARG  20          2HG       ARG  20   4.683   5.470   8.925
  167   1HD   ARG  20          1HD       ARG  20   3.616   7.577   8.441
  168   2HD   ARG  20          2HD       ARG  20   2.628   6.819   9.754
  169    HE   ARG  20           HE       ARG  20   3.949   8.243  11.401
  170   1HH1  ARG  20          1HH1      ARG  20   3.709   9.355   7.981
  171   2HH1  ARG  20          2HH1      ARG  20   4.119  10.981   8.348
  172   1HH2  ARG  20          1HH2      ARG  20   4.499  10.425  11.861
  173   2HH2  ARG  20          2HH2      ARG  20   4.587  11.611  10.605
  174    H    GLU  21           H        GLU  21   5.898   5.171  13.770
  175    HA   GLU  21           HA       GLU  21   7.787   7.227  13.589
  176   1HB   GLU  21          1HB       GLU  21   6.367   5.801  15.893
  177   2HB   GLU  21          2HB       GLU  21   7.637   7.024  16.219
  178   1HG   GLU  21          1HG       GLU  21   5.389   8.017  16.380
  179   2HG   GLU  21          2HG       GLU  21   6.389   8.797  15.106
  180    H    SER  22           H        SER  22   8.023   3.759  14.304
  181    HA   SER  22           HA       SER  22  10.525   3.920  15.625
  182   1HB   SER  22          1HB       SER  22  10.545   1.386  15.265
  183   2HB   SER  22          2HB       SER  22   9.111   2.035  16.135
  184    HG   SER  22           HG       SER  22   9.311   1.123  13.483
  185    H    ILE  23           H        ILE  23   9.475   3.613  12.238
  186    HA   ILE  23           HA       ILE  23  11.956   2.708  11.237
  187    HB   ILE  23           HB       ILE  23   9.510   3.963   9.931
  188   1HG1  ILE  23          1HG1      ILE  23  10.700   1.111   9.935
  189   2HG1  ILE  23          2HG1      ILE  23   9.326   1.654  10.949
  190   1HG2  ILE  23          1HG2      ILE  23  12.057   2.866   8.552
  191   2HG2  ILE  23          2HG2      ILE  23  10.525   3.304   7.715
  192   3HG2  ILE  23          3HG2      ILE  23  11.482   4.577   8.515
  193   1HD1  ILE  23          1HD1      ILE  23   7.983   2.140   8.873
  194   2HD1  ILE  23          2HD1      ILE  23   9.334   1.500   7.860
  195   3HD1  ILE  23          3HD1      ILE  23   8.474   0.414   9.009
  196    H    LYS  24           H        LYS  24  10.429   5.993  11.578
  197    HA   LYS  24           HA       LYS  24  12.563   7.166  10.156
  198   1HB   LYS  24          1HB       LYS  24  11.584   9.322  10.544
  199   2HB   LYS  24          2HB       LYS  24  10.351   8.124  10.057
  200   1HG   LYS  24          1HG       LYS  24   9.275   9.394  11.651
  201   2HG   LYS  24          2HG       LYS  24   9.723   7.916  12.567
  202   1HD   LYS  24          1HD       LYS  24  11.523   9.155  13.730
  203   2HD   LYS  24          2HD       LYS  24  11.398  10.513  12.563
  204   1HE   LYS  24          1HE       LYS  24  10.391  11.138  14.739
  205   2HE   LYS  24          2HE       LYS  24   9.128  11.103  13.443
  206   1HZ   LYS  24          1HZ       LYS  24   9.670   8.906  15.372
  207   2HZ   LYS  24          2HZ       LYS  24   8.433  10.067  15.507
  208   3HZ   LYS  24          3HZ       LYS  24   8.433   8.970  14.212
  209    H    ARG  25           H        ARG  25  12.384   6.131  13.427
  210    HA   ARG  25           HA       ARG  25  14.296   7.993  14.475
  211   1HB   ARG  25          1HB       ARG  25  13.288   5.240  15.393
  212   2HB   ARG  25          2HB       ARG  25  14.590   6.123  16.263
  213   1HG   ARG  25          1HG       ARG  25  13.125   7.997  16.756
  214   2HG   ARG  25          2HG       ARG  25  11.784   7.277  15.801
  215   1HD   ARG  25          1HD       ARG  25  11.657   5.334  17.380
  216   2HD   ARG  25          2HD       ARG  25  13.087   5.972  18.288
  217    HE   ARG  25           HE       ARG  25  10.482   7.517  17.999
  218   1HH1  ARG  25          1HH1      ARG  25  13.058   6.184  20.116
  219   2HH1  ARG  25          2HH1      ARG  25  12.448   6.931  21.545
  220   1HH2  ARG  25          1HH2      ARG  25   9.689   8.518  19.955
  221   2HH2  ARG  25          2HH2      ARG  25  10.507   8.273  21.449
  222    H    GLU  26           H        GLU  26  14.334   4.614  13.174
  223    HA   GLU  26           HA       GLU  26  17.218   4.526  13.501
  224   1HB   GLU  26          1HB       GLU  26  15.219   2.368  12.638
  225   2HB   GLU  26          2HB       GLU  26  16.973   2.118  12.983
  226   1HG   GLU  26          1HG       GLU  26  16.601   2.885  15.359
  227   2HG   GLU  26          2HG       GLU  26  14.831   3.019  15.030
  228    H    ASN  27           H        ASN  27  15.892   6.242  11.350
  229    HA   ASN  27           HA       ASN  27  17.605   5.230   9.228
  230   1HB   ASN  27          1HB       ASN  27  14.685   6.164   8.922
  231   2HB   ASN  27          2HB       ASN  27  15.881   6.504   7.620
  232   2HD2  ASN  27          2HD2      ASN  27  14.431   3.762   9.505
  233   1HD2  ASN  27          1HD2      ASN  27  14.706   2.563   8.281
  234    HA   PRO  28           HA       PRO  28  18.974   9.302  10.044
  235   1HB   PRO  28          1HB       PRO  28  20.653   9.823   7.936
  236   2HB   PRO  28          2HB       PRO  28  20.893   8.382   8.983
  237   1HG   PRO  28          1HG       PRO  28  19.411   8.460   6.293
  238   2HG   PRO  28          2HG       PRO  28  20.783   7.375   6.777
  239   1HD   PRO  28          1HD       PRO  28  18.115   6.619   7.028
  240   2HD   PRO  28          2HD       PRO  28  19.377   6.108   8.245
  241    H    GLY  29           H        GLY  29  16.364   9.808   9.496
  242   1HA   GLY  29          1HA       GLY  29  16.535  12.315   8.090
  243   2HA   GLY  29          2HA       GLY  29  15.149  11.605   9.006
  244    H    ILE  30           H        ILE  30  14.204   9.565   7.963
  245    HA   ILE  30           HA       ILE  30  14.332   9.516   5.081
  246    HB   ILE  30           HB       ILE  30  14.436   7.467   6.439
  247   1HG1  ILE  30          1HG1      ILE  30  11.923   7.506   4.698
  248   2HG1  ILE  30          2HG1      ILE  30  13.605   7.499   4.058
  249   1HG2  ILE  30          1HG2      ILE  30  12.883   8.234   8.287
  250   2HG2  ILE  30          2HG2      ILE  30  11.484   8.044   7.164
  251   3HG2  ILE  30          3HG2      ILE  30  12.459   6.612   7.646
  252   1HD1  ILE  30          1HD1      ILE  30  14.029   5.317   5.268
  253   2HD1  ILE  30          2HD1      ILE  30  12.307   5.301   5.810
  254   3HD1  ILE  30          3HD1      ILE  30  12.702   5.204   4.056
  255    H    LYS  31           H        LYS  31  12.431   9.899   3.730
  256    HA   LYS  31           HA       LYS  31  10.664  11.889   4.900
  257   1HB   LYS  31          1HB       LYS  31  11.026  10.912   2.011
  258   2HB   LYS  31          2HB       LYS  31   9.748  12.063   2.526
  259   1HG   LYS  31          1HG       LYS  31  11.448  13.377   1.577
  260   2HG   LYS  31          2HG       LYS  31  11.504  13.660   3.350
  261   1HD   LYS  31          1HD       LYS  31  13.518  12.176   3.512
  262   2HD   LYS  31          2HD       LYS  31  13.399  11.823   1.750
  263   1HE   LYS  31          1HE       LYS  31  13.842  14.245   1.236
  264   2HE   LYS  31          2HE       LYS  31  13.928  14.606   3.009
  265   1HZ   LYS  31          1HZ       LYS  31  15.699  12.743   1.514
  266   2HZ   LYS  31          2HZ       LYS  31  16.093  14.311   2.038
  267   3HZ   LYS  31          3HZ       LYS  31  15.780  13.087   3.174
  268    H    VAL  32           H        VAL  32   8.274  11.681   4.332
  269    HA   VAL  32           HA       VAL  32   7.475   9.383   5.689
  270    HB   VAL  32           HB       VAL  32   5.176  10.316   5.483
  271   1HG1  VAL  32          1HG1      VAL  32   6.757  10.896   7.335
  272   2HG1  VAL  32          2HG1      VAL  32   7.400  12.279   6.370
  273   3HG1  VAL  32          3HG1      VAL  32   5.684  12.280   6.911
  274   1HG2  VAL  32          1HG2      VAL  32   5.396  11.388   3.214
  275   2HG2  VAL  32          2HG2      VAL  32   4.893  12.573   4.462
  276   3HG2  VAL  32          3HG2      VAL  32   6.592  12.567   3.872
  277    H    THR  33           H        THR  33   7.548  10.131   2.246
  278    HA   THR  33           HA       THR  33   5.630   8.156   1.513
  279    HB   THR  33           HB       THR  33   7.768   9.493  -0.225
  280    HG1  THR  33           HG1      THR  33   5.160  10.372   0.441
  281   1HG2  THR  33          1HG2      THR  33   4.973   8.296  -0.862
  282   2HG2  THR  33          2HG2      THR  33   6.044   9.145  -2.039
  283   3HG2  THR  33          3HG2      THR  33   6.560   7.579  -1.327
  284    H    GLU  34           H        GLU  34   9.121   8.343   2.079
  285    HA   GLU  34           HA       GLU  34   9.774   5.952   0.674
  286   1HB   GLU  34          1HB       GLU  34  11.366   7.620   2.685
  287   2HB   GLU  34          2HB       GLU  34  12.051   6.322   1.638
  288   1HG   GLU  34          1HG       GLU  34  11.471   7.690  -0.394
  289   2HG   GLU  34          2HG       GLU  34  10.802   8.986   0.670
  290    H    VAL  35           H        VAL  35   8.243   6.481   3.673
  291    HA   VAL  35           HA       VAL  35   9.450   4.397   5.183
  292    HB   VAL  35           HB       VAL  35   6.696   5.718   5.427
  293   1HG1  VAL  35          1HG1      VAL  35   8.275   3.909   7.382
  294   2HG1  VAL  35          2HG1      VAL  35   6.795   4.844   7.805
  295   3HG1  VAL  35          3HG1      VAL  35   6.694   3.514   6.606
  296   1HG2  VAL  35          1HG2      VAL  35   9.412   6.241   6.826
  297   2HG2  VAL  35          2HG2      VAL  35   8.567   7.340   5.673
  298   3HG2  VAL  35          3HG2      VAL  35   7.842   7.004   7.280
  299    H    ALA  36           H        ALA  36   6.958   4.642   2.663
  300    HA   ALA  36           HA       ALA  36   5.904   2.023   3.080
  301   1HB   ALA  36          1HB       ALA  36   4.690   2.423   0.936
  302   2HB   ALA  36          2HB       ALA  36   4.526   3.833   2.041
  303   3HB   ALA  36          3HB       ALA  36   5.676   3.909   0.658
  304    H    LYS  37           H        LYS  37   8.838   3.191   1.706
  305    HA   LYS  37           HA       LYS  37   9.073   0.993  -0.200
  306   1HB   LYS  37          1HB       LYS  37   9.887   3.263  -0.872
  307   2HB   LYS  37          2HB       LYS  37  11.019   3.272   0.517
  308   1HG   LYS  37          1HG       LYS  37  12.207   1.275  -0.445
  309   2HG   LYS  37          2HG       LYS  37  11.042   1.259  -1.818
  310   1HD   LYS  37          1HD       LYS  37  11.849   3.527  -2.522
  311   2HD   LYS  37          2HD       LYS  37  12.935   3.589  -1.093
  312   1HE   LYS  37          1HE       LYS  37  14.234   2.998  -3.127
  313   2HE   LYS  37          2HE       LYS  37  14.228   1.611  -1.964
  314   1HZ   LYS  37          1HZ       LYS  37  12.471   0.607  -3.266
  315   2HZ   LYS  37          2HZ       LYS  37  12.487   1.905  -4.360
  316   3HZ   LYS  37          3HZ       LYS  37  13.850   0.903  -4.211
  317    H    ARG  38           H        ARG  38  10.771   2.400   2.689
  318    HA   ARG  38           HA       ARG  38  12.541   0.215   2.802
  319   1HB   ARG  38          1HB       ARG  38  12.977   2.662   3.566
  320   2HB   ARG  38          2HB       ARG  38  12.032   2.267   5.036
  321   1HG   ARG  38          1HG       ARG  38  14.384   2.043   5.576
  322   2HG   ARG  38          2HG       ARG  38  13.699   0.386   5.504
  323   1HD   ARG  38          1HD       ARG  38  14.624   0.244   3.070
  324   2HD   ARG  38          2HD       ARG  38  15.484   1.794   3.381
  325    HE   ARG  38           HE       ARG  38  16.039  -0.914   4.462
  326   1HH1  ARG  38          1HH1      ARG  38  16.686   2.598   4.888
  327   2HH1  ARG  38          2HH1      ARG  38  18.225   2.366   5.621
  328   1HH2  ARG  38          1HH2      ARG  38  18.113  -1.196   5.491
  329   2HH2  ARG  38          2HH2      ARG  38  19.048   0.168   5.985
  330    H    GLY  39           H        GLY  39   9.423   0.921   4.290
  331   1HA   GLY  39          1HA       GLY  39   8.219  -0.099   5.811
  332   2HA   GLY  39          2HA       GLY  39   9.671  -1.003   6.379
  333    H    GLY  40           H        GLY  40   9.332  -1.374   3.010
  334   1HA   GLY  40          1HA       GLY  40   8.547  -2.955   1.704
  335   2HA   GLY  40          2HA       GLY  40   7.455  -3.533   3.023
  336    H    GLU  41           H        GLU  41  10.908  -3.076   3.497
  337    HA   GLU  41           HA       GLU  41  11.741  -5.743   3.014
  338   1HB   GLU  41          1HB       GLU  41  12.989  -3.524   4.761
  339   2HB   GLU  41          2HB       GLU  41  13.831  -5.013   4.200
  340   1HG   GLU  41          1HG       GLU  41  13.657  -4.235   1.835
  341   2HG   GLU  41          2HG       GLU  41  12.736  -2.775   2.358
  342    H    LEU  42           H        LEU  42  10.774  -3.761   5.808
  343    HA   LEU  42           HA       LEU  42  11.380  -5.724   7.767
  344   1HB   LEU  42          1HB       LEU  42   9.773  -3.112   7.876
  345   2HB   LEU  42          2HB       LEU  42  10.306  -4.035   9.327
  346    HG   LEU  42           HG       LEU  42  12.185  -2.758   7.241
  347   1HD1  LEU  42          1HD1      LEU  42  10.879  -1.023   8.432
  348   2HD1  LEU  42          2HD1      LEU  42  11.362  -1.721  10.023
  349   3HD1  LEU  42          3HD1      LEU  42  12.609  -0.995   8.939
  350   1HD2  LEU  42          1HD2      LEU  42  12.786  -3.983  10.013
  351   2HD2  LEU  42          2HD2      LEU  42  13.269  -4.667   8.414
  352   3HD2  LEU  42          3HD2      LEU  42  13.966  -3.105   8.970
  353    H    TRP  43           H        TRP  43   8.593  -5.009   5.768
  354    HA   TRP  43           HA       TRP  43   6.661  -6.212   7.513
  355   1HB   TRP  43          1HB       TRP  43   5.895  -4.482   5.992
  356   2HB   TRP  43          2HB       TRP  43   6.670  -5.287   4.589
  357    HD1  TRP  43           HD1      TRP  43   5.047  -6.691   3.112
  358    HE1  TRP  43           HE1      TRP  43   2.693  -7.642   3.353
  359    HE3  TRP  43           HE3      TRP  43   4.270  -5.518   8.010
  360    HZ2  TRP  43           HZ2      TRP  43   0.732  -7.934   5.424
  361    HZ3  TRP  43           HZ3      TRP  43   2.138  -6.183   9.081
  362    HH2  TRP  43           HH2      TRP  43   0.401  -7.373   7.814
  363    H    ARG  44           H        ARG  44   8.651  -7.140   4.659
  364    HA   ARG  44           HA       ARG  44   7.317  -9.577   4.244
  365   1HB   ARG  44          1HB       ARG  44   8.590  -8.333   2.495
  366   2HB   ARG  44          2HB       ARG  44  10.126  -8.732   3.331
  367   1HG   ARG  44          1HG       ARG  44   9.781 -11.144   2.879
  368   2HG   ARG  44          2HG       ARG  44   8.104 -10.831   2.316
  369   1HD   ARG  44          1HD       ARG  44   9.581 -11.225   0.361
  370   2HD   ARG  44          2HD       ARG  44   8.956  -9.535   0.353
  371    HE   ARG  44           HE       ARG  44  11.107  -8.695   0.923
  372   1HH1  ARG  44          1HH1      ARG  44  11.149 -12.271   0.739
  373   2HH1  ARG  44          2HH1      ARG  44  12.865 -12.388   0.602
  374   1HH2  ARG  44          1HH2      ARG  44  13.444  -8.872   0.757
  375   2HH2  ARG  44          2HH2      ARG  44  14.188 -10.420   0.618
  376    H    ALA  45           H        ALA  45  10.437  -8.708   5.861
  377    HA   ALA  45           HA       ALA  45  10.447 -11.355   7.152
  378   1HB   ALA  45          1HB       ALA  45  12.770 -10.748   7.875
  379   2HB   ALA  45          2HB       ALA  45  12.626  -9.185   6.978
  380   3HB   ALA  45          3HB       ALA  45  12.609 -10.745   6.083
  381    H    MET  46           H        MET  46   8.582 -10.759   8.481
  382    HA   MET  46           HA       MET  46   9.303  -8.921  10.659
  383   1HB   MET  46          1HB       MET  46   7.384  -8.197   9.003
  384   2HB   MET  46          2HB       MET  46   6.412  -9.467   9.765
  385   1HG   MET  46          1HG       MET  46   7.771  -7.685  11.753
  386   2HG   MET  46          2HG       MET  46   6.893  -6.723  10.539
  387   1HE   MET  46          1HE       MET  46   4.445  -6.770  10.040
  388   2HE   MET  46          2HE       MET  46   4.391  -8.545   9.760
  389   3HE   MET  46          3HE       MET  46   3.195  -7.775  10.847
  390    H    LYS  47           H        LYS  47   6.769  -9.914  11.982
  391    HA   LYS  47           HA       LYS  47   7.653 -12.595  12.765
  392   1HB   LYS  47          1HB       LYS  47   5.735 -10.599  14.127
  393   2HB   LYS  47          2HB       LYS  47   6.098 -12.268  14.718
  394   1HG   LYS  47          1HG       LYS  47   8.499 -11.629  14.995
  395   2HG   LYS  47          2HG       LYS  47   8.122  -9.961  14.429
  396   1HD   LYS  47          1HD       LYS  47   6.541  -9.664  16.343
  397   2HD   LYS  47          2HD       LYS  47   6.912 -11.332  16.911
  398   1HE   LYS  47          1HE       LYS  47   9.322 -10.677  17.273
  399   2HE   LYS  47          2HE       LYS  47   8.945  -8.998  16.708
  400   1HZ   LYS  47          1HZ       LYS  47   7.748 -10.367  19.063
  401   2HZ   LYS  47          2HZ       LYS  47   8.953  -9.172  19.090
  402   3HZ   LYS  47          3HZ       LYS  47   7.394  -8.792  18.534
  403    H    ASP  48           H        ASP  48   4.377 -11.758  13.442
  404    HA   ASP  48           HA       ASP  48   3.471 -13.502  11.269
  405   1HB   ASP  48          1HB       ASP  48   2.072 -12.588  13.864
  406   2HB   ASP  48          2HB       ASP  48   1.356 -13.684  12.621
  407    H    LYS  49           H        LYS  49   1.618 -12.867  10.053
  408    HA   LYS  49           HA       LYS  49   1.157  -9.963   9.943
  409   1HB   LYS  49          1HB       LYS  49   0.757 -12.138   7.806
  410   2HB   LYS  49          2HB       LYS  49   0.351 -10.395   7.610
  411   1HG   LYS  49          1HG       LYS  49   2.749  -9.786   7.937
  412   2HG   LYS  49          2HG       LYS  49   3.180 -11.524   8.102
  413   1HD   LYS  49          1HD       LYS  49   2.394 -11.966   5.784
  414   2HD   LYS  49          2HD       LYS  49   1.881 -10.249   5.616
  415   1HE   LYS  49          1HE       LYS  49   4.272  -9.501   5.925
  416   2HE   LYS  49          2HE       LYS  49   4.792 -11.231   6.052
  417   1HZ   LYS  49          1HZ       LYS  49   3.920 -11.567   3.814
  418   2HZ   LYS  49          2HZ       LYS  49   3.512  -9.921   3.703
  419   3HZ   LYS  49          3HZ       LYS  49   5.133 -10.382   3.864
  420    H    SER  50           H        SER  50  -0.041 -12.683  11.361
  421    HA   SER  50           HA       SER  50  -2.611 -12.954  10.359
  422   1HB   SER  50          1HB       SER  50  -3.019 -14.358  12.420
  423   2HB   SER  50          2HB       SER  50  -1.556 -14.815  11.476
  424    HG   SER  50           HG       SER  50  -1.163 -14.725  13.694
  425    H    GLU  51           H        GLU  51  -1.272 -10.852  12.854
  426    HA   GLU  51           HA       GLU  51  -3.626 -10.271  14.243
  427   1HB   GLU  51          1HB       GLU  51  -1.110  -8.536  13.816
  428   2HB   GLU  51          2HB       GLU  51  -2.336  -8.308  15.115
  429   1HG   GLU  51          1HG       GLU  51  -1.721 -10.529  16.094
  430   2HG   GLU  51          2HG       GLU  51  -0.501 -10.789  14.790
  431    H    TRP  52           H        TRP  52  -1.986  -8.823  11.430
  432    HA   TRP  52           HA       TRP  52  -3.616  -6.478  11.483
  433   1HB   TRP  52          1HB       TRP  52  -1.555  -7.391   9.395
  434   2HB   TRP  52          2HB       TRP  52  -2.217  -5.727   9.614
  435    HD1  TRP  52           HD1      TRP  52   0.671  -7.903  10.752
  436    HE1  TRP  52           HE1      TRP  52   1.931  -6.782  12.681
  437    HE3  TRP  52           HE3      TRP  52  -2.684  -4.210  11.788
  438    HZ2  TRP  52           HZ2      TRP  52   1.594  -4.487  14.363
  439    HZ3  TRP  52           HZ3      TRP  52  -2.160  -2.558  13.554
  440    HH2  TRP  52           HH2      TRP  52  -0.053  -2.705  14.831
  441    H    GLU  53           H        GLU  53  -3.422  -9.523   9.585
  442    HA   GLU  53           HA       GLU  53  -5.077  -8.513   7.511
  443   1HB   GLU  53          1HB       GLU  53  -5.030 -10.728   6.544
  444   2HB   GLU  53          2HB       GLU  53  -3.388 -10.266   7.103
  445   1HG   GLU  53          1HG       GLU  53  -3.819 -11.635   9.226
  446   2HG   GLU  53          2HG       GLU  53  -5.346 -12.227   8.482
  447    H    ALA  54           H        ALA  54  -5.663 -10.103  10.618
  448    HA   ALA  54           HA       ALA  54  -8.324 -10.929   9.991
  449   1HB   ALA  54          1HB       ALA  54  -6.903 -10.551  12.704
  450   2HB   ALA  54          2HB       ALA  54  -6.987 -12.084  11.767
  451   3HB   ALA  54          3HB       ALA  54  -8.492 -11.377  12.458
  452    H    LYS  55           H        LYS  55  -6.710  -8.086  11.328
  453    HA   LYS  55           HA       LYS  55  -9.017  -6.832  12.388
  454   1HB   LYS  55          1HB       LYS  55  -6.624  -6.499  13.126
  455   2HB   LYS  55          2HB       LYS  55  -6.279  -5.670  11.577
  456   1HG   LYS  55          1HG       LYS  55  -7.949  -3.888  12.171
  457   2HG   LYS  55          2HG       LYS  55  -8.307  -4.737  13.716
  458   1HD   LYS  55          1HD       LYS  55  -5.568  -3.582  12.879
  459   2HD   LYS  55          2HD       LYS  55  -6.755  -2.785  13.972
  460   1HE   LYS  55          1HE       LYS  55  -6.519  -4.681  15.622
  461   2HE   LYS  55          2HE       LYS  55  -5.296  -5.465  14.544
  462   1HZ   LYS  55          1HZ       LYS  55  -5.054  -2.781  15.791
  463   2HZ   LYS  55          2HZ       LYS  55  -4.281  -4.208  16.288
  464   3HZ   LYS  55          3HZ       LYS  55  -3.911  -3.526  14.779
  465    H    ALA  56           H        ALA  56  -7.134  -6.695   9.345
  466    HA   ALA  56           HA       ALA  56  -8.580  -4.584   8.168
  467   1HB   ALA  56          1HB       ALA  56  -6.262  -5.191   7.449
  468   2HB   ALA  56          2HB       ALA  56  -6.868  -6.798   6.866
  469   3HB   ALA  56          3HB       ALA  56  -7.425  -5.262   6.060
  470    H    ALA  57           H        ALA  57  -8.971  -8.141   8.244
  471    HA   ALA  57           HA       ALA  57 -10.758  -8.306   6.075
  472   1HB   ALA  57          1HB       ALA  57 -11.225 -10.627   6.915
  473   2HB   ALA  57          2HB       ALA  57 -10.311 -10.244   8.425
  474   3HB   ALA  57          3HB       ALA  57  -9.464 -10.290   6.837
  475    H    LYS  58           H        LYS  58 -11.146  -7.578   9.515
  476    HA   LYS  58           HA       LYS  58 -13.924  -8.118   9.647
  477   1HB   LYS  58          1HB       LYS  58 -12.381  -7.962  11.634
  478   2HB   LYS  58          2HB       LYS  58 -12.230  -6.196  11.356
  479   1HG   LYS  58          1HG       LYS  58 -14.744  -5.988  11.642
  480   2HG   LYS  58          2HG       LYS  58 -14.832  -7.737  12.023
  481   1HD   LYS  58          1HD       LYS  58 -13.224  -5.643  13.648
  482   2HD   LYS  58          2HD       LYS  58 -14.917  -6.132  13.969
  483   1HE   LYS  58          1HE       LYS  58 -13.613  -7.365  15.538
  484   2HE   LYS  58          2HE       LYS  58 -14.119  -8.557  14.276
  485   1HZ   LYS  58          1HZ       LYS  58 -11.471  -7.212  14.487
  486   2HZ   LYS  58          2HZ       LYS  58 -11.832  -8.814  14.914
  487   3HZ   LYS  58          3HZ       LYS  58 -11.927  -8.326  13.291
  488    H    ALA  59           H        ALA  59 -11.889  -5.221   9.002
  489    HA   ALA  59           HA       ALA  59 -14.047  -3.429   8.736
  490   1HB   ALA  59          1HB       ALA  59 -11.178  -3.229   7.628
  491   2HB   ALA  59          2HB       ALA  59 -12.346  -1.863   7.821
  492   3HB   ALA  59          3HB       ALA  59 -11.697  -2.705   9.270
  493    H    LYS  60           H        LYS  60 -12.660  -5.826   6.611
  494    HA   LYS  60           HA       LYS  60 -13.386  -4.615   4.157
  495   1HB   LYS  60          1HB       LYS  60 -11.575  -6.475   4.681
  496   2HB   LYS  60          2HB       LYS  60 -12.941  -7.621   4.614
  497   1HG   LYS  60          1HG       LYS  60 -11.891  -7.663   2.483
  498   2HG   LYS  60          2HG       LYS  60 -13.389  -6.706   2.210
  499   1HD   LYS  60          1HD       LYS  60 -12.091  -4.605   2.251
  500   2HD   LYS  60          2HD       LYS  60 -10.625  -5.480   2.826
  501   1HE   LYS  60          1HE       LYS  60 -10.515  -6.733   0.634
  502   2HE   LYS  60          2HE       LYS  60 -11.939  -5.784   0.037
  503   1HZ   LYS  60          1HZ       LYS  60  -9.327  -4.660   0.918
  504   2HZ   LYS  60          2HZ       LYS  60  -9.843  -4.870  -0.685
  505   3HZ   LYS  60          3HZ       LYS  60 -10.652  -3.776   0.331
  506    H    ASP  61           H        ASP  61 -14.787  -7.080   6.354
  507    HA   ASP  61           HA       ASP  61 -16.928  -7.765   4.649
  508   1HB   ASP  61          1HB       ASP  61 -15.902  -9.238   6.475
  509   2HB   ASP  61          2HB       ASP  61 -16.712  -8.210   7.701
  510    H    ASP  62           H        ASP  62 -16.578  -5.693   7.590
  511    HA   ASP  62           HA       ASP  62 -19.266  -4.952   7.728
  512   1HB   ASP  62          1HB       ASP  62 -16.696  -3.751   8.901
  513   2HB   ASP  62          2HB       ASP  62 -18.295  -2.962   9.150
  514    H    TYR  63           H        TYR  63 -16.671  -3.757   5.648
  515    HA   TYR  63           HA       TYR  63 -17.915  -1.274   5.052
  516   1HB   TYR  63          1HB       TYR  63 -15.498  -1.639   4.568
  517   2HB   TYR  63          2HB       TYR  63 -15.903  -2.975   3.439
  518    HD1  TYR  63           HD1      TYR  63 -17.268   0.580   3.870
  519    HD2  TYR  63           HD2      TYR  63 -15.332  -2.287   1.308
  520    HE1  TYR  63           HE1      TYR  63 -17.060   2.287   2.121
  521    HE2  TYR  63           HE2      TYR  63 -15.119  -0.571  -0.447
  522    HH   TYR  63           HH       TYR  63 -15.205   1.681  -0.874
  523    H    ASP  64           H        ASP  64 -17.689  -4.436   3.302
  524    HA   ASP  64           HA       ASP  64 -19.249  -3.707   1.165
  525   1HB   ASP  64          1HB       ASP  64 -17.609  -5.664   1.325
  526   2HB   ASP  64          2HB       ASP  64 -18.834  -6.551   2.297
  527    H    ARG  65           H        ARG  65 -20.146  -5.230   4.269
  528    HA   ARG  65           HA       ARG  65 -22.781  -5.889   3.561
  529   1HB   ARG  65          1HB       ARG  65 -21.422  -6.901   5.450
  530   2HB   ARG  65          2HB       ARG  65 -21.598  -5.367   6.358
  531   1HG   ARG  65          1HG       ARG  65 -24.109  -5.694   6.355
  532   2HG   ARG  65          2HG       ARG  65 -23.882  -7.211   5.410
  533   1HD   ARG  65          1HD       ARG  65 -22.501  -8.157   7.356
  534   2HD   ARG  65          2HD       ARG  65 -22.862  -6.656   8.287
  535    HE   ARG  65           HE       ARG  65 -25.131  -7.308   8.509
  536   1HH1  ARG  65          1HH1      ARG  65 -23.374  -9.625   6.418
  537   2HH1  ARG  65          2HH1      ARG  65 -24.618 -10.820   6.447
  538   1HH2  ARG  65          1HH2      ARG  65 -26.821  -8.947   8.533
  539   2HH2  ARG  65          2HH2      ARG  65 -26.604 -10.427   7.675
  540    H    ALA  66           H        ALA  66 -21.299  -3.071   5.286
  541    HA   ALA  66           HA       ALA  66 -23.802  -2.010   6.017
  542   1HB   ALA  66          1HB       ALA  66 -21.775  -1.590   7.379
  543   2HB   ALA  66          2HB       ALA  66 -22.521  -0.044   6.847
  544   3HB   ALA  66          3HB       ALA  66 -21.042  -0.670   6.017
  545    H    VAL  67           H        VAL  67 -21.610  -1.375   3.208
  546    HA   VAL  67           HA       VAL  67 -22.866   1.054   2.529
  547    HB   VAL  67           HB       VAL  67 -21.845   0.855   0.292
  548   1HG1  VAL  67          1HG1      VAL  67 -20.001   0.367   2.720
  549   2HG1  VAL  67          2HG1      VAL  67 -19.489   0.998   1.114
  550   3HG1  VAL  67          3HG1      VAL  67 -20.643   1.940   2.119
  551   1HG2  VAL  67          1HG2      VAL  67 -20.840  -1.884   1.317
  552   2HG2  VAL  67          2HG2      VAL  67 -21.945  -1.596  -0.072
  553   3HG2  VAL  67          3HG2      VAL  67 -20.243  -1.031  -0.145
  554    H    LYS  68           H        LYS  68 -23.732  -2.311   1.977
  555    HA   LYS  68           HA       LYS  68 -25.407  -1.892  -0.242
  556   1HB   LYS  68          1HB       LYS  68 -24.449  -4.141   0.595
  557   2HB   LYS  68          2HB       LYS  68 -25.655  -4.071   1.914
  558   1HG   LYS  68          1HG       LYS  68 -27.449  -3.866  -0.031
  559   2HG   LYS  68          2HG       LYS  68 -26.096  -4.280  -1.126
  560   1HD   LYS  68          1HD       LYS  68 -27.292  -6.317  -0.693
  561   2HD   LYS  68          2HD       LYS  68 -25.739  -6.423   0.200
  562   1HE   LYS  68          1HE       LYS  68 -27.640  -7.310   1.565
  563   2HE   LYS  68          2HE       LYS  68 -26.949  -5.838   2.354
  564   1HZ   LYS  68          1HZ       LYS  68 -29.379  -5.929   0.639
  565   2HZ   LYS  68          2HZ       LYS  68 -29.342  -5.827   2.334
  566   3HZ   LYS  68          3HZ       LYS  68 -28.735  -4.551   1.393
  567    H    GLU  69           H        GLU  69 -25.877  -1.919   3.309
  568    HA   GLU  69           HA       GLU  69 -28.707  -1.679   3.188
  569   1HB   GLU  69          1HB       GLU  69 -26.705  -1.301   5.490
  570   2HB   GLU  69          2HB       GLU  69 -28.494  -1.411   5.681
  571   1HG   GLU  69          1HG       GLU  69 -28.489  -3.729   4.786
  572   2HG   GLU  69          2HG       GLU  69 -26.713  -3.655   4.493
  573    H    PHE  70           H        PHE  70 -25.937   0.511   3.508
  574    HA   PHE  70           HA       PHE  70 -27.286   2.771   4.440
  575   1HB   PHE  70          1HB       PHE  70 -24.798   2.391   4.617
  576   2HB   PHE  70          2HB       PHE  70 -24.660   2.473   2.829
  577    HD1  PHE  70           HD1      PHE  70 -26.120   4.566   5.663
  578    HD2  PHE  70           HD2      PHE  70 -23.804   4.462   2.038
  579    HE1  PHE  70           HE1      PHE  70 -25.672   6.988   5.874
  580    HE2  PHE  70           HE2      PHE  70 -23.354   6.882   2.258
  581    HZ   PHE  70           HZ       PHE  70 -24.285   8.150   4.177
  582    H    GLU  71           H        GLU  71 -26.264   1.713   1.133
  583    HA   GLU  71           HA       GLU  71 -27.419   4.050  -0.062
  584   1HB   GLU  71          1HB       GLU  71 -26.098   1.570  -1.285
  585   2HB   GLU  71          2HB       GLU  71 -26.615   3.030  -2.207
  586   1HG   GLU  71          1HG       GLU  71 -25.037   4.455  -0.891
  587   2HG   GLU  71          2HG       GLU  71 -24.512   3.021   0.064
  588    H    ALA  72           H        ALA  72 -28.774   1.137   1.045
  589    HA   ALA  72           HA       ALA  72 -30.777   1.002  -1.077
  590   1HB   ALA  72          1HB       ALA  72 -30.037  -1.174  -0.148
  591   2HB   ALA  72          2HB       ALA  72 -31.755  -0.871   0.275
  592   3HB   ALA  72          3HB       ALA  72 -30.462  -0.628   1.514
  593    H    ASN  73           H        ASN  73 -31.103   3.432  -0.437
  594    HA   ASN  73           HA       ASN  73 -33.486   3.521   1.112
  595   1HB   ASN  73          1HB       ASN  73 -31.659   3.896   2.903
  596   2HB   ASN  73          2HB       ASN  73 -31.048   5.270   1.923
  597   2HD2  ASN  73          2HD2      ASN  73 -34.353   4.118   3.039
  598   1HD2  ASN  73          1HD2      ASN  73 -34.848   5.641   3.698
  599    H    GLY  74           H        GLY  74 -34.715   5.376   0.320
  600   1HA   GLY  74          1HA       GLY  74 -34.166   6.000  -2.295
  601   2HA   GLY  74          2HA       GLY  74 -33.649   7.386  -1.234

  No H/Q in entry =         601
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1 -18.317   9.117 -11.139
    2    H2   MET   1           H2       MET   1 -16.957   8.171 -11.459
    3    H3   MET   1           H3       MET   1 -17.315   9.500 -12.461
    4    HA   MET   1           HA       MET   1 -19.359   8.445 -13.147
    5   1HB   MET   1          1HB       MET   1 -16.832   6.701 -13.509
    6   2HB   MET   1          2HB       MET   1 -18.356   6.480 -14.449
    7   1HG   MET   1          1HG       MET   1 -18.160   8.774 -15.358
    8   2HG   MET   1          2HG       MET   1 -16.626   9.019 -14.462
    9   1HE   MET   1          1HE       MET   1 -15.599   9.798 -16.721
   10   2HE   MET   1          2HE       MET   1 -15.561   8.829 -18.232
   11   3HE   MET   1          3HE       MET   1 -17.127   9.438 -17.599
   12    H    SER   2           H        SER   2 -17.985   5.294 -12.675
   13    HA   SER   2           HA       SER   2 -19.985   4.661 -10.644
   14   1HB   SER   2          1HB       SER   2 -18.056   2.848 -12.229
   15   2HB   SER   2          2HB       SER   2 -19.308   2.283 -11.053
   16    HG   SER   2           HG       SER   2 -20.869   3.002 -12.405
   17    H    ASP   3           H        ASP   3 -19.310   4.996  -8.588
   18    HA   ASP   3           HA       ASP   3 -16.477   4.521  -7.925
   19   1HB   ASP   3          1HB       ASP   3 -18.476   6.555  -6.709
   20   2HB   ASP   3          2HB       ASP   3 -16.861   6.155  -6.019
   21    H    LYS   4           H        LYS   4 -16.257   2.973  -6.256
   22    HA   LYS   4           HA       LYS   4 -18.479   2.336  -4.611
   23   1HB   LYS   4          1HB       LYS   4 -18.955   1.170  -6.890
   24   2HB   LYS   4          2HB       LYS   4 -17.516   0.153  -6.580
   25   1HG   LYS   4          1HG       LYS   4 -18.634  -0.814  -4.572
   26   2HG   LYS   4          2HG       LYS   4 -19.947   0.415  -4.696
   27   1HD   LYS   4          1HD       LYS   4 -20.550  -0.495  -6.968
   28   2HD   LYS   4          2HD       LYS   4 -19.381  -1.841  -6.710
   29   1HE   LYS   4          1HE       LYS   4 -20.701  -2.632  -4.732
   30   2HE   LYS   4          2HE       LYS   4 -21.801  -1.199  -4.873
   31   1HZ   LYS   4          1HZ       LYS   4 -22.471  -1.983  -7.033
   32   2HZ   LYS   4          2HZ       LYS   4 -21.453  -3.338  -6.910
   33   3HZ   LYS   4          3HZ       LYS   4 -22.759  -3.153  -5.840
   34    HA   PRO   5           HA       PRO   5 -14.559   1.503  -2.730
   35   1HB   PRO   5          1HB       PRO   5 -15.252   0.364  -0.260
   36   2HB   PRO   5          2HB       PRO   5 -15.559   2.094  -0.668
   37   1HG   PRO   5          1HG       PRO   5 -17.523  -0.251  -0.918
   38   2HG   PRO   5          2HG       PRO   5 -17.791   1.351  -0.111
   39   1HD   PRO   5          1HD       PRO   5 -18.613   0.869  -2.704
   40   2HD   PRO   5          2HD       PRO   5 -17.906   2.487  -2.244
   41    H    LYS   6           H        LYS   6 -13.021  -0.272  -2.042
   42    HA   LYS   6           HA       LYS   6 -13.976  -2.969  -2.580
   43   1HB   LYS   6          1HB       LYS   6 -13.292  -2.030  -4.819
   44   2HB   LYS   6          2HB       LYS   6 -11.676  -1.648  -4.150
   45   1HG   LYS   6          1HG       LYS   6 -11.235  -4.076  -3.797
   46   2HG   LYS   6          2HG       LYS   6 -12.903  -4.478  -4.346
   47   1HD   LYS   6          1HD       LYS   6 -12.421  -3.521  -6.591
   48   2HD   LYS   6          2HD       LYS   6 -10.760  -3.077  -6.075
   49   1HE   LYS   6          1HE       LYS   6 -11.874  -5.972  -6.248
   50   2HE   LYS   6          2HE       LYS   6 -10.794  -5.171  -7.460
   51   1HZ   LYS   6          1HZ       LYS   6  -9.176  -4.884  -5.650
   52   2HZ   LYS   6          2HZ       LYS   6 -10.160  -5.821  -4.633
   53   3HZ   LYS   6          3HZ       LYS   6  -9.501  -6.502  -6.042
   54    H    ARG   7           H        ARG   7 -13.562  -3.456  -0.454
   55    HA   ARG   7           HA       ARG   7 -12.500  -4.159   1.261
   56   1HB   ARG   7          1HB       ARG   7 -11.510  -5.650  -0.440
   57   2HB   ARG   7          2HB       ARG   7 -10.067  -4.591  -0.508
   58   1HG   ARG   7          1HG       ARG   7  -9.647  -5.046   1.939
   59   2HG   ARG   7          2HG       ARG   7 -11.141  -6.048   1.994
   60   1HD   ARG   7          1HD       ARG   7 -10.137  -7.633   0.313
   61   2HD   ARG   7          2HD       ARG   7  -8.605  -6.650   0.308
   62    HE   ARG   7           HE       ARG   7  -9.041  -7.192   3.011
   63   1HH1  ARG   7          1HH1      ARG   7  -8.749  -9.196   0.060
   64   2HH1  ARG   7          2HH1      ARG   7  -8.207 -10.606   0.871
   65   1HH2  ARG   7          1HH2      ARG   7  -8.221  -9.102   4.127
   66   2HH2  ARG   7          2HH2      ARG   7  -7.852 -10.532   3.239
   67    HA   PRO   8           HA       PRO   8 -10.042  -0.458   2.426
   68   1HB   PRO   8          1HB       PRO   8 -11.482   0.295   4.679
   69   2HB   PRO   8          2HB       PRO   8 -12.020   0.730   3.014
   70   1HG   PRO   8          1HG       PRO   8 -12.963  -1.638   4.722
   71   2HG   PRO   8          2HG       PRO   8 -13.979  -0.422   3.839
   72   1HD   PRO   8          1HD       PRO   8 -13.320  -2.916   2.788
   73   2HD   PRO   8          2HD       PRO   8 -13.493  -1.446   1.716
   74    H    LEU   9           H        LEU   9  -8.753  -0.175   4.444
   75    HA   LEU   9           HA       LEU   9  -7.268  -0.893   5.811
   76   1HB   LEU   9          1HB       LEU   9  -9.563  -2.483   7.029
   77   2HB   LEU   9          2HB       LEU   9  -7.918  -2.429   7.731
   78    HG   LEU   9           HG       LEU   9  -8.073   0.089   7.851
   79   1HD1  LEU   9          1HD1      LEU   9 -11.083  -0.390   7.351
   80   2HD1  LEU   9          2HD1      LEU   9 -10.364   1.117   8.030
   81   3HD1  LEU   9          3HD1      LEU   9  -9.966   0.616   6.355
   82   1HD2  LEU   9          1HD2      LEU   9  -8.302  -1.434   9.819
   83   2HD2  LEU   9          2HD2      LEU   9  -9.305   0.052   9.991
   84   3HD2  LEU   9          3HD2      LEU   9 -10.079  -1.515   9.560
   85    H    SER  10           H        SER  10  -5.756  -1.875   4.470
   86    HA   SER  10           HA       SER  10  -5.912  -4.766   4.146
   87   1HB   SER  10          1HB       SER  10  -5.105  -3.321   2.224
   88   2HB   SER  10          2HB       SER  10  -3.715  -2.802   3.240
   89    HG   SER  10           HG       SER  10  -3.289  -4.542   1.797
   90    H    ALA  11           H        ALA  11  -4.135  -6.104   5.036
   91    HA   ALA  11           HA       ALA  11  -3.734  -5.510   7.751
   92   1HB   ALA  11          1HB       ALA  11  -4.018  -7.848   6.915
   93   2HB   ALA  11          2HB       ALA  11  -2.455  -7.682   7.786
   94   3HB   ALA  11          3HB       ALA  11  -2.484  -7.709   5.983
   95    H    TYR  12           H        TYR  12  -1.708  -5.300   4.852
   96    HA   TYR  12           HA       TYR  12   0.747  -4.857   6.158
   97   1HB   TYR  12          1HB       TYR  12   0.611  -5.712   3.820
   98   2HB   TYR  12          2HB       TYR  12  -0.267  -4.224   3.310
   99    HD1  TYR  12           HD1      TYR  12   2.870  -4.613   5.450
  100    HD2  TYR  12           HD2      TYR  12   1.128  -3.188   1.781
  101    HE1  TYR  12           HE1      TYR  12   4.997  -3.534   4.861
  102    HE2  TYR  12           HE2      TYR  12   3.250  -2.086   1.206
  103    HH   TYR  12           HH       TYR  12   5.425  -1.760   1.779
  104    H    MET  13           H        MET  13  -1.940  -2.780   5.045
  105    HA   MET  13           HA       MET  13  -0.517  -0.375   5.107
  106   1HB   MET  13          1HB       MET  13  -2.711  -0.945   3.854
  107   2HB   MET  13          2HB       MET  13  -3.558  -0.710   5.408
  108   1HG   MET  13          1HG       MET  13  -3.752   1.317   4.105
  109   2HG   MET  13          2HG       MET  13  -2.673   1.659   5.485
  110   1HE   MET  13          1HE       MET  13  -3.180   1.324   1.658
  111   2HE   MET  13          2HE       MET  13  -1.526   1.284   0.962
  112   3HE   MET  13          3HE       MET  13  -2.136  -0.125   1.886
  113    H    LEU  14           H        LEU  14  -2.391  -2.172   7.540
  114    HA   LEU  14           HA       LEU  14  -2.557  -0.051   9.407
  115   1HB   LEU  14          1HB       LEU  14  -2.825  -3.085   9.747
  116   2HB   LEU  14          2HB       LEU  14  -3.183  -1.889  11.041
  117    HG   LEU  14           HG       LEU  14  -4.628  -1.996   8.332
  118   1HD1  LEU  14          1HD1      LEU  14  -5.058  -4.058   9.655
  119   2HD1  LEU  14          2HD1      LEU  14  -5.549  -3.059  11.074
  120   3HD1  LEU  14          3HD1      LEU  14  -6.529  -3.022   9.560
  121   1HD2  LEU  14          1HD2      LEU  14  -5.279  -0.411  10.895
  122   2HD2  LEU  14          2HD2      LEU  14  -4.696   0.276   9.331
  123   3HD2  LEU  14          3HD2      LEU  14  -6.305  -0.508   9.417
  124    H    TRP  15           H        TRP  15  -0.177  -2.601   8.714
  125    HA   TRP  15           HA       TRP  15   1.258  -2.275  11.143
  126   1HB   TRP  15          1HB       TRP  15   1.349  -4.379   9.869
  127   2HB   TRP  15          2HB       TRP  15   2.034  -3.525   8.447
  128    HD1  TRP  15           HD1      TRP  15   3.151  -4.809  11.998
  129    HE1  TRP  15           HE1      TRP  15   5.706  -4.739  12.095
  130    HE3  TRP  15           HE3      TRP  15   4.001  -2.480   7.539
  131    HZ2  TRP  15           HZ2      TRP  15   7.846  -3.709  10.496
  132    HZ3  TRP  15           HZ3      TRP  15   6.313  -1.887   6.920
  133    HH2  TRP  15           HH2      TRP  15   8.206  -2.463   8.388
  134    H    LEU  16           H        LEU  16   1.329  -0.750   7.901
  135    HA   LEU  16           HA       LEU  16   3.891   0.302   8.060
  136   1HB   LEU  16          1HB       LEU  16   1.412   1.109   6.472
  137   2HB   LEU  16          2HB       LEU  16   2.902   2.101   6.370
  138    HG   LEU  16           HG       LEU  16   2.857  -0.893   5.726
  139   1HD1  LEU  16          1HD1      LEU  16   1.363   0.320   4.153
  140   2HD1  LEU  16          2HD1      LEU  16   2.656   1.533   3.826
  141   3HD1  LEU  16          3HD1      LEU  16   2.881  -0.181   3.321
  142   1HD2  LEU  16          1HD2      LEU  16   5.122   0.008   6.344
  143   2HD2  LEU  16          2HD2      LEU  16   5.032  -0.407   4.598
  144   3HD2  LEU  16          3HD2      LEU  16   4.932   1.314   5.116
  145    H    ASN  17           H        ASN  17   0.760   1.734   9.185
  146    HA   ASN  17           HA       ASN  17   2.018   4.239   9.678
  147   1HB   ASN  17          1HB       ASN  17  -0.069   4.949  10.792
  148   2HB   ASN  17          2HB       ASN  17  -0.322   4.306   9.142
  149   2HD2  ASN  17          2HD2      ASN  17  -1.859   2.704   8.870
  150   1HD2  ASN  17          1HD2      ASN  17  -2.639   1.847  10.159
  151    H    SER  18           H        SER  18   1.719   1.273  11.499
  152    HA   SER  18           HA       SER  18   2.118   2.447  14.062
  153   1HB   SER  18          1HB       SER  18   0.934   0.229  13.648
  154   2HB   SER  18          2HB       SER  18   2.508  -0.480  13.148
  155    HG   SER  18           HG       SER  18   2.001  -0.877  15.315
  156    H    ALA  19           H        ALA  19   4.118   0.730  11.604
  157    HA   ALA  19           HA       ALA  19   6.475   0.816  13.189
  158   1HB   ALA  19          1HB       ALA  19   6.010  -1.043  11.580
  159   2HB   ALA  19          2HB       ALA  19   6.065   0.125  10.213
  160   3HB   ALA  19          3HB       ALA  19   7.555  -0.213  11.178
  161    H    ARG  20           H        ARG  20   4.936   3.082  11.120
  162    HA   ARG  20           HA       ARG  20   6.787   4.203   9.557
  163   1HB   ARG  20          1HB       ARG  20   4.315   4.808   9.704
  164   2HB   ARG  20          2HB       ARG  20   4.661   5.687  11.211
  165   1HG   ARG  20          1HG       ARG  20   6.332   7.125   9.687
  166   2HG   ARG  20          2HG       ARG  20   5.481   6.338   8.323
  167   1HD   ARG  20          1HD       ARG  20   4.475   8.557   8.801
  168   2HD   ARG  20          2HD       ARG  20   3.280   7.267   9.224
  169    HE   ARG  20           HE       ARG  20   5.113   8.649  11.240
  170   1HH1  ARG  20          1HH1      ARG  20   1.884   7.293  10.448
  171   2HH1  ARG  20          2HH1      ARG  20   1.266   7.518  12.043
  172   1HH2  ARG  20          1HH2      ARG  20   4.258   8.921  13.380
  173   2HH2  ARG  20          2HH2      ARG  20   2.621   8.498  13.718
  174    H    GLU  21           H        GLU  21   6.151   5.067  12.985
  175    HA   GLU  21           HA       GLU  21   7.716   7.357  12.944
  176   1HB   GLU  21          1HB       GLU  21   5.747   6.716  14.505
  177   2HB   GLU  21          2HB       GLU  21   6.925   5.751  15.439
  178   1HG   GLU  21          1HG       GLU  21   6.547   7.969  16.477
  179   2HG   GLU  21          2HG       GLU  21   8.251   7.855  15.906
  180    H    SER  22           H        SER  22   8.423   3.974  13.834
  181    HA   SER  22           HA       SER  22  10.896   4.496  15.090
  182   1HB   SER  22          1HB       SER  22   9.843   1.905  13.786
  183   2HB   SER  22          2HB       SER  22  11.236   2.025  14.931
  184    HG   SER  22           HG       SER  22   9.292   1.415  15.923
  185    H    ILE  23           H        ILE  23   9.860   3.707  11.764
  186    HA   ILE  23           HA       ILE  23  12.414   3.085  10.779
  187    HB   ILE  23           HB       ILE  23   9.761   3.773   9.463
  188   1HG1  ILE  23          1HG1      ILE  23  11.350   1.132   9.701
  189   2HG1  ILE  23          2HG1      ILE  23  10.042   1.611  10.821
  190   1HG2  ILE  23          1HG2      ILE  23  12.367   2.826   8.087
  191   2HG2  ILE  23          2HG2      ILE  23  10.751   2.942   7.302
  192   3HG2  ILE  23          3HG2      ILE  23  11.568   4.429   7.854
  193   1HD1  ILE  23          1HD1      ILE  23   8.411   1.675   8.891
  194   2HD1  ILE  23          2HD1      ILE  23   9.716   1.069   7.799
  195   3HD1  ILE  23          3HD1      ILE  23   9.140   0.050   9.164
  196    H    LYS  24           H        LYS  24  10.559   6.182  11.001
  197    HA   LYS  24           HA       LYS  24  12.458   7.506   9.319
  198   1HB   LYS  24          1HB       LYS  24  11.265   9.579   9.771
  199   2HB   LYS  24          2HB       LYS  24  10.134   8.282   9.281
  200   1HG   LYS  24          1HG       LYS  24   9.290   8.019  11.530
  201   2HG   LYS  24          2HG       LYS  24  10.644   8.952  12.244
  202   1HD   LYS  24          1HD       LYS  24   8.699  10.328  12.314
  203   2HD   LYS  24          2HD       LYS  24   9.859  11.027  11.135
  204   1HE   LYS  24          1HE       LYS  24   8.471  10.131   9.230
  205   2HE   LYS  24          2HE       LYS  24   7.342   9.358  10.418
  206   1HZ   LYS  24          1HZ       LYS  24   7.911  12.267  10.182
  207   2HZ   LYS  24          2HZ       LYS  24   6.528  11.464   9.613
  208   3HZ   LYS  24          3HZ       LYS  24   6.844  11.539  11.281
  209    H    ARG  25           H        ARG  25  12.733   6.502  12.544
  210    HA   ARG  25           HA       ARG  25  14.263   8.812  13.395
  211   1HB   ARG  25          1HB       ARG  25  14.062   6.024  14.673
  212   2HB   ARG  25          2HB       ARG  25  14.838   7.471  15.392
  213   1HG   ARG  25          1HG       ARG  25  12.130   8.240  14.684
  214   2HG   ARG  25          2HG       ARG  25  12.041   6.610  15.417
  215   1HD   ARG  25          1HD       ARG  25  11.734   8.298  17.161
  216   2HD   ARG  25          2HD       ARG  25  13.339   7.488  17.441
  217    HE   ARG  25           HE       ARG  25  13.913   9.692  15.799
  218   1HH1  ARG  25          1HH1      ARG  25  12.349   9.267  18.996
  219   2HH1  ARG  25          2HH1      ARG  25  12.797  10.826  19.578
  220   1HH2  ARG  25          1HH2      ARG  25  14.526  11.799  16.614
  221   2HH2  ARG  25          2HH2      ARG  25  14.056  12.294  18.197
  222    H    GLU  26           H        GLU  26  14.699   5.551  12.028
  223    HA   GLU  26           HA       GLU  26  17.546   5.569  12.312
  224   1HB   GLU  26          1HB       GLU  26  15.666   3.730  10.712
  225   2HB   GLU  26          2HB       GLU  26  17.421   3.438  11.003
  226   1HG   GLU  26          1HG       GLU  26  16.994   3.288  13.466
  227   2HG   GLU  26          2HG       GLU  26  15.236   3.588  13.196
  228    H    ASN  27           H        ASN  27  15.171   5.722   9.584
  229    HA   ASN  27           HA       ASN  27  17.297   6.229   7.715
  230   1HB   ASN  27          1HB       ASN  27  14.249   5.950   7.367
  231   2HB   ASN  27          2HB       ASN  27  15.376   6.297   6.008
  232   2HD2  ASN  27          2HD2      ASN  27  14.410   3.824   8.437
  233   1HD2  ASN  27          1HD2      ASN  27  15.201   2.487   7.667
  234    HA   PRO  28           HA       PRO  28  16.966  10.442   8.447
  235   1HB   PRO  28          1HB       PRO  28  18.219  11.609   6.271
  236   2HB   PRO  28          2HB       PRO  28  19.051  10.467   7.388
  237   1HG   PRO  28          1HG       PRO  28  17.739   9.784   4.699
  238   2HG   PRO  28          2HG       PRO  28  19.419   9.388   5.255
  239   1HD   PRO  28          1HD       PRO  28  17.334   7.582   5.506
  240   2HD   PRO  28          2HD       PRO  28  18.606   7.741   6.807
  241    H    GLY  29           H        GLY  29  14.551  10.670   8.462
  242   1HA   GLY  29          1HA       GLY  29  13.854  12.900   6.913
  243   2HA   GLY  29          2HA       GLY  29  12.809  11.940   8.034
  244    H    ILE  30           H        ILE  30  12.588   9.526   6.961
  245    HA   ILE  30           HA       ILE  30  12.373   9.614   4.117
  246    HB   ILE  30           HB       ILE  30  13.453   7.797   5.339
  247   1HG1  ILE  30          1HG1      ILE  30  10.994   6.802   3.794
  248   2HG1  ILE  30          2HG1      ILE  30  12.479   7.489   3.047
  249   1HG2  ILE  30          1HG2      ILE  30  11.991   7.799   7.353
  250   2HG2  ILE  30          2HG2      ILE  30  10.626   7.131   6.398
  251   3HG2  ILE  30          3HG2      ILE  30  12.117   6.158   6.645
  252   1HD1  ILE  30          1HD1      ILE  30  13.851   5.663   4.136
  253   2HD1  ILE  30          2HD1      ILE  30  12.332   4.931   4.780
  254   3HD1  ILE  30          3HD1      ILE  30  12.604   5.029   3.005
  255    H    LYS  31           H        LYS  31  10.492   9.358   2.868
  256    HA   LYS  31           HA       LYS  31   8.048  10.285   4.156
  257   1HB   LYS  31          1HB       LYS  31   8.934   9.949   1.236
  258   2HB   LYS  31          2HB       LYS  31   7.295  10.530   1.702
  259   1HG   LYS  31          1HG       LYS  31   8.085  12.596   2.504
  260   2HG   LYS  31          2HG       LYS  31   9.740  11.980   2.815
  261   1HD   LYS  31          1HD       LYS  31   9.727  13.552   0.938
  262   2HD   LYS  31          2HD       LYS  31  10.291  11.912   0.460
  263   1HE   LYS  31          1HE       LYS  31   8.059  11.439  -0.615
  264   2HE   LYS  31          2HE       LYS  31   7.476  13.075  -0.109
  265   1HZ   LYS  31          1HZ       LYS  31   9.233  14.045  -1.424
  266   2HZ   LYS  31          2HZ       LYS  31   9.776  12.505  -1.897
  267   3HZ   LYS  31          3HZ       LYS  31   8.235  13.046  -2.367
  268    H    VAL  32           H        VAL  32   5.953   9.183   3.385
  269    HA   VAL  32           HA       VAL  32   6.193   6.586   4.290
  270    HB   VAL  32           HB       VAL  32   3.780   6.385   4.063
  271   1HG1  VAL  32          1HG1      VAL  32   4.846   7.631   5.977
  272   2HG1  VAL  32          2HG1      VAL  32   4.668   9.178   5.062
  273   3HG1  VAL  32          3HG1      VAL  32   3.208   8.259   5.560
  274   1HG2  VAL  32          1HG2      VAL  32   3.985   9.045   2.488
  275   2HG2  VAL  32          2HG2      VAL  32   3.420   7.460   1.842
  276   3HG2  VAL  32          3HG2      VAL  32   2.463   8.308   3.098
  277    H    THR  33           H        THR  33   6.258   7.761   1.007
  278    HA   THR  33           HA       THR  33   5.341   5.396  -0.256
  279    HB   THR  33           HB       THR  33   6.391   6.494  -2.307
  280    HG1  THR  33           HG1      THR  33   7.974   7.714  -1.393
  281   1HG2  THR  33          1HG2      THR  33   4.000   6.848  -1.610
  282   2HG2  THR  33          2HG2      THR  33   4.495   8.224  -0.555
  283   3HG2  THR  33          3HG2      THR  33   4.707   8.334  -2.339
  284    H    GLU  34           H        GLU  34   8.387   6.567   1.042
  285    HA   GLU  34           HA       GLU  34   9.982   4.552  -0.305
  286   1HB   GLU  34          1HB       GLU  34  10.618   6.873   1.586
  287   2HB   GLU  34          2HB       GLU  34  11.870   5.808   0.844
  288   1HG   GLU  34          1HG       GLU  34  11.336   6.631  -1.402
  289   2HG   GLU  34          2HG       GLU  34   9.876   7.503  -0.807
  290    H    VAL  35           H        VAL  35   8.269   5.118   2.696
  291    HA   VAL  35           HA       VAL  35   9.762   3.293   4.306
  292    HB   VAL  35           HB       VAL  35   6.987   4.538   4.564
  293   1HG1  VAL  35          1HG1      VAL  35   8.435   2.651   6.539
  294   2HG1  VAL  35          2HG1      VAL  35   7.014   3.680   6.952
  295   3HG1  VAL  35          3HG1      VAL  35   6.839   2.363   5.747
  296   1HG2  VAL  35          1HG2      VAL  35   9.052   6.024   4.876
  297   2HG2  VAL  35          2HG2      VAL  35   8.091   5.838   6.381
  298   3HG2  VAL  35          3HG2      VAL  35   9.617   4.909   6.157
  299    H    ALA  36           H        ALA  36   7.283   3.072   1.794
  300    HA   ALA  36           HA       ALA  36   6.339   0.506   2.460
  301   1HB   ALA  36          1HB       ALA  36   5.460   0.433   0.132
  302   2HB   ALA  36          2HB       ALA  36   6.456   1.873  -0.294
  303   3HB   ALA  36          3HB       ALA  36   5.111   2.026   0.893
  304    H    LYS  37           H        LYS  37   9.232   1.673   0.754
  305    HA   LYS  37           HA       LYS  37   9.846  -0.778  -0.525
  306   1HB   LYS  37          1HB       LYS  37  10.658   1.386  -1.352
  307   2HB   LYS  37          2HB       LYS  37  11.587   1.674   0.149
  308   1HG   LYS  37          1HG       LYS  37  12.161  -0.807  -1.558
  309   2HG   LYS  37          2HG       LYS  37  12.721   0.812  -2.096
  310   1HD   LYS  37          1HD       LYS  37  13.942   1.167   0.032
  311   2HD   LYS  37          2HD       LYS  37  13.502  -0.479   0.592
  312   1HE   LYS  37          1HE       LYS  37  15.155   0.143  -1.952
  313   2HE   LYS  37          2HE       LYS  37  15.833  -0.360  -0.352
  314   1HZ   LYS  37          1HZ       LYS  37  13.946  -1.949  -2.010
  315   2HZ   LYS  37          2HZ       LYS  37  15.622  -2.191  -1.878
  316   3HZ   LYS  37          3HZ       LYS  37  14.622  -2.416  -0.523
  317    H    ARG  38           H        ARG  38  11.062   0.883   2.449
  318    HA   ARG  38           HA       ARG  38  12.874  -1.204   3.044
  319   1HB   ARG  38          1HB       ARG  38  13.232   1.212   3.632
  320   2HB   ARG  38          2HB       ARG  38  11.841   1.143   4.757
  321   1HG   ARG  38          1HG       ARG  38  14.000   1.074   5.928
  322   2HG   ARG  38          2HG       ARG  38  13.067  -0.432   6.229
  323   1HD   ARG  38          1HD       ARG  38  14.493  -1.720   4.692
  324   2HD   ARG  38          2HD       ARG  38  15.340  -0.234   4.119
  325    HE   ARG  38           HE       ARG  38  15.629  -1.621   6.764
  326   1HH1  ARG  38          1HH1      ARG  38  16.578   1.159   4.698
  327   2HH1  ARG  38          2HH1      ARG  38  17.942   1.580   5.657
  328   1HH2  ARG  38          1HH2      ARG  38  17.486  -1.024   8.050
  329   2HH2  ARG  38          2HH2      ARG  38  18.478   0.306   7.586
  330    H    GLY  39           H        GLY  39   9.591  -0.308   4.119
  331   1HA   GLY  39          1HA       GLY  39   8.256  -1.102   5.656
  332   2HA   GLY  39          2HA       GLY  39   9.575  -2.148   6.300
  333    H    GLY  40           H        GLY  40   9.187  -2.535   2.913
  334   1HA   GLY  40          1HA       GLY  40   8.270  -4.099   1.657
  335   2HA   GLY  40          2HA       GLY  40   7.146  -4.540   3.003
  336    H    GLU  41           H        GLU  41  10.633  -4.327   3.399
  337    HA   GLU  41           HA       GLU  41  11.178  -7.101   3.030
  338   1HB   GLU  41          1HB       GLU  41  12.838  -4.845   4.307
  339   2HB   GLU  41          2HB       GLU  41  13.465  -6.461   3.823
  340   1HG   GLU  41          1HG       GLU  41  12.956  -5.971   1.431
  341   2HG   GLU  41          2HG       GLU  41  12.239  -4.380   1.874
  342    H    LEU  42           H        LEU  42  10.540  -4.834   5.708
  343    HA   LEU  42           HA       LEU  42  11.181  -6.661   7.787
  344   1HB   LEU  42          1HB       LEU  42   9.583  -4.044   7.748
  345   2HB   LEU  42          2HB       LEU  42  10.031  -4.911   9.257
  346    HG   LEU  42           HG       LEU  42  12.057  -3.805   7.221
  347   1HD1  LEU  42          1HD1      LEU  42  10.759  -1.942   8.221
  348   2HD1  LEU  42          2HD1      LEU  42  11.102  -2.564   9.878
  349   3HD1  LEU  42          3HD1      LEU  42  12.449  -1.956   8.844
  350   1HD2  LEU  42          1HD2      LEU  42  12.431  -4.862  10.100
  351   2HD2  LEU  42          2HD2      LEU  42  12.994  -5.666   8.587
  352   3HD2  LEU  42          3HD2      LEU  42  13.710  -4.094   9.088
  353    H    TRP  43           H        TRP  43   8.250  -5.858   5.943
  354    HA   TRP  43           HA       TRP  43   6.407  -7.084   7.716
  355   1HB   TRP  43          1HB       TRP  43   5.635  -5.381   6.150
  356   2HB   TRP  43          2HB       TRP  43   6.332  -6.271   4.757
  357    HD1  TRP  43           HD1      TRP  43   4.643  -7.782   3.435
  358    HE1  TRP  43           HE1      TRP  43   2.240  -8.593   3.792
  359    HE3  TRP  43           HE3      TRP  43   4.002  -6.132   8.215
  360    HZ2  TRP  43           HZ2      TRP  43   0.266  -8.492   5.863
  361    HZ3  TRP  43           HZ3      TRP  43   1.840  -6.534   9.345
  362    HH2  TRP  43           HH2      TRP  43  -0.004  -7.687   8.189
  363    H    ARG  44           H        ARG  44   8.402  -8.135   4.952
  364    HA   ARG  44           HA       ARG  44   7.018 -10.475   4.389
  365   1HB   ARG  44          1HB       ARG  44   8.616  -9.226   2.882
  366   2HB   ARG  44          2HB       ARG  44   9.985  -9.868   3.843
  367   1HG   ARG  44          1HG       ARG  44   9.369 -12.191   3.155
  368   2HG   ARG  44          2HG       ARG  44   7.868 -11.568   2.376
  369   1HD   ARG  44          1HD       ARG  44   9.266 -10.212   0.770
  370   2HD   ARG  44          2HD       ARG  44  10.769 -10.906   1.484
  371    HE   ARG  44           HE       ARG  44   8.631 -12.345  -0.097
  372   1HH1  ARG  44          1HH1      ARG  44  11.867 -12.483   1.453
  373   2HH1  ARG  44          2HH1      ARG  44  12.355 -13.902   0.603
  374   1HH2  ARG  44          1HH2      ARG  44   9.312 -14.270  -1.212
  375   2HH2  ARG  44          2HH2      ARG  44  10.875 -14.938  -0.930
  376    H    ALA  45           H        ALA  45  10.001  -9.880   6.360
  377    HA   ALA  45           HA       ALA  45   9.551 -12.499   7.651
  378   1HB   ALA  45          1HB       ALA  45  11.938 -12.370   8.390
  379   2HB   ALA  45          2HB       ALA  45  12.144 -10.850   7.433
  380   3HB   ALA  45          3HB       ALA  45  11.803 -12.407   6.596
  381    H    MET  46           H        MET  46   7.834 -11.465   8.887
  382    HA   MET  46           HA       MET  46   8.849  -9.628  10.950
  383   1HB   MET  46          1HB       MET  46   6.974  -8.836   9.329
  384   2HB   MET  46          2HB       MET  46   5.902  -9.991  10.135
  385   1HG   MET  46          1HG       MET  46   7.433  -8.204  12.016
  386   2HG   MET  46          2HG       MET  46   6.536  -7.273  10.790
  387   1HE   MET  46          1HE       MET  46   4.025  -7.218  10.432
  388   2HE   MET  46          2HE       MET  46   3.927  -9.001  10.213
  389   3HE   MET  46          3HE       MET  46   2.803  -8.176  11.335
  390    H    LYS  47           H        LYS  47   6.072 -10.496  12.197
  391    HA   LYS  47           HA       LYS  47   6.858 -13.169  13.139
  392   1HB   LYS  47          1HB       LYS  47   5.274 -10.954  14.591
  393   2HB   LYS  47          2HB       LYS  47   5.505 -12.642  15.199
  394   1HG   LYS  47          1HG       LYS  47   7.956 -12.275  15.304
  395   2HG   LYS  47          2HG       LYS  47   7.743 -10.585  14.721
  396   1HD   LYS  47          1HD       LYS  47   6.324 -10.053  16.695
  397   2HD   LYS  47          2HD       LYS  47   6.499 -11.731  17.305
  398   1HE   LYS  47          1HE       LYS  47   8.824  -9.710  16.924
  399   2HE   LYS  47          2HE       LYS  47   8.016 -10.107  18.494
  400   1HZ   LYS  47          1HZ       LYS  47   8.735 -12.381  18.234
  401   2HZ   LYS  47          2HZ       LYS  47   9.496 -12.015  16.760
  402   3HZ   LYS  47          3HZ       LYS  47  10.053 -11.312  18.201
  403    H    ASP  48           H        ASP  48   3.796 -12.268  14.185
  404    HA   ASP  48           HA       ASP  48   2.559 -13.844  12.094
  405   1HB   ASP  48          1HB       ASP  48   1.435 -12.686  14.720
  406   2HB   ASP  48          2HB       ASP  48   0.518 -13.746  13.582
  407    H    LYS  49           H        LYS  49   0.685 -13.125  10.990
  408    HA   LYS  49           HA       LYS  49   0.510 -10.214  10.612
  409   1HB   LYS  49          1HB       LYS  49  -0.245 -12.628   8.874
  410   2HB   LYS  49          2HB       LYS  49  -0.657 -10.939   8.433
  411   1HG   LYS  49          1HG       LYS  49   1.531 -10.325   7.976
  412   2HG   LYS  49          2HG       LYS  49   2.269 -11.544   9.048
  413   1HD   LYS  49          1HD       LYS  49   0.804 -12.272   6.439
  414   2HD   LYS  49          2HD       LYS  49   2.558 -11.897   6.512
  415   1HE   LYS  49          1HE       LYS  49   1.186 -14.202   8.070
  416   2HE   LYS  49          2HE       LYS  49   2.144 -14.369   6.546
  417   1HZ   LYS  49          1HZ       LYS  49   3.171 -13.322   9.136
  418   2HZ   LYS  49          2HZ       LYS  49   3.433 -14.872   8.500
  419   3HZ   LYS  49          3HZ       LYS  49   4.057 -13.510   7.702
  420    H    SER  50           H        SER  50  -0.804 -12.727  12.323
  421    HA   SER  50           HA       SER  50  -3.484 -12.780  11.730
  422   1HB   SER  50          1HB       SER  50  -2.126 -14.500  13.044
  423   2HB   SER  50          2HB       SER  50  -2.121 -13.369  14.443
  424    HG   SER  50           HG       SER  50  -3.749 -14.931  14.561
  425    H    GLU  51           H        GLU  51  -1.617 -10.628  13.850
  426    HA   GLU  51           HA       GLU  51  -3.655  -9.590  15.411
  427   1HB   GLU  51          1HB       GLU  51  -1.188  -9.342  15.826
  428   2HB   GLU  51          2HB       GLU  51  -1.061  -8.262  14.401
  429   1HG   GLU  51          1HG       GLU  51  -2.579  -6.591  15.548
  430   2HG   GLU  51          2HG       GLU  51  -2.692  -7.694  16.971
  431    H    TRP  52           H        TRP  52  -2.329  -8.566  12.236
  432    HA   TRP  52           HA       TRP  52  -3.848  -6.156  12.214
  433   1HB   TRP  52          1HB       TRP  52  -2.178  -7.452   9.984
  434   2HB   TRP  52          2HB       TRP  52  -2.726  -5.734  10.066
  435    HD1  TRP  52           HD1      TRP  52   0.218  -7.902  11.026
  436    HE1  TRP  52           HE1      TRP  52   1.797  -6.634  12.599
  437    HE3  TRP  52           HE3      TRP  52  -2.826  -3.966  12.135
  438    HZ2  TRP  52           HZ2      TRP  52   1.779  -4.178  14.073
  439    HZ3  TRP  52           HZ3      TRP  52  -1.997  -2.177  13.626
  440    HH2  TRP  52           HH2      TRP  52   0.272  -2.285  14.587
  441    H    GLU  53           H        GLU  53  -4.146  -9.420  10.833
  442    HA   GLU  53           HA       GLU  53  -6.156  -8.725   8.940
  443   1HB   GLU  53          1HB       GLU  53  -5.299 -11.406  10.162
  444   2HB   GLU  53          2HB       GLU  53  -6.534 -11.242   8.859
  445   1HG   GLU  53          1HG       GLU  53  -4.863 -10.254   7.318
  446   2HG   GLU  53          2HG       GLU  53  -3.602 -10.298   8.600
  447    H    ALA  54           H        ALA  54  -6.076  -9.790  12.353
  448    HA   ALA  54           HA       ALA  54  -8.868 -10.267  12.549
  449   1HB   ALA  54          1HB       ALA  54  -6.766  -9.712  14.735
  450   2HB   ALA  54          2HB       ALA  54  -7.244 -11.336  14.125
  451   3HB   ALA  54          3HB       ALA  54  -8.438 -10.333  15.022
  452    H    LYS  55           H        LYS  55  -6.765  -7.437  12.779
  453    HA   LYS  55           HA       LYS  55  -8.620  -5.815  14.189
  454   1HB   LYS  55          1HB       LYS  55  -6.045  -5.514  14.047
  455   2HB   LYS  55          2HB       LYS  55  -6.295  -4.910  12.383
  456   1HG   LYS  55          1HG       LYS  55  -6.047  -3.019  13.848
  457   2HG   LYS  55          2HG       LYS  55  -7.781  -3.060  13.383
  458   1HD   LYS  55          1HD       LYS  55  -8.345  -4.115  15.586
  459   2HD   LYS  55          2HD       LYS  55  -6.593  -4.184  16.002
  460   1HE   LYS  55          1HE       LYS  55  -6.489  -1.660  15.948
  461   2HE   LYS  55          2HE       LYS  55  -8.259  -1.606  15.571
  462   1HZ   LYS  55          1HZ       LYS  55  -8.675  -2.736  17.654
  463   2HZ   LYS  55          2HZ       LYS  55  -7.013  -2.783  18.003
  464   3HZ   LYS  55          3HZ       LYS  55  -7.817  -1.291  17.899
  465    H    ALA  56           H        ALA  56  -7.833  -6.560  10.804
  466    HA   ALA  56           HA       ALA  56  -9.544  -4.545   9.702
  467   1HB   ALA  56          1HB       ALA  56  -7.453  -5.259   8.526
  468   2HB   ALA  56          2HB       ALA  56  -8.110  -6.928   8.384
  469   3HB   ALA  56          3HB       ALA  56  -8.907  -5.561   7.513
  470    H    ALA  57           H        ALA  57 -10.332  -7.325  11.348
  471    HA   ALA  57           HA       ALA  57 -12.294  -8.399   9.560
  472   1HB   ALA  57          1HB       ALA  57 -13.034  -9.745  11.514
  473   2HB   ALA  57          2HB       ALA  57 -11.986  -8.761  12.604
  474   3HB   ALA  57          3HB       ALA  57 -11.243  -9.819  11.349
  475    H    LYS  58           H        LYS  58 -12.067  -5.800  11.925
  476    HA   LYS  58           HA       LYS  58 -14.899  -5.440  12.201
  477   1HB   LYS  58          1HB       LYS  58 -12.391  -4.030  13.142
  478   2HB   LYS  58          2HB       LYS  58 -13.889  -3.046  13.068
  479   1HG   LYS  58          1HG       LYS  58 -13.810  -5.733  14.532
  480   2HG   LYS  58          2HG       LYS  58 -13.370  -4.174  15.313
  481   1HD   LYS  58          1HD       LYS  58 -15.560  -3.201  14.828
  482   2HD   LYS  58          2HD       LYS  58 -16.090  -4.657  13.929
  483   1HE   LYS  58          1HE       LYS  58 -15.352  -4.643  16.939
  484   2HE   LYS  58          2HE       LYS  58 -17.033  -4.502  16.280
  485   1HZ   LYS  58          1HZ       LYS  58 -15.178  -6.782  15.831
  486   2HZ   LYS  58          2HZ       LYS  58 -16.496  -6.742  16.903
  487   3HZ   LYS  58          3HZ       LYS  58 -16.760  -6.631  15.230
  488    H    ALA  59           H        ALA  59 -12.489  -4.624   9.808
  489    HA   ALA  59           HA       ALA  59 -13.928  -2.365   8.769
  490   1HB   ALA  59          1HB       ALA  59 -11.753  -4.097   7.438
  491   2HB   ALA  59          2HB       ALA  59 -12.363  -2.508   6.848
  492   3HB   ALA  59          3HB       ALA  59 -11.458  -2.607   8.397
  493    H    LYS  60           H        LYS  60 -13.952  -5.872   8.465
  494    HA   LYS  60           HA       LYS  60 -15.366  -5.988   6.002
  495   1HB   LYS  60          1HB       LYS  60 -13.804  -7.742   7.161
  496   2HB   LYS  60          2HB       LYS  60 -15.224  -8.199   8.142
  497   1HG   LYS  60          1HG       LYS  60 -15.061  -8.249   5.048
  498   2HG   LYS  60          2HG       LYS  60 -14.686  -9.632   6.130
  499   1HD   LYS  60          1HD       LYS  60 -17.074  -9.555   7.001
  500   2HD   LYS  60          2HD       LYS  60 -17.428  -8.278   5.790
  501   1HE   LYS  60          1HE       LYS  60 -18.201 -10.435   4.915
  502   2HE   LYS  60          2HE       LYS  60 -16.802  -9.857   3.923
  503   1HZ   LYS  60          1HZ       LYS  60 -16.698 -11.873   6.111
  504   2HZ   LYS  60          2HZ       LYS  60 -16.646 -12.183   4.442
  505   3HZ   LYS  60          3HZ       LYS  60 -15.380 -11.332   5.187
  506    H    ASP  61           H        ASP  61 -16.112  -6.060   9.500
  507    HA   ASP  61           HA       ASP  61 -18.848  -6.594   9.315
  508   1HB   ASP  61          1HB       ASP  61 -17.396  -6.868  11.380
  509   2HB   ASP  61          2HB       ASP  61 -17.270  -5.081  11.501
  510    H    ASP  62           H        ASP  62 -16.922  -3.564   9.406
  511    HA   ASP  62           HA       ASP  62 -19.150  -1.850   9.533
  512   1HB   ASP  62          1HB       ASP  62 -16.794  -1.316  10.354
  513   2HB   ASP  62          2HB       ASP  62 -16.274  -1.194   8.637
  514    H    TYR  63           H        TYR  63 -17.519  -3.499   6.876
  515    HA   TYR  63           HA       TYR  63 -17.938  -1.704   4.827
  516   1HB   TYR  63          1HB       TYR  63 -16.461  -3.786   4.714
  517   2HB   TYR  63          2HB       TYR  63 -17.946  -4.788   4.599
  518    HD1  TYR  63           HD1      TYR  63 -15.905  -2.146   2.896
  519    HD2  TYR  63           HD2      TYR  63 -19.108  -4.981   2.500
  520    HE1  TYR  63           HE1      TYR  63 -15.854  -1.852   0.444
  521    HE2  TYR  63           HE2      TYR  63 -19.082  -4.675   0.053
  522    HH   TYR  63           HH       TYR  63 -16.788  -2.445  -1.569
  523    H    ASP  64           H        ASP  64 -20.077  -4.242   6.170
  524    HA   ASP  64           HA       ASP  64 -22.080  -4.225   4.265
  525   1HB   ASP  64          1HB       ASP  64 -21.856  -5.964   6.058
  526   2HB   ASP  64          2HB       ASP  64 -22.210  -4.728   7.310
  527    H    ARG  65           H        ARG  65 -21.653  -2.246   7.243
  528    HA   ARG  65           HA       ARG  65 -24.216  -1.054   6.979
  529   1HB   ARG  65          1HB       ARG  65 -21.925  -0.145   8.804
  530   2HB   ARG  65          2HB       ARG  65 -23.693   0.126   9.005
  531   1HG   ARG  65          1HG       ARG  65 -23.845  -2.527   9.057
  532   2HG   ARG  65          2HG       ARG  65 -22.065  -2.475   9.269
  533   1HD   ARG  65          1HD       ARG  65 -23.017  -2.699  11.461
  534   2HD   ARG  65          2HD       ARG  65 -22.448  -0.981  11.353
  535    HE   ARG  65           HE       ARG  65 -24.892  -0.457  10.645
  536   1HH1  ARG  65          1HH1      ARG  65 -24.125  -3.147  12.897
  537   2HH1  ARG  65          2HH1      ARG  65 -25.704  -3.191  13.587
  538   1HH2  ARG  65          1HH2      ARG  65 -27.016  -0.544  11.596
  539   2HH2  ARG  65          2HH2      ARG  65 -27.371  -1.686  12.837
  540    H    ALA  66           H        ALA  66 -20.907  -0.248   6.043
  541    HA   ALA  66           HA       ALA  66 -21.257   2.515   5.760
  542   1HB   ALA  66          1HB       ALA  66 -19.011   1.479   6.071
  543   2HB   ALA  66          2HB       ALA  66 -19.059   2.439   4.551
  544   3HB   ALA  66          3HB       ALA  66 -19.171   0.636   4.490
  545    H    VAL  67           H        VAL  67 -21.535  -0.248   3.425
  546    HA   VAL  67           HA       VAL  67 -21.637   1.466   1.193
  547    HB   VAL  67           HB       VAL  67 -22.368  -0.475  -0.132
  548   1HG1  VAL  67          1HG1      VAL  67 -19.986   0.094   0.233
  549   2HG1  VAL  67          2HG1      VAL  67 -19.941  -0.897   1.736
  550   3HG1  VAL  67          3HG1      VAL  67 -20.217  -1.690   0.144
  551   1HG2  VAL  67          1HG2      VAL  67 -22.291  -1.968   2.581
  552   2HG2  VAL  67          2HG2      VAL  67 -23.753  -1.669   1.576
  553   3HG2  VAL  67          3HG2      VAL  67 -22.437  -2.725   0.960
  554    H    LYS  68           H        LYS  68 -24.050   0.580   3.533
  555    HA   LYS  68           HA       LYS  68 -26.306   0.877   1.825
  556   1HB   LYS  68          1HB       LYS  68 -25.962   0.914   4.870
  557   2HB   LYS  68          2HB       LYS  68 -27.565   1.019   4.055
  558   1HG   LYS  68          1HG       LYS  68 -27.315  -1.167   3.043
  559   2HG   LYS  68          2HG       LYS  68 -25.592  -1.282   3.527
  560   1HD   LYS  68          1HD       LYS  68 -26.209  -1.373   5.913
  561   2HD   LYS  68          2HD       LYS  68 -27.957  -1.245   5.495
  562   1HE   LYS  68          1HE       LYS  68 -27.886  -3.409   4.287
  563   2HE   LYS  68          2HE       LYS  68 -26.091  -3.513   4.489
  564   1HZ   LYS  68          1HZ       LYS  68 -27.985  -3.441   6.777
  565   2HZ   LYS  68          2HZ       LYS  68 -27.421  -4.862   6.032
  566   3HZ   LYS  68          3HZ       LYS  68 -26.320  -3.822   6.773
  567    H    GLU  69           H        GLU  69 -24.327   3.038   3.871
  568    HA   GLU  69           HA       GLU  69 -26.117   5.266   3.548
  569   1HB   GLU  69          1HB       GLU  69 -23.232   5.109   4.601
  570   2HB   GLU  69          2HB       GLU  69 -24.310   6.551   4.695
  571   1HG   GLU  69          1HG       GLU  69 -25.927   5.239   6.113
  572   2HG   GLU  69          2HG       GLU  69 -24.810   3.823   6.076
  573    H    PHE  70           H        PHE  70 -23.234   3.905   2.010
  574    HA   PHE  70           HA       PHE  70 -22.366   6.201   0.668
  575   1HB   PHE  70          1HB       PHE  70 -20.938   4.174   1.189
  576   2HB   PHE  70          2HB       PHE  70 -21.912   3.212   0.027
  577    HD1  PHE  70           HD1      PHE  70 -19.448   6.015   0.353
  578    HD2  PHE  70           HD2      PHE  70 -21.536   3.376  -2.323
  579    HE1  PHE  70           HE1      PHE  70 -17.918   6.660  -1.484
  580    HE2  PHE  70           HE2      PHE  70 -20.033   4.038  -4.154
  581    HZ   PHE  70           HZ       PHE  70 -18.204   5.672  -3.745
  582    H    GLU  71           H        GLU  71 -24.277   3.315  -0.428
  583    HA   GLU  71           HA       GLU  71 -24.561   4.319  -3.061
  584   1HB   GLU  71          1HB       GLU  71 -26.031   2.068  -1.587
  585   2HB   GLU  71          2HB       GLU  71 -26.159   2.367  -3.353
  586   1HG   GLU  71          1HG       GLU  71 -23.484   1.698  -1.943
  587   2HG   GLU  71          2HG       GLU  71 -24.618   0.465  -2.589
  588    H    ALA  72           H        ALA  72 -26.356   4.767  -0.065
  589    HA   ALA  72           HA       ALA  72 -28.712   5.755  -1.456
  590   1HB   ALA  72          1HB       ALA  72 -29.581   6.252   0.836
  591   2HB   ALA  72          2HB       ALA  72 -29.072   4.532   0.685
  592   3HB   ALA  72          3HB       ALA  72 -28.009   5.703   1.540
  593    H    ASN  73           H        ASN  73 -27.297   7.333  -2.675
  594    HA   ASN  73           HA       ASN  73 -27.368   9.846  -1.351
  595   1HB   ASN  73          1HB       ASN  73 -24.983   8.763  -0.836
  596   2HB   ASN  73          2HB       ASN  73 -24.661   8.966  -2.586
  597   2HD2  ASN  73          2HD2      ASN  73 -25.932  10.838   0.290
  598   1HD2  ASN  73          1HD2      ASN  73 -25.113  12.321  -0.079
  599    H    GLY  74           H        GLY  74 -26.298  11.410  -3.409
  600   1HA   GLY  74          1HA       GLY  74 -28.170  11.087  -5.399
  601   2HA   GLY  74          2HA       GLY  74 -26.578  10.400  -5.945

  No H/Q in entry =         601
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1 -22.102  10.259 -11.376
    2    H2   MET   1           H2       MET   1 -23.568   9.948 -10.567
    3    H3   MET   1           H3       MET   1 -22.681  11.359 -10.225
    4    HA   MET   1           HA       MET   1 -22.373   9.804  -8.488
    5   1HB   MET   1          1HB       MET   1 -22.830   7.736  -9.871
    6   2HB   MET   1          2HB       MET   1 -21.251   7.960 -10.700
    7   1HG   MET   1          1HG       MET   1 -20.072   7.615  -8.520
    8   2HG   MET   1          2HG       MET   1 -21.647   7.431  -7.688
    9   1HE   MET   1          1HE       MET   1 -19.068   5.542  -7.656
   10   2HE   MET   1          2HE       MET   1 -20.540   5.286  -6.656
   11   3HE   MET   1          3HE       MET   1 -19.853   3.925  -7.608
   12    H    SER   2           H        SER   2 -20.498  10.226  -7.296
   13    HA   SER   2           HA       SER   2 -18.194  11.277  -8.797
   14   1HB   SER   2          1HB       SER   2 -19.135  11.914  -5.927
   15   2HB   SER   2          2HB       SER   2 -17.694  12.631  -6.759
   16    HG   SER   2           HG       SER   2 -19.016  13.669  -8.127
   17    H    ASP   3           H        ASP   3 -17.126  11.020  -5.742
   18    HA   ASP   3           HA       ASP   3 -16.071   8.348  -6.108
   19   1HB   ASP   3          1HB       ASP   3 -15.661  10.411  -3.846
   20   2HB   ASP   3          2HB       ASP   3 -14.776   8.846  -4.002
   21    H    LYS   4           H        LYS   4 -16.416   6.665  -4.477
   22    HA   LYS   4           HA       LYS   4 -18.394   7.216  -2.458
   23   1HB   LYS   4          1HB       LYS   4 -19.625   6.325  -4.568
   24   2HB   LYS   4          2HB       LYS   4 -18.752   4.781  -4.323
   25   1HG   LYS   4          1HG       LYS   4 -19.839   4.586  -2.035
   26   2HG   LYS   4          2HG       LYS   4 -20.585   6.202  -2.296
   27   1HD   LYS   4          1HD       LYS   4 -21.590   5.073  -4.494
   28   2HD   LYS   4          2HD       LYS   4 -21.294   3.540  -3.611
   29   1HE   LYS   4          1HE       LYS   4 -23.010   5.962  -2.692
   30   2HE   LYS   4          2HE       LYS   4 -23.633   4.358  -3.245
   31   1HZ   LYS   4          1HZ       LYS   4 -21.935   4.795  -0.841
   32   2HZ   LYS   4          2HZ       LYS   4 -23.631   4.684  -0.851
   33   3HZ   LYS   4          3HZ       LYS   4 -22.685   3.346  -1.320
   34    HA   PRO   5           HA       PRO   5 -14.902   4.855  -1.014
   35   1HB   PRO   5          1HB       PRO   5 -15.572   4.379   1.658
   36   2HB   PRO   5          2HB       PRO   5 -15.184   6.031   1.042
   37   1HG   PRO   5          1HG       PRO   5 -17.970   4.785   1.375
   38   2HG   PRO   5          2HG       PRO   5 -17.386   6.389   1.988
   39   1HD   PRO   5          1HD       PRO   5 -18.763   6.149  -0.399
   40   2HD   PRO   5          2HD       PRO   5 -17.371   7.319  -0.250
   41    H    LYS   6           H        LYS   6 -14.274   2.620  -0.399
   42    HA   LYS   6           HA       LYS   6 -16.469   0.706  -0.827
   43   1HB   LYS   6          1HB       LYS   6 -13.565   0.412  -1.778
   44   2HB   LYS   6          2HB       LYS   6 -14.947  -0.701  -2.106
   45   1HG   LYS   6          1HG       LYS   6 -16.113   1.228  -3.298
   46   2HG   LYS   6          2HG       LYS   6 -14.612   2.200  -3.090
   47   1HD   LYS   6          1HD       LYS   6 -13.346   0.368  -4.348
   48   2HD   LYS   6          2HD       LYS   6 -14.937  -0.370  -4.743
   49   1HE   LYS   6          1HE       LYS   6 -13.921   2.457  -5.520
   50   2HE   LYS   6          2HE       LYS   6 -14.210   1.059  -6.633
   51   1HZ   LYS   6          1HZ       LYS   6 -16.555   1.188  -6.065
   52   2HZ   LYS   6          2HZ       LYS   6 -16.259   2.525  -5.056
   53   3HZ   LYS   6          3HZ       LYS   6 -15.978   2.643  -6.726
   54    H    ARG   7           H        ARG   7 -14.563  -1.516  -0.333
   55    HA   ARG   7           HA       ARG   7 -15.189  -1.613   2.391
   56   1HB   ARG   7          1HB       ARG   7 -13.575  -3.582   0.703
   57   2HB   ARG   7          2HB       ARG   7 -14.227  -3.887   2.354
   58   1HG   ARG   7          1HG       ARG   7 -16.552  -3.613   1.515
   59   2HG   ARG   7          2HG       ARG   7 -15.938  -3.217  -0.124
   60   1HD   ARG   7          1HD       ARG   7 -16.719  -5.578  -0.019
   61   2HD   ARG   7          2HD       ARG   7 -14.948  -5.471  -0.375
   62    HE   ARG   7           HE       ARG   7 -16.052  -5.959   2.418
   63   1HH1  ARG   7          1HH1      ARG   7 -13.814  -6.918  -0.220
   64   2HH1  ARG   7          2HH1      ARG   7 -13.073  -8.179   0.691
   65   1HH2  ARG   7          1HH2      ARG   7 -15.025  -7.668   3.625
   66   2HH2  ARG   7          2HH2      ARG   7 -13.775  -8.612   2.909
   67    HA   PRO   8           HA       PRO   8 -11.024  -0.091   3.396
   68   1HB   PRO   8          1HB       PRO   8 -11.359   0.530   6.047
   69   2HB   PRO   8          2HB       PRO   8 -12.178   1.452   4.734
   70   1HG   PRO   8          1HG       PRO   8 -13.367  -0.787   6.453
   71   2HG   PRO   8          2HG       PRO   8 -14.084   0.829   6.056
   72   1HD   PRO   8          1HD       PRO   8 -14.641  -1.560   4.661
   73   2HD   PRO   8          2HD       PRO   8 -14.713   0.091   3.892
   74    H    LEU   9           H        LEU   9  -9.812  -2.157   3.057
   75    HA   LEU   9           HA       LEU   9  -8.870  -3.017   5.593
   76   1HB   LEU   9          1HB       LEU   9  -8.941  -5.456   5.197
   77   2HB   LEU   9          2HB       LEU   9 -10.553  -4.771   5.532
   78    HG   LEU   9           HG       LEU   9  -9.692  -5.169   2.627
   79   1HD1  LEU   9          1HD1      LEU   9  -9.079  -7.300   3.729
   80   2HD1  LEU   9          2HD1      LEU   9 -10.730  -7.425   4.448
   81   3HD1  LEU   9          3HD1      LEU   9 -10.513  -7.506   2.658
   82   1HD2  LEU   9          1HD2      LEU   9 -11.877  -4.025   3.101
   83   2HD2  LEU   9          2HD2      LEU   9 -12.113  -5.608   2.284
   84   3HD2  LEU   9          3HD2      LEU   9 -12.417  -5.454   4.056
   85    H    SER  10           H        SER  10  -6.765  -3.552   5.507
   86    HA   SER  10           HA       SER  10  -5.510  -4.718   3.354
   87   1HB   SER  10          1HB       SER  10  -3.796  -2.787   2.918
   88   2HB   SER  10          2HB       SER  10  -5.390  -2.657   2.097
   89    HG   SER  10           HG       SER  10  -4.876  -0.726   3.013
   90    H    ALA  11           H        ALA  11  -3.867  -5.831   4.393
   91    HA   ALA  11           HA       ALA  11  -3.758  -5.467   7.227
   92   1HB   ALA  11          1HB       ALA  11  -3.851  -7.755   6.242
   93   2HB   ALA  11          2HB       ALA  11  -2.338  -7.537   7.187
   94   3HB   ALA  11          3HB       ALA  11  -2.296  -7.460   5.385
   95    H    TYR  12           H        TYR  12  -1.605  -5.016   4.438
   96    HA   TYR  12           HA       TYR  12   0.775  -4.660   5.851
   97   1HB   TYR  12          1HB       TYR  12   0.708  -5.328   3.448
   98   2HB   TYR  12          2HB       TYR  12  -0.130  -3.790   3.030
   99    HD1  TYR  12           HD1      TYR  12   2.906  -4.256   5.289
  100    HD2  TYR  12           HD2      TYR  12   1.361  -2.804   1.543
  101    HE1  TYR  12           HE1      TYR  12   5.049  -3.153   4.834
  102    HE2  TYR  12           HE2      TYR  12   3.511  -1.695   1.088
  103    HH   TYR  12           HH       TYR  12   5.650  -1.335   1.811
  104    H    MET  13           H        MET  13  -1.795  -2.403   4.759
  105    HA   MET  13           HA       MET  13  -0.174  -0.135   5.015
  106   1HB   MET  13          1HB       MET  13  -2.494  -0.690   3.698
  107   2HB   MET  13          2HB       MET  13  -3.181   0.180   5.095
  108   1HG   MET  13          1HG       MET  13  -2.805   1.792   3.351
  109   2HG   MET  13          2HG       MET  13  -1.543   2.088   4.583
  110   1HE   MET  13          1HE       MET  13  -2.514   1.207   0.969
  111   2HE   MET  13          2HE       MET  13  -1.088   0.385   0.253
  112   3HE   MET  13          3HE       MET  13  -2.089  -0.466   1.478
  113    H    LEU  14           H        LEU  14  -2.277  -1.857   7.275
  114    HA   LEU  14           HA       LEU  14  -2.497   0.236   9.181
  115   1HB   LEU  14          1HB       LEU  14  -2.780  -2.814   9.449
  116   2HB   LEU  14          2HB       LEU  14  -3.202  -1.643  10.747
  117    HG   LEU  14           HG       LEU  14  -4.529  -1.710   7.978
  118   1HD1  LEU  14          1HD1      LEU  14  -4.971  -3.823   9.207
  119   2HD1  LEU  14          2HD1      LEU  14  -5.535  -2.894  10.646
  120   3HD1  LEU  14          3HD1      LEU  14  -6.459  -2.814   9.098
  121   1HD2  LEU  14          1HD2      LEU  14  -5.331  -0.228  10.562
  122   2HD2  LEU  14          2HD2      LEU  14  -4.710   0.523   9.042
  123   3HD2  LEU  14          3HD2      LEU  14  -6.302  -0.311   9.045
  124    H    TRP  15           H        TRP  15  -0.164  -2.359   8.503
  125    HA   TRP  15           HA       TRP  15   1.165  -2.231  10.995
  126   1HB   TRP  15          1HB       TRP  15   1.207  -4.252   9.573
  127   2HB   TRP  15          2HB       TRP  15   2.034  -3.344   8.267
  128    HD1  TRP  15           HD1      TRP  15   2.837  -5.006  11.730
  129    HE1  TRP  15           HE1      TRP  15   5.377  -5.067  12.013
  130    HE3  TRP  15           HE3      TRP  15   4.109  -2.302   7.595
  131    HZ2  TRP  15           HZ2      TRP  15   7.672  -3.990  10.676
  132    HZ3  TRP  15           HZ3      TRP  15   6.484  -1.772   7.197
  133    HH2  TRP  15           HH2      TRP  15   8.235  -2.569   8.729
  134    H    LEU  16           H        LEU  16   1.436  -0.463   7.899
  135    HA   LEU  16           HA       LEU  16   4.007   0.595   8.389
  136   1HB   LEU  16          1HB       LEU  16   1.703   1.553   6.604
  137   2HB   LEU  16          2HB       LEU  16   3.303   2.366   6.641
  138    HG   LEU  16           HG       LEU  16   2.927  -0.590   5.912
  139   1HD1  LEU  16          1HD1      LEU  16   1.725   0.873   4.288
  140   2HD1  LEU  16          2HD1      LEU  16   3.223   1.846   4.038
  141   3HD1  LEU  16          3HD1      LEU  16   3.178   0.115   3.538
  142   1HD2  LEU  16          1HD2      LEU  16   5.242   0.043   6.723
  143   2HD2  LEU  16          2HD2      LEU  16   5.219  -0.430   4.990
  144   3HD2  LEU  16          3HD2      LEU  16   5.317   1.308   5.442
  145    H    ASN  17           H        ASN  17   0.772   1.508   9.491
  146    HA   ASN  17           HA       ASN  17   1.526   4.167  10.240
  147   1HB   ASN  17          1HB       ASN  17  -0.873   2.433  11.096
  148   2HB   ASN  17          2HB       ASN  17  -0.660   4.174  11.515
  149   2HD2  ASN  17          2HD2      ASN  17  -2.561   2.448   9.604
  150   1HD2  ASN  17          1HD2      ASN  17  -2.624   3.422   8.171
  151    H    SER  18           H        SER  18   1.602   0.942  11.694
  152    HA   SER  18           HA       SER  18   1.876   1.842  14.373
  153   1HB   SER  18          1HB       SER  18   0.951  -0.432  13.667
  154   2HB   SER  18          2HB       SER  18   2.608  -0.896  13.146
  155    HG   SER  18           HG       SER  18   1.640  -0.280  15.737
  156    H    ALA  19           H        ALA  19   4.099   0.696  11.775
  157    HA   ALA  19           HA       ALA  19   6.415   0.979  13.456
  158   1HB   ALA  19          1HB       ALA  19   6.210  -0.898  11.799
  159   2HB   ALA  19          2HB       ALA  19   6.146   0.303  10.461
  160   3HB   ALA  19          3HB       ALA  19   7.645   0.130  11.455
  161    H    ARG  20           H        ARG  20   4.589   3.340  12.174
  162    HA   ARG  20           HA       ARG  20   6.194   4.629  10.324
  163   1HB   ARG  20          1HB       ARG  20   3.691   4.915  10.742
  164   2HB   ARG  20          2HB       ARG  20   4.088   5.949  12.141
  165   1HG   ARG  20          1HG       ARG  20   5.161   7.602  10.631
  166   2HG   ARG  20          2HG       ARG  20   5.036   6.458   9.245
  167   1HD   ARG  20          1HD       ARG  20   2.543   6.545   9.337
  168   2HD   ARG  20          2HD       ARG  20   2.602   7.684  10.732
  169    HE   ARG  20           HE       ARG  20   3.218   8.250   7.865
  170   1HH1  ARG  20          1HH1      ARG  20   3.391   9.462  11.232
  171   2HH1  ARG  20          2HH1      ARG  20   3.396  11.127  10.778
  172   1HH2  ARG  20          1HH2      ARG  20   3.178  10.536   7.269
  173   2HH2  ARG  20          2HH2      ARG  20   3.311  11.734   8.491
  174    H    GLU  21           H        GLU  21   5.948   4.968  13.876
  175    HA   GLU  21           HA       GLU  21   7.403   7.337  14.121
  176   1HB   GLU  21          1HB       GLU  21   5.829   6.344  15.805
  177   2HB   GLU  21          2HB       GLU  21   7.007   5.048  16.154
  178   1HG   GLU  21          1HG       GLU  21   7.559   8.076  16.555
  179   2HG   GLU  21          2HG       GLU  21   6.844   7.009  17.815
  180    H    SER  22           H        SER  22   8.340   3.870  14.370
  181    HA   SER  22           HA       SER  22  10.914   4.320  15.264
  182   1HB   SER  22          1HB       SER  22   9.840   1.879  13.719
  183   2HB   SER  22          2HB       SER  22  11.288   1.909  14.801
  184    HG   SER  22           HG       SER  22   9.912   2.371  16.508
  185    H    ILE  23           H        ILE  23   9.647   3.795  11.938
  186    HA   ILE  23           HA       ILE  23  12.133   3.418  10.732
  187    HB   ILE  23           HB       ILE  23   9.363   4.095   9.697
  188   1HG1  ILE  23          1HG1      ILE  23  11.130   1.562   9.547
  189   2HG1  ILE  23          2HG1      ILE  23   9.853   1.836  10.772
  190   1HG2  ILE  23          1HG2      ILE  23  11.887   3.512   8.004
  191   2HG2  ILE  23          2HG2      ILE  23  10.207   3.570   7.379
  192   3HG2  ILE  23          3HG2      ILE  23  10.950   5.056   8.027
  193   1HD1  ILE  23          1HD1      ILE  23   8.123   1.963   8.935
  194   2HD1  ILE  23          2HD1      ILE  23   9.407   1.560   7.730
  195   3HD1  ILE  23          3HD1      ILE  23   8.975   0.377   9.013
  196    H    LYS  24           H        LYS  24  10.300   6.384  11.480
  197    HA   LYS  24           HA       LYS  24  11.668   8.114   9.766
  198   1HB   LYS  24          1HB       LYS  24  10.279   8.552  12.463
  199   2HB   LYS  24          2HB       LYS  24  10.956   9.914  11.518
  200   1HG   LYS  24          1HG       LYS  24   8.866   7.969  10.384
  201   2HG   LYS  24          2HG       LYS  24   8.426   9.441  11.301
  202   1HD   LYS  24          1HD       LYS  24  10.024   9.343   8.656
  203   2HD   LYS  24          2HD       LYS  24   8.281   9.722   8.826
  204   1HE   LYS  24          1HE       LYS  24  10.637  11.430   9.890
  205   2HE   LYS  24          2HE       LYS  24   9.533  11.813   8.513
  206   1HZ   LYS  24          1HZ       LYS  24   7.700  11.864  10.090
  207   2HZ   LYS  24          2HZ       LYS  24   8.767  11.544  11.372
  208   3HZ   LYS  24          3HZ       LYS  24   8.913  12.985  10.487
  209    H    ARG  25           H        ARG  25  12.393   7.056  13.150
  210    HA   ARG  25           HA       ARG  25  14.487   9.011  13.337
  211   1HB   ARG  25          1HB       ARG  25  13.810   6.778  15.322
  212   2HB   ARG  25          2HB       ARG  25  14.857   8.216  15.587
  213   1HG   ARG  25          1HG       ARG  25  12.687   9.605  14.923
  214   2HG   ARG  25          2HG       ARG  25  11.816   8.068  15.230
  215   1HD   ARG  25          1HD       ARG  25  11.707   9.411  17.262
  216   2HD   ARG  25          2HD       ARG  25  12.837   8.039  17.594
  217    HE   ARG  25           HE       ARG  25  13.677  10.868  16.814
  218   1HH1  ARG  25          1HH1      ARG  25  14.264   7.923  18.775
  219   2HH1  ARG  25          2HH1      ARG  25  15.674   8.558  19.540
  220   1HH2  ARG  25          1HH2      ARG  25  15.581  11.695  17.854
  221   2HH2  ARG  25          2HH2      ARG  25  16.434  10.741  19.007
  222    H    GLU  26           H        GLU  26  14.214   5.519  12.662
  223    HA   GLU  26           HA       GLU  26  16.958   4.942  13.050
  224   1HB   GLU  26          1HB       GLU  26  14.717   3.531  11.498
  225   2HB   GLU  26          2HB       GLU  26  16.385   2.871  11.576
  226   1HG   GLU  26          1HG       GLU  26  14.613   3.400  14.050
  227   2HG   GLU  26          2HG       GLU  26  14.798   1.812  13.219
  228    H    ASN  27           H        ASN  27  14.956   5.510  10.059
  229    HA   ASN  27           HA       ASN  27  17.340   5.246   8.482
  230   1HB   ASN  27          1HB       ASN  27  14.426   5.782   7.677
  231   2HB   ASN  27          2HB       ASN  27  15.787   5.674   6.504
  232   2HD2  ASN  27          2HD2      ASN  27  13.957   3.802   9.002
  233   1HD2  ASN  27          1HD2      ASN  27  14.388   2.232   8.406
  234    HA   PRO  28           HA       PRO  28  18.108   9.473   8.972
  235   1HB   PRO  28          1HB       PRO  28  20.058   9.992   7.078
  236   2HB   PRO  28          2HB       PRO  28  20.288   8.826   8.433
  237   1HG   PRO  28          1HG       PRO  28  19.435   8.172   5.560
  238   2HG   PRO  28          2HG       PRO  28  20.772   7.420   6.528
  239   1HD   PRO  28          1HD       PRO  28  18.245   6.283   6.378
  240   2HD   PRO  28          2HD       PRO  28  19.210   6.249   7.928
  241    H    GLY  29           H        GLY  29  15.991  10.448   8.467
  242   1HA   GLY  29          1HA       GLY  29  16.299  12.414   6.452
  243   2HA   GLY  29          2HA       GLY  29  14.897  12.133   7.557
  244    H    ILE  30           H        ILE  30  13.976   9.697   6.958
  245    HA   ILE  30           HA       ILE  30  13.913   9.282   4.125
  246    HB   ILE  30           HB       ILE  30  14.205   7.457   5.741
  247   1HG1  ILE  30          1HG1      ILE  30  11.658   7.165   4.050
  248   2HG1  ILE  30          2HG1      ILE  30  13.336   7.122   3.412
  249   1HG2  ILE  30          1HG2      ILE  30  12.690   8.339   7.551
  250   2HG2  ILE  30          2HG2      ILE  30  11.255   7.961   6.523
  251   3HG2  ILE  30          3HG2      ILE  30  12.321   6.641   7.114
  252   1HD1  ILE  30          1HD1      ILE  30  13.818   5.121   4.870
  253   2HD1  ILE  30          2HD1      ILE  30  12.104   5.137   5.438
  254   3HD1  ILE  30          3HD1      ILE  30  12.474   4.834   3.703
  255    H    LYS  31           H        LYS  31  12.042   9.421   2.779
  256    HA   LYS  31           HA       LYS  31  10.050  11.315   3.729
  257   1HB   LYS  31          1HB       LYS  31  10.474  10.101   0.931
  258   2HB   LYS  31          2HB       LYS  31   9.165  11.235   1.385
  259   1HG   LYS  31          1HG       LYS  31  10.672  12.647   0.358
  260   2HG   LYS  31          2HG       LYS  31  10.964  12.913   2.107
  261   1HD   LYS  31          1HD       LYS  31  13.078  12.922   0.959
  262   2HD   LYS  31          2HD       LYS  31  13.022  11.410   1.919
  263   1HE   LYS  31          1HE       LYS  31  12.419  10.125  -0.194
  264   2HE   LYS  31          2HE       LYS  31  12.473  11.671  -1.128
  265   1HZ   LYS  31          1HZ       LYS  31  14.739  10.447   0.361
  266   2HZ   LYS  31          2HZ       LYS  31  14.490  10.401  -1.317
  267   3HZ   LYS  31          3HZ       LYS  31  14.787  11.883  -0.544
  268    H    VAL  32           H        VAL  32   7.736  10.787   3.340
  269    HA   VAL  32           HA       VAL  32   7.229   8.411   4.719
  270    HB   VAL  32           HB       VAL  32   4.823   9.147   4.560
  271   1HG1  VAL  32          1HG1      VAL  32   6.382   9.775   6.419
  272   2HG1  VAL  32          2HG1      VAL  32   6.917  11.228   5.493
  273   3HG1  VAL  32          3HG1      VAL  32   5.210  11.094   6.047
  274   1HG2  VAL  32          1HG2      VAL  32   6.080  11.538   3.014
  275   2HG2  VAL  32          2HG2      VAL  32   4.958  10.305   2.323
  276   3HG2  VAL  32          3HG2      VAL  32   4.400  11.418   3.617
  277    H    THR  33           H        THR  33   7.282   9.087   1.289
  278    HA   THR  33           HA       THR  33   5.508   6.964   0.565
  279    HB   THR  33           HB       THR  33   6.489   7.416  -1.756
  280    HG1  THR  33           HG1      THR  33   7.811   9.095  -1.966
  281   1HG2  THR  33          1HG2      THR  33   4.347   8.420  -0.901
  282   2HG2  THR  33          2HG2      THR  33   5.263   9.779  -0.155
  283   3HG2  THR  33          3HG2      THR  33   5.241   9.582  -1.945
  284    H    GLU  34           H        GLU  34   8.950   7.390   1.253
  285    HA   GLU  34           HA       GLU  34   9.740   4.965  -0.059
  286   1HB   GLU  34          1HB       GLU  34  11.317   6.802   1.817
  287   2HB   GLU  34          2HB       GLU  34  12.013   5.548   0.734
  288   1HG   GLU  34          1HG       GLU  34  10.537   8.122  -0.187
  289   2HG   GLU  34          2HG       GLU  34  12.316   7.895  -0.068
  290    H    VAL  35           H        VAL  35   8.222   5.637   2.879
  291    HA   VAL  35           HA       VAL  35   9.500   3.722   4.551
  292    HB   VAL  35           HB       VAL  35   6.744   5.054   4.644
  293   1HG1  VAL  35          1HG1      VAL  35   8.162   3.286   6.747
  294   2HG1  VAL  35          2HG1      VAL  35   6.726   4.323   7.074
  295   3HG1  VAL  35          3HG1      VAL  35   6.590   2.946   5.934
  296   1HG2  VAL  35          1HG2      VAL  35   9.410   5.581   6.134
  297   2HG2  VAL  35          2HG2      VAL  35   8.664   6.631   4.881
  298   3HG2  VAL  35          3HG2      VAL  35   7.847   6.419   6.463
  299    H    ALA  36           H        ALA  36   7.088   3.685   1.960
  300    HA   ALA  36           HA       ALA  36   6.047   1.110   2.587
  301   1HB   ALA  36          1HB       ALA  36   4.932   1.266   0.368
  302   2HB   ALA  36          2HB       ALA  36   5.925   2.722  -0.029
  303   3HB   ALA  36          3HB       ALA  36   4.711   2.788   1.299
  304    H    LYS  37           H        LYS  37   9.020   2.192   1.149
  305    HA   LYS  37           HA       LYS  37   9.385  -0.223  -0.420
  306   1HB   LYS  37          1HB       LYS  37  10.278   1.974  -1.207
  307   2HB   LYS  37          2HB       LYS  37  11.360   2.062   0.212
  308   1HG   LYS  37          1HG       LYS  37  11.428  -0.246  -1.839
  309   2HG   LYS  37          2HG       LYS  37  12.312   1.299  -2.075
  310   1HD   LYS  37          1HD       LYS  37  13.618   0.931   0.004
  311   2HD   LYS  37          2HD       LYS  37  12.782  -0.641   0.266
  312   1HE   LYS  37          1HE       LYS  37  13.686  -1.510  -1.909
  313   2HE   LYS  37          2HE       LYS  37  14.616   0.032  -2.123
  314   1HZ   LYS  37          1HZ       LYS  37  14.857  -1.773   0.237
  315   2HZ   LYS  37          2HZ       LYS  37  15.873  -1.816  -1.128
  316   3HZ   LYS  37          3HZ       LYS  37  15.821  -0.431  -0.147
  317    H    ARG  38           H        ARG  38  10.885   1.451   2.411
  318    HA   ARG  38           HA       ARG  38  12.623  -0.665   2.976
  319   1HB   ARG  38          1HB       ARG  38  11.730   1.757   4.639
  320   2HB   ARG  38          2HB       ARG  38  13.086   0.675   5.115
  321   1HG   ARG  38          1HG       ARG  38  12.995   2.223   2.451
  322   2HG   ARG  38          2HG       ARG  38  13.717   2.879   3.949
  323   1HD   ARG  38          1HD       ARG  38  14.648   0.219   2.674
  324   2HD   ARG  38          2HD       ARG  38  15.392   1.835   2.320
  325    HE   ARG  38           HE       ARG  38  15.548   1.917   4.988
  326   1HH1  ARG  38          1HH1      ARG  38  16.214  -0.949   2.920
  327   2HH1  ARG  38          2HH1      ARG  38  17.612  -1.416   3.806
  328   1HH2  ARG  38          1HH2      ARG  38  17.355   1.205   6.218
  329   2HH2  ARG  38          2HH2      ARG  38  18.254  -0.194   5.752
  330    H    GLY  39           H        GLY  39   9.370   0.136   4.167
  331   1HA   GLY  39          1HA       GLY  39   8.122  -0.756   5.744
  332   2HA   GLY  39          2HA       GLY  39   9.521  -1.713   6.357
  333    H    GLY  40           H        GLY  40   9.157  -2.080   2.974
  334   1HA   GLY  40          1HA       GLY  40   8.250  -3.606   1.671
  335   2HA   GLY  40          2HA       GLY  40   7.209  -4.186   3.029
  336    H    GLU  41           H        GLU  41  10.671  -3.785   3.371
  337    HA   GLU  41           HA       GLU  41  11.450  -6.445   2.789
  338   1HB   GLU  41          1HB       GLU  41  12.814  -4.220   4.431
  339   2HB   GLU  41          2HB       GLU  41  13.614  -5.730   3.866
  340   1HG   GLU  41          1HG       GLU  41  13.331  -5.054   1.502
  341   2HG   GLU  41          2HG       GLU  41  12.393  -3.593   1.980
  342    H    LEU  42           H        LEU  42  10.456  -4.580   5.648
  343    HA   LEU  42           HA       LEU  42  11.158  -6.610   7.535
  344   1HB   LEU  42          1HB       LEU  42   9.510  -4.033   7.770
  345   2HB   LEU  42          2HB       LEU  42  10.047  -5.023   9.173
  346    HG   LEU  42           HG       LEU  42  11.928  -3.632   7.165
  347   1HD1  LEU  42          1HD1      LEU  42  10.612  -1.956   8.431
  348   2HD1  LEU  42          2HD1      LEU  42  11.092  -2.727   9.989
  349   3HD1  LEU  42          3HD1      LEU  42  12.339  -1.948   8.942
  350   1HD2  LEU  42          1HD2      LEU  42  13.006  -5.596   8.265
  351   2HD2  LEU  42          2HD2      LEU  42  13.708  -4.054   8.865
  352   3HD2  LEU  42          3HD2      LEU  42  12.532  -4.962   9.887
  353    H    TRP  43           H        TRP  43   8.255  -5.627   5.731
  354    HA   TRP  43           HA       TRP  43   6.376  -6.952   7.380
  355   1HB   TRP  43          1HB       TRP  43   5.666  -5.127   5.919
  356   2HB   TRP  43          2HB       TRP  43   6.325  -5.963   4.475
  357    HD1  TRP  43           HD1      TRP  43   4.551  -7.279   3.074
  358    HE1  TRP  43           HE1      TRP  43   2.133  -8.044   3.416
  359    HE3  TRP  43           HE3      TRP  43   4.060  -6.041   8.000
  360    HZ2  TRP  43           HZ2      TRP  43   0.221  -8.105   5.539
  361    HZ3  TRP  43           HZ3      TRP  43   1.903  -6.472   9.133
  362    HH2  TRP  43           HH2      TRP  43   0.013  -7.485   7.925
  363    H    ARG  44           H        ARG  44   8.421  -7.886   4.611
  364    HA   ARG  44           HA       ARG  44   7.030 -10.212   3.942
  365   1HB   ARG  44          1HB       ARG  44   8.619  -8.976   2.467
  366   2HB   ARG  44          2HB       ARG  44   9.999  -9.543   3.454
  367   1HG   ARG  44          1HG       ARG  44   8.007 -11.513   2.196
  368   2HG   ARG  44          2HG       ARG  44   9.268 -10.739   1.179
  369   1HD   ARG  44          1HD       ARG  44  11.094 -11.735   2.420
  370   2HD   ARG  44          2HD       ARG  44  10.011 -12.373   3.707
  371    HE   ARG  44           HE       ARG  44  10.391 -13.456   0.971
  372   1HH1  ARG  44          1HH1      ARG  44   8.330 -13.482   3.919
  373   2HH1  ARG  44          2HH1      ARG  44   7.639 -15.023   3.577
  374   1HH2  ARG  44          1HH2      ARG  44   9.408 -15.531   0.526
  375   2HH2  ARG  44          2HH2      ARG  44   8.251 -16.201   1.614
  376    H    ALA  45           H        ALA  45   9.864  -9.601   6.099
  377    HA   ALA  45           HA       ALA  45   9.593 -12.349   7.133
  378   1HB   ALA  45          1HB       ALA  45  11.872 -12.010   8.096
  379   2HB   ALA  45          2HB       ALA  45  11.938 -10.366   7.347
  380   3HB   ALA  45          3HB       ALA  45  11.886 -11.831   6.306
  381    H    MET  46           H        MET  46   7.561 -11.430   8.168
  382    HA   MET  46           HA       MET  46   8.264 -10.038  10.661
  383   1HB   MET  46          1HB       MET  46   6.751  -8.854   8.873
  384   2HB   MET  46          2HB       MET  46   5.462  -9.953   9.395
  385   1HG   MET  46          1HG       MET  46   7.088  -8.267  11.408
  386   2HG   MET  46          2HG       MET  46   5.904  -7.457  10.354
  387   1HE   MET  46          1HE       MET  46   3.444  -7.543  10.417
  388   2HE   MET  46          2HE       MET  46   3.434  -9.305  10.059
  389   3HE   MET  46          3HE       MET  46   2.431  -8.657  11.396
  390    H    LYS  47           H        LYS  47   5.283 -10.909  11.284
  391    HA   LYS  47           HA       LYS  47   5.849 -13.745  11.825
  392   1HB   LYS  47          1HB       LYS  47   4.215 -11.762  13.524
  393   2HB   LYS  47          2HB       LYS  47   4.404 -13.532  13.840
  394   1HG   LYS  47          1HG       LYS  47   6.878 -13.185  14.123
  395   2HG   LYS  47          2HG       LYS  47   6.640 -11.416  13.891
  396   1HD   LYS  47          1HD       LYS  47   5.103 -11.377  15.880
  397   2HD   LYS  47          2HD       LYS  47   5.392 -13.139  16.121
  398   1HE   LYS  47          1HE       LYS  47   7.853 -12.677  16.487
  399   2HE   LYS  47          2HE       LYS  47   7.540 -10.905  16.272
  400   1HZ   LYS  47          1HZ       LYS  47   6.054 -11.006  18.168
  401   2HZ   LYS  47          2HZ       LYS  47   6.378 -12.660  18.376
  402   3HZ   LYS  47          3HZ       LYS  47   7.620 -11.521  18.570
  403    H    ASP  48           H        ASP  48   2.750 -12.961  12.773
  404    HA   ASP  48           HA       ASP  48   1.686 -14.119  10.341
  405   1HB   ASP  48          1HB       ASP  48   0.323 -13.446  13.026
  406   2HB   ASP  48          2HB       ASP  48  -0.424 -14.380  11.674
  407    H    LYS  49           H        LYS  49  -0.319 -13.237   9.399
  408    HA   LYS  49           HA       LYS  49  -0.397 -10.313   9.415
  409   1HB   LYS  49          1HB       LYS  49  -1.825 -12.380   7.624
  410   2HB   LYS  49          2HB       LYS  49  -2.074 -10.604   7.551
  411   1HG   LYS  49          1HG       LYS  49  -0.692 -10.954   5.792
  412   2HG   LYS  49          2HG       LYS  49   0.442 -10.363   7.051
  413   1HD   LYS  49          1HD       LYS  49   1.278 -12.666   7.419
  414   2HD   LYS  49          2HD       LYS  49   0.018 -13.343   6.332
  415   1HE   LYS  49          1HE       LYS  49   2.283 -11.417   5.451
  416   2HE   LYS  49          2HE       LYS  49   2.279 -13.214   5.226
  417   1HZ   LYS  49          1HZ       LYS  49   0.306 -11.307   4.066
  418   2HZ   LYS  49          2HZ       LYS  49   1.592 -12.054   3.251
  419   3HZ   LYS  49          3HZ       LYS  49   0.315 -12.990   3.859
  420    H    SER  50           H        SER  50  -1.650 -12.853  11.166
  421    HA   SER  50           HA       SER  50  -4.378 -12.628  10.984
  422   1HB   SER  50          1HB       SER  50  -3.074 -14.592  11.904
  423   2HB   SER  50          2HB       SER  50  -2.736 -13.630  13.386
  424    HG   SER  50           HG       SER  50  -5.259 -14.456  12.358
  425    H    GLU  51           H        GLU  51  -2.070 -10.769  12.937
  426    HA   GLU  51           HA       GLU  51  -3.860  -9.736  14.818
  427   1HB   GLU  51          1HB       GLU  51  -1.386  -9.686  15.060
  428   2HB   GLU  51          2HB       GLU  51  -1.252  -8.585  13.650
  429   1HG   GLU  51          1HG       GLU  51  -2.422  -6.774  14.911
  430   2HG   GLU  51          2HG       GLU  51  -2.714  -7.901  16.291
  431    H    TRP  52           H        TRP  52  -2.825  -8.632  11.562
  432    HA   TRP  52           HA       TRP  52  -4.088  -6.095  11.915
  433   1HB   TRP  52          1HB       TRP  52  -2.673  -7.300   9.475
  434   2HB   TRP  52          2HB       TRP  52  -3.146  -5.570   9.685
  435    HD1  TRP  52           HD1      TRP  52  -0.238  -7.900  10.448
  436    HE1  TRP  52           HE1      TRP  52   1.379  -6.798  12.105
  437    HE3  TRP  52           HE3      TRP  52  -3.113  -3.900  11.777
  438    HZ2  TRP  52           HZ2      TRP  52   1.461  -4.438  13.721
  439    HZ3  TRP  52           HZ3      TRP  52  -2.226  -2.259  13.396
  440    HH2  TRP  52           HH2      TRP  52   0.026  -2.534  14.368
  441    H    GLU  53           H        GLU  53  -4.876  -9.152  10.205
  442    HA   GLU  53           HA       GLU  53  -6.949  -7.858   8.703
  443   1HB   GLU  53          1HB       GLU  53  -7.556 -10.049   7.832
  444   2HB   GLU  53          2HB       GLU  53  -5.816  -9.688   7.668
  445   1HG   GLU  53          1HG       GLU  53  -5.820 -11.941   8.244
  446   2HG   GLU  53          2HG       GLU  53  -5.416 -11.124   9.793
  447    H    ALA  54           H        ALA  54  -6.644  -9.390  11.860
  448    HA   ALA  54           HA       ALA  54  -9.450  -9.692  12.279
  449   1HB   ALA  54          1HB       ALA  54  -8.807 -10.047  14.679
  450   2HB   ALA  54          2HB       ALA  54  -7.113  -9.553  14.285
  451   3HB   ALA  54          3HB       ALA  54  -7.806 -11.055  13.574
  452    H    LYS  55           H        LYS  55  -7.013  -7.139  12.668
  453    HA   LYS  55           HA       LYS  55  -8.627  -5.477  14.323
  454   1HB   LYS  55          1HB       LYS  55  -6.085  -5.493  14.235
  455   2HB   LYS  55          2HB       LYS  55  -6.177  -4.712  12.624
  456   1HG   LYS  55          1HG       LYS  55  -7.308  -2.727  13.677
  457   2HG   LYS  55          2HG       LYS  55  -7.353  -3.595  15.253
  458   1HD   LYS  55          1HD       LYS  55  -4.824  -3.701  15.221
  459   2HD   LYS  55          2HD       LYS  55  -4.832  -2.687  13.733
  460   1HE   LYS  55          1HE       LYS  55  -5.973  -0.829  15.008
  461   2HE   LYS  55          2HE       LYS  55  -6.005  -1.870  16.489
  462   1HZ   LYS  55          1HZ       LYS  55  -3.600  -1.922  16.433
  463   2HZ   LYS  55          2HZ       LYS  55  -3.576  -0.921  15.060
  464   3HZ   LYS  55          3HZ       LYS  55  -4.191  -0.334  16.528
  465    H    ALA  56           H        ALA  56  -8.234  -6.071  10.872
  466    HA   ALA  56           HA       ALA  56  -9.448  -3.644   9.998
  467   1HB   ALA  56          1HB       ALA  56  -7.810  -4.891   8.568
  468   2HB   ALA  56          2HB       ALA  56  -8.949  -6.283   8.493
  469   3HB   ALA  56          3HB       ALA  56  -9.399  -4.701   7.747
  470    H    ALA  57           H        ALA  57 -10.706  -6.447  11.495
  471    HA   ALA  57           HA       ALA  57 -13.170  -6.596  10.051
  472   1HB   ALA  57          1HB       ALA  57 -13.906  -8.113  11.873
  473   2HB   ALA  57          2HB       ALA  57 -12.259  -8.574  11.310
  474   3HB   ALA  57          3HB       ALA  57 -12.459  -7.664  12.851
  475    H    LYS  58           H        LYS  58 -11.817  -4.594  12.588
  476    HA   LYS  58           HA       LYS  58 -14.255  -3.721  13.744
  477   1HB   LYS  58          1HB       LYS  58 -12.025  -3.534  14.865
  478   2HB   LYS  58          2HB       LYS  58 -11.489  -2.345  13.641
  479   1HG   LYS  58          1HG       LYS  58 -13.996  -1.834  15.346
  480   2HG   LYS  58          2HG       LYS  58 -12.356  -1.613  16.041
  481   1HD   LYS  58          1HD       LYS  58 -11.770   0.056  14.318
  482   2HD   LYS  58          2HD       LYS  58 -13.388  -0.115  13.559
  483   1HE   LYS  58          1HE       LYS  58 -14.477   0.665  15.709
  484   2HE   LYS  58          2HE       LYS  58 -12.828   0.926  16.411
  485   1HZ   LYS  58          1HZ       LYS  58 -12.408   2.470  14.559
  486   2HZ   LYS  58          2HZ       LYS  58 -14.020   2.298  14.045
  487   3HZ   LYS  58          3HZ       LYS  58 -13.685   2.948  15.568
  488    H    ALA  59           H        ALA  59 -12.229  -2.817  10.960
  489    HA   ALA  59           HA       ALA  59 -13.351  -0.296  10.523
  490   1HB   ALA  59          1HB       ALA  59 -11.896  -2.120   8.527
  491   2HB   ALA  59          2HB       ALA  59 -12.152  -0.342   8.367
  492   3HB   ALA  59          3HB       ALA  59 -11.097  -0.984   9.673
  493    H    LYS  60           H        LYS  60 -14.514  -3.512   9.762
  494    HA   LYS  60           HA       LYS  60 -16.178  -2.794   7.575
  495   1HB   LYS  60          1HB       LYS  60 -15.410  -5.136   8.017
  496   2HB   LYS  60          2HB       LYS  60 -16.342  -5.152   9.549
  497   1HG   LYS  60          1HG       LYS  60 -18.475  -4.912   8.267
  498   2HG   LYS  60          2HG       LYS  60 -17.549  -4.801   6.728
  499   1HD   LYS  60          1HD       LYS  60 -16.691  -7.114   7.065
  500   2HD   LYS  60          2HD       LYS  60 -17.555  -7.217   8.643
  501   1HE   LYS  60          1HE       LYS  60 -19.765  -6.973   7.467
  502   2HE   LYS  60          2HE       LYS  60 -18.910  -6.853   5.876
  503   1HZ   LYS  60          1HZ       LYS  60 -18.835  -9.177   7.733
  504   2HZ   LYS  60          2HZ       LYS  60 -19.742  -9.051   6.304
  505   3HZ   LYS  60          3HZ       LYS  60 -18.047  -9.065   6.233
  506    H    ASP  61           H        ASP  61 -16.542  -3.022  11.136
  507    HA   ASP  61           HA       ASP  61 -19.328  -2.444  11.154
  508   1HB   ASP  61          1HB       ASP  61 -18.196  -3.782  12.946
  509   2HB   ASP  61          2HB       ASP  61 -17.189  -2.360  13.377
  510    H    ASP  62           H        ASP  62 -16.312  -0.605  11.162
  511    HA   ASP  62           HA       ASP  62 -17.366   1.819  12.132
  512   1HB   ASP  62          1HB       ASP  62 -14.881   0.992  12.048
  513   2HB   ASP  62          2HB       ASP  62 -14.891   1.473  10.320
  514    H    TYR  63           H        TYR  63 -16.907   0.339   8.931
  515    HA   TYR  63           HA       TYR  63 -17.452   2.520   7.304
  516   1HB   TYR  63          1HB       TYR  63 -16.318   0.423   6.533
  517   2HB   TYR  63          2HB       TYR  63 -17.822  -0.510   6.821
  518    HD1  TYR  63           HD1      TYR  63 -16.332   2.253   4.729
  519    HD2  TYR  63           HD2      TYR  63 -19.489  -0.633   5.153
  520    HE1  TYR  63           HE1      TYR  63 -17.029   2.673   2.401
  521    HE2  TYR  63           HE2      TYR  63 -20.193  -0.214   2.828
  522    HH   TYR  63           HH       TYR  63 -18.432   2.075   0.699
  523    H    ASP  64           H        ASP  64 -19.569   0.166   8.943
  524    HA   ASP  64           HA       ASP  64 -21.904   0.524   7.528
  525   1HB   ASP  64          1HB       ASP  64 -21.438  -1.301   9.231
  526   2HB   ASP  64          2HB       ASP  64 -21.539  -0.074  10.536
  527    H    ARG  65           H        ARG  65 -20.506   2.398  10.241
  528    HA   ARG  65           HA       ARG  65 -22.898   3.940  10.603
  529   1HB   ARG  65          1HB       ARG  65 -20.154   4.623  11.776
  530   2HB   ARG  65          2HB       ARG  65 -21.784   4.985  12.438
  531   1HG   ARG  65          1HG       ARG  65 -20.310   2.287  12.281
  532   2HG   ARG  65          2HG       ARG  65 -20.640   3.253  13.751
  533   1HD   ARG  65          1HD       ARG  65 -23.095   2.753  13.586
  534   2HD   ARG  65          2HD       ARG  65 -22.830   1.877  12.033
  535    HE   ARG  65           HE       ARG  65 -21.685   0.120  13.138
  536   1HH1  ARG  65          1HH1      ARG  65 -22.804   2.581  15.497
  537   2HH1  ARG  65          2HH1      ARG  65 -22.560   1.562  16.869
  538   1HH2  ARG  65          1HH2      ARG  65 -21.280  -1.194  15.002
  539   2HH2  ARG  65          2HH2      ARG  65 -21.695  -0.636  16.579
  540    H    ALA  66           H        ALA  66 -19.728   4.210   9.042
  541    HA   ALA  66           HA       ALA  66 -19.626   6.964   8.766
  542   1HB   ALA  66          1HB       ALA  66 -17.623   5.469   8.632
  543   2HB   ALA  66          2HB       ALA  66 -17.749   6.520   7.177
  544   3HB   ALA  66          3HB       ALA  66 -18.242   4.785   7.086
  545    H    VAL  67           H        VAL  67 -21.108   4.463   6.654
  546    HA   VAL  67           HA       VAL  67 -21.232   6.193   4.411
  547    HB   VAL  67           HB       VAL  67 -22.803   4.538   3.416
  548   1HG1  VAL  67          1HG1      VAL  67 -20.334   4.524   3.081
  549   2HG1  VAL  67          2HG1      VAL  67 -20.122   3.484   4.536
  550   3HG1  VAL  67          3HG1      VAL  67 -21.014   2.857   3.104
  551   1HG2  VAL  67          1HG2      VAL  67 -23.849   3.672   5.540
  552   2HG2  VAL  67          2HG2      VAL  67 -23.097   2.353   4.578
  553   3HG2  VAL  67          3HG2      VAL  67 -22.264   2.976   6.040
  554    H    LYS  68           H        LYS  68 -23.259   5.852   7.278
  555    HA   LYS  68           HA       LYS  68 -25.577   6.982   6.047
  556   1HB   LYS  68          1HB       LYS  68 -24.782   6.784   9.009
  557   2HB   LYS  68          2HB       LYS  68 -26.352   7.419   8.398
  558   1HG   LYS  68          1HG       LYS  68 -26.743   5.205   7.231
  559   2HG   LYS  68          2HG       LYS  68 -25.305   4.543   8.089
  560   1HD   LYS  68          1HD       LYS  68 -26.380   5.028  10.284
  561   2HD   LYS  68          2HD       LYS  68 -27.756   5.833   9.447
  562   1HE   LYS  68          1HE       LYS  68 -28.368   3.642   8.344
  563   2HE   LYS  68          2HE       LYS  68 -27.035   2.826   9.261
  564   1HZ   LYS  68          1HZ       LYS  68 -29.362   4.260  10.441
  565   2HZ   LYS  68          2HZ       LYS  68 -29.167   2.577  10.320
  566   3HZ   LYS  68          3HZ       LYS  68 -28.122   3.484  11.303
  567    H    GLU  69           H        GLU  69 -22.645   8.205   7.655
  568    HA   GLU  69           HA       GLU  69 -23.582  10.865   7.969
  569   1HB   GLU  69          1HB       GLU  69 -20.705   9.775   7.853
  570   2HB   GLU  69          2HB       GLU  69 -21.202  11.396   8.463
  571   1HG   GLU  69          1HG       GLU  69 -22.478  10.313  10.330
  572   2HG   GLU  69          2HG       GLU  69 -22.042   8.682   9.701
  573    H    PHE  70           H        PHE  70 -21.721   9.044   5.543
  574    HA   PHE  70           HA       PHE  70 -20.884  11.180   3.962
  575   1HB   PHE  70          1HB       PHE  70 -19.786   8.949   3.887
  576   2HB   PHE  70          2HB       PHE  70 -21.327   8.184   3.364
  577    HD1  PHE  70           HD1      PHE  70 -19.096  11.062   2.238
  578    HD2  PHE  70           HD2      PHE  70 -21.458   7.644   1.128
  579    HE1  PHE  70           HE1      PHE  70 -18.567  11.463  -0.145
  580    HE2  PHE  70           HE2      PHE  70 -20.957   8.073  -1.253
  581    HZ   PHE  70           HZ       PHE  70 -19.511   9.981  -1.894
  582    H    GLU  71           H        GLU  71 -23.746   8.956   3.690
  583    HA   GLU  71           HA       GLU  71 -24.592  10.316   1.295
  584   1HB   GLU  71          1HB       GLU  71 -25.848   8.000   2.852
  585   2HB   GLU  71          2HB       GLU  71 -26.400   8.604   1.245
  586   1HG   GLU  71          1HG       GLU  71 -24.174   8.038   0.244
  587   2HG   GLU  71          2HG       GLU  71 -23.603   7.425   1.838
  588    H    ALA  72           H        ALA  72 -24.732  11.391   4.352
  589    HA   ALA  72           HA       ALA  72 -27.499  12.374   4.164
  590   1HB   ALA  72          1HB       ALA  72 -27.174  13.171   6.511
  591   2HB   ALA  72          2HB       ALA  72 -26.906  11.402   6.384
  592   3HB   ALA  72          3HB       ALA  72 -25.491  12.511   6.492
  593    H    ASN  73           H        ASN  73 -25.406  13.212   2.281
  594    HA   ASN  73           HA       ASN  73 -25.340  16.062   3.017
  595   1HB   ASN  73          1HB       ASN  73 -23.310  14.507   1.278
  596   2HB   ASN  73          2HB       ASN  73 -23.371  16.302   1.434
  597   2HD2  ASN  73          2HD2      ASN  73 -23.598  16.898   4.047
  598   1HD2  ASN  73          1HD2      ASN  73 -22.325  16.203   4.993
  599    H    GLY  74           H        GLY  74 -26.385  17.352   1.520
  600   1HA   GLY  74          1HA       GLY  74 -28.137  16.131  -0.229
  601   2HA   GLY  74          2HA       GLY  74 -26.703  16.789  -1.138

  No H/Q in entry =         601
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1 -29.919  13.151  14.497
    2    H2   MET   1           H2       MET   1 -29.476  14.087  15.847
    3    H3   MET   1           H3       MET   1 -28.569  14.173  14.411
    4    HA   MET   1           HA       MET   1 -27.407  12.873  16.003
    5   1HB   MET   1          1HB       MET   1 -29.911  11.063  15.910
    6   2HB   MET   1          2HB       MET   1 -28.369  10.636  16.728
    7   1HG   MET   1          1HG       MET   1 -28.615  12.568  18.265
    8   2HG   MET   1          2HG       MET   1 -30.159  13.029  17.489
    9   1HE   MET   1          1HE       MET   1 -32.383  11.913  17.708
   10   2HE   MET   1          2HE       MET   1 -31.775  10.398  16.953
   11   3HE   MET   1          3HE       MET   1 -32.709  10.327  18.483
   12    H    SER   2           H        SER   2 -25.801  11.920  14.765
   13    HA   SER   2           HA       SER   2 -26.535  10.035  12.711
   14   1HB   SER   2          1HB       SER   2 -24.839  12.559  12.101
   15   2HB   SER   2          2HB       SER   2 -25.091  11.170  10.975
   16    HG   SER   2           HG       SER   2 -27.228  11.707  10.847
   17    H    ASP   3           H        ASP   3 -24.522   8.911  11.997
   18    HA   ASP   3           HA       ASP   3 -22.225   9.296  13.772
   19   1HB   ASP   3          1HB       ASP   3 -23.460   6.599  12.882
   20   2HB   ASP   3          2HB       ASP   3 -21.847   6.774  13.670
   21    H    LYS   4           H        LYS   4 -20.260   8.328  12.620
   22    HA   LYS   4           HA       LYS   4 -20.561   8.593   9.709
   23   1HB   LYS   4          1HB       LYS   4 -19.351  10.550  10.808
   24   2HB   LYS   4          2HB       LYS   4 -18.153   9.385  11.453
   25   1HG   LYS   4          1HG       LYS   4 -17.654   8.722   9.012
   26   2HG   LYS   4          2HG       LYS   4 -18.726  10.063   8.496
   27   1HD   LYS   4          1HD       LYS   4 -17.236  11.690   9.691
   28   2HD   LYS   4          2HD       LYS   4 -16.211  10.324  10.264
   29   1HE   LYS   4          1HE       LYS   4 -15.642   9.743   7.872
   30   2HE   LYS   4          2HE       LYS   4 -16.635  11.147   7.306
   31   1HZ   LYS   4          1HZ       LYS   4 -15.171  12.599   8.560
   32   2HZ   LYS   4          2HZ       LYS   4 -14.234  11.273   9.058
   33   3HZ   LYS   4          3HZ       LYS   4 -14.318  11.686   7.413
   34    HA   PRO   5           HA       PRO   5 -18.612   4.528  10.433
   35   1HB   PRO   5          1HB       PRO   5 -18.252   3.666   7.804
   36   2HB   PRO   5          2HB       PRO   5 -19.884   3.752   8.570
   37   1HG   PRO   5          1HG       PRO   5 -18.567   5.845   6.760
   38   2HG   PRO   5          2HG       PRO   5 -20.229   5.128   6.621
   39   1HD   PRO   5          1HD       PRO   5 -19.739   7.560   7.882
   40   2HD   PRO   5          2HD       PRO   5 -21.031   6.422   8.484
   41    H    LYS   6           H        LYS   6 -16.416   3.477   9.905
   42    HA   LYS   6           HA       LYS   6 -14.432   5.585   9.419
   43   1HB   LYS   6          1HB       LYS   6 -14.267   4.416  11.600
   44   2HB   LYS   6          2HB       LYS   6 -14.117   2.839  10.760
   45   1HG   LYS   6          1HG       LYS   6 -11.971   3.463   9.794
   46   2HG   LYS   6          2HG       LYS   6 -12.148   5.176  10.309
   47   1HD   LYS   6          1HD       LYS   6 -11.936   2.813  12.277
   48   2HD   LYS   6          2HD       LYS   6 -10.527   3.741  11.648
   49   1HE   LYS   6          1HE       LYS   6 -11.481   5.872  12.600
   50   2HE   LYS   6          2HE       LYS   6 -12.854   4.933  13.313
   51   1HZ   LYS   6          1HZ       LYS   6  -9.969   4.533  13.909
   52   2HZ   LYS   6          2HZ       LYS   6 -11.099   5.340  14.884
   53   3HZ   LYS   6          3HZ       LYS   6 -11.265   3.676  14.594
   54    H    ARG   7           H        ARG   7 -12.883   5.275   7.827
   55    HA   ARG   7           HA       ARG   7 -13.743   3.968   5.529
   56   1HB   ARG   7          1HB       ARG   7 -11.179   5.416   6.386
   57   2HB   ARG   7          2HB       ARG   7 -11.319   4.707   4.750
   58   1HG   ARG   7          1HG       ARG   7 -13.325   6.044   4.264
   59   2HG   ARG   7          2HG       ARG   7 -13.250   6.812   5.891
   60   1HD   ARG   7          1HD       ARG   7 -11.107   7.903   5.367
   61   2HD   ARG   7          2HD       ARG   7 -10.934   6.964   3.839
   62    HE   ARG   7           HE       ARG   7 -13.007   9.111   4.399
   63   1HH1  ARG   7          1HH1      ARG   7 -11.173   7.138   1.999
   64   2HH1  ARG   7          2HH1      ARG   7 -11.600   8.161   0.671
   65   1HH2  ARG   7          1HH2      ARG   7 -13.635  10.384   2.550
   66   2HH2  ARG   7          2HH2      ARG   7 -13.053   9.973   0.976
   67    HA   PRO   8           HA       PRO   8 -11.859   0.074   6.056
   68   1HB   PRO   8          1HB       PRO   8 -11.270  -0.805   3.487
   69   2HB   PRO   8          2HB       PRO   8 -12.969  -0.485   4.013
   70   1HG   PRO   8          1HG       PRO   8 -11.110   1.402   2.468
   71   2HG   PRO   8          2HG       PRO   8 -12.823   0.950   2.076
   72   1HD   PRO   8          1HD       PRO   8 -12.125   3.254   3.468
   73   2HD   PRO   8          2HD       PRO   8 -13.669   2.365   3.829
   74    H    LEU   9           H        LEU   9  -9.776  -1.164   5.979
   75    HA   LEU   9           HA       LEU   9  -7.446   0.532   5.477
   76   1HB   LEU   9          1HB       LEU   9  -8.276  -0.812   8.122
   77   2HB   LEU   9          2HB       LEU   9  -6.608  -0.219   7.816
   78    HG   LEU   9           HG       LEU   9  -9.012   1.660   7.535
   79   1HD1  LEU   9          1HD1      LEU   9  -9.262   0.625   9.771
   80   2HD1  LEU   9          2HD1      LEU   9  -7.595   1.162  10.208
   81   3HD1  LEU   9          3HD1      LEU   9  -8.865   2.380   9.846
   82   1HD2  LEU   9          1HD2      LEU   9  -6.817   2.451   6.657
   83   2HD2  LEU   9          2HD2      LEU   9  -7.353   3.425   8.074
   84   3HD2  LEU   9          3HD2      LEU   9  -6.063   2.179   8.274
   85    H    SER  10           H        SER  10  -5.472  -0.846   5.523
   86    HA   SER  10           HA       SER  10  -6.102  -3.609   4.726
   87   1HB   SER  10          1HB       SER  10  -5.298  -2.112   2.820
   88   2HB   SER  10          2HB       SER  10  -3.789  -1.814   3.750
   89    HG   SER  10           HG       SER  10  -3.672  -3.477   2.160
   90    H    ALA  11           H        ALA  11  -4.272  -5.105   5.263
   91    HA   ALA  11           HA       ALA  11  -3.615  -4.818   7.984
   92   1HB   ALA  11          1HB       ALA  11  -4.081  -7.037   6.901
   93   2HB   ALA  11          2HB       ALA  11  -2.465  -7.025   7.693
   94   3HB   ALA  11          3HB       ALA  11  -2.600  -6.857   5.899
   95    H    TYR  12           H        TYR  12  -1.861  -4.419   4.922
   96    HA   TYR  12           HA       TYR  12   0.719  -4.251   6.018
   97   1HB   TYR  12          1HB       TYR  12   0.292  -4.828   3.610
   98   2HB   TYR  12          2HB       TYR  12  -0.443  -3.206   3.349
   99    HD1  TYR  12           HD1      TYR  12   2.756  -4.225   5.159
  100    HD2  TYR  12           HD2      TYR  12   0.977  -2.106   1.862
  101    HE1  TYR  12           HE1      TYR  12   4.957  -3.316   4.562
  102    HE2  TYR  12           HE2      TYR  12   3.183  -1.187   1.266
  103    HH   TYR  12           HH       TYR  12   5.411  -1.098   1.787
  104    H    MET  13           H        MET  13  -1.859  -1.853   5.265
  105    HA   MET  13           HA       MET  13  -0.123   0.349   5.706
  106   1HB   MET  13          1HB       MET  13  -3.160   0.277   5.406
  107   2HB   MET  13          2HB       MET  13  -2.162   1.767   5.474
  108   1HG   MET  13          1HG       MET  13  -2.178  -0.400   3.306
  109   2HG   MET  13          2HG       MET  13  -2.698   1.303   3.169
  110   1HE   MET  13          1HE       MET  13  -0.953   3.337   3.668
  111   2HE   MET  13          2HE       MET  13   0.080   2.581   4.929
  112   3HE   MET  13          3HE       MET  13   0.824   3.217   3.428
  113    H    LEU  14           H        LEU  14  -2.128  -1.630   7.797
  114    HA   LEU  14           HA       LEU  14  -2.318   0.313   9.886
  115   1HB   LEU  14          1HB       LEU  14  -2.764  -2.708   9.750
  116   2HB   LEU  14          2HB       LEU  14  -2.872  -1.797  11.298
  117    HG   LEU  14           HG       LEU  14  -4.569  -1.056   8.865
  118   1HD1  LEU  14          1HD1      LEU  14  -5.055  -3.420   9.512
  119   2HD1  LEU  14          2HD1      LEU  14  -5.329  -2.900  11.216
  120   3HD1  LEU  14          3HD1      LEU  14  -6.431  -2.324   9.907
  121   1HD2  LEU  14          1HD2      LEU  14  -4.754  -0.378  11.872
  122   2HD2  LEU  14          2HD2      LEU  14  -4.363   0.760  10.526
  123   3HD2  LEU  14          3HD2      LEU  14  -5.999   0.021  10.640
  124    H    TRP  15           H        TRP  15  -0.064  -2.283   8.932
  125    HA   TRP  15           HA       TRP  15   1.455  -2.178  11.334
  126   1HB   TRP  15          1HB       TRP  15   1.419  -4.196   9.929
  127   2HB   TRP  15          2HB       TRP  15   2.063  -3.275   8.531
  128    HD1  TRP  15           HD1      TRP  15   3.318  -4.848  11.912
  129    HE1  TRP  15           HE1      TRP  15   5.878  -4.828  11.888
  130    HE3  TRP  15           HE3      TRP  15   3.998  -2.191   7.614
  131    HZ2  TRP  15           HZ2      TRP  15   7.958  -3.703  10.272
  132    HZ3  TRP  15           HZ3      TRP  15   6.288  -1.575   6.933
  133    HH2  TRP  15           HH2      TRP  15   8.239  -2.305   8.248
  134    H    LEU  16           H        LEU  16   1.332  -0.370   8.301
  135    HA   LEU  16           HA       LEU  16   3.936   0.514   8.192
  136   1HB   LEU  16          1HB       LEU  16   1.623   0.767   6.644
  137   2HB   LEU  16          2HB       LEU  16   1.880   2.453   7.143
  138    HG   LEU  16           HG       LEU  16   2.873   2.072   4.991
  139   1HD1  LEU  16          1HD1      LEU  16   4.199   3.563   6.493
  140   2HD1  LEU  16          2HD1      LEU  16   5.214   2.158   6.996
  141   3HD1  LEU  16          3HD1      LEU  16   5.229   2.711   5.284
  142   1HD2  LEU  16          1HD2      LEU  16   3.068  -0.385   5.046
  143   2HD2  LEU  16          2HD2      LEU  16   4.608   0.371   4.493
  144   3HD2  LEU  16          3HD2      LEU  16   4.476  -0.284   6.165
  145    H    ASN  17           H        ASN  17   1.058   1.957   9.809
  146    HA   ASN  17           HA       ASN  17   2.444   4.354  10.424
  147   1HB   ASN  17          1HB       ASN  17   0.467   5.024  11.743
  148   2HB   ASN  17          2HB       ASN  17   0.083   4.547  10.063
  149   2HD2  ASN  17          2HD2      ASN  17  -1.534   3.037   9.754
  150   1HD2  ASN  17          1HD2      ASN  17  -2.264   2.089  11.008
  151    H    SER  18           H        SER  18   2.037   1.255  12.103
  152    HA   SER  18           HA       SER  18   2.708   2.360  14.657
  153   1HB   SER  18          1HB       SER  18   2.835  -0.060  15.403
  154   2HB   SER  18          2HB       SER  18   1.252   0.449  14.716
  155    HG   SER  18           HG       SER  18   1.593  -0.686  12.964
  156    H    ALA  19           H        ALA  19   4.415   0.710  11.981
  157    HA   ALA  19           HA       ALA  19   6.906   0.690  13.478
  158   1HB   ALA  19          1HB       ALA  19   6.279  -1.290  12.064
  159   2HB   ALA  19          2HB       ALA  19   6.257  -0.230  10.612
  160   3HB   ALA  19          3HB       ALA  19   7.803  -0.523  11.500
  161    H    ARG  20           H        ARG  20   5.349   3.225  12.265
  162    HA   ARG  20           HA       ARG  20   7.122   4.120  10.232
  163   1HB   ARG  20          1HB       ARG  20   4.622   4.704  10.608
  164   2HB   ARG  20          2HB       ARG  20   5.164   5.901  11.805
  165   1HG   ARG  20          1HG       ARG  20   6.317   5.816   8.949
  166   2HG   ARG  20          2HG       ARG  20   4.678   6.472   9.218
  167   1HD   ARG  20          1HD       ARG  20   7.224   7.596  10.583
  168   2HD   ARG  20          2HD       ARG  20   6.448   8.255   9.095
  169    HE   ARG  20           HE       ARG  20   4.376   8.664  10.384
  170   1HH1  ARG  20          1HH1      ARG  20   7.343   8.183  12.339
  171   2HH1  ARG  20          2HH1      ARG  20   6.774   9.127  13.669
  172   1HH2  ARG  20          1HH2      ARG  20   3.634   9.920  12.192
  173   2HH2  ARG  20          2HH2      ARG  20   4.628  10.123  13.585
  174    H    GLU  21           H        GLU  21   6.730   4.595  13.737
  175    HA   GLU  21           HA       GLU  21   8.435   6.804  13.977
  176   1HB   GLU  21          1HB       GLU  21   7.565   4.756  16.091
  177   2HB   GLU  21          2HB       GLU  21   8.351   6.343  16.419
  178   1HG   GLU  21          1HG       GLU  21   6.384   7.511  15.322
  179   2HG   GLU  21          2HG       GLU  21   5.581   5.909  15.108
  180    H    SER  22           H        SER  22   9.035   3.273  13.987
  181    HA   SER  22           HA       SER  22  11.604   3.531  15.190
  182   1HB   SER  22          1HB       SER  22  11.894   1.104  14.471
  183   2HB   SER  22          2HB       SER  22  10.482   1.442  15.531
  184    HG   SER  22           HG       SER  22  10.553   0.846  12.797
  185    H    ILE  23           H        ILE  23  10.373   3.122  11.827
  186    HA   ILE  23           HA       ILE  23  12.858   2.798  10.639
  187    HB   ILE  23           HB       ILE  23  10.147   3.659   9.556
  188   1HG1  ILE  23          1HG1      ILE  23  11.731   1.010   9.382
  189   2HG1  ILE  23          2HG1      ILE  23  10.427   1.334  10.563
  190   1HG2  ILE  23          1HG2      ILE  23  12.690   2.930   7.948
  191   2HG2  ILE  23          2HG2      ILE  23  11.050   3.148   7.255
  192   3HG2  ILE  23          3HG2      ILE  23  11.882   4.546   7.982
  193   1HD1  ILE  23          1HD1      ILE  23   8.786   1.650   8.676
  194   2HD1  ILE  23          2HD1      ILE  23  10.082   1.218   7.496
  195   3HD1  ILE  23          3HD1      ILE  23   9.528   0.009   8.707
  196    H    LYS  24           H        LYS  24  10.979   5.800  11.342
  197    HA   LYS  24           HA       LYS  24  12.625   7.364   9.670
  198   1HB   LYS  24          1HB       LYS  24  11.427   9.322  10.469
  199   2HB   LYS  24          2HB       LYS  24  10.337   7.982  10.024
  200   1HG   LYS  24          1HG       LYS  24   9.291   8.684  11.920
  201   2HG   LYS  24          2HG       LYS  24  10.328   7.386  12.588
  202   1HD   LYS  24          1HD       LYS  24  10.365   9.213  14.124
  203   2HD   LYS  24          2HD       LYS  24  11.973   9.211  13.327
  204   1HE   LYS  24          1HE       LYS  24  11.231  11.115  11.836
  205   2HE   LYS  24          2HE       LYS  24   9.604  11.087  12.632
  206   1HZ   LYS  24          1HZ       LYS  24  10.685  11.595  14.720
  207   2HZ   LYS  24          2HZ       LYS  24  12.208  11.622  13.967
  208   3HZ   LYS  24          3HZ       LYS  24  11.031  12.768  13.543
  209    H    ARG  25           H        ARG  25  13.151   6.230  12.938
  210    HA   ARG  25           HA       ARG  25  15.008   8.423  13.471
  211   1HB   ARG  25          1HB       ARG  25  14.241   6.032  15.228
  212   2HB   ARG  25          2HB       ARG  25  15.402   7.337  15.656
  213   1HG   ARG  25          1HG       ARG  25  13.449   9.009  15.206
  214   2HG   ARG  25          2HG       ARG  25  12.381   7.572  15.191
  215   1HD   ARG  25          1HD       ARG  25  12.266   8.518  17.406
  216   2HD   ARG  25          2HD       ARG  25  13.273   7.016  17.575
  217    HE   ARG  25           HE       ARG  25  15.260   8.746  17.183
  218   1HH1  ARG  25          1HH1      ARG  25  12.324   9.346  19.157
  219   2HH1  ARG  25          2HH1      ARG  25  13.059  10.578  20.113
  220   1HH2  ARG  25          1HH2      ARG  25  16.230  10.413  18.496
  221   2HH2  ARG  25          2HH2      ARG  25  15.317  11.188  19.735
  222    H    GLU  26           H        GLU  26  14.924   4.935  12.648
  223    HA   GLU  26           HA       GLU  26  17.667   4.486  13.141
  224   1HB   GLU  26          1HB       GLU  26  15.600   2.995  11.432
  225   2HB   GLU  26          2HB       GLU  26  17.287   2.410  11.676
  226   1HG   GLU  26          1HG       GLU  26  16.946   2.181  14.100
  227   2HG   GLU  26          2HG       GLU  26  15.300   2.897  13.987
  228    H    ASN  27           H        ASN  27  15.751   5.219  10.164
  229    HA   ASN  27           HA       ASN  27  18.181   5.269   8.592
  230   1HB   ASN  27          1HB       ASN  27  15.241   5.774   7.823
  231   2HB   ASN  27          2HB       ASN  27  16.624   5.870   6.671
  232   2HD2  ASN  27          2HD2      ASN  27  14.763   3.640   8.809
  233   1HD2  ASN  27          1HD2      ASN  27  15.272   2.171   8.043
  234    HA   PRO  28           HA       PRO  28  18.568   9.461   9.695
  235   1HB   PRO  28          1HB       PRO  28  20.470  10.410   7.940
  236   2HB   PRO  28          2HB       PRO  28  20.796   9.045   9.069
  237   1HG   PRO  28          1HG       PRO  28  19.951   8.833   6.125
  238   2HG   PRO  28          2HG       PRO  28  21.365   8.042   6.939
  239   1HD   PRO  28          1HD       PRO  28  18.926   6.747   6.614
  240   2HD   PRO  28          2HD       PRO  28  19.937   6.512   8.117
  241    H    GLY  29           H        GLY  29  16.214  10.015   9.111
  242   1HA   GLY  29          1HA       GLY  29  16.266  12.376   7.524
  243   2HA   GLY  29          2HA       GLY  29  14.874  11.618   8.395
  244    H    ILE  30           H        ILE  30  14.365   9.308   7.357
  245    HA   ILE  30           HA       ILE  30  14.631   9.242   4.511
  246    HB   ILE  30           HB       ILE  30  14.852   7.243   5.902
  247   1HG1  ILE  30          1HG1      ILE  30  12.444   7.015   4.010
  248   2HG1  ILE  30          2HG1      ILE  30  14.162   7.119   3.486
  249   1HG2  ILE  30          1HG2      ILE  30  13.163   7.876   7.661
  250   2HG2  ILE  30          2HG2      ILE  30  11.831   7.550   6.488
  251   3HG2  ILE  30          3HG2      ILE  30  12.913   6.218   7.030
  252   1HD1  ILE  30          1HD1      ILE  30  14.658   5.004   4.792
  253   2HD1  ILE  30          2HD1      ILE  30  12.907   4.876   5.209
  254   3HD1  ILE  30          3HD1      ILE  30  13.434   4.765   3.493
  255    H    LYS  31           H        LYS  31  12.840   9.334   3.004
  256    HA   LYS  31           HA       LYS  31  10.883  11.290   3.796
  257   1HB   LYS  31          1HB       LYS  31  11.465   9.895   1.118
  258   2HB   LYS  31          2HB       LYS  31  10.093  11.024   1.367
  259   1HG   LYS  31          1HG       LYS  31  11.804  12.258   0.301
  260   2HG   LYS  31          2HG       LYS  31  11.673  12.856   1.990
  261   1HD   LYS  31          1HD       LYS  31  13.751  11.624   2.599
  262   2HD   LYS  31          2HD       LYS  31  13.830  10.910   0.943
  263   1HE   LYS  31          1HE       LYS  31  14.159  13.207  -0.028
  264   2HE   LYS  31          2HE       LYS  31  14.023  13.931   1.627
  265   1HZ   LYS  31          1HZ       LYS  31  15.963  12.671   2.277
  266   2HZ   LYS  31          2HZ       LYS  31  16.097  11.999   0.723
  267   3HZ   LYS  31          3HZ       LYS  31  16.293  13.671   0.944
  268    H    VAL  32           H        VAL  32   8.563  10.926   3.441
  269    HA   VAL  32           HA       VAL  32   7.838   8.675   4.900
  270    HB   VAL  32           HB       VAL  32   6.851  10.832   5.249
  271   1HG1  VAL  32          1HG1      VAL  32   6.920  11.724   2.925
  272   2HG1  VAL  32          2HG1      VAL  32   5.627  10.568   2.426
  273   3HG1  VAL  32          3HG1      VAL  32   5.279  11.860   3.628
  274   1HG2  VAL  32          1HG2      VAL  32   5.557   8.792   5.877
  275   2HG2  VAL  32          2HG2      VAL  32   4.485  10.171   5.428
  276   3HG2  VAL  32          3HG2      VAL  32   4.726   8.811   4.276
  277    H    THR  33           H        THR  33   7.814   9.310   1.418
  278    HA   THR  33           HA       THR  33   6.076   7.185   0.710
  279    HB   THR  33           HB       THR  33   7.316   7.529  -1.583
  280    HG1  THR  33           HG1      THR  33   8.496   9.335  -1.707
  281   1HG2  THR  33          1HG2      THR  33   5.710   9.754  -0.150
  282   2HG2  THR  33          2HG2      THR  33   5.966   9.643  -1.935
  283   3HG2  THR  33          3HG2      THR  33   5.052   8.357  -1.069
  284    H    GLU  34           H        GLU  34   9.533   7.518   1.428
  285    HA   GLU  34           HA       GLU  34  10.186   4.975   0.266
  286   1HB   GLU  34          1HB       GLU  34  11.862   6.957   1.890
  287   2HB   GLU  34          2HB       GLU  34  12.508   5.503   1.051
  288   1HG   GLU  34          1HG       GLU  34  11.139   7.919  -0.330
  289   2HG   GLU  34          2HG       GLU  34  12.910   7.636  -0.210
  290    H    VAL  35           H        VAL  35   8.709   5.872   3.183
  291    HA   VAL  35           HA       VAL  35   9.937   3.857   4.827
  292    HB   VAL  35           HB       VAL  35   7.272   5.333   5.147
  293   1HG1  VAL  35          1HG1      VAL  35   8.892   3.598   7.138
  294   2HG1  VAL  35          2HG1      VAL  35   7.428   4.562   7.535
  295   3HG1  VAL  35          3HG1      VAL  35   7.299   3.159   6.427
  296   1HG2  VAL  35          1HG2      VAL  35  10.089   5.800   6.350
  297   2HG2  VAL  35          2HG2      VAL  35   9.204   6.891   5.222
  298   3HG2  VAL  35          3HG2      VAL  35   8.584   6.640   6.883
  299    H    ALA  36           H        ALA  36   7.240   4.189   2.507
  300    HA   ALA  36           HA       ALA  36   6.114   1.629   3.053
  301   1HB   ALA  36          1HB       ALA  36   4.750   2.039   1.005
  302   2HB   ALA  36          2HB       ALA  36   5.780   3.464   0.600
  303   3HB   ALA  36          3HB       ALA  36   4.744   3.488   2.073
  304    H    LYS  37           H        LYS  37   8.883   2.753   1.280
  305    HA   LYS  37           HA       LYS  37   8.965   0.514  -0.533
  306   1HB   LYS  37          1HB       LYS  37   9.936   2.840  -1.070
  307   2HB   LYS  37          2HB       LYS  37  11.166   2.551   0.194
  308   1HG   LYS  37          1HG       LYS  37  12.241   2.036  -1.864
  309   2HG   LYS  37          2HG       LYS  37  11.854   0.440  -1.140
  310   1HD   LYS  37          1HD       LYS  37   9.688   0.504  -2.621
  311   2HD   LYS  37          2HD       LYS  37  10.411   1.933  -3.421
  312   1HE   LYS  37          1HE       LYS  37  10.832  -0.089  -4.770
  313   2HE   LYS  37          2HE       LYS  37  12.411   0.485  -4.093
  314   1HZ   LYS  37          1HZ       LYS  37  10.706  -1.674  -2.946
  315   2HZ   LYS  37          2HZ       LYS  37  12.079  -1.910  -3.921
  316   3HZ   LYS  37          3HZ       LYS  37  12.235  -1.188  -2.390
  317    H    ARG  38           H        ARG  38  10.612   1.706   2.433
  318    HA   ARG  38           HA       ARG  38  12.493  -0.360   2.529
  319   1HB   ARG  38          1HB       ARG  38  12.510   2.086   3.461
  320   2HB   ARG  38          2HB       ARG  38  11.702   1.427   4.911
  321   1HG   ARG  38          1HG       ARG  38  14.405   0.482   3.732
  322   2HG   ARG  38          2HG       ARG  38  14.237   1.791   4.950
  323   1HD   ARG  38          1HD       ARG  38  13.315   0.199   6.627
  324   2HD   ARG  38          2HD       ARG  38  13.461  -1.170   5.462
  325    HE   ARG  38           HE       ARG  38  15.656   0.236   6.883
  326   1HH1  ARG  38          1HH1      ARG  38  14.818  -1.983   4.192
  327   2HH1  ARG  38          2HH1      ARG  38  16.419  -2.604   4.029
  328   1HH2  ARG  38          1HH2      ARG  38  17.811  -0.617   6.641
  329   2HH2  ARG  38          2HH2      ARG  38  18.148  -1.816   5.450
  330    H    GLY  39           H        GLY  39   9.360   0.224   4.183
  331   1HA   GLY  39          1HA       GLY  39   8.273  -0.839   5.740
  332   2HA   GLY  39          2HA       GLY  39   9.736  -1.823   6.098
  333    H    GLY  40           H        GLY  40   9.067  -2.171   2.814
  334   1HA   GLY  40          1HA       GLY  40   8.110  -3.732   1.592
  335   2HA   GLY  40          2HA       GLY  40   7.024  -4.155   2.971
  336    H    GLU  41           H        GLU  41  10.527  -4.050   3.320
  337    HA   GLU  41           HA       GLU  41  11.003  -6.792   2.781
  338   1HB   GLU  41          1HB       GLU  41  12.702  -4.757   4.351
  339   2HB   GLU  41          2HB       GLU  41  13.274  -6.332   3.700
  340   1HG   GLU  41          1HG       GLU  41  12.332  -3.882   2.058
  341   2HG   GLU  41          2HG       GLU  41  14.024  -4.455   2.268
  342    H    LEU  42           H        LEU  42  10.294  -4.816   5.657
  343    HA   LEU  42           HA       LEU  42  10.897  -6.887   7.525
  344   1HB   LEU  42          1HB       LEU  42   9.353  -4.248   7.778
  345   2HB   LEU  42          2HB       LEU  42   9.755  -5.305   9.174
  346    HG   LEU  42           HG       LEU  42  11.832  -3.985   7.325
  347   1HD1  LEU  42          1HD1      LEU  42  10.562  -2.254   8.559
  348   2HD1  LEU  42          2HD1      LEU  42  10.860  -3.111  10.119
  349   3HD1  LEU  42          3HD1      LEU  42  12.239  -2.392   9.204
  350   1HD2  LEU  42          1HD2      LEU  42  12.158  -5.443  10.031
  351   2HD2  LEU  42          2HD2      LEU  42  12.723  -6.037   8.424
  352   3HD2  LEU  42          3HD2      LEU  42  13.460  -4.565   9.147
  353    H    TRP  43           H        TRP  43   8.070  -5.852   5.665
  354    HA   TRP  43           HA       TRP  43   6.152  -7.116   7.315
  355   1HB   TRP  43          1HB       TRP  43   5.604  -5.194   5.876
  356   2HB   TRP  43          2HB       TRP  43   6.019  -6.146   4.414
  357    HD1  TRP  43           HD1      TRP  43   3.930  -7.130   3.254
  358    HE1  TRP  43           HE1      TRP  43   1.473  -7.578   3.880
  359    HE3  TRP  43           HE3      TRP  43   4.249  -6.153   8.241
  360    HZ2  TRP  43           HZ2      TRP  43  -0.138  -7.495   6.242
  361    HZ3  TRP  43           HZ3      TRP  43   2.246  -6.440   9.654
  362    HH2  TRP  43           HH2      TRP  43   0.071  -7.062   8.666
  363    H    ARG  44           H        ARG  44   8.241  -8.154   4.645
  364    HA   ARG  44           HA       ARG  44   6.863 -10.533   3.990
  365   1HB   ARG  44          1HB       ARG  44   9.781  -9.631   3.706
  366   2HB   ARG  44          2HB       ARG  44   9.222 -11.243   3.137
  367   1HG   ARG  44          1HG       ARG  44   7.730 -10.310   1.526
  368   2HG   ARG  44          2HG       ARG  44   7.916  -8.641   2.159
  369   1HD   ARG  44          1HD       ARG  44  10.253  -8.506   1.394
  370   2HD   ARG  44          2HD       ARG  44  10.260 -10.273   0.993
  371    HE   ARG  44           HE       ARG  44   8.355  -8.337  -0.364
  372   1HH1  ARG  44          1HH1      ARG  44  10.993 -10.755  -0.634
  373   2HH1  ARG  44          2HH1      ARG  44  10.842 -10.929  -2.341
  374   1HH2  ARG  44          1HH2      ARG  44   8.171  -8.592  -2.674
  375   2HH2  ARG  44          2HH2      ARG  44   9.221  -9.666  -3.522
  376    H    ALA  45           H        ALA  45   9.493  -9.699   6.307
  377    HA   ALA  45           HA       ALA  45   9.619 -12.451   7.237
  378   1HB   ALA  45          1HB       ALA  45  11.596 -11.668   8.530
  379   2HB   ALA  45          2HB       ALA  45  11.247  -9.963   8.037
  380   3HB   ALA  45          3HB       ALA  45  11.743 -11.180   6.805
  381    H    MET  46           H        MET  46   7.219 -10.571   7.753
  382    HA   MET  46           HA       MET  46   7.412 -10.030  10.578
  383   1HB   MET  46          1HB       MET  46   6.264  -8.568   8.816
  384   2HB   MET  46          2HB       MET  46   4.935  -9.757   8.773
  385   1HG   MET  46          1HG       MET  46   5.945  -8.228  11.269
  386   2HG   MET  46          2HG       MET  46   4.636  -7.660  10.193
  387   1HE   MET  46          1HE       MET  46   3.005  -7.261  11.953
  388   2HE   MET  46          2HE       MET  46   2.558  -8.386  13.284
  389   3HE   MET  46          3HE       MET  46   4.223  -7.708  13.198
  390    H    LYS  47           H        LYS  47   5.419 -12.025   8.353
  391    HA   LYS  47           HA       LYS  47   4.807 -14.060   8.389
  392   1HB   LYS  47          1HB       LYS  47   6.902 -14.635   9.666
  393   2HB   LYS  47          2HB       LYS  47   5.936 -14.591  11.174
  394   1HG   LYS  47          1HG       LYS  47   4.429 -16.393  10.207
  395   2HG   LYS  47          2HG       LYS  47   5.461 -16.408   8.732
  396   1HD   LYS  47          1HD       LYS  47   7.450 -17.018  10.232
  397   2HD   LYS  47          2HD       LYS  47   6.311 -17.092  11.619
  398   1HE   LYS  47          1HE       LYS  47   6.733 -19.379  10.792
  399   2HE   LYS  47          2HE       LYS  47   5.017 -18.935  10.423
  400   1HZ   LYS  47          1HZ       LYS  47   7.312 -18.825   8.531
  401   2HZ   LYS  47          2HZ       LYS  47   6.099 -20.012   8.582
  402   3HZ   LYS  47          3HZ       LYS  47   5.704 -18.411   8.176
  403    H    ASP  48           H        ASP  48   4.327 -13.202  11.881
  404    HA   ASP  48           HA       ASP  48   1.652 -14.287  11.732
  405   1HB   ASP  48          1HB       ASP  48   3.266 -13.126  14.091
  406   2HB   ASP  48          2HB       ASP  48   1.598 -13.802  14.215
  407    H    LYS  49           H        LYS  49   0.876 -12.683  10.220
  408    HA   LYS  49           HA       LYS  49   0.853  -9.904  11.010
  409   1HB   LYS  49          1HB       LYS  49  -0.115 -11.427   8.521
  410   2HB   LYS  49          2HB       LYS  49  -0.111  -9.635   8.666
  411   1HG   LYS  49          1HG       LYS  49   2.303  -9.544   8.807
  412   2HG   LYS  49          2HG       LYS  49   2.462 -11.324   8.916
  413   1HD   LYS  49          1HD       LYS  49   1.266  -9.888   6.476
  414   2HD   LYS  49          2HD       LYS  49   3.015 -10.271   6.663
  415   1HE   LYS  49          1HE       LYS  49   2.496 -12.718   6.809
  416   2HE   LYS  49          2HE       LYS  49   0.728 -12.368   6.629
  417   1HZ   LYS  49          1HZ       LYS  49   2.841 -11.698   4.646
  418   2HZ   LYS  49          2HZ       LYS  49   1.764 -13.010   4.568
  419   3HZ   LYS  49          3HZ       LYS  49   1.172 -11.422   4.481
  420    H    SER  50           H        SER  50  -0.965 -12.398  11.979
  421    HA   SER  50           HA       SER  50  -3.486 -12.073  11.011
  422   1HB   SER  50          1HB       SER  50  -2.487 -14.093  12.212
  423   2HB   SER  50          2HB       SER  50  -2.729 -13.219  13.766
  424    HG   SER  50           HG       SER  50  -4.639 -14.135  11.880
  425    H    GLU  51           H        GLU  51  -1.921 -10.256  13.591
  426    HA   GLU  51           HA       GLU  51  -4.153  -9.347  14.987
  427   1HB   GLU  51          1HB       GLU  51  -1.774  -9.157  15.756
  428   2HB   GLU  51          2HB       GLU  51  -1.438  -7.987  14.440
  429   1HG   GLU  51          1HG       GLU  51  -3.073  -6.361  15.476
  430   2HG   GLU  51          2HG       GLU  51  -3.409  -7.553  16.790
  431    H    TRP  52           H        TRP  52  -2.361  -8.023  12.171
  432    HA   TRP  52           HA       TRP  52  -3.978  -5.676  12.056
  433   1HB   TRP  52          1HB       TRP  52  -1.938  -6.721  10.012
  434   2HB   TRP  52          2HB       TRP  52  -2.555  -5.036  10.174
  435    HD1  TRP  52           HD1      TRP  52   0.381  -7.111  11.170
  436    HE1  TRP  52           HE1      TRP  52   1.755  -5.924  12.981
  437    HE3  TRP  52           HE3      TRP  52  -3.060  -3.617  12.580
  438    HZ2  TRP  52           HZ2      TRP  52   1.463  -3.674  14.712
  439    HZ3  TRP  52           HZ3      TRP  52  -2.457  -1.962  14.312
  440    HH2  TRP  52           HH2      TRP  52  -0.223  -1.986  15.361
  441    H    GLU  53           H        GLU  53  -3.848  -8.847  10.458
  442    HA   GLU  53           HA       GLU  53  -5.444  -8.156   8.231
  443   1HB   GLU  53          1HB       GLU  53  -4.794 -10.842   9.556
  444   2HB   GLU  53          2HB       GLU  53  -5.738 -10.694   8.029
  445   1HG   GLU  53          1HG       GLU  53  -3.852  -9.653   6.855
  446   2HG   GLU  53          2HG       GLU  53  -2.859  -9.624   8.353
  447    H    ALA  54           H        ALA  54  -6.141  -9.319  11.542
  448    HA   ALA  54           HA       ALA  54  -8.845  -9.957  11.059
  449   1HB   ALA  54          1HB       ALA  54  -7.600 -10.864  13.030
  450   2HB   ALA  54          2HB       ALA  54  -9.052  -9.946  13.566
  451   3HB   ALA  54          3HB       ALA  54  -7.410  -9.199  13.683
  452    H    LYS  55           H        LYS  55  -7.104  -7.024  12.141
  453    HA   LYS  55           HA       LYS  55  -9.411  -5.589  12.862
  454   1HB   LYS  55          1HB       LYS  55  -7.047  -5.154  13.726
  455   2HB   LYS  55          2HB       LYS  55  -6.605  -4.602  12.088
  456   1HG   LYS  55          1HG       LYS  55  -6.886  -2.627  13.226
  457   2HG   LYS  55          2HG       LYS  55  -8.473  -2.752  12.411
  458   1HD   LYS  55          1HD       LYS  55  -7.878  -3.567  15.339
  459   2HD   LYS  55          2HD       LYS  55  -8.442  -1.942  14.821
  460   1HE   LYS  55          1HE       LYS  55 -10.574  -2.960  13.920
  461   2HE   LYS  55          2HE       LYS  55 -10.051  -4.571  14.561
  462   1HZ   LYS  55          1HZ       LYS  55 -10.472  -2.109  16.167
  463   2HZ   LYS  55          2HZ       LYS  55 -11.515  -3.444  16.061
  464   3HZ   LYS  55          3HZ       LYS  55  -9.977  -3.621  16.758
  465    H    ALA  56           H        ALA  56  -7.397  -5.807   9.918
  466    HA   ALA  56           HA       ALA  56  -8.581  -3.702   8.505
  467   1HB   ALA  56          1HB       ALA  56  -7.440  -4.743   6.510
  468   2HB   ALA  56          2HB       ALA  56  -6.337  -4.633   7.926
  469   3HB   ALA  56          3HB       ALA  56  -7.092  -6.210   7.500
  470    H    ALA  57           H        ALA  57  -9.343  -7.177   8.815
  471    HA   ALA  57           HA       ALA  57 -11.047  -7.366   6.601
  472   1HB   ALA  57          1HB       ALA  57 -11.849  -9.493   7.680
  473   2HB   ALA  57          2HB       ALA  57 -10.969  -9.038   9.191
  474   3HB   ALA  57          3HB       ALA  57 -10.054  -9.382   7.681
  475    H    LYS  58           H        LYS  58 -11.641  -6.756  10.108
  476    HA   LYS  58           HA       LYS  58 -14.443  -6.658   9.872
  477   1HB   LYS  58          1HB       LYS  58 -12.545  -5.500  11.988
  478   2HB   LYS  58          2HB       LYS  58 -14.341  -5.502  12.136
  479   1HG   LYS  58          1HG       LYS  58 -14.398  -7.969  12.036
  480   2HG   LYS  58          2HG       LYS  58 -12.615  -8.037  11.829
  481   1HD   LYS  58          1HD       LYS  58 -12.308  -6.954  14.065
  482   2HD   LYS  58          2HD       LYS  58 -14.098  -6.900  14.277
  483   1HE   LYS  58          1HE       LYS  58 -14.178  -9.429  14.148
  484   2HE   LYS  58          2HE       LYS  58 -12.376  -9.464  13.976
  485   1HZ   LYS  58          1HZ       LYS  58 -13.896  -8.368  16.287
  486   2HZ   LYS  58          2HZ       LYS  58 -13.090  -9.860  16.222
  487   3HZ   LYS  58          3HZ       LYS  58 -12.205  -8.415  16.130
  488    H    ALA  59           H        ALA  59 -11.850  -4.191   9.615
  489    HA   ALA  59           HA       ALA  59 -13.492  -1.943   9.679
  490   1HB   ALA  59          1HB       ALA  59 -11.009  -1.820   9.957
  491   2HB   ALA  59          2HB       ALA  59 -11.562  -0.739   8.630
  492   3HB   ALA  59          3HB       ALA  59 -10.791  -2.325   8.244
  493    H    LYS  60           H        LYS  60 -12.734  -4.224   7.066
  494    HA   LYS  60           HA       LYS  60 -13.645  -2.551   4.958
  495   1HB   LYS  60          1HB       LYS  60 -12.025  -4.439   4.612
  496   2HB   LYS  60          2HB       LYS  60 -13.305  -5.605   5.071
  497   1HG   LYS  60          1HG       LYS  60 -14.688  -4.803   3.105
  498   2HG   LYS  60          2HG       LYS  60 -13.341  -3.705   2.640
  499   1HD   LYS  60          1HD       LYS  60 -11.833  -5.688   2.365
  500   2HD   LYS  60          2HD       LYS  60 -13.171  -6.784   2.847
  501   1HE   LYS  60          1HE       LYS  60 -13.149  -4.946   0.346
  502   2HE   LYS  60          2HE       LYS  60 -12.878  -6.736   0.358
  503   1HZ   LYS  60          1HZ       LYS  60 -15.108  -7.003   1.239
  504   2HZ   LYS  60          2HZ       LYS  60 -15.360  -5.326   1.200
  505   3HZ   LYS  60          3HZ       LYS  60 -15.116  -6.178  -0.245
  506    H    ASP  61           H        ASP  61 -15.068  -5.281   6.881
  507    HA   ASP  61           HA       ASP  61 -17.421  -5.389   5.350
  508   1HB   ASP  61          1HB       ASP  61 -16.868  -6.429   8.202
  509   2HB   ASP  61          2HB       ASP  61 -18.339  -6.816   7.230
  510    H    ASP  62           H        ASP  62 -16.593  -3.732   8.435
  511    HA   ASP  62           HA       ASP  62 -19.239  -2.920   8.978
  512   1HB   ASP  62          1HB       ASP  62 -16.543  -1.805   9.974
  513   2HB   ASP  62          2HB       ASP  62 -18.149  -1.219  10.550
  514    H    TYR  63           H        TYR  63 -16.620  -1.553   6.977
  515    HA   TYR  63           HA       TYR  63 -17.803   1.000   6.687
  516   1HB   TYR  63          1HB       TYR  63 -15.389   0.624   6.183
  517   2HB   TYR  63          2HB       TYR  63 -15.822  -0.528   4.875
  518    HD1  TYR  63           HD1      TYR  63 -16.486   3.055   5.956
  519    HD2  TYR  63           HD2      TYR  63 -15.944   0.308   2.695
  520    HE1  TYR  63           HE1      TYR  63 -16.421   4.946   4.384
  521    HE2  TYR  63           HE2      TYR  63 -15.916   2.194   1.108
  522    HH   TYR  63           HH       TYR  63 -15.996   4.443   0.852
  523    H    ASP  64           H        ASP  64 -17.760  -1.970   4.629
  524    HA   ASP  64           HA       ASP  64 -19.065  -0.970   2.476
  525   1HB   ASP  64          1HB       ASP  64 -17.750  -3.154   2.721
  526   2HB   ASP  64          2HB       ASP  64 -19.208  -3.899   3.450
  527    H    ARG  65           H        ARG  65 -20.493  -2.627   5.334
  528    HA   ARG  65           HA       ARG  65 -23.113  -2.633   4.250
  529   1HB   ARG  65          1HB       ARG  65 -22.282  -4.317   5.880
  530   2HB   ARG  65          2HB       ARG  65 -22.144  -3.047   7.138
  531   1HG   ARG  65          1HG       ARG  65 -24.572  -2.705   7.140
  532   2HG   ARG  65          2HG       ARG  65 -24.786  -3.760   5.711
  533   1HD   ARG  65          1HD       ARG  65 -23.384  -5.155   8.003
  534   2HD   ARG  65          2HD       ARG  65 -25.001  -4.497   8.450
  535    HE   ARG  65           HE       ARG  65 -26.068  -5.956   6.976
  536   1HH1  ARG  65          1HH1      ARG  65 -22.524  -6.270   6.503
  537   2HH1  ARG  65          2HH1      ARG  65 -22.646  -7.717   5.574
  538   1HH2  ARG  65          1HH2      ARG  65 -26.200  -7.912   5.724
  539   2HH2  ARG  65          2HH2      ARG  65 -24.772  -8.666   5.124
  540    H    ALA  66           H        ALA  66 -21.322  -0.537   6.589
  541    HA   ALA  66           HA       ALA  66 -23.628   0.772   7.483
  542   1HB   ALA  66          1HB       ALA  66 -20.701   1.672   7.688
  543   2HB   ALA  66          2HB       ALA  66 -21.579   0.641   8.877
  544   3HB   ALA  66          3HB       ALA  66 -22.082   2.350   8.635
  545    H    VAL  67           H        VAL  67 -21.455   1.501   4.712
  546    HA   VAL  67           HA       VAL  67 -22.215   4.222   4.605
  547    HB   VAL  67           HB       VAL  67 -21.311   4.270   2.296
  548   1HG1  VAL  67          1HG1      VAL  67 -19.981   4.823   4.306
  549   2HG1  VAL  67          2HG1      VAL  67 -19.515   3.097   4.519
  550   3HG1  VAL  67          3HG1      VAL  67 -18.974   4.004   3.060
  551   1HG2  VAL  67          1HG2      VAL  67 -21.800   1.905   1.610
  552   2HG2  VAL  67          2HG2      VAL  67 -20.050   2.287   1.470
  553   3HG2  VAL  67          3HG2      VAL  67 -20.641   1.294   2.845
  554    H    LYS  68           H        LYS  68 -23.786   1.274   3.529
  555    HA   LYS  68           HA       LYS  68 -25.403   2.535   1.549
  556   1HB   LYS  68          1HB       LYS  68 -25.769  -0.127   3.042
  557   2HB   LYS  68          2HB       LYS  68 -26.716   0.409   1.606
  558   1HG   LYS  68          1HG       LYS  68 -24.601   0.519   0.261
  559   2HG   LYS  68          2HG       LYS  68 -23.667  -0.069   1.679
  560   1HD   LYS  68          1HD       LYS  68 -24.986  -2.191   1.682
  561   2HD   LYS  68          2HD       LYS  68 -25.921  -1.606   0.255
  562   1HE   LYS  68          1HE       LYS  68 -23.783  -1.497  -1.093
  563   2HE   LYS  68          2HE       LYS  68 -22.859  -2.113   0.337
  564   1HZ   LYS  68          1HZ       LYS  68 -25.057  -3.540  -1.070
  565   2HZ   LYS  68          2HZ       LYS  68 -23.392  -3.839  -1.225
  566   3HZ   LYS  68          3HZ       LYS  68 -24.166  -4.118   0.258
  567    H    GLU  69           H        GLU  69 -25.575   1.934   5.042
  568    HA   GLU  69           HA       GLU  69 -28.337   2.634   5.293
  569   1HB   GLU  69          1HB       GLU  69 -26.102   2.409   7.397
  570   2HB   GLU  69          2HB       GLU  69 -27.865   2.531   7.743
  571   1HG   GLU  69          1HG       GLU  69 -28.256   0.332   6.618
  572   2HG   GLU  69          2HG       GLU  69 -26.508   0.216   6.193
  573    H    PHE  70           H        PHE  70 -25.161   4.190   5.593
  574    HA   PHE  70           HA       PHE  70 -25.927   6.522   6.907
  575   1HB   PHE  70          1HB       PHE  70 -23.584   5.602   6.807
  576   2HB   PHE  70          2HB       PHE  70 -23.552   5.885   5.036
  577    HD1  PHE  70           HD1      PHE  70 -24.513   8.042   8.042
  578    HD2  PHE  70           HD2      PHE  70 -22.024   7.527   4.569
  579    HE1  PHE  70           HE1      PHE  70 -23.451  10.230   8.470
  580    HE2  PHE  70           HE2      PHE  70 -20.957   9.710   5.012
  581    HZ   PHE  70           HZ       PHE  70 -21.665  11.066   6.966
  582    H    GLU  71           H        GLU  71 -25.260   5.831   3.412
  583    HA   GLU  71           HA       GLU  71 -26.051   8.483   2.656
  584   1HB   GLU  71          1HB       GLU  71 -25.196   6.059   0.984
  585   2HB   GLU  71          2HB       GLU  71 -25.418   7.734   0.356
  586   1HG   GLU  71          1HG       GLU  71 -23.592   8.567   1.833
  587   2HG   GLU  71          2HG       GLU  71 -23.346   6.912   2.504
  588    H    ALA  72           H        ALA  72 -27.967   6.021   3.604
  589    HA   ALA  72           HA       ALA  72 -29.904   6.095   1.465
  590   1HB   ALA  72          1HB       ALA  72 -31.394   4.899   3.085
  591   2HB   ALA  72          2HB       ALA  72 -30.159   5.122   4.382
  592   3HB   ALA  72          3HB       ALA  72 -29.801   4.081   2.959
  593    H    ASN  73           H        ASN  73 -29.004   7.878   4.368
  594    HA   ASN  73           HA       ASN  73 -31.530   9.298   4.522
  595   1HB   ASN  73          1HB       ASN  73 -28.904   9.685   6.099
  596   2HB   ASN  73          2HB       ASN  73 -30.469  10.507   6.448
  597   2HD2  ASN  73          2HD2      ASN  73 -28.562   7.669   7.052
  598   1HD2  ASN  73          1HD2      ASN  73 -29.762   6.744   7.889
  599    H    GLY  74           H        GLY  74 -31.155  11.852   4.827
  600   1HA   GLY  74          1HA       GLY  74 -30.565  12.904   2.416
  601   2HA   GLY  74          2HA       GLY  74 -29.057  13.031   3.427

  No H/Q in entry =         601
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1 -21.340  14.433  -1.112
    2    H2   MET   1           H2       MET   1 -22.203  14.575  -2.565
    3    H3   MET   1           H3       MET   1 -22.996  14.052  -1.147
    4    HA   MET   1           HA       MET   1 -21.704  12.074  -1.100
    5   1HB   MET   1          1HB       MET   1 -23.829  12.114  -2.482
    6   2HB   MET   1          2HB       MET   1 -22.862  12.579  -3.923
    7   1HG   MET   1          1HG       MET   1 -21.611  10.383  -3.732
    8   2HG   MET   1          2HG       MET   1 -22.631   9.957  -2.321
    9   1HE   MET   1          1HE       MET   1 -22.128   8.169  -4.829
   10   2HE   MET   1          2HE       MET   1 -23.186   7.686  -3.457
   11   3HE   MET   1          3HE       MET   1 -23.767   7.505  -5.147
   12    H    SER   2           H        SER   2 -19.635  11.282  -1.363
   13    HA   SER   2           HA       SER   2 -17.976  12.511  -3.468
   14   1HB   SER   2          1HB       SER   2 -17.212  11.614  -0.616
   15   2HB   SER   2          2HB       SER   2 -16.049  12.148  -1.886
   16    HG   SER   2           HG       SER   2 -16.487  13.859  -0.651
   17    H    ASP   3           H        ASP   3 -17.809  11.000  -5.006
   18    HA   ASP   3           HA       ASP   3 -17.456   9.192  -6.071
   19   1HB   ASP   3          1HB       ASP   3 -15.184   9.650  -5.000
   20   2HB   ASP   3          2HB       ASP   3 -15.536   8.340  -3.829
   21    H    LYS   4           H        LYS   4 -16.632   6.562  -4.297
   22    HA   LYS   4           HA       LYS   4 -18.978   6.073  -2.843
   23   1HB   LYS   4          1HB       LYS   4 -19.855   5.528  -5.137
   24   2HB   LYS   4          2HB       LYS   4 -18.549   4.326  -5.354
   25   1HG   LYS   4          1HG       LYS   4 -19.443   2.923  -3.561
   26   2HG   LYS   4          2HG       LYS   4 -20.580   4.207  -3.030
   27   1HD   LYS   4          1HD       LYS   4 -20.719   2.820  -5.776
   28   2HD   LYS   4          2HD       LYS   4 -21.639   2.308  -4.316
   29   1HE   LYS   4          1HE       LYS   4 -22.766   4.564  -4.217
   30   2HE   LYS   4          2HE       LYS   4 -21.900   5.058  -5.726
   31   1HZ   LYS   4          1HZ       LYS   4 -22.972   3.234  -6.869
   32   2HZ   LYS   4          2HZ       LYS   4 -23.800   2.789  -5.454
   33   3HZ   LYS   4          3HZ       LYS   4 -24.102   4.294  -6.177
   34    HA   PRO   5           HA       PRO   5 -15.147   4.259  -1.465
   35   1HB   PRO   5          1HB       PRO   5 -15.861   3.236   1.042
   36   2HB   PRO   5          2HB       PRO   5 -15.795   5.008   0.703
   37   1HG   PRO   5          1HG       PRO   5 -18.266   3.189   0.609
   38   2HG   PRO   5          2HG       PRO   5 -18.074   4.767   1.485
   39   1HD   PRO   5          1HD       PRO   5 -19.226   4.612  -1.030
   40   2HD   PRO   5          2HD       PRO   5 -18.140   6.010  -0.589
   41    H    LYS   6           H        LYS   6 -14.068   2.155  -1.098
   42    HA   LYS   6           HA       LYS   6 -15.750  -0.159  -1.795
   43   1HB   LYS   6          1HB       LYS   6 -12.757   0.169  -2.376
   44   2HB   LYS   6          2HB       LYS   6 -13.833  -1.165  -2.924
   45   1HG   LYS   6          1HG       LYS   6 -13.938   1.787  -3.810
   46   2HG   LYS   6          2HG       LYS   6 -13.259   0.421  -4.745
   47   1HD   LYS   6          1HD       LYS   6 -15.497  -0.601  -4.975
   48   2HD   LYS   6          2HD       LYS   6 -16.218   0.674  -3.926
   49   1HE   LYS   6          1HE       LYS   6 -15.525   2.444  -5.587
   50   2HE   LYS   6          2HE       LYS   6 -14.887   1.149  -6.679
   51   1HZ   LYS   6          1HZ       LYS   6 -17.695   1.437  -5.737
   52   2HZ   LYS   6          2HZ       LYS   6 -17.094   1.848  -7.272
   53   3HZ   LYS   6          3HZ       LYS   6 -17.106   0.224  -6.773
   54    H    ARG   7           H        ARG   7 -13.808  -2.114  -1.108
   55    HA   ARG   7           HA       ARG   7 -14.450  -2.152   1.629
   56   1HB   ARG   7          1HB       ARG   7 -12.849  -4.128  -0.062
   57   2HB   ARG   7          2HB       ARG   7 -13.382  -4.409   1.636
   58   1HG   ARG   7          1HG       ARG   7 -15.750  -4.181   0.968
   59   2HG   ARG   7          2HG       ARG   7 -15.268  -3.903  -0.745
   60   1HD   ARG   7          1HD       ARG   7 -14.288  -6.179  -0.901
   61   2HD   ARG   7          2HD       ARG   7 -14.583  -6.457   0.861
   62    HE   ARG   7           HE       ARG   7 -16.791  -5.940  -1.173
   63   1HH1  ARG   7          1HH1      ARG   7 -15.547  -7.827   1.614
   64   2HH1  ARG   7          2HH1      ARG   7 -17.003  -8.733   1.816
   65   1HH2  ARG   7          1HH2      ARG   7 -18.739  -7.179  -0.875
   66   2HH2  ARG   7          2HH2      ARG   7 -18.842  -8.359   0.376
   67    HA   PRO   8           HA       PRO   8 -10.256  -0.670   2.657
   68   1HB   PRO   8          1HB       PRO   8 -10.613  -0.040   5.303
   69   2HB   PRO   8          2HB       PRO   8 -11.370   0.912   3.974
   70   1HG   PRO   8          1HG       PRO   8 -12.688  -1.264   5.678
   71   2HG   PRO   8          2HG       PRO   8 -13.327   0.376   5.250
   72   1HD   PRO   8          1HD       PRO   8 -13.949  -1.996   3.856
   73   2HD   PRO   8          2HD       PRO   8 -13.939  -0.348   3.079
   74    H    LEU   9           H        LEU   9  -8.999  -2.692   2.390
   75    HA   LEU   9           HA       LEU   9  -8.229  -3.574   4.984
   76   1HB   LEU   9          1HB       LEU   9  -8.148  -6.010   4.480
   77   2HB   LEU   9          2HB       LEU   9  -9.786  -5.384   4.797
   78    HG   LEU   9           HG       LEU   9  -8.868  -5.625   1.900
   79   1HD1  LEU   9          1HD1      LEU   9  -8.168  -7.779   2.901
   80   2HD1  LEU   9          2HD1      LEU   9  -9.810  -8.008   3.613
   81   3HD1  LEU   9          3HD1      LEU   9  -9.593  -8.003   1.821
   82   1HD2  LEU   9          1HD2      LEU   9 -11.105  -4.610   2.378
   83   2HD2  LEU   9          2HD2      LEU   9 -11.277  -6.186   1.529
   84   3HD2  LEU   9          3HD2      LEU   9 -11.586  -6.077   3.303
   85    H    SER  10           H        SER  10  -6.103  -3.754   5.082
   86    HA   SER  10           HA       SER  10  -4.570  -4.914   3.066
   87   1HB   SER  10          1HB       SER  10  -4.651  -2.587   2.019
   88   2HB   SER  10          2HB       SER  10  -4.080  -1.890   3.575
   89    HG   SER  10           HG       SER  10  -2.455  -2.240   1.992
   90    H    ALA  11           H        ALA  11  -3.132  -6.029   4.389
   91    HA   ALA  11           HA       ALA  11  -3.300  -5.509   7.196
   92   1HB   ALA  11          1HB       ALA  11  -3.314  -7.848   6.322
   93   2HB   ALA  11          2HB       ALA  11  -1.917  -7.582   7.422
   94   3HB   ALA  11          3HB       ALA  11  -1.668  -7.605   5.634
   95    H    TYR  12           H        TYR  12  -0.967  -4.991   4.595
   96    HA   TYR  12           HA       TYR  12   1.318  -4.632   6.185
   97   1HB   TYR  12          1HB       TYR  12   1.411  -5.217   3.747
   98   2HB   TYR  12          2HB       TYR  12   0.606  -3.662   3.338
   99    HD1  TYR  12           HD1      TYR  12   3.440  -4.071   5.853
  100    HD2  TYR  12           HD2      TYR  12   2.262  -2.810   1.906
  101    HE1  TYR  12           HE1      TYR  12   5.635  -3.037   5.529
  102    HE2  TYR  12           HE2      TYR  12   4.463  -1.757   1.592
  103    HH   TYR  12           HH       TYR  12   6.498  -1.330   2.488
  104    H    MET  13           H        MET  13  -1.227  -2.465   4.909
  105    HA   MET  13           HA       MET  13   0.154  -0.101   5.327
  106   1HB   MET  13          1HB       MET  13  -1.974  -0.711   3.868
  107   2HB   MET  13          2HB       MET  13  -2.903  -0.276   5.325
  108   1HG   MET  13          1HG       MET  13  -2.810   1.657   3.900
  109   2HG   MET  13          2HG       MET  13  -1.740   2.001   5.290
  110   1HE   MET  13          1HE       MET  13  -2.188   1.324   1.506
  111   2HE   MET  13          2HE       MET  13  -0.531   1.111   0.853
  112   3HE   MET  13          3HE       MET  13  -1.254  -0.169   1.878
  113    H    LEU  14           H        LEU  14  -1.934  -2.015   7.462
  114    HA   LEU  14           HA       LEU  14  -2.390   0.037   9.362
  115   1HB   LEU  14          1HB       LEU  14  -2.593  -3.011   9.635
  116   2HB   LEU  14          2HB       LEU  14  -3.223  -1.818  10.826
  117    HG   LEU  14           HG       LEU  14  -4.166  -2.081   7.912
  118   1HD1  LEU  14          1HD1      LEU  14  -4.747  -4.092   9.244
  119   2HD1  LEU  14          2HD1      LEU  14  -5.521  -3.058  10.504
  120   3HD1  LEU  14          3HD1      LEU  14  -6.217  -3.133   8.841
  121   1HD2  LEU  14          1HD2      LEU  14  -5.325  -0.402  10.223
  122   2HD2  LEU  14          2HD2      LEU  14  -4.517   0.227   8.736
  123   3HD2  LEU  14          3HD2      LEU  14  -6.084  -0.641   8.605
  124    H    TRP  15           H        TRP  15   0.110  -2.440   8.864
  125    HA   TRP  15           HA       TRP  15   1.224  -2.230  11.464
  126   1HB   TRP  15          1HB       TRP  15   1.519  -4.259  10.078
  127   2HB   TRP  15          2HB       TRP  15   2.380  -3.306   8.827
  128    HD1  TRP  15           HD1      TRP  15   2.970  -4.660  12.488
  129    HE1  TRP  15           HE1      TRP  15   5.491  -4.688  12.914
  130    HE3  TRP  15           HE3      TRP  15   4.481  -2.373   8.184
  131    HZ2  TRP  15           HZ2      TRP  15   7.862  -3.797  11.585
  132    HZ3  TRP  15           HZ3      TRP  15   6.891  -1.945   7.832
  133    HH2  TRP  15           HH2      TRP  15   8.558  -2.641   9.507
  134    H    LEU  16           H        LEU  16   1.649  -0.502   8.361
  135    HA   LEU  16           HA       LEU  16   4.168   0.562   8.924
  136   1HB   LEU  16          1HB       LEU  16   1.915   1.506   7.067
  137   2HB   LEU  16          2HB       LEU  16   3.494   2.357   7.159
  138    HG   LEU  16           HG       LEU  16   3.184  -0.597   6.389
  139   1HD1  LEU  16          1HD1      LEU  16   2.128   0.904   4.697
  140   2HD1  LEU  16          2HD1      LEU  16   3.649   1.870   4.596
  141   3HD1  LEU  16          3HD1      LEU  16   3.635   0.147   4.061
  142   1HD2  LEU  16          1HD2      LEU  16   5.594   1.318   6.333
  143   2HD2  LEU  16          2HD2      LEU  16   5.414  -0.151   7.356
  144   3HD2  LEU  16          3HD2      LEU  16   5.567  -0.316   5.573
  145    H    ASN  17           H        ASN  17   0.872   1.851   9.650
  146    HA   ASN  17           HA       ASN  17   1.988   4.344  10.490
  147   1HB   ASN  17          1HB       ASN  17  -0.269   4.964  11.283
  148   2HB   ASN  17          2HB       ASN  17  -0.224   4.452   9.569
  149   2HD2  ASN  17          2HD2      ASN  17  -1.739   2.955   8.924
  150   1HD2  ASN  17          1HD2      ASN  17  -2.695   1.973   9.985
  151    H    SER  18           H        SER  18   1.421   1.239  12.004
  152    HA   SER  18           HA       SER  18   1.331   2.240  14.668
  153   1HB   SER  18          1HB       SER  18   0.242   0.068  13.922
  154   2HB   SER  18          2HB       SER  18   1.878  -0.625  13.656
  155    HG   SER  18           HG       SER  18   0.650   0.236  16.060
  156    H    ALA  19           H        ALA  19   3.768   0.495  12.629
  157    HA   ALA  19           HA       ALA  19   5.796   0.858  14.664
  158   1HB   ALA  19          1HB       ALA  19   5.543  -1.352  13.489
  159   2HB   ALA  19          2HB       ALA  19   5.898  -0.545  11.923
  160   3HB   ALA  19          3HB       ALA  19   7.165  -0.631  13.208
  161    H    ARG  20           H        ARG  20   4.718   3.253  13.131
  162    HA   ARG  20           HA       ARG  20   6.643   3.948  11.186
  163   1HB   ARG  20          1HB       ARG  20   4.238   4.830  11.389
  164   2HB   ARG  20          2HB       ARG  20   4.804   5.875  12.726
  165   1HG   ARG  20          1HG       ARG  20   6.390   7.018  11.136
  166   2HG   ARG  20          2HG       ARG  20   5.971   5.818   9.871
  167   1HD   ARG  20          1HD       ARG  20   4.797   7.845   9.318
  168   2HD   ARG  20          2HD       ARG  20   3.555   6.674   9.890
  169    HE   ARG  20           HE       ARG  20   4.553   9.156  11.246
  170   1HH1  ARG  20          1HH1      ARG  20   2.392   6.301  11.477
  171   2HH1  ARG  20          2HH1      ARG  20   1.322   7.037  12.604
  172   1HH2  ARG  20          1HH2      ARG  20   3.095  10.121  12.791
  173   2HH2  ARG  20          2HH2      ARG  20   1.736   9.236  13.372
  174    H    GLU  21           H        GLU  21   6.357   4.291  14.677
  175    HA   GLU  21           HA       GLU  21   8.244   6.343  15.034
  176   1HB   GLU  21          1HB       GLU  21   7.263   4.203  16.999
  177   2HB   GLU  21          2HB       GLU  21   8.183   5.692  17.428
  178   1HG   GLU  21          1HG       GLU  21   6.298   7.095  16.478
  179   2HG   GLU  21          2HG       GLU  21   5.347   5.588  16.187
  180    H    SER  22           H        SER  22   8.524   2.862  14.506
  181    HA   SER  22           HA       SER  22  11.169   2.662  15.595
  182   1HB   SER  22          1HB       SER  22   9.643   0.778  13.682
  183   2HB   SER  22          2HB       SER  22  11.172   0.391  14.561
  184    HG   SER  22           HG       SER  22   9.322  -0.392  15.595
  185    H    ILE  23           H        ILE  23   9.616   2.862  12.372
  186    HA   ILE  23           HA       ILE  23  11.880   2.461  10.848
  187    HB   ILE  23           HB       ILE  23   9.174   3.727  10.257
  188   1HG1  ILE  23          1HG1      ILE  23  10.317   0.943   9.564
  189   2HG1  ILE  23          2HG1      ILE  23   9.308   1.265  11.002
  190   1HG2  ILE  23          1HG2      ILE  23  11.356   2.853   8.240
  191   2HG2  ILE  23          2HG2      ILE  23   9.679   3.352   7.820
  192   3HG2  ILE  23          3HG2      ILE  23  10.794   4.545   8.537
  193   1HD1  ILE  23          1HD1      ILE  23   7.424   2.053   9.512
  194   2HD1  ILE  23          2HD1      ILE  23   8.409   1.603   8.068
  195   3HD1  ILE  23          3HD1      ILE  23   7.890   0.336   9.234
  196    H    LYS  24           H        LYS  24  10.465   5.509  12.145
  197    HA   LYS  24           HA       LYS  24  11.995   7.156  10.429
  198   1HB   LYS  24          1HB       LYS  24  11.169   9.049  11.726
  199   2HB   LYS  24          2HB       LYS  24   9.840   7.903  11.357
  200   1HG   LYS  24          1HG       LYS  24   9.978   6.979  13.683
  201   2HG   LYS  24          2HG       LYS  24  11.352   8.071  14.048
  202   1HD   LYS  24          1HD       LYS  24   9.392   9.006  15.036
  203   2HD   LYS  24          2HD       LYS  24   9.905  10.064  13.674
  204   1HE   LYS  24          1HE       LYS  24   8.061   9.122  12.238
  205   2HE   LYS  24          2HE       LYS  24   7.591   7.994  13.573
  206   1HZ   LYS  24          1HZ       LYS  24   7.121   9.911  14.946
  207   2HZ   LYS  24          2HZ       LYS  24   7.547  10.965  13.685
  208   3HZ   LYS  24          3HZ       LYS  24   6.209   9.933  13.515
  209    H    ARG  25           H        ARG  25  12.906   5.430  13.286
  210    HA   ARG  25           HA       ARG  25  14.936   7.376  14.055
  211   1HB   ARG  25          1HB       ARG  25  14.264   4.591  15.167
  212   2HB   ARG  25          2HB       ARG  25  15.509   5.710  15.833
  213   1HG   ARG  25          1HG       ARG  25  13.731   7.401  16.335
  214   2HG   ARG  25          2HG       ARG  25  12.502   6.320  15.617
  215   1HD   ARG  25          1HD       ARG  25  12.326   6.035  18.028
  216   2HD   ARG  25          2HD       ARG  25  13.104   4.545  17.375
  217    HE   ARG  25           HE       ARG  25  15.153   5.152  18.386
  218   1HH1  ARG  25          1HH1      ARG  25  12.798   7.831  18.759
  219   2HH1  ARG  25          2HH1      ARG  25  13.734   8.675  19.935
  220   1HH2  ARG  25          1HH2      ARG  25  16.413   6.324  19.975
  221   2HH2  ARG  25          2HH2      ARG  25  15.825   7.804  20.634
  222    H    GLU  26           H        GLU  26  14.488   4.242  12.422
  223    HA   GLU  26           HA       GLU  26  17.252   3.599  12.299
  224   1HB   GLU  26          1HB       GLU  26  14.799   2.544  10.773
  225   2HB   GLU  26          2HB       GLU  26  16.443   1.811  10.679
  226   1HG   GLU  26          1HG       GLU  26  16.397   1.235  13.073
  227   2HG   GLU  26          2HG       GLU  26  14.827   2.084  13.305
  228    H    ASN  27           H        ASN  27  14.785   4.816   9.955
  229    HA   ASN  27           HA       ASN  27  16.874   5.292   7.983
  230   1HB   ASN  27          1HB       ASN  27  13.803   5.541   7.826
  231   2HB   ASN  27          2HB       ASN  27  14.928   5.879   6.462
  232   2HD2  ASN  27          2HD2      ASN  27  13.587   3.299   8.577
  233   1HD2  ASN  27          1HD2      ASN  27  13.990   1.981   7.524
  234    HA   PRO  28           HA       PRO  28  16.775   9.461   9.416
  235   1HB   PRO  28          1HB       PRO  28  18.069  10.849   7.422
  236   2HB   PRO  28          2HB       PRO  28  18.862   9.518   8.338
  237   1HG   PRO  28          1HG       PRO  28  17.484   9.297   5.606
  238   2HG   PRO  28          2HG       PRO  28  19.157   8.761   6.059
  239   1HD   PRO  28          1HD       PRO  28  16.977   7.032   6.091
  240   2HD   PRO  28          2HD       PRO  28  18.308   6.912   7.334
  241    H    GLY  29           H        GLY  29  14.238   9.436   9.254
  242   1HA   GLY  29          1HA       GLY  29  13.537  11.933   8.147
  243   2HA   GLY  29          2HA       GLY  29  12.475  10.727   8.973
  244    H    ILE  30           H        ILE  30  12.135   8.654   7.556
  245    HA   ILE  30           HA       ILE  30  12.174   9.184   4.717
  246    HB   ILE  30           HB       ILE  30  13.209   7.196   5.737
  247   1HG1  ILE  30          1HG1      ILE  30  10.908   6.491   3.841
  248   2HG1  ILE  30          2HG1      ILE  30  12.454   7.271   3.361
  249   1HG2  ILE  30          1HG2      ILE  30  11.593   6.835   7.610
  250   2HG2  ILE  30          2HG2      ILE  30  10.315   6.356   6.435
  251   3HG2  ILE  30          3HG2      ILE  30  11.792   5.353   6.622
  252   1HD1  ILE  30          1HD1      ILE  30  13.721   5.264   4.240
  253   2HD1  ILE  30          2HD1      ILE  30  12.150   4.456   4.608
  254   3HD1  ILE  30          3HD1      ILE  30  12.581   4.855   2.907
  255    H    LYS  31           H        LYS  31  10.286   9.093   3.367
  256    HA   LYS  31           HA       LYS  31   7.784   9.601   4.818
  257   1HB   LYS  31          1HB       LYS  31   8.483  10.152   1.874
  258   2HB   LYS  31          2HB       LYS  31   6.894  10.442   2.651
  259   1HG   LYS  31          1HG       LYS  31   7.765  12.571   2.672
  260   2HG   LYS  31          2HG       LYS  31   8.120  11.981   4.329
  261   1HD   LYS  31          1HD       LYS  31  10.060  13.177   3.595
  262   2HD   LYS  31          2HD       LYS  31  10.503  11.445   3.499
  263   1HE   LYS  31          1HE       LYS  31   9.859  11.602   0.944
  264   2HE   LYS  31          2HE       LYS  31   9.812  13.393   1.196
  265   1HZ   LYS  31          1HZ       LYS  31  12.123  13.177   2.046
  266   2HZ   LYS  31          2HZ       LYS  31  12.089  11.532   1.599
  267   3HZ   LYS  31          3HZ       LYS  31  11.933  12.732   0.414
  268    H    VAL  32           H        VAL  32   5.790   8.715   3.541
  269    HA   VAL  32           HA       VAL  32   6.018   5.990   3.911
  270    HB   VAL  32           HB       VAL  32   3.622   5.884   3.298
  271   1HG1  VAL  32          1HG1      VAL  32   4.433   6.534   5.591
  272   2HG1  VAL  32          2HG1      VAL  32   4.385   8.274   5.111
  273   3HG1  VAL  32          3HG1      VAL  32   2.868   7.313   5.161
  274   1HG2  VAL  32          1HG2      VAL  32   4.038   8.865   2.527
  275   2HG2  VAL  32          2HG2      VAL  32   3.537   7.525   1.427
  276   3HG2  VAL  32          3HG2      VAL  32   2.454   8.061   2.752
  277    H    THR  33           H        THR  33   6.236   7.854   0.917
  278    HA   THR  33           HA       THR  33   5.605   5.688  -0.809
  279    HB   THR  33           HB       THR  33   6.576   7.262  -2.572
  280    HG1  THR  33           HG1      THR  33   7.061   9.299  -1.900
  281   1HG2  THR  33          1HG2      THR  33   4.133   7.159  -1.957
  282   2HG2  THR  33          2HG2      THR  33   4.399   8.382  -0.660
  283   3HG2  THR  33          3HG2      THR  33   4.642   8.832  -2.386
  284    H    GLU  34           H        GLU  34   8.459   6.871   0.852
  285    HA   GLU  34           HA       GLU  34  10.322   5.468  -0.840
  286   1HB   GLU  34          1HB       GLU  34  10.667   7.028   1.768
  287   2HB   GLU  34          2HB       GLU  34  12.017   6.445   0.723
  288   1HG   GLU  34          1HG       GLU  34  11.232   7.977  -1.109
  289   2HG   GLU  34          2HG       GLU  34   9.854   8.522  -0.079
  290    H    VAL  35           H        VAL  35   8.475   4.940   2.117
  291    HA   VAL  35           HA       VAL  35  10.132   2.892   3.191
  292    HB   VAL  35           HB       VAL  35   7.256   3.757   3.714
  293   1HG1  VAL  35          1HG1      VAL  35   8.896   1.535   5.115
  294   2HG1  VAL  35          2HG1      VAL  35   7.410   2.294   5.787
  295   3HG1  VAL  35          3HG1      VAL  35   7.310   1.338   4.268
  296   1HG2  VAL  35          1HG2      VAL  35   9.163   5.284   4.452
  297   2HG2  VAL  35          2HG2      VAL  35   8.261   4.593   5.841
  298   3HG2  VAL  35          3HG2      VAL  35   9.866   3.918   5.376
  299    H    ALA  36           H        ALA  36   7.660   3.104   0.691
  300    HA   ALA  36           HA       ALA  36   6.983   0.379   0.584
  301   1HB   ALA  36          1HB       ALA  36   6.101   0.878  -1.677
  302   2HB   ALA  36          2HB       ALA  36   6.946   2.473  -1.671
  303   3HB   ALA  36          3HB       ALA  36   5.602   2.158  -0.514
  304    H    LYS  37           H        LYS  37   9.793   2.204  -0.532
  305    HA   LYS  37           HA       LYS  37  10.744   0.049  -2.232
  306   1HB   LYS  37          1HB       LYS  37  11.918   2.747  -1.360
  307   2HB   LYS  37          2HB       LYS  37  12.818   1.590  -2.384
  308   1HG   LYS  37          1HG       LYS  37  10.087   2.784  -3.155
  309   2HG   LYS  37          2HG       LYS  37  11.658   3.520  -3.591
  310   1HD   LYS  37          1HD       LYS  37  10.693   0.707  -4.430
  311   2HD   LYS  37          2HD       LYS  37  10.664   2.178  -5.451
  312   1HE   LYS  37          1HE       LYS  37  13.205   0.760  -4.377
  313   2HE   LYS  37          2HE       LYS  37  12.590   0.753  -6.073
  314   1HZ   LYS  37          1HZ       LYS  37  13.476   3.152  -4.558
  315   2HZ   LYS  37          2HZ       LYS  37  14.374   2.318  -5.732
  316   3HZ   LYS  37          3HZ       LYS  37  12.943   3.119  -6.170
  317    H    ARG  38           H        ARG  38  10.238  -1.006   0.181
  318    HA   ARG  38           HA       ARG  38  10.990  -2.227   1.753
  319   1HB   ARG  38          1HB       ARG  38  12.260  -3.063  -0.340
  320   2HB   ARG  38          2HB       ARG  38  13.712  -2.288   0.358
  321   1HG   ARG  38          1HG       ARG  38  13.741  -4.653   0.820
  322   2HG   ARG  38          2HG       ARG  38  13.477  -3.815   2.386
  323   1HD   ARG  38          1HD       ARG  38  11.081  -4.431   2.387
  324   2HD   ARG  38          2HD       ARG  38  11.180  -5.057   0.698
  325    HE   ARG  38           HE       ARG  38  12.274  -6.328   3.187
  326   1HH1  ARG  38          1HH1      ARG  38  12.035  -6.440  -0.393
  327   2HH1  ARG  38          2HH1      ARG  38  12.568  -8.075  -0.511
  328   1HH2  ARG  38          1HH2      ARG  38  13.006  -8.537   2.995
  329   2HH2  ARG  38          2HH2      ARG  38  13.130  -9.284   1.447
  330    H    GLY  39           H        GLY  39  10.928   0.309   2.643
  331   1HA   GLY  39          1HA       GLY  39  11.941   1.905   3.849
  332   2HA   GLY  39          2HA       GLY  39  13.474   0.960   3.890
  333    H    GLY  40           H        GLY  40  10.360  -0.543   4.609
  334   1HA   GLY  40          1HA       GLY  40   9.408  -1.192   6.509
  335   2HA   GLY  40          2HA       GLY  40  10.598  -0.213   7.454
  336    H    GLU  41           H        GLU  41  10.502  -3.017   5.247
  337    HA   GLU  41           HA       GLU  41  11.348  -4.886   5.076
  338   1HB   GLU  41          1HB       GLU  41  13.592  -5.431   5.250
  339   2HB   GLU  41          2HB       GLU  41  13.459  -3.715   4.752
  340   1HG   GLU  41          1HG       GLU  41  14.114  -2.962   7.029
  341   2HG   GLU  41          2HG       GLU  41  14.127  -4.666   7.625
  342    H    LEU  42           H        LEU  42  11.101  -3.950   8.409
  343    HA   LEU  42           HA       LEU  42  11.539  -6.504   9.535
  344   1HB   LEU  42          1HB       LEU  42  10.014  -4.052  10.586
  345   2HB   LEU  42          2HB       LEU  42  10.464  -5.470  11.591
  346    HG   LEU  42           HG       LEU  42  12.490  -3.640  10.164
  347   1HD1  LEU  42          1HD1      LEU  42  11.185  -2.333  11.819
  348   2HD1  LEU  42          2HD1      LEU  42  11.546  -3.554  13.098
  349   3HD1  LEU  42          3HD1      LEU  42  12.881  -2.578  12.373
  350   1HD2  LEU  42          1HD2      LEU  42  12.870  -5.754  12.385
  351   2HD2  LEU  42          2HD2      LEU  42  13.414  -5.899  10.670
  352   3HD2  LEU  42          3HD2      LEU  42  14.145  -4.653  11.743
  353    H    TRP  43           H        TRP  43   9.000  -5.298   7.623
  354    HA   TRP  43           HA       TRP  43   6.777  -6.593   8.799
  355   1HB   TRP  43          1HB       TRP  43   6.445  -4.727   7.230
  356   2HB   TRP  43          2HB       TRP  43   7.412  -5.555   5.972
  357    HD1  TRP  43           HD1      TRP  43   5.904  -6.580   4.095
  358    HE1  TRP  43           HE1      TRP  43   3.527  -7.473   3.908
  359    HE3  TRP  43           HE3      TRP  43   4.519  -5.993   8.974
  360    HZ2  TRP  43           HZ2      TRP  43   1.271  -7.866   5.660
  361    HZ3  TRP  43           HZ3      TRP  43   2.243  -6.652   9.665
  362    HH2  TRP  43           HH2      TRP  43   0.637  -7.568   8.033
  363    H    ARG  44           H        ARG  44   9.388  -7.539   6.564
  364    HA   ARG  44           HA       ARG  44   7.958  -9.563   5.301
  365   1HB   ARG  44          1HB       ARG  44  10.218  -8.241   4.669
  366   2HB   ARG  44          2HB       ARG  44  11.009  -9.637   5.452
  367   1HG   ARG  44          1HG       ARG  44  10.921 -10.117   3.122
  368   2HG   ARG  44          2HG       ARG  44   9.611 -11.131   3.825
  369   1HD   ARG  44          1HD       ARG  44   7.886  -9.479   3.046
  370   2HD   ARG  44          2HD       ARG  44   9.206  -8.339   2.534
  371    HE   ARG  44           HE       ARG  44   9.322 -11.019   1.272
  372   1HH1  ARG  44          1HH1      ARG  44   7.891  -7.741   1.081
  373   2HH1  ARG  44          2HH1      ARG  44   7.531  -7.844  -0.597
  374   1HH2  ARG  44          1HH2      ARG  44   8.880 -11.108  -1.041
  375   2HH2  ARG  44          2HH2      ARG  44   8.151  -9.760  -1.832
  376    H    ALA  45           H        ALA  45  10.417  -9.643   7.932
  377    HA   ALA  45           HA       ALA  45   9.317 -12.248   8.762
  378   1HB   ALA  45          1HB       ALA  45  12.187 -11.174   9.143
  379   2HB   ALA  45          2HB       ALA  45  11.712 -12.572   8.116
  380   3HB   ALA  45          3HB       ALA  45  11.519 -12.672   9.903
  381    H    MET  46           H        MET  46   7.666 -11.125   9.907
  382    HA   MET  46           HA       MET  46   8.588  -9.233  11.950
  383   1HB   MET  46          1HB       MET  46   6.922  -8.500  10.186
  384   2HB   MET  46          2HB       MET  46   5.718  -9.590  10.885
  385   1HG   MET  46          1HG       MET  46   7.237  -7.514  12.592
  386   2HG   MET  46          2HG       MET  46   5.942  -6.979  11.492
  387   1HE   MET  46          1HE       MET  46   3.701  -8.868  11.422
  388   2HE   MET  46          2HE       MET  46   2.661  -8.314  12.770
  389   3HE   MET  46          3HE       MET  46   3.532  -7.114  11.755
  390    H    LYS  47           H        LYS  47   5.512 -11.028  12.004
  391    HA   LYS  47           HA       LYS  47   6.577 -13.014  13.797
  392   1HB   LYS  47          1HB       LYS  47   5.883 -11.027  15.296
  393   2HB   LYS  47          2HB       LYS  47   4.237 -11.171  14.646
  394   1HG   LYS  47          1HG       LYS  47   3.930 -12.423  16.523
  395   2HG   LYS  47          2HG       LYS  47   4.576 -13.766  15.528
  396   1HD   LYS  47          1HD       LYS  47   6.136 -11.975  17.510
  397   2HD   LYS  47          2HD       LYS  47   5.549 -13.645  17.827
  398   1HE   LYS  47          1HE       LYS  47   7.102 -14.536  16.049
  399   2HE   LYS  47          2HE       LYS  47   7.719 -12.857  15.758
  400   1HZ   LYS  47          1HZ       LYS  47   8.443 -12.779  18.041
  401   2HZ   LYS  47          2HZ       LYS  47   7.879 -14.357  18.317
  402   3HZ   LYS  47          3HZ       LYS  47   9.141 -14.086  17.214
  403    H    ASP  48           H        ASP  48   3.180 -11.974  13.420
  404    HA   ASP  48           HA       ASP  48   2.815 -13.863  11.213
  405   1HB   ASP  48          1HB       ASP  48   0.950 -13.464  13.651
  406   2HB   ASP  48          2HB       ASP  48   0.515 -14.400  12.171
  407    H    LYS  49           H        LYS  49   0.381 -13.180  10.393
  408    HA   LYS  49           HA       LYS  49   0.436 -10.235  10.155
  409   1HB   LYS  49          1HB       LYS  49  -0.629 -12.400   8.239
  410   2HB   LYS  49          2HB       LYS  49  -0.996 -10.652   8.087
  411   1HG   LYS  49          1HG       LYS  49   0.665 -11.010   6.532
  412   2HG   LYS  49          2HG       LYS  49   1.477 -10.161   7.890
  413   1HD   LYS  49          1HD       LYS  49   2.496 -12.318   8.638
  414   2HD   LYS  49          2HD       LYS  49   1.622 -13.203   7.342
  415   1HE   LYS  49          1HE       LYS  49   3.747 -10.979   6.904
  416   2HE   LYS  49          2HE       LYS  49   4.041 -12.760   6.774
  417   1HZ   LYS  49          1HZ       LYS  49   2.155 -11.178   5.107
  418   2HZ   LYS  49          2HZ       LYS  49   3.686 -11.743   4.643
  419   3HZ   LYS  49          3HZ       LYS  49   2.442 -12.846   4.987
  420    H    SER  50           H        SER  50  -0.966 -12.712  11.844
  421    HA   SER  50           HA       SER  50  -3.623 -12.690  11.283
  422   1HB   SER  50          1HB       SER  50  -2.250 -13.248  13.990
  423   2HB   SER  50          2HB       SER  50  -3.888 -13.835  13.494
  424    HG   SER  50           HG       SER  50  -2.214 -15.358  13.219
  425    H    GLU  51           H        GLU  51  -1.792 -10.539  13.431
  426    HA   GLU  51           HA       GLU  51  -3.871  -9.620  15.002
  427   1HB   GLU  51          1HB       GLU  51  -1.392  -7.964  14.206
  428   2HB   GLU  51          2HB       GLU  51  -2.415  -7.798  15.668
  429   1HG   GLU  51          1HG       GLU  51  -0.485  -8.867  16.483
  430   2HG   GLU  51          2HG       GLU  51  -1.643 -10.232  16.282
  431    H    TRP  52           H        TRP  52  -2.497  -8.401  11.928
  432    HA   TRP  52           HA       TRP  52  -4.009  -5.989  12.026
  433   1HB   TRP  52          1HB       TRP  52  -2.308  -7.153   9.745
  434   2HB   TRP  52          2HB       TRP  52  -2.850  -5.440   9.919
  435    HD1  TRP  52           HD1      TRP  52   0.064  -7.681  10.841
  436    HE1  TRP  52           HE1      TRP  52   1.518  -6.608  12.651
  437    HE3  TRP  52           HE3      TRP  52  -3.026  -3.822  12.106
  438    HZ2  TRP  52           HZ2      TRP  52   1.407  -4.314  14.369
  439    HZ3  TRP  52           HZ3      TRP  52  -2.316  -2.232  13.858
  440    HH2  TRP  52           HH2      TRP  52  -0.137  -2.486  14.986
  441    H    GLU  53           H        GLU  53  -4.311  -9.164  10.510
  442    HA   GLU  53           HA       GLU  53  -6.302  -8.422   8.625
  443   1HB   GLU  53          1HB       GLU  53  -5.464 -11.111   9.839
  444   2HB   GLU  53          2HB       GLU  53  -6.663 -10.948   8.502
  445   1HG   GLU  53          1HG       GLU  53  -4.976  -9.973   7.000
  446   2HG   GLU  53          2HG       GLU  53  -3.754  -9.923   8.316
  447    H    ALA  54           H        ALA  54  -6.253  -9.354  12.051
  448    HA   ALA  54           HA       ALA  54  -9.028  -9.946  12.225
  449   1HB   ALA  54          1HB       ALA  54  -6.994  -9.236  14.427
  450   2HB   ALA  54          2HB       ALA  54  -7.386 -10.894  13.851
  451   3HB   ALA  54          3HB       ALA  54  -8.643  -9.922  14.695
  452    H    LYS  55           H        LYS  55  -7.012  -7.014  12.536
  453    HA   LYS  55           HA       LYS  55  -9.105  -5.440  13.696
  454   1HB   LYS  55          1HB       LYS  55  -6.454  -4.689  12.337
  455   2HB   LYS  55          2HB       LYS  55  -7.567  -3.482  13.068
  456   1HG   LYS  55          1HG       LYS  55  -6.227  -5.777  14.623
  457   2HG   LYS  55          2HG       LYS  55  -5.625  -4.089  14.513
  458   1HD   LYS  55          1HD       LYS  55  -7.779  -3.279  15.563
  459   2HD   LYS  55          2HD       LYS  55  -8.332  -4.982  15.702
  460   1HE   LYS  55          1HE       LYS  55  -7.460  -4.220  17.877
  461   2HE   LYS  55          2HE       LYS  55  -6.379  -5.508  17.208
  462   1HZ   LYS  55          1HZ       LYS  55  -5.901  -2.574  17.067
  463   2HZ   LYS  55          2HZ       LYS  55  -5.162  -3.666  18.136
  464   3HZ   LYS  55          3HZ       LYS  55  -4.878  -3.790  16.466
  465    H    ALA  56           H        ALA  56  -8.123  -6.393  10.450
  466    HA   ALA  56           HA       ALA  56  -9.513  -4.297   9.110
  467   1HB   ALA  56          1HB       ALA  56  -7.574  -5.481   8.057
  468   2HB   ALA  56          2HB       ALA  56  -8.516  -7.016   8.064
  469   3HB   ALA  56          3HB       ALA  56  -9.060  -5.622   7.053
  470    H    ALA  57           H        ALA  57 -10.513  -7.158  10.758
  471    HA   ALA  57           HA       ALA  57 -12.809  -7.727   9.157
  472   1HB   ALA  57          1HB       ALA  57 -13.482  -9.223  11.022
  473   2HB   ALA  57          2HB       ALA  57 -11.751  -9.490  10.607
  474   3HB   ALA  57          3HB       ALA  57 -12.187  -8.528  12.065
  475    H    LYS  58           H        LYS  58 -11.989  -5.647  11.941
  476    HA   LYS  58           HA       LYS  58 -14.664  -5.065  12.679
  477   1HB   LYS  58          1HB       LYS  58 -12.083  -3.452  13.157
  478   2HB   LYS  58          2HB       LYS  58 -13.680  -3.129  13.918
  479   1HG   LYS  58          1HG       LYS  58 -13.589  -5.430  14.984
  480   2HG   LYS  58          2HG       LYS  58 -11.946  -5.648  14.285
  481   1HD   LYS  58          1HD       LYS  58 -11.691  -4.972  16.588
  482   2HD   LYS  58          2HD       LYS  58 -11.167  -3.601  15.544
  483   1HE   LYS  58          1HE       LYS  58 -13.397  -2.454  15.968
  484   2HE   LYS  58          2HE       LYS  58 -13.900  -3.851  17.002
  485   1HZ   LYS  58          1HZ       LYS  58 -12.050  -3.350  18.461
  486   2HZ   LYS  58          2HZ       LYS  58 -11.591  -2.037  17.483
  487   3HZ   LYS  58          3HZ       LYS  58 -13.086  -2.017  18.285
  488    H    ALA  59           H        ALA  59 -12.376  -3.819  10.290
  489    HA   ALA  59           HA       ALA  59 -13.696  -1.349   9.835
  490   1HB   ALA  59          1HB       ALA  59 -11.726  -2.909   8.048
  491   2HB   ALA  59          2HB       ALA  59 -12.178  -1.170   7.869
  492   3HB   ALA  59          3HB       ALA  59 -11.260  -1.717   9.314
  493    H    LYS  60           H        LYS  60 -14.344  -4.625   8.934
  494    HA   LYS  60           HA       LYS  60 -15.687  -4.011   6.466
  495   1HB   LYS  60          1HB       LYS  60 -14.357  -6.126   6.992
  496   2HB   LYS  60          2HB       LYS  60 -15.688  -6.628   8.079
  497   1HG   LYS  60          1HG       LYS  60 -17.280  -6.621   6.187
  498   2HG   LYS  60          2HG       LYS  60 -16.020  -6.011   5.063
  499   1HD   LYS  60          1HD       LYS  60 -15.790  -8.707   6.560
  500   2HD   LYS  60          2HD       LYS  60 -16.622  -8.505   4.988
  501   1HE   LYS  60          1HE       LYS  60 -14.435  -9.326   4.461
  502   2HE   LYS  60          2HE       LYS  60 -14.467  -7.586   3.974
  503   1HZ   LYS  60          1HZ       LYS  60 -13.266  -8.708   6.458
  504   2HZ   LYS  60          2HZ       LYS  60 -12.433  -8.197   5.071
  505   3HZ   LYS  60          3HZ       LYS  60 -13.283  -7.070   6.012
  506    H    ASP  61           H        ASP  61 -16.414  -4.530   9.920
  507    HA   ASP  61           HA       ASP  61 -19.243  -4.669   9.599
  508   1HB   ASP  61          1HB       ASP  61 -17.537  -3.914  12.066
  509   2HB   ASP  61          2HB       ASP  61 -19.311  -4.237  12.085
  510    H    ASP  62           H        ASP  62 -16.786  -2.142  10.150
  511    HA   ASP  62           HA       ASP  62 -18.661  -0.084  10.656
  512   1HB   ASP  62          1HB       ASP  62 -16.234  -0.158  11.490
  513   2HB   ASP  62          2HB       ASP  62 -15.712   0.206   9.809
  514    H    TYR  63           H        TYR  63 -17.362  -1.588   7.762
  515    HA   TYR  63           HA       TYR  63 -17.764   0.551   5.975
  516   1HB   TYR  63          1HB       TYR  63 -16.315  -1.424   5.409
  517   2HB   TYR  63          2HB       TYR  63 -17.755  -2.498   5.469
  518    HD1  TYR  63           HD1      TYR  63 -16.489   0.631   3.732
  519    HD2  TYR  63           HD2      TYR  63 -18.903  -2.919   3.482
  520    HE1  TYR  63           HE1      TYR  63 -16.933   1.099   1.353
  521    HE2  TYR  63           HE2      TYR  63 -19.340  -2.460   1.099
  522    HH   TYR  63           HH       TYR  63 -17.966   0.416  -0.558
  523    H    ASP  64           H        ASP  64 -19.814  -2.158   7.165
  524    HA   ASP  64           HA       ASP  64 -21.971  -1.728   5.446
  525   1HB   ASP  64          1HB       ASP  64 -21.498  -3.848   6.793
  526   2HB   ASP  64          2HB       ASP  64 -21.994  -2.965   8.276
  527    H    ARG  65           H        ARG  65 -21.057  -0.366   8.610
  528    HA   ARG  65           HA       ARG  65 -23.516   0.928   9.119
  529   1HB   ARG  65          1HB       ARG  65 -21.800   0.332  10.873
  530   2HB   ARG  65          2HB       ARG  65 -20.693   1.559  10.179
  531   1HG   ARG  65          1HG       ARG  65 -22.402   3.349  10.706
  532   2HG   ARG  65          2HG       ARG  65 -23.473   2.084  11.408
  533   1HD   ARG  65          1HD       ARG  65 -21.707   1.568  13.145
  534   2HD   ARG  65          2HD       ARG  65 -20.630   2.822  12.395
  535    HE   ARG  65           HE       ARG  65 -23.408   3.534  13.380
  536   1HH1  ARG  65          1HH1      ARG  65 -19.857   4.004  13.626
  537   2HH1  ARG  65          2HH1      ARG  65 -19.980   5.376  14.662
  538   1HH2  ARG  65          1HH2      ARG  65 -23.543   5.385  14.781
  539   2HH2  ARG  65          2HH2      ARG  65 -22.113   6.174  15.333
  540    H    ALA  66           H        ALA  66 -20.365   1.939   7.691
  541    HA   ALA  66           HA       ALA  66 -20.883   4.642   7.602
  542   1HB   ALA  66          1HB       ALA  66 -18.592   3.682   7.417
  543   2HB   ALA  66          2HB       ALA  66 -18.935   4.761   6.021
  544   3HB   ALA  66          3HB       ALA  66 -19.011   2.967   5.820
  545    H    VAL  67           H        VAL  67 -21.542   2.096   5.128
  546    HA   VAL  67           HA       VAL  67 -22.118   3.994   3.115
  547    HB   VAL  67           HB       VAL  67 -22.997   2.138   1.773
  548   1HG1  VAL  67          1HG1      VAL  67 -20.590   2.769   1.784
  549   2HG1  VAL  67          2HG1      VAL  67 -20.270   1.638   3.148
  550   3HG1  VAL  67          3HG1      VAL  67 -20.801   0.995   1.555
  551   1HG2  VAL  67          1HG2      VAL  67 -22.408   0.429   4.289
  552   2HG2  VAL  67          2HG2      VAL  67 -24.029   0.746   3.574
  553   3HG2  VAL  67          3HG2      VAL  67 -22.809  -0.199   2.654
  554    H    LYS  68           H        LYS  68 -23.937   2.937   5.848
  555    HA   LYS  68           HA       LYS  68 -26.495   3.029   4.649
  556   1HB   LYS  68          1HB       LYS  68 -25.866   1.772   6.795
  557   2HB   LYS  68          2HB       LYS  68 -25.764   3.357   7.620
  558   1HG   LYS  68          1HG       LYS  68 -27.875   2.327   8.135
  559   2HG   LYS  68          2HG       LYS  68 -28.214   3.751   7.096
  560   1HD   LYS  68          1HD       LYS  68 -28.541   2.292   5.123
  561   2HD   LYS  68          2HD       LYS  68 -28.036   0.845   6.056
  562   1HE   LYS  68          1HE       LYS  68 -30.552   2.563   6.646
  563   2HE   LYS  68          2HE       LYS  68 -30.533   0.987   5.753
  564   1HZ   LYS  68          1HZ       LYS  68 -29.641  -0.057   7.727
  565   2HZ   LYS  68          2HZ       LYS  68 -29.682   1.417   8.568
  566   3HZ   LYS  68          3HZ       LYS  68 -31.129   0.701   8.040
  567    H    GLU  69           H        GLU  69 -24.538   5.318   6.669
  568    HA   GLU  69           HA       GLU  69 -26.492   7.380   6.498
  569   1HB   GLU  69          1HB       GLU  69 -23.555   7.447   7.399
  570   2HB   GLU  69          2HB       GLU  69 -24.645   8.872   7.394
  571   1HG   GLU  69          1HG       GLU  69 -24.705   8.150   9.621
  572   2HG   GLU  69          2HG       GLU  69 -26.262   7.595   8.908
  573    H    PHE  70           H        PHE  70 -23.833   6.304   4.478
  574    HA   PHE  70           HA       PHE  70 -23.279   8.708   3.142
  575   1HB   PHE  70          1HB       PHE  70 -21.724   6.739   3.161
  576   2HB   PHE  70          2HB       PHE  70 -22.963   5.754   2.312
  577    HD1  PHE  70           HD1      PHE  70 -21.095   9.032   1.837
  578    HD2  PHE  70           HD2      PHE  70 -22.671   5.449   0.051
  579    HE1  PHE  70           HE1      PHE  70 -20.104   9.672  -0.337
  580    HE2  PHE  70           HE2      PHE  70 -21.689   6.102  -2.122
  581    HZ   PHE  70           HZ       PHE  70 -20.403   8.215  -2.316
  582    H    GLU  71           H        GLU  71 -25.462   5.914   2.388
  583    HA   GLU  71           HA       GLU  71 -26.334   7.146  -0.050
  584   1HB   GLU  71          1HB       GLU  71 -27.261   4.629   1.429
  585   2HB   GLU  71          2HB       GLU  71 -27.880   5.158  -0.179
  586   1HG   GLU  71          1HG       GLU  71 -25.587   4.995  -1.153
  587   2HG   GLU  71          2HG       GLU  71 -24.924   4.490   0.443
  588    H    ALA  72           H        ALA  72 -27.276   7.292   3.308
  589    HA   ALA  72           HA       ALA  72 -30.015   7.965   2.811
  590   1HB   ALA  72          1HB       ALA  72 -30.050   8.624   5.237
  591   2HB   ALA  72          2HB       ALA  72 -29.388   6.968   4.995
  592   3HB   ALA  72          3HB       ALA  72 -28.269   8.334   5.326
  593    H    ASN  73           H        ASN  73 -27.198   9.843   4.148
  594    HA   ASN  73           HA       ASN  73 -28.400  12.283   3.043
  595   1HB   ASN  73          1HB       ASN  73 -27.923  12.265   5.545
  596   2HB   ASN  73          2HB       ASN  73 -26.193  11.961   5.181
  597   2HD2  ASN  73          2HD2      ASN  73 -28.882  14.249   4.190
  598   1HD2  ASN  73          1HD2      ASN  73 -27.905  15.680   4.206
  599    H    GLY  74           H        GLY  74 -27.646  12.516   0.983
  600   1HA   GLY  74          1HA       GLY  74 -26.241  11.874  -0.730
  601   2HA   GLY  74          2HA       GLY  74 -24.848  11.801   0.420

  No H/Q in entry =         601
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1 -30.547   9.501   6.351
    2    H2   MET   1           H2       MET   1 -31.755   8.318   6.567
    3    H3   MET   1           H3       MET   1 -31.206   9.235   7.890
    4    HA   MET   1           HA       MET   1 -30.265   7.086   7.998
    5   1HB   MET   1          1HB       MET   1 -30.357   6.620   5.489
    6   2HB   MET   1          2HB       MET   1 -29.026   7.790   5.249
    7   1HG   MET   1          1HG       MET   1 -28.166   5.518   5.141
    8   2HG   MET   1          2HG       MET   1 -27.481   6.360   6.554
    9   1HE   MET   1          1HE       MET   1 -29.915   3.636   5.168
   10   2HE   MET   1          2HE       MET   1 -30.715   2.965   6.627
   11   3HE   MET   1          3HE       MET   1 -31.116   4.620   6.075
   12    H    SER   2           H        SER   2 -28.435   7.124   9.354
   13    HA   SER   2           HA       SER   2 -26.427   9.166   8.893
   14   1HB   SER   2          1HB       SER   2 -26.570   9.928  11.322
   15   2HB   SER   2          2HB       SER   2 -27.976  10.420  10.314
   16    HG   SER   2           HG       SER   2 -27.818   8.337  12.205
   17    H    ASP   3           H        ASP   3 -25.997   6.683   8.219
   18    HA   ASP   3           HA       ASP   3 -24.186   5.773  10.277
   19   1HB   ASP   3          1HB       ASP   3 -26.332   4.322  10.473
   20   2HB   ASP   3          2HB       ASP   3 -26.081   3.830   8.766
   21    H    LYS   4           H        LYS   4 -22.316   4.828   9.170
   22    HA   LYS   4           HA       LYS   4 -22.411   4.676   6.315
   23   1HB   LYS   4          1HB       LYS   4 -21.935   7.118   6.751
   24   2HB   LYS   4          2HB       LYS   4 -20.511   6.654   7.735
   25   1HG   LYS   4          1HG       LYS   4 -19.430   5.650   5.728
   26   2HG   LYS   4          2HG       LYS   4 -20.882   6.014   4.732
   27   1HD   LYS   4          1HD       LYS   4 -19.116   8.122   6.128
   28   2HD   LYS   4          2HD       LYS   4 -18.952   7.601   4.413
   29   1HE   LYS   4          1HE       LYS   4 -21.282   8.414   3.919
   30   2HE   LYS   4          2HE       LYS   4 -21.450   8.980   5.629
   31   1HZ   LYS   4          1HZ       LYS   4 -19.422   9.926   3.674
   32   2HZ   LYS   4          2HZ       LYS   4 -20.835  10.740   4.144
   33   3HZ   LYS   4          3HZ       LYS   4 -19.602  10.460   5.277
   34    HA   PRO   5           HA       PRO   5 -19.765   1.576   8.131
   35   1HB   PRO   5          1HB       PRO   5 -18.771   0.268   5.859
   36   2HB   PRO   5          2HB       PRO   5 -20.500   0.170   6.362
   37   1HG   PRO   5          1HG       PRO   5 -19.265   2.091   4.310
   38   2HG   PRO   5          2HG       PRO   5 -20.699   1.001   4.092
   39   1HD   PRO   5          1HD       PRO   5 -20.990   3.654   4.793
   40   2HD   PRO   5          2HD       PRO   5 -22.062   2.382   5.545
   41    H    LYS   6           H        LYS   6 -17.400   0.695   7.926
   42    HA   LYS   6           HA       LYS   6 -15.601   2.958   7.809
   43   1HB   LYS   6          1HB       LYS   6 -15.128  -0.015   8.456
   44   2HB   LYS   6          2HB       LYS   6 -13.917   1.297   8.676
   45   1HG   LYS   6          1HG       LYS   6 -15.319   2.364  10.403
   46   2HG   LYS   6          2HG       LYS   6 -16.622   1.152  10.165
   47   1HD   LYS   6          1HD       LYS   6 -13.778   0.514  11.161
   48   2HD   LYS   6          2HD       LYS   6 -15.234   0.742  12.194
   49   1HE   LYS   6          1HE       LYS   6 -16.355  -1.218  11.041
   50   2HE   LYS   6          2HE       LYS   6 -14.845  -1.499  10.083
   51   1HZ   LYS   6          1HZ       LYS   6 -13.666  -1.833  12.153
   52   2HZ   LYS   6          2HZ       LYS   6 -15.092  -1.586  13.043
   53   3HZ   LYS   6          3HZ       LYS   6 -14.969  -2.910  11.985
   54    H    ARG   7           H        ARG   7 -13.752   2.980   6.334
   55    HA   ARG   7           HA       ARG   7 -14.296   1.663   3.851
   56   1HB   ARG   7          1HB       ARG   7 -12.224   3.691   4.801
   57   2HB   ARG   7          2HB       ARG   7 -11.902   2.758   3.311
   58   1HG   ARG   7          1HG       ARG   7 -14.186   3.428   2.435
   59   2HG   ARG   7          2HG       ARG   7 -14.287   4.622   3.779
   60   1HD   ARG   7          1HD       ARG   7 -12.207   5.774   2.909
   61   2HD   ARG   7          2HD       ARG   7 -12.000   4.465   1.684
   62    HE   ARG   7           HE       ARG   7 -13.715   5.342   0.380
   63   1HH1  ARG   7          1HH1      ARG   7 -13.672   7.078   3.516
   64   2HH1  ARG   7          2HH1      ARG   7 -14.719   8.342   2.988
   65   1HH2  ARG   7          1HH2      ARG   7 -15.141   7.056  -0.312
   66   2HH2  ARG   7          2HH2      ARG   7 -15.572   8.327   0.770
   67    HA   PRO   8           HA       PRO   8 -11.691  -1.751   4.778
   68   1HB   PRO   8          1HB       PRO   8 -11.012  -2.739   2.299
   69   2HB   PRO   8          2HB       PRO   8 -12.753  -2.590   2.777
   70   1HG   PRO   8          1HG       PRO   8 -11.152  -0.628   1.086
   71   2HG   PRO   8          2HG       PRO   8 -12.773  -1.355   0.725
   72   1HD   PRO   8          1HD       PRO   8 -12.392   1.138   1.964
   73   2HD   PRO   8          2HD       PRO   8 -13.854   0.108   2.282
   74    H    LEU   9           H        LEU   9  -9.328  -2.570   4.515
   75    HA   LEU   9           HA       LEU   9  -7.499  -0.571   3.490
   76   1HB   LEU   9          1HB       LEU   9  -7.167  -1.722   6.344
   77   2HB   LEU   9          2HB       LEU   9  -6.058  -0.612   5.477
   78    HG   LEU   9           HG       LEU   9  -8.302   0.933   5.435
   79   1HD1  LEU   9          1HD1      LEU   9  -9.714  -0.711   6.718
   80   2HD1  LEU   9          2HD1      LEU   9  -8.536  -0.656   8.077
   81   3HD1  LEU   9          3HD1      LEU   9  -9.481   0.819   7.634
   82   1HD2  LEU   9          1HD2      LEU   9  -6.045   1.599   6.244
   83   2HD2  LEU   9          2HD2      LEU   9  -7.373   2.212   7.297
   84   3HD2  LEU   9          3HD2      LEU   9  -6.378   0.808   7.828
   85    H    SER  10           H        SER  10  -5.188  -1.753   3.736
   86    HA   SER  10           HA       SER  10  -5.615  -4.625   3.272
   87   1HB   SER  10          1HB       SER  10  -3.354  -4.646   2.201
   88   2HB   SER  10          2HB       SER  10  -4.540  -3.624   1.319
   89    HG   SER  10           HG       SER  10  -2.582  -2.597   1.526
   90    H    ALA  11           H        ALA  11  -3.676  -5.915   4.147
   91    HA   ALA  11           HA       ALA  11  -3.647  -5.466   6.938
   92   1HB   ALA  11          1HB       ALA  11  -3.723  -7.754   5.880
   93   2HB   ALA  11          2HB       ALA  11  -2.336  -7.584   7.011
   94   3HB   ALA  11          3HB       ALA  11  -2.070  -7.492   5.225
   95    H    TYR  12           H        TYR  12  -1.444  -4.905   4.242
   96    HA   TYR  12           HA       TYR  12   0.906  -4.558   5.730
   97   1HB   TYR  12          1HB       TYR  12   0.912  -5.141   3.295
   98   2HB   TYR  12          2HB       TYR  12   0.079  -3.590   2.913
   99    HD1  TYR  12           HD1      TYR  12   3.020  -4.224   5.254
  100    HD2  TYR  12           HD2      TYR  12   1.627  -2.459   1.583
  101    HE1  TYR  12           HE1      TYR  12   5.158  -3.055   5.008
  102    HE2  TYR  12           HE2      TYR  12   3.781  -1.292   1.330
  103    HH   TYR  12           HH       TYR  12   5.875  -0.970   2.196
  104    H    MET  13           H        MET  13  -1.686  -2.361   4.569
  105    HA   MET  13           HA       MET  13  -0.342   0.015   5.019
  106   1HB   MET  13          1HB       MET  13  -2.493  -0.527   3.622
  107   2HB   MET  13          2HB       MET  13  -3.393  -0.309   5.143
  108   1HG   MET  13          1HG       MET  13  -3.500   1.758   3.921
  109   2HG   MET  13          2HG       MET  13  -2.388   2.043   5.289
  110   1HE   MET  13          1HE       MET  13  -2.924   1.754   1.418
  111   2HE   MET  13          2HE       MET  13  -1.265   1.629   0.744
  112   3HE   MET  13          3HE       MET  13  -1.956   0.259   1.668
  113    H    LEU  14           H        LEU  14  -2.299  -2.025   7.163
  114    HA   LEU  14           HA       LEU  14  -2.731  -0.122   9.195
  115   1HB   LEU  14          1HB       LEU  14  -2.738  -3.187   9.187
  116   2HB   LEU  14          2HB       LEU  14  -3.225  -2.206  10.613
  117    HG   LEU  14           HG       LEU  14  -4.601  -1.918   7.892
  118   1HD1  LEU  14          1HD1      LEU  14  -4.776  -4.294   8.638
  119   2HD1  LEU  14          2HD1      LEU  14  -5.439  -3.754  10.224
  120   3HD1  LEU  14          3HD1      LEU  14  -6.366  -3.448   8.706
  121   1HD2  LEU  14          1HD2      LEU  14  -4.945  -0.028   9.502
  122   2HD2  LEU  14          2HD2      LEU  14  -6.460  -0.973   9.268
  123   3HD2  LEU  14          3HD2      LEU  14  -5.484  -1.196  10.767
  124    H    TRP  15           H        TRP  15  -0.051  -2.330   8.428
  125    HA   TRP  15           HA       TRP  15   1.042  -2.255  11.061
  126   1HB   TRP  15          1HB       TRP  15   1.337  -4.216   9.665
  127   2HB   TRP  15          2HB       TRP  15   2.157  -3.252   8.390
  128    HD1  TRP  15           HD1      TRP  15   2.879  -4.639  12.025
  129    HE1  TRP  15           HE1      TRP  15   5.404  -4.517  12.420
  130    HE3  TRP  15           HE3      TRP  15   4.183  -2.254   7.713
  131    HZ2  TRP  15           HZ2      TRP  15   7.692  -3.417  11.087
  132    HZ3  TRP  15           HZ3      TRP  15   6.534  -1.597   7.371
  133    HH2  TRP  15           HH2      TRP  15   8.263  -2.153   9.036
  134    H    LEU  16           H        LEU  16   1.319  -0.282   8.119
  135    HA   LEU  16           HA       LEU  16   3.856   0.775   8.654
  136   1HB   LEU  16          1HB       LEU  16   1.514   1.923   7.033
  137   2HB   LEU  16          2HB       LEU  16   3.169   2.624   7.035
  138    HG   LEU  16           HG       LEU  16   2.494  -0.238   6.146
  139   1HD1  LEU  16          1HD1      LEU  16   1.456   1.436   4.620
  140   2HD1  LEU  16          2HD1      LEU  16   3.056   2.239   4.401
  141   3HD1  LEU  16          3HD1      LEU  16   2.805   0.548   3.821
  142   1HD2  LEU  16          1HD2      LEU  16   4.855   0.000   6.941
  143   2HD2  LEU  16          2HD2      LEU  16   4.779  -0.252   5.167
  144   3HD2  LEU  16          3HD2      LEU  16   5.087   1.390   5.822
  145    H    ASN  17           H        ASN  17   0.596   1.760   9.778
  146    HA   ASN  17           HA       ASN  17   1.625   4.260  10.757
  147   1HB   ASN  17          1HB       ASN  17  -0.629   4.676  11.691
  148   2HB   ASN  17          2HB       ASN  17  -0.609   4.370   9.930
  149   2HD2  ASN  17          2HD2      ASN  17  -1.976   2.800   9.120
  150   1HD2  ASN  17          1HD2      ASN  17  -2.876   1.673  10.080
  151    H    SER  18           H        SER  18   1.329   0.991  12.039
  152    HA   SER  18           HA       SER  18   1.295   1.915  14.770
  153   1HB   SER  18          1HB       SER  18   1.485  -0.502  15.389
  154   2HB   SER  18          2HB       SER  18   0.069  -0.128  14.345
  155    HG   SER  18           HG       SER  18   1.015  -1.060  12.669
  156    H    ALA  19           H        ALA  19   3.660   0.592  12.418
  157    HA   ALA  19           HA       ALA  19   5.766   0.585  14.399
  158   1HB   ALA  19          1HB       ALA  19   5.580  -1.255  12.695
  159   2HB   ALA  19          2HB       ALA  19   5.819  -0.048  11.384
  160   3HB   ALA  19          3HB       ALA  19   7.145  -0.379  12.564
  161    H    ARG  20           H        ARG  20   4.320   3.079  12.943
  162    HA   ARG  20           HA       ARG  20   6.091   4.290  11.268
  163   1HB   ARG  20          1HB       ARG  20   3.587   4.735  11.839
  164   2HB   ARG  20          2HB       ARG  20   4.171   5.867  13.085
  165   1HG   ARG  20          1HG       ARG  20   4.864   5.986  10.067
  166   2HG   ARG  20          2HG       ARG  20   3.431   6.775  10.811
  167   1HD   ARG  20          1HD       ARG  20   4.924   8.208  12.238
  168   2HD   ARG  20          2HD       ARG  20   6.380   7.496  11.411
  169    HE   ARG  20           HE       ARG  20   4.528   8.437   9.418
  170   1HH1  ARG  20          1HH1      ARG  20   6.782   9.677  11.898
  171   2HH1  ARG  20          2HH1      ARG  20   6.991  11.219  11.149
  172   1HH2  ARG  20          1HH2      ARG  20   4.809  10.547   8.410
  173   2HH2  ARG  20          2HH2      ARG  20   5.851  11.714   9.128
  174    H    GLU  21           H        GLU  21   5.776   4.648  14.843
  175    HA   GLU  21           HA       GLU  21   7.445   6.880  15.001
  176   1HB   GLU  21          1HB       GLU  21   6.666   4.906  17.205
  177   2HB   GLU  21          2HB       GLU  21   7.465   6.503  17.449
  178   1HG   GLU  21          1HG       GLU  21   5.481   7.626  16.325
  179   2HG   GLU  21          2HG       GLU  21   4.638   6.031  16.287
  180    H    SER  22           H        SER  22   8.191   3.437  14.853
  181    HA   SER  22           HA       SER  22  10.802   3.711  16.004
  182   1HB   SER  22          1HB       SER  22   9.634   1.473  14.227
  183   2HB   SER  22          2HB       SER  22  11.177   1.395  15.163
  184    HG   SER  22           HG       SER  22   9.435   0.430  16.229
  185    H    ILE  23           H        ILE  23   9.336   3.464  12.740
  186    HA   ILE  23           HA       ILE  23  11.697   3.287  11.321
  187    HB   ILE  23           HB       ILE  23   8.860   4.060  10.549
  188   1HG1  ILE  23          1HG1      ILE  23  10.485   1.475  10.087
  189   2HG1  ILE  23          2HG1      ILE  23   9.388   1.714  11.479
  190   1HG2  ILE  23          1HG2      ILE  23  11.296   3.540   8.714
  191   2HG2  ILE  23          2HG2      ILE  23   9.590   3.557   8.154
  192   3HG2  ILE  23          3HG2      ILE  23  10.310   5.050   8.817
  193   1HD1  ILE  23          1HD1      ILE  23   7.446   2.049   9.909
  194   2HD1  ILE  23          2HD1      ILE  23   8.535   1.690   8.514
  195   3HD1  ILE  23          3HD1      ILE  23   8.219   0.430   9.757
  196    H    LYS  24           H        LYS  24   9.813   6.217  12.302
  197    HA   LYS  24           HA       LYS  24  11.244   7.934  10.581
  198   1HB   LYS  24          1HB       LYS  24  10.345   9.817  11.941
  199   2HB   LYS  24          2HB       LYS  24   9.083   8.698  11.350
  200   1HG   LYS  24          1HG       LYS  24   8.595   7.863  13.475
  201   2HG   LYS  24          2HG       LYS  24  10.218   8.220  14.142
  202   1HD   LYS  24          1HD       LYS  24   9.748  10.644  14.132
  203   2HD   LYS  24          2HD       LYS  24   8.088  10.339  13.503
  204   1HE   LYS  24          1HE       LYS  24   7.497   9.069  15.569
  205   2HE   LYS  24          2HE       LYS  24   9.192   9.235  16.185
  206   1HZ   LYS  24          1HZ       LYS  24   7.331  11.491  15.632
  207   2HZ   LYS  24          2HZ       LYS  24   7.658  10.814  17.154
  208   3HZ   LYS  24          3HZ       LYS  24   8.894  11.593  16.289
  209    H    ARG  25           H        ARG  25  12.111   6.541  13.689
  210    HA   ARG  25           HA       ARG  25  13.992   8.667  14.301
  211   1HB   ARG  25          1HB       ARG  25  13.378   5.994  15.689
  212   2HB   ARG  25          2HB       ARG  25  14.593   7.191  16.260
  213   1HG   ARG  25          1HG       ARG  25  12.814   8.897  16.578
  214   2HG   ARG  25          2HG       ARG  25  11.586   7.764  15.930
  215   1HD   ARG  25          1HD       ARG  25  11.494   7.816  18.423
  216   2HD   ARG  25          2HD       ARG  25  11.983   6.178  17.808
  217    HE   ARG  25           HE       ARG  25  14.162   8.122  18.510
  218   1HH1  ARG  25          1HH1      ARG  25  12.255   5.254  19.506
  219   2HH1  ARG  25          2HH1      ARG  25  13.385   4.751  20.708
  220   1HH2  ARG  25          1HH2      ARG  25  15.676   7.424  20.150
  221   2HH2  ARG  25          2HH2      ARG  25  15.361   6.008  21.080
  222    H    GLU  26           H        GLU  26  13.923   5.219  13.283
  223    HA   GLU  26           HA       GLU  26  16.705   4.857  13.428
  224   1HB   GLU  26          1HB       GLU  26  14.506   3.307  11.950
  225   2HB   GLU  26          2HB       GLU  26  16.210   2.739  12.097
  226   1HG   GLU  26          1HG       GLU  26  16.038   2.597  14.544
  227   2HG   GLU  26          2HG       GLU  26  14.383   3.298  14.529
  228    H    ASN  27           H        ASN  27  14.433   5.519  10.693
  229    HA   ASN  27           HA       ASN  27  16.704   5.728   8.884
  230   1HB   ASN  27          1HB       ASN  27  13.680   5.880   8.356
  231   2HB   ASN  27          2HB       ASN  27  14.958   6.045   7.098
  232   2HD2  ASN  27          2HD2      ASN  27  13.376   3.771   9.385
  233   1HD2  ASN  27          1HD2      ASN  27  13.974   2.315   8.656
  234    HA   PRO  28           HA       PRO  28  16.625   9.934   9.948
  235   1HB   PRO  28          1HB       PRO  28  18.263  11.112   8.058
  236   2HB   PRO  28          2HB       PRO  28  18.833   9.831   9.189
  237   1HG   PRO  28          1HG       PRO  28  17.854   9.429   6.308
  238   2HG   PRO  28          2HG       PRO  28  19.413   8.866   7.046
  239   1HD   PRO  28          1HD       PRO  28  17.193   7.217   6.907
  240   2HD   PRO  28          2HD       PRO  28  18.276   7.210   8.376
  241    H    GLY  29           H        GLY  29  14.253  10.411   9.654
  242   1HA   GLY  29          1HA       GLY  29  14.049  12.782   8.141
  243   2HA   GLY  29          2HA       GLY  29  12.772  11.952   9.112
  244    H    ILE  30           H        ILE  30  12.381   9.618   7.945
  245    HA   ILE  30           HA       ILE  30  12.589   9.710   5.114
  246    HB   ILE  30           HB       ILE  30  13.331   7.849   6.490
  247   1HG1  ILE  30          1HG1      ILE  30  11.020   7.022   4.652
  248   2HG1  ILE  30          2HG1      ILE  30  12.663   7.518   4.118
  249   1HG2  ILE  30          1HG2      ILE  30  11.660   8.007   8.332
  250   2HG2  ILE  30          2HG2      ILE  30  10.355   7.447   7.225
  251   3HG2  ILE  30          3HG2      ILE  30  11.712   6.355   7.653
  252   1HD1  ILE  30          1HD1      ILE  30  13.659   5.589   5.385
  253   2HD1  ILE  30          2HD1      ILE  30  12.003   5.058   5.876
  254   3HD1  ILE  30          3HD1      ILE  30  12.481   5.051   4.142
  255    H    LYS  31           H        LYS  31  10.905   9.704   3.565
  256    HA   LYS  31           HA       LYS  31   8.295  10.595   4.541
  257   1HB   LYS  31          1HB       LYS  31   9.746  10.739   1.867
  258   2HB   LYS  31          2HB       LYS  31   7.956  10.720   1.865
  259   1HG   LYS  31          1HG       LYS  31   8.627  12.988   1.746
  260   2HG   LYS  31          2HG       LYS  31   7.841  12.693   3.330
  261   1HD   LYS  31          1HD       LYS  31  10.098  12.651   4.433
  262   2HD   LYS  31          2HD       LYS  31  10.876  12.920   2.830
  263   1HE   LYS  31          1HE       LYS  31   9.683  15.138   2.626
  264   2HE   LYS  31          2HE       LYS  31   8.894  14.856   4.230
  265   1HZ   LYS  31          1HZ       LYS  31  11.089  14.794   5.227
  266   2HZ   LYS  31          2HZ       LYS  31  11.816  15.087   3.720
  267   3HZ   LYS  31          3HZ       LYS  31  10.803  16.260   4.416
  268    H    VAL  32           H        VAL  32   6.361   9.641   3.353
  269    HA   VAL  32           HA       VAL  32   6.308   7.028   4.205
  270    HB   VAL  32           HB       VAL  32   3.947   7.003   3.499
  271   1HG1  VAL  32          1HG1      VAL  32   4.658   7.990   5.668
  272   2HG1  VAL  32          2HG1      VAL  32   4.908   9.600   4.888
  273   3HG1  VAL  32          3HG1      VAL  32   3.262   8.891   4.976
  274   1HG2  VAL  32          1HG2      VAL  32   4.631   9.740   2.209
  275   2HG2  VAL  32          2HG2      VAL  32   4.125   8.245   1.335
  276   3HG2  VAL  32          3HG2      VAL  32   2.984   9.068   2.442
  277    H    THR  33           H        THR  33   7.036   8.214   0.999
  278    HA   THR  33           HA       THR  33   6.181   5.871  -0.390
  279    HB   THR  33           HB       THR  33   7.469   6.940  -2.299
  280    HG1  THR  33           HG1      THR  33   8.267   8.964  -1.953
  281   1HG2  THR  33          1HG2      THR  33   5.025   7.366  -1.885
  282   2HG2  THR  33          2HG2      THR  33   5.431   8.720  -0.768
  283   3HG2  THR  33          3HG2      THR  33   5.849   8.839  -2.514
  284    H    GLU  34           H        GLU  34   8.981   6.907   1.409
  285    HA   GLU  34           HA       GLU  34  10.742   4.896   0.278
  286   1HB   GLU  34          1HB       GLU  34  11.136   6.996   2.458
  287   2HB   GLU  34          2HB       GLU  34  12.443   5.966   1.762
  288   1HG   GLU  34          1HG       GLU  34  12.166   7.132  -0.441
  289   2HG   GLU  34          2HG       GLU  34  10.766   8.068   0.210
  290    H    VAL  35           H        VAL  35   8.660   5.561   3.051
  291    HA   VAL  35           HA       VAL  35   9.646   3.509   4.745
  292    HB   VAL  35           HB       VAL  35   6.984   5.009   4.619
  293   1HG1  VAL  35          1HG1      VAL  35   7.975   2.982   6.730
  294   2HG1  VAL  35          2HG1      VAL  35   6.593   4.119   6.960
  295   3HG1  VAL  35          3HG1      VAL  35   6.503   2.850   5.698
  296   1HG2  VAL  35          1HG2      VAL  35   9.455   5.184   6.478
  297   2HG2  VAL  35          2HG2      VAL  35   8.979   6.399   5.253
  298   3HG2  VAL  35          3HG2      VAL  35   7.933   6.128   6.684
  299    H    ALA  36           H        ALA  36   7.497   3.674   1.930
  300    HA   ALA  36           HA       ALA  36   6.241   1.198   2.284
  301   1HB   ALA  36          1HB       ALA  36   5.683   1.324  -0.129
  302   2HB   ALA  36          2HB       ALA  36   5.415   2.920   0.659
  303   3HB   ALA  36          3HB       ALA  36   6.882   2.653  -0.351
  304    H    LYS  37           H        LYS  37   9.465   2.112   1.055
  305    HA   LYS  37           HA       LYS  37   9.902  -0.460  -0.154
  306   1HB   LYS  37          1HB       LYS  37  11.777   1.911   0.332
  307   2HB   LYS  37          2HB       LYS  37  12.251   0.382  -0.493
  308   1HG   LYS  37          1HG       LYS  37  10.512   0.708  -2.208
  309   2HG   LYS  37          2HG       LYS  37  10.004   2.262  -1.471
  310   1HD   LYS  37          1HD       LYS  37  12.882   1.708  -2.427
  311   2HD   LYS  37          2HD       LYS  37  11.612   2.303  -3.542
  312   1HE   LYS  37          1HE       LYS  37  12.458   3.810  -0.968
  313   2HE   LYS  37          2HE       LYS  37  13.114   4.137  -2.622
  314   1HZ   LYS  37          1HZ       LYS  37  10.866   4.596  -3.361
  315   2HZ   LYS  37          2HZ       LYS  37  10.265   4.352  -1.791
  316   3HZ   LYS  37          3HZ       LYS  37  11.348   5.623  -2.097
  317    H    ARG  38           H        ARG  38  11.217   1.316   2.757
  318    HA   ARG  38           HA       ARG  38  12.810  -0.928   3.464
  319   1HB   ARG  38          1HB       ARG  38  12.065   1.608   5.042
  320   2HB   ARG  38          2HB       ARG  38  13.216   0.361   5.637
  321   1HG   ARG  38          1HG       ARG  38  13.609   2.054   3.100
  322   2HG   ARG  38          2HG       ARG  38  14.398   2.299   4.699
  323   1HD   ARG  38          1HD       ARG  38  15.452   0.003   4.533
  324   2HD   ARG  38          2HD       ARG  38  14.696  -0.196   2.893
  325    HE   ARG  38           HE       ARG  38  16.325   2.227   3.067
  326   1HH1  ARG  38          1HH1      ARG  38  16.398  -1.344   2.649
  327   2HH1  ARG  38          2HH1      ARG  38  17.943  -1.366   1.891
  328   1HH2  ARG  38          1HH2      ARG  38  18.453   2.165   2.023
  329   2HH2  ARG  38          2HH2      ARG  38  19.128   0.658   1.527
  330    H    GLY  39           H        GLY  39   9.533   0.101   4.327
  331   1HA   GLY  39          1HA       GLY  39   8.100  -0.680   5.805
  332   2HA   GLY  39          2HA       GLY  39   9.397  -1.656   6.594
  333    H    GLY  40           H        GLY  40   9.233  -2.041   3.170
  334   1HA   GLY  40          1HA       GLY  40   8.425  -3.587   1.830
  335   2HA   GLY  40          2HA       GLY  40   7.287  -4.131   3.123
  336    H    GLU  41           H        GLU  41  10.751  -3.817   3.707
  337    HA   GLU  41           HA       GLU  41  11.433  -6.526   3.213
  338   1HB   GLU  41          1HB       GLU  41  12.840  -4.433   4.985
  339   2HB   GLU  41          2HB       GLU  41  13.538  -5.995   4.423
  340   1HG   GLU  41          1HG       GLU  41  13.400  -5.186   2.039
  341   2HG   GLU  41          2HG       GLU  41  12.723  -3.617   2.617
  342    H    LEU  42           H        LEU  42  10.428  -4.568   6.039
  343    HA   LEU  42           HA       LEU  42  10.884  -6.647   7.932
  344   1HB   LEU  42          1HB       LEU  42   9.386  -3.976   8.057
  345   2HB   LEU  42          2HB       LEU  42   9.538  -5.065   9.479
  346    HG   LEU  42           HG       LEU  42  11.954  -3.912   7.969
  347   1HD1  LEU  42          1HD1      LEU  42  10.563  -2.845  10.508
  348   2HD1  LEU  42          2HD1      LEU  42  12.145  -2.274   9.858
  349   3HD1  LEU  42          3HD1      LEU  42  10.640  -2.039   8.895
  350   1HD2  LEU  42          1HD2      LEU  42  11.700  -5.260  10.740
  351   2HD2  LEU  42          2HD2      LEU  42  12.489  -5.964   9.281
  352   3HD2  LEU  42          3HD2      LEU  42  13.196  -4.511  10.072
  353    H    TRP  43           H        TRP  43   8.114  -5.563   5.948
  354    HA   TRP  43           HA       TRP  43   6.180  -6.975   7.433
  355   1HB   TRP  43          1HB       TRP  43   5.464  -5.163   5.964
  356   2HB   TRP  43          2HB       TRP  43   6.199  -5.975   4.539
  357    HD1  TRP  43           HD1      TRP  43   4.686  -7.793   3.281
  358    HE1  TRP  43           HE1      TRP  43   2.308  -8.694   3.591
  359    HE3  TRP  43           HE3      TRP  43   3.658  -5.671   7.802
  360    HZ2  TRP  43           HZ2      TRP  43   0.238  -8.548   5.549
  361    HZ3  TRP  43           HZ3      TRP  43   1.492  -6.178   8.894
  362    HH2  TRP  43           HH2      TRP  43  -0.197  -7.560   7.776
  363    H    ARG  44           H        ARG  44   8.362  -7.792   4.749
  364    HA   ARG  44           HA       ARG  44   7.068  -9.994   3.773
  365   1HB   ARG  44          1HB       ARG  44   8.975  -8.712   2.710
  366   2HB   ARG  44          2HB       ARG  44  10.111  -9.536   3.822
  367   1HG   ARG  44          1HG       ARG  44   9.402 -11.757   2.815
  368   2HG   ARG  44          2HG       ARG  44   8.243 -10.868   1.760
  369   1HD   ARG  44          1HD       ARG  44  10.259  -9.572   0.777
  370   2HD   ARG  44          2HD       ARG  44  11.334 -10.656   1.738
  371    HE   ARG  44           HE       ARG  44  10.843 -12.446   0.296
  372   1HH1  ARG  44          1HH1      ARG  44   8.605  -9.735  -0.438
  373   2HH1  ARG  44          2HH1      ARG  44   8.125 -10.364  -1.967
  374   1HH2  ARG  44          1HH2      ARG  44  10.170 -13.282  -1.781
  375   2HH2  ARG  44          2HH2      ARG  44   9.029 -12.419  -2.742
  376    H    ALA  45           H        ALA  45   9.836  -9.913   6.129
  377    HA   ALA  45           HA       ALA  45   8.880 -12.503   7.169
  378   1HB   ALA  45          1HB       ALA  45  11.224 -12.913   7.961
  379   2HB   ALA  45          2HB       ALA  45  11.764 -11.425   7.089
  380   3HB   ALA  45          3HB       ALA  45  11.133 -12.835   6.164
  381    H    MET  46           H        MET  46   7.743 -11.987   8.965
  382    HA   MET  46           HA       MET  46   9.069 -10.317  10.943
  383   1HB   MET  46          1HB       MET  46   6.896  -9.319  11.664
  384   2HB   MET  46          2HB       MET  46   7.384  -8.772  10.052
  385   1HG   MET  46          1HG       MET  46   5.737 -10.022   8.913
  386   2HG   MET  46          2HG       MET  46   5.471 -11.138  10.281
  387   1HE   MET  46          1HE       MET  46   4.893  -7.564   8.846
  388   2HE   MET  46          2HE       MET  46   4.008  -6.707  10.143
  389   3HE   MET  46          3HE       MET  46   5.741  -7.118  10.369
  390    H    LYS  47           H        LYS  47   6.747 -10.756  12.723
  391    HA   LYS  47           HA       LYS  47   7.229 -13.528  13.381
  392   1HB   LYS  47          1HB       LYS  47   7.426 -11.603  15.064
  393   2HB   LYS  47          2HB       LYS  47   5.670 -11.359  14.931
  394   1HG   LYS  47          1HG       LYS  47   6.096 -12.641  16.917
  395   2HG   LYS  47          2HG       LYS  47   5.403 -13.814  15.746
  396   1HD   LYS  47          1HD       LYS  47   7.703 -14.662  15.236
  397   2HD   LYS  47          2HD       LYS  47   8.409 -13.400  16.310
  398   1HE   LYS  47          1HE       LYS  47   7.231 -14.439  18.292
  399   2HE   LYS  47          2HE       LYS  47   6.576 -15.734  17.206
  400   1HZ   LYS  47          1HZ       LYS  47   9.452 -15.143  17.692
  401   2HZ   LYS  47          2HZ       LYS  47   8.559 -16.416  18.372
  402   3HZ   LYS  47          3HZ       LYS  47   8.834 -16.371  16.696
  403    H    ASP  48           H        ASP  48   4.126 -12.010  14.197
  404    HA   ASP  48           HA       ASP  48   2.789 -13.634  12.127
  405   1HB   ASP  48          1HB       ASP  48   1.815 -12.802  14.940
  406   2HB   ASP  48          2HB       ASP  48   0.748 -13.473  13.654
  407    H    LYS  49           H        LYS  49   1.385 -12.539  10.806
  408    HA   LYS  49           HA       LYS  49   1.022  -9.657  11.277
  409   1HB   LYS  49          1HB       LYS  49   0.359  -9.615   8.806
  410   2HB   LYS  49          2HB       LYS  49   2.081  -9.836   9.150
  411   1HG   LYS  49          1HG       LYS  49   0.489 -12.387   8.826
  412   2HG   LYS  49          2HG       LYS  49   0.617 -11.348   7.377
  413   1HD   LYS  49          1HD       LYS  49   3.060 -12.301   8.987
  414   2HD   LYS  49          2HD       LYS  49   2.375 -13.145   7.553
  415   1HE   LYS  49          1HE       LYS  49   2.768 -11.087   6.138
  416   2HE   LYS  49          2HE       LYS  49   3.520 -10.263   7.561
  417   1HZ   LYS  49          1HZ       LYS  49   5.135 -12.097   7.627
  418   2HZ   LYS  49          2HZ       LYS  49   4.488 -12.707   6.180
  419   3HZ   LYS  49          3HZ       LYS  49   5.195 -11.161   6.215
  420    H    SER  50           H        SER  50  -0.397 -12.376  12.145
  421    HA   SER  50           HA       SER  50  -2.780 -12.647  10.881
  422   1HB   SER  50          1HB       SER  50  -2.164 -13.170  13.857
  423   2HB   SER  50          2HB       SER  50  -3.483 -13.946  12.891
  424    HG   SER  50           HG       SER  50  -1.537 -15.176  13.124
  425    H    GLU  51           H        GLU  51  -1.905 -10.305  13.385
  426    HA   GLU  51           HA       GLU  51  -4.452  -9.666  14.321
  427   1HB   GLU  51          1HB       GLU  51  -1.963  -7.856  14.070
  428   2HB   GLU  51          2HB       GLU  51  -3.372  -7.550  15.139
  429   1HG   GLU  51          1HG       GLU  51  -1.404  -9.937  15.405
  430   2HG   GLU  51          2HG       GLU  51  -1.336  -8.396  16.325
  431    H    TRP  52           H        TRP  52  -2.419  -8.371  11.679
  432    HA   TRP  52           HA       TRP  52  -4.186  -6.194  11.163
  433   1HB   TRP  52          1HB       TRP  52  -1.805  -7.153   9.477
  434   2HB   TRP  52          2HB       TRP  52  -2.553  -5.517   9.494
  435    HD1  TRP  52           HD1      TRP  52   0.409  -7.271  10.849
  436    HE1  TRP  52           HE1      TRP  52   1.409  -6.035  12.859
  437    HE3  TRP  52           HE3      TRP  52  -3.509  -4.151  11.851
  438    HZ2  TRP  52           HZ2      TRP  52   0.651  -3.908  14.617
  439    HZ3  TRP  52           HZ3      TRP  52  -3.317  -2.534  13.706
  440    HH2  TRP  52           HH2      TRP  52  -1.265  -2.411  15.069
  441    H    GLU  53           H        GLU  53  -3.482  -9.403   9.791
  442    HA   GLU  53           HA       GLU  53  -4.821  -9.034   7.344
  443   1HB   GLU  53          1HB       GLU  53  -4.140 -11.541   8.972
  444   2HB   GLU  53          2HB       GLU  53  -4.879 -11.603   7.330
  445   1HG   GLU  53          1HG       GLU  53  -2.937 -10.476   6.322
  446   2HG   GLU  53          2HG       GLU  53  -2.162 -10.263   7.931
  447    H    ALA  54           H        ALA  54  -5.843 -10.229  10.578
  448    HA   ALA  54           HA       ALA  54  -8.372 -11.119   9.764
  449   1HB   ALA  54          1HB       ALA  54  -7.296 -11.858  11.898
  450   2HB   ALA  54          2HB       ALA  54  -8.913 -11.134  12.212
  451   3HB   ALA  54          3HB       ALA  54  -7.412 -10.183  12.540
  452    H    LYS  55           H        LYS  55  -7.165  -7.992  11.049
  453    HA   LYS  55           HA       LYS  55  -9.707  -6.854  11.407
  454   1HB   LYS  55          1HB       LYS  55  -7.564  -6.216  12.575
  455   2HB   LYS  55          2HB       LYS  55  -7.002  -5.409  11.082
  456   1HG   LYS  55          1HG       LYS  55  -9.691  -4.680  12.405
  457   2HG   LYS  55          2HG       LYS  55  -8.141  -4.088  13.089
  458   1HD   LYS  55          1HD       LYS  55  -7.561  -2.963  10.974
  459   2HD   LYS  55          2HD       LYS  55  -9.107  -3.502  10.226
  460   1HE   LYS  55          1HE       LYS  55 -10.408  -2.209  11.938
  461   2HE   LYS  55          2HE       LYS  55  -8.864  -1.694  12.732
  462   1HZ   LYS  55          1HZ       LYS  55  -9.690  -1.062   9.945
  463   2HZ   LYS  55          2HZ       LYS  55  -9.741  -0.016  11.280
  464   3HZ   LYS  55          3HZ       LYS  55  -8.249  -0.578  10.701
  465    H    ALA  56           H        ALA  56  -7.242  -6.644   8.785
  466    HA   ALA  56           HA       ALA  56  -8.554  -4.734   7.232
  467   1HB   ALA  56          1HB       ALA  56  -7.041  -5.650   5.358
  468   2HB   ALA  56          2HB       ALA  56  -6.175  -5.181   6.858
  469   3HB   ALA  56          3HB       ALA  56  -6.505  -6.918   6.525
  470    H    ALA  57           H        ALA  57  -8.703  -8.331   7.245
  471    HA   ALA  57           HA       ALA  57 -10.104  -8.511   4.805
  472   1HB   ALA  57          1HB       ALA  57 -10.465 -10.906   5.432
  473   2HB   ALA  57          2HB       ALA  57  -9.882 -10.550   7.106
  474   3HB   ALA  57          3HB       ALA  57  -8.757 -10.415   5.707
  475    H    LYS  58           H        LYS  58 -11.083  -8.337   8.259
  476    HA   LYS  58           HA       LYS  58 -13.800  -8.937   7.711
  477   1HB   LYS  58          1HB       LYS  58 -12.614  -9.191  10.001
  478   2HB   LYS  58          2HB       LYS  58 -12.772  -7.415  10.161
  479   1HG   LYS  58          1HG       LYS  58 -15.378  -8.200   9.420
  480   2HG   LYS  58          2HG       LYS  58 -14.826  -9.618  10.363
  481   1HD   LYS  58          1HD       LYS  58 -14.332  -8.082  12.307
  482   2HD   LYS  58          2HD       LYS  58 -14.804  -6.675  11.282
  483   1HE   LYS  58          1HE       LYS  58 -17.130  -7.739  11.012
  484   2HE   LYS  58          2HE       LYS  58 -16.647  -8.974  12.241
  485   1HZ   LYS  58          1HZ       LYS  58 -16.245  -7.132  13.782
  486   2HZ   LYS  58          2HZ       LYS  58 -16.780  -6.028  12.600
  487   3HZ   LYS  58          3HZ       LYS  58 -17.851  -7.187  13.226
  488    H    ALA  59           H        ALA  59 -11.815  -5.949   7.932
  489    HA   ALA  59           HA       ALA  59 -13.960  -4.144   7.927
  490   1HB   ALA  59          1HB       ALA  59 -11.649  -3.469   8.613
  491   2HB   ALA  59          2HB       ALA  59 -12.270  -2.419   7.291
  492   3HB   ALA  59          3HB       ALA  59 -11.076  -3.723   6.925
  493    H    LYS  60           H        LYS  60 -12.376  -5.997   5.365
  494    HA   LYS  60           HA       LYS  60 -13.386  -4.410   3.241
  495   1HB   LYS  60          1HB       LYS  60 -11.352  -5.900   3.098
  496   2HB   LYS  60          2HB       LYS  60 -12.437  -7.322   3.059
  497   1HG   LYS  60          1HG       LYS  60 -12.685  -4.971   1.074
  498   2HG   LYS  60          2HG       LYS  60 -11.470  -6.268   0.841
  499   1HD   LYS  60          1HD       LYS  60 -13.191  -7.996   0.708
  500   2HD   LYS  60          2HD       LYS  60 -14.504  -6.808   0.977
  501   1HE   LYS  60          1HE       LYS  60 -12.545  -6.720  -1.413
  502   2HE   LYS  60          2HE       LYS  60 -14.196  -7.459  -1.460
  503   1HZ   LYS  60          1HZ       LYS  60 -13.768  -4.639  -0.659
  504   2HZ   LYS  60          2HZ       LYS  60 -13.924  -5.121  -2.281
  505   3HZ   LYS  60          3HZ       LYS  60 -15.192  -5.403  -1.198
  506    H    ASP  61           H        ASP  61 -14.429  -7.446   4.895
  507    HA   ASP  61           HA       ASP  61 -16.588  -7.918   3.197
  508   1HB   ASP  61          1HB       ASP  61 -15.500  -9.606   4.786
  509   2HB   ASP  61          2HB       ASP  61 -16.324  -8.777   6.151
  510    H    ASP  62           H        ASP  62 -16.288  -6.151   6.296
  511    HA   ASP  62           HA       ASP  62 -18.935  -5.563   6.780
  512   1HB   ASP  62          1HB       ASP  62 -16.370  -3.980   7.437
  513   2HB   ASP  62          2HB       ASP  62 -17.997  -3.505   8.046
  514    H    TYR  63           H        TYR  63 -16.474  -3.706   4.890
  515    HA   TYR  63           HA       TYR  63 -18.143  -1.551   4.280
  516   1HB   TYR  63          1HB       TYR  63 -15.632  -1.483   4.096
  517   2HB   TYR  63          2HB       TYR  63 -15.694  -2.662   2.749
  518    HD1  TYR  63           HD1      TYR  63 -17.175   0.709   3.725
  519    HD2  TYR  63           HD2      TYR  63 -15.636  -1.790   0.582
  520    HE1  TYR  63           HE1      TYR  63 -17.186   2.634   2.197
  521    HE2  TYR  63           HE2      TYR  63 -15.668   0.131  -0.962
  522    HH   TYR  63           HH       TYR  63 -16.007   2.359  -1.185
  523    H    ASP  64           H        ASP  64 -17.223  -4.473   2.370
  524    HA   ASP  64           HA       ASP  64 -18.314  -3.684   0.012
  525   1HB   ASP  64          1HB       ASP  64 -16.649  -5.645   0.636
  526   2HB   ASP  64          2HB       ASP  64 -18.117  -6.651   0.834
  527    H    ARG  65           H        ARG  65 -19.797  -5.620   2.640
  528    HA   ARG  65           HA       ARG  65 -22.151  -6.184   1.141
  529   1HB   ARG  65          1HB       ARG  65 -21.120  -7.624   3.008
  530   2HB   ARG  65          2HB       ARG  65 -21.762  -6.426   4.177
  531   1HG   ARG  65          1HG       ARG  65 -24.093  -6.882   3.244
  532   2HG   ARG  65          2HG       ARG  65 -23.368  -8.099   2.135
  533   1HD   ARG  65          1HD       ARG  65 -22.581  -9.433   4.149
  534   2HD   ARG  65          2HD       ARG  65 -23.371  -8.200   5.234
  535    HE   ARG  65           HE       ARG  65 -25.225  -9.222   3.219
  536   1HH1  ARG  65          1HH1      ARG  65 -23.718  -9.993   6.375
  537   2HH1  ARG  65          2HH1      ARG  65 -24.963 -11.082   6.864
  538   1HH2  ARG  65          1HH2      ARG  65 -26.891 -10.732   3.884
  539   2HH2  ARG  65          2HH2      ARG  65 -26.797 -11.513   5.418
  540    H    ALA  66           H        ALA  66 -21.107  -3.695   3.505
  541    HA   ALA  66           HA       ALA  66 -23.730  -2.869   4.149
  542   1HB   ALA  66          1HB       ALA  66 -21.898  -2.487   5.748
  543   2HB   ALA  66          2HB       ALA  66 -22.616  -0.912   5.267
  544   3HB   ALA  66          3HB       ALA  66 -21.044  -1.444   4.553
  545    H    VAL  67           H        VAL  67 -21.368  -1.814   1.635
  546    HA   VAL  67           HA       VAL  67 -22.818   0.575   1.094
  547    HB   VAL  67           HB       VAL  67 -21.464   0.821  -0.927
  548   1HG1  VAL  67          1HG1      VAL  67 -20.769   1.688   1.313
  549   2HG1  VAL  67          2HG1      VAL  67 -19.891   0.152   1.651
  550   3HG1  VAL  67          3HG1      VAL  67 -19.354   1.217   0.304
  551   1HG2  VAL  67          1HG2      VAL  67 -20.164  -1.861  -0.077
  552   2HG2  VAL  67          2HG2      VAL  67 -21.150  -1.590  -1.561
  553   3HG2  VAL  67          3HG2      VAL  67 -19.575  -0.752  -1.359
  554    H    LYS  68           H        LYS  68 -23.090  -2.777   0.125
  555    HA   LYS  68           HA       LYS  68 -24.721  -2.342  -2.146
  556   1HB   LYS  68          1HB       LYS  68 -23.456  -4.408  -1.899
  557   2HB   LYS  68          2HB       LYS  68 -24.266  -4.790  -0.357
  558   1HG   LYS  68          1HG       LYS  68 -26.192  -4.389  -2.606
  559   2HG   LYS  68          2HG       LYS  68 -24.998  -5.666  -2.954
  560   1HD   LYS  68          1HD       LYS  68 -25.754  -7.102  -1.350
  561   2HD   LYS  68          2HD       LYS  68 -26.196  -5.814  -0.186
  562   1HE   LYS  68          1HE       LYS  68 -27.849  -6.399  -2.736
  563   2HE   LYS  68          2HE       LYS  68 -28.181  -7.143  -1.118
  564   1HZ   LYS  68          1HZ       LYS  68 -28.078  -4.217  -1.640
  565   2HZ   LYS  68          2HZ       LYS  68 -29.495  -5.158  -1.572
  566   3HZ   LYS  68          3HZ       LYS  68 -28.511  -4.995  -0.198
  567    H    GLU  69           H        GLU  69 -25.288  -2.675   1.384
  568    HA   GLU  69           HA       GLU  69 -28.166  -2.690   0.995
  569   1HB   GLU  69          1HB       GLU  69 -26.434  -2.739   3.521
  570   2HB   GLU  69          2HB       GLU  69 -28.232  -2.834   3.500
  571   1HG   GLU  69          1HG       GLU  69 -28.155  -4.955   2.206
  572   2HG   GLU  69          2HG       GLU  69 -26.355  -4.883   2.148
  573    H    PHE  70           H        PHE  70 -25.895  -0.265   0.788
  574    HA   PHE  70           HA       PHE  70 -27.171   1.635   2.535
  575   1HB   PHE  70          1HB       PHE  70 -24.640   1.492   2.064
  576   2HB   PHE  70          2HB       PHE  70 -24.947   2.184   0.450
  577    HD1  PHE  70           HD1      PHE  70 -26.315   4.527   0.501
  578    HD2  PHE  70           HD2      PHE  70 -24.130   2.871   3.817
  579    HE1  PHE  70           HE1      PHE  70 -26.079   6.778   1.468
  580    HE2  PHE  70           HE2      PHE  70 -23.868   5.138   4.758
  581    HZ   PHE  70           HZ       PHE  70 -24.850   7.094   3.602
  582    H    GLU  71           H        GLU  71 -26.317   1.760  -0.992
  583    HA   GLU  71           HA       GLU  71 -28.770   3.328  -1.439
  584   1HB   GLU  71          1HB       GLU  71 -27.461   4.423  -3.283
  585   2HB   GLU  71          2HB       GLU  71 -26.764   4.694  -1.659
  586   1HG   GLU  71          1HG       GLU  71 -25.055   2.866  -2.076
  587   2HG   GLU  71          2HG       GLU  71 -25.744   2.641  -3.730
  588    H    ALA  72           H        ALA  72 -27.979   0.259  -1.692
  589    HA   ALA  72           HA       ALA  72 -28.482  -1.421  -2.957
  590   1HB   ALA  72          1HB       ALA  72 -30.070  -1.402  -4.816
  591   2HB   ALA  72          2HB       ALA  72 -30.014   0.396  -4.883
  592   3HB   ALA  72          3HB       ALA  72 -30.707  -0.430  -3.441
  593    H    ASN  73           H        ASN  73 -26.017  -0.836  -3.086
  594    HA   ASN  73           HA       ASN  73 -25.216  -0.395  -5.862
  595   1HB   ASN  73          1HB       ASN  73 -24.306   0.997  -3.833
  596   2HB   ASN  73          2HB       ASN  73 -23.381  -0.461  -3.380
  597   2HD2  ASN  73          2HD2      ASN  73 -21.778   1.539  -3.755
  598   1HD2  ASN  73          1HD2      ASN  73 -21.028   1.609  -5.315
  599    H    GLY  74           H        GLY  74 -22.591  -1.879  -4.738
  600   1HA   GLY  74          1HA       GLY  74 -22.929  -4.240  -5.998
  601   2HA   GLY  74          2HA       GLY  74 -23.302  -4.509  -4.239

  No H/Q in entry =         601