*HEADER    SURFACE ACTIVE PROTEIN                  08-FEB-06   2FYL              
*TITLE     HADDOCK MODEL OF THE COMPLEX BETWEEN DOUBLE MODULE OF LRP,            
*TITLE    2 CR56, AND FIRST DOMAIN OF RECEPTOR ASSOCIATED PROTEIN, RAP-          
*TITLE    3 D1.                                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-2-MACROGLOBULIN RECEPTOR-ASSOCIATED                  
*COMPND   3 PROTEIN;                                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: RAPD1;                                                     
*COMPND   6 SYNONYM: ALPHA-2- MRAP, LOW DENSITY LIPOPROTEIN RECEPTOR-            
*COMPND   7 RELATED PROTEIN-ASSOCIATED PROTEIN 1, RAP;                           
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MOL_ID: 2;                                                           
*COMPND  10 MOLECULE: LOW-DENSITY LIPOPROTEIN RECEPTOR-RELATED PROTEIN           
*COMPND  11 1;                                                                   
*COMPND  12 CHAIN: B;                                                            
*COMPND  13 FRAGMENT: CR56;                                                      
*COMPND  14 SYNONYM: LRP, ALPHA-2-MACROGLOBULIN RECEPTOR;                        
*COMPND  15 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: LRPAP1, A2MRAP;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 MOL_ID: 2;                                                           
*SOURCE   8 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   9 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  10 GENE: LRP1;                                                          
*SOURCE  11 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  12 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    COMPLEX, SHIFT-MAPPING, HADDOCK, NMR, INTERFACE                       
*EXPDTA    NMR                                                                   
*AUTHOR    G.A.JENSEN, O.M.ANDERSEN, A.M.BONVIN, I.BJERRUM-BOHR,                 
*AUTHOR   2 M.ETZERODT, C.O'SHEA, F.M.POULSEN, B.B.KRAGELUND                     
*REVDAT   1   10-OCT-06 2FYL    0                                                


!
! HADDOCK AIR restraints for 1st molecule
!
!
assign ( resid 21  and segid A)
       (
        ( resid 13  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 22  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 26  and segid B)
     or
        ( resid 27  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 29  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 33  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 38  and segid B)
     or
        ( resid 39  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 66  and segid B)
     or
        ( resid 67  and segid B)
     or
        ( resid 72  and segid B)
     or
        ( resid 42  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 56  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 60  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 63  and segid B)
     or
        ( resid 64  and segid B)
     or
        ( resid 65  and segid B)
     or
        ( resid 68  and segid B)
     or
        ( resid 71  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 81  and segid B)
     or
        ( resid 82  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 24  and segid A)
       (
        ( resid 13  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 22  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 26  and segid B)
     or
        ( resid 27  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 29  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 33  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 38  and segid B)
     or
        ( resid 39  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 66  and segid B)
     or
        ( resid 67  and segid B)
     or
        ( resid 72  and segid B)
     or
        ( resid 42  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 56  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 60  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 63  and segid B)
     or
        ( resid 64  and segid B)
     or
        ( resid 65  and segid B)
     or
        ( resid 68  and segid B)
     or
        ( resid 71  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 81  and segid B)
     or
        ( resid 82  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 33  and segid A)
       (
        ( resid 13  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 22  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 26  and segid B)
     or
        ( resid 27  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 29  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 33  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 38  and segid B)
     or
        ( resid 39  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 66  and segid B)
     or
        ( resid 67  and segid B)
     or
        ( resid 72  and segid B)
     or
        ( resid 42  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 56  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 60  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 63  and segid B)
     or
        ( resid 64  and segid B)
     or
        ( resid 65  and segid B)
     or
        ( resid 68  and segid B)
     or
        ( resid 71  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 81  and segid B)
     or
        ( resid 82  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 35  and segid A)
       (
        ( resid 13  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 22  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 26  and segid B)
     or
        ( resid 27  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 29  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 33  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 38  and segid B)
     or
        ( resid 39  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 66  and segid B)
     or
        ( resid 67  and segid B)
     or
        ( resid 72  and segid B)
     or
        ( resid 42  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 56  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 60  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 63  and segid B)
     or
        ( resid 64  and segid B)
     or
        ( resid 65  and segid B)
     or
        ( resid 68  and segid B)
     or
        ( resid 71  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 81  and segid B)
     or
        ( resid 82  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 36  and segid A)
       (
        ( resid 13  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 22  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 26  and segid B)
     or
        ( resid 27  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 29  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 33  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 38  and segid B)
     or
        ( resid 39  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 66  and segid B)
     or
        ( resid 67  and segid B)
     or
        ( resid 72  and segid B)
     or
        ( resid 42  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 56  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 60  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 63  and segid B)
     or
        ( resid 64  and segid B)
     or
        ( resid 65  and segid B)
     or
        ( resid 68  and segid B)
     or
        ( resid 71  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 81  and segid B)
     or
        ( resid 82  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 63  and segid A)
       (
        ( resid 13  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 22  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 26  and segid B)
     or
        ( resid 27  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 29  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 33  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 38  and segid B)
     or
        ( resid 39  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 66  and segid B)
     or
        ( resid 67  and segid B)
     or
        ( resid 72  and segid B)
     or
        ( resid 42  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 56  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 60  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 63  and segid B)
     or
        ( resid 64  and segid B)
     or
        ( resid 65  and segid B)
     or
        ( resid 68  and segid B)
     or
        ( resid 71  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 81  and segid B)
     or
        ( resid 82  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 64  and segid A)
       (
        ( resid 13  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 22  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 26  and segid B)
     or
        ( resid 27  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 29  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 33  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 38  and segid B)
     or
        ( resid 39  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 66  and segid B)
     or
        ( resid 67  and segid B)
     or
        ( resid 72  and segid B)
     or
        ( resid 42  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 56  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 60  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 63  and segid B)
     or
        ( resid 64  and segid B)
     or
        ( resid 65  and segid B)
     or
        ( resid 68  and segid B)
     or
        ( resid 71  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 81  and segid B)
     or
        ( resid 82  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 65  and segid A)
       (
        ( resid 13  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 22  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 26  and segid B)
     or
        ( resid 27  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 29  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 33  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 38  and segid B)
     or
        ( resid 39  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 66  and segid B)
     or
        ( resid 67  and segid B)
     or
        ( resid 72  and segid B)
     or
        ( resid 42  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 56  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 60  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 63  and segid B)
     or
        ( resid 64  and segid B)
     or
        ( resid 65  and segid B)
     or
        ( resid 68  and segid B)
     or
        ( resid 71  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 81  and segid B)
     or
        ( resid 82  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 74  and segid A)
       (
        ( resid 13  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 22  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 26  and segid B)
     or
        ( resid 27  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 29  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 33  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 38  and segid B)
     or
        ( resid 39  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 66  and segid B)
     or
        ( resid 67  and segid B)
     or
        ( resid 72  and segid B)
     or
        ( resid 42  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 56  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 60  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 63  and segid B)
     or
        ( resid 64  and segid B)
     or
        ( resid 65  and segid B)
     or
        ( resid 68  and segid B)
     or
        ( resid 71  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 81  and segid B)
     or
        ( resid 82  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 91  and segid A)
       (
        ( resid 13  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 22  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 26  and segid B)
     or
        ( resid 27  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 29  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 33  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 38  and segid B)
     or
        ( resid 39  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 66  and segid B)
     or
        ( resid 67  and segid B)
     or
        ( resid 72  and segid B)
     or
        ( resid 42  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 56  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 60  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 63  and segid B)
     or
        ( resid 64  and segid B)
     or
        ( resid 65  and segid B)
     or
        ( resid 68  and segid B)
     or
        ( resid 71  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 81  and segid B)
     or
        ( resid 82  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 92  and segid A)
       (
        ( resid 13  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 22  and segid B)
     or
        ( resid 30  and segid B)
     or
        ( resid 37  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 26  and segid B)
     or
        ( resid 27  and segid B)
     or
        ( resid 28  and segid B)
     or
        ( resid 29  and segid B)
     or
        ( resid 31  and segid B)
     or
        ( resid 32  and segid B)
     or
        ( resid 33  and segid B)
     or
        ( resid 34  and segid B)
     or
        ( resid 36  and segid B)
     or
        ( resid 38  and segid B)
     or
        ( resid 39  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 66  and segid B)
     or
        ( resid 67  and segid B)
     or
        ( resid 72  and segid B)
     or
        ( resid 42  and segid B)
     or
        ( resid 48  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 55  and segid B)
     or
        ( resid 56  and segid B)
     or
        ( resid 57  and segid B)
     or
        ( resid 60  and segid B)
     or
        ( resid 62  and segid B)
     or
        ( resid 63  and segid B)
     or
        ( resid 64  and segid B)
     or
        ( resid 65  and segid B)
     or
        ( resid 68  and segid B)
     or
        ( resid 71  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
     or
        ( resid 77  and segid B)
     or
        ( resid 78  and segid B)
     or
        ( resid 79  and segid B)
     or
        ( resid 80  and segid B)
     or
        ( resid 81  and segid B)
     or
        ( resid 82  and segid B)
       )  2.0 2.0 0.0
!
! HADDOCK AIR restraints for 2nd molecule
!
!
! HADDOCK AIR restraints for 3rd molecule
!
!
! HADDOCK AIR restraints for 4th molecule
!
!
! HADDOCK AIR restraints for 5th molecule
!
!
! HADDOCK AIR restraints for 6th molecule
!
!
! HADDOCK AIR restraints for 1st molecule
!
!
! HADDOCK AIR restraints for 2nd molecule
!
!
assign ( resid 13  and segid B)
       (
        ( resid 21  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 36  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 74  and segid A)
     or
        ( resid 91  and segid A)
     or
        ( resid 92  and segid A)
     or
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 41  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 61  and segid A)
     or
        ( resid 62  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 71  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 78  and segid A)
     or
        ( resid 81  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 93  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 17  and segid B)
       (
        ( resid 21  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 36  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 74  and segid A)
     or
        ( resid 91  and segid A)
     or
        ( resid 92  and segid A)
     or
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 41  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 61  and segid A)
     or
        ( resid 62  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 71  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 78  and segid A)
     or
        ( resid 81  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 93  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 22  and segid B)
       (
        ( resid 21  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 36  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 74  and segid A)
     or
        ( resid 91  and segid A)
     or
        ( resid 92  and segid A)
     or
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 41  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 61  and segid A)
     or
        ( resid 62  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 71  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 78  and segid A)
     or
        ( resid 81  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 93  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 30  and segid B)
       (
        ( resid 21  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 36  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 74  and segid A)
     or
        ( resid 91  and segid A)
     or
        ( resid 92  and segid A)
     or
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 41  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 61  and segid A)
     or
        ( resid 62  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 71  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 78  and segid A)
     or
        ( resid 81  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 93  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 37  and segid B)
       (
        ( resid 21  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 36  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 74  and segid A)
     or
        ( resid 91  and segid A)
     or
        ( resid 92  and segid A)
     or
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 41  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 61  and segid A)
     or
        ( resid 62  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 71  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 78  and segid A)
     or
        ( resid 81  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 93  and segid A)
       )  2.0 2.0 0.0
!
! HADDOCK AIR restraints for 3rd molecule
!
!
! HADDOCK AIR restraints for 4th molecule
!
!
! HADDOCK AIR restraints for 5th molecule
!
!
! HADDOCK AIR restraints for 6th molecule
!
!
! HADDOCK AIR restraints for 1st molecule
!
!
! HADDOCK AIR restraints for 2nd molecule
!
!
! HADDOCK AIR restraints for 3rd molecule
!
!
assign ( resid 49  and segid B)
       (
        ( resid 21  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 36  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 74  and segid A)
     or
        ( resid 91  and segid A)
     or
        ( resid 92  and segid A)
     or
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 41  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 61  and segid A)
     or
        ( resid 62  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 71  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 78  and segid A)
     or
        ( resid 81  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 93  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 66  and segid B)
       (
        ( resid 21  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 36  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 74  and segid A)
     or
        ( resid 91  and segid A)
     or
        ( resid 92  and segid A)
     or
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 41  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 61  and segid A)
     or
        ( resid 62  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 71  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 78  and segid A)
     or
        ( resid 81  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 93  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 67  and segid B)
       (
        ( resid 21  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 36  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 74  and segid A)
     or
        ( resid 91  and segid A)
     or
        ( resid 92  and segid A)
     or
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 41  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 61  and segid A)
     or
        ( resid 62  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 71  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 78  and segid A)
     or
        ( resid 81  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 93  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 72  and segid B)
       (
        ( resid 21  and segid A)
     or
        ( resid 24  and segid A)
     or
        ( resid 33  and segid A)
     or
        ( resid 35  and segid A)
     or
        ( resid 36  and segid A)
     or
        ( resid 63  and segid A)
     or
        ( resid 64  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 74  and segid A)
     or
        ( resid 91  and segid A)
     or
        ( resid 92  and segid A)
     or
        ( resid 17  and segid A)
     or
        ( resid 18  and segid A)
     or
        ( resid 19  and segid A)
     or
        ( resid 20  and segid A)
     or
        ( resid 22  and segid A)
     or
        ( resid 23  and segid A)
     or
        ( resid 27  and segid A)
     or
        ( resid 28  and segid A)
     or
        ( resid 30  and segid A)
     or
        ( resid 31  and segid A)
     or
        ( resid 34  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 41  and segid A)
     or
        ( resid 60  and segid A)
     or
        ( resid 61  and segid A)
     or
        ( resid 62  and segid A)
     or
        ( resid 65  and segid A)
     or
        ( resid 66  and segid A)
     or
        ( resid 69  and segid A)
     or
        ( resid 70  and segid A)
     or
        ( resid 71  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 78  and segid A)
     or
        ( resid 81  and segid A)
     or
        ( resid 82  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 93  and segid A)
       )  2.0 2.0 0.0
!
! HADDOCK AIR restraints for 4th molecule
!
!
! HADDOCK AIR restraints for 5th molecule
!
!
! HADDOCK AIR restraints for 6th molecule
!
assign (name O and resid 41 and segid B) (name N and resid 42 and segid B) 2.25 0.05 0.05
assign (name C and resid 41 and segid B) (name N and resid 42 and segid B) 1.35 0.05 0.05
assign (name C and resid 41 and segid B) (name CA and resid 42 and segid B) 2.45 0.05 0.05
assign (name CA and resid 41 and segid B) (name N and resid 42 and segid B) 2.45 0.05 0.05assign (resid 2 and segid B and name HA ) (resid 3 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 2 and segid B and name HB# ) (resid 3 and segid B and name HA ) 4.0 2.2 1.5
assign (resid 3 and segid B and name HN ) (resid 3 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 3 and segid B and name HA ) (resid 3 and segid B and name HD# ) 4.0 2.2 1.0
assign (resid 3 and segid B and name HG# ) (resid 4 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 3 and segid B and name HG# ) (resid 14 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 4 and segid B and name HA ) (resid 5 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 4 and segid B and name HB ) (resid 5 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 4 and segid B and name HB ) (resid 11 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 4 and segid B and name HG2# ) (resid 5 and segid B and name HN ) 4.0 2.2 1.5
assign (resid 5 and segid B and name HN ) (resid 11 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 5 and segid B and name HA ) (resid 6 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 5 and segid B and name HA ) (resid 17 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 5 and segid B and name HB# ) (resid 6 and segid B and name HD# ) 4.0 2.2 1.0
assign (resid 5 and segid B and name HB# ) (resid 9 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 5 and segid B and name HB# ) (resid 9 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 5 and segid B and name HB# ) (resid 11 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 5 and segid B and name HB# ) (resid 12 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 5 and segid B and name HB# ) (resid 17 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 5 and segid B and name HB# ) (resid 18 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HB# ) (resid 7 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HB# ) (resid 7 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HB# ) (resid 9 and segid B and name HE21 ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HB# ) (resid 9 and segid B and name HE22 ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HG# ) (resid 9 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HG# ) (resid 9 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HG# ) (resid 9 and segid B and name HE21 ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HG# ) (resid 9 and segid B and name HE22 ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HD# ) (resid 9 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HD# ) (resid 9 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HD# ) (resid 9 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HD# ) (resid 9 and segid B and name HE21 ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HD# ) (resid 9 and segid B and name HE22 ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HD# ) (resid 10 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 6 and segid B and name HD# ) (resid 17 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 8 and segid B and name HA ) (resid 8 and segid B and name HD22 ) 4.0 2.2 1.0
assign (resid 8 and segid B and name HA ) (resid 9 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 8 and segid B and name HA ) (resid 9 and segid B and name HE22 ) 4.0 2.2 1.0
assign (resid 8 and segid B and name HA ) (resid 20 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 8 and segid B and name HB# ) (resid 20 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 8 and segid B and name HD21 ) (resid 19 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 8 and segid B and name HD22 ) (resid 9 and segid B and name HE22 ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HN ) (resid 9 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HN ) (resid 9 and segid B and name HE22 ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HN ) (resid 10 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HN ) (resid 19 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HN ) (resid 20 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HN ) (resid 20 and segid B and name HB ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HN ) (resid 20 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 9 and segid B and name HN ) (resid 20 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HN ) (resid 20 and segid B and name HD# ) 4.0 2.2 1.4
assign (resid 9 and segid B and name HA ) (resid 9 and segid B and name HE22 ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HA ) (resid 10 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 9 and segid B and name HA ) (resid 20 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 9 and segid B and name HB# ) (resid 9 and segid B and name HE21 ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HB# ) (resid 9 and segid B and name HE22 ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HB# ) (resid 10 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HB# ) (resid 17 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HB# ) (resid 18 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HB# ) (resid 19 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HB# ) (resid 20 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HG# ) (resid 10 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HG# ) (resid 10 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HG# ) (resid 11 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 9 and segid B and name HG# ) (resid 17 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HG# ) (resid 20 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HE21 ) (resid 19 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HE21 ) (resid 19 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 9 and segid B and name HE22 ) (resid 19 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HN ) (resid 17 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HN ) (resid 18 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HN ) (resid 18 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 10 and segid B and name HN ) (resid 18 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HN ) (resid 19 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HN ) (resid 20 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HN ) (resid 20 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HA ) (resid 11 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 10 and segid B and name HB# ) (resid 18 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 10 and segid B and name HB# ) (resid 18 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HB# ) (resid 18 and segid B and name HD# ) 4.0 2.2 1.4
assign (resid 10 and segid B and name HB# ) (resid 20 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HB# ) (resid 20 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HB# ) (resid 20 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HB# ) (resid 23 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 10 and segid B and name HD# ) (resid 11 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HD# ) (resid 12 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HD# ) (resid 18 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HD# ) (resid 18 and segid B and name HG2# ) 3.0 1.2 0.8
assign (resid 10 and segid B and name HD# ) (resid 18 and segid B and name HG1# ) 3.0 1.2 0.3
assign (resid 10 and segid B and name HD# ) (resid 18 and segid B and name HD# ) 3.0 1.2 0.7
assign (resid 10 and segid B and name HD# ) (resid 20 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HD# ) (resid 20 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HD# ) (resid 20 and segid B and name HD# ) 3.0 1.2 0.7
assign (resid 10 and segid B and name HD# ) (resid 23 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HD# ) (resid 23 and segid B and name HG2# ) 3.0 1.2 0.8
assign (resid 10 and segid B and name HD# ) (resid 35 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HE# ) (resid 13 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HE# ) (resid 18 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 10 and segid B and name HE# ) (resid 18 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HE# ) (resid 18 and segid B and name HD# ) 4.0 2.2 1.4
assign (resid 10 and segid B and name HE# ) (resid 23 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 10 and segid B and name HE# ) (resid 35 and segid B and name HA ) 4.5 2.7 1.5
assign (resid 10 and segid B and name HE# ) (resid 35 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HE# ) (resid 39 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HZ ) (resid 13 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HZ ) (resid 35 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 10 and segid B and name HZ ) (resid 35 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 11 and segid B and name HN ) (resid 11 and segid B and name HA ) 2.4 0.6 0.3
assign (resid 11 and segid B and name HN ) (resid 17 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 11 and segid B and name HN ) (resid 18 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 11 and segid B and name HN ) (resid 18 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 11 and segid B and name HA ) (resid 12 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 11 and segid B and name HA ) (resid 16 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 11 and segid B and name HA ) (resid 17 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 11 and segid B and name HB# ) (resid 18 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 12 and segid B and name HN ) (resid 12 and segid B and name HA ) 2.4 0.6 0.3
assign (resid 12 and segid B and name HN ) (resid 16 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 12 and segid B and name HN ) (resid 16 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 12 and segid B and name HN ) (resid 16 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 12 and segid B and name HN ) (resid 17 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 12 and segid B and name HN ) (resid 17 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 12 and segid B and name HA ) (resid 13 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 12 and segid B and name HB# ) (resid 13 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 12 and segid B and name HB# ) (resid 14 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 12 and segid B and name HB# ) (resid 15 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 12 and segid B and name HB# ) (resid 16 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 12 and segid B and name HB# ) (resid 17 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 12 and segid B and name HB# ) (resid 30 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 13 and segid B and name HN ) (resid 14 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 13 and segid B and name HA ) (resid 14 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 13 and segid B and name HA ) (resid 14 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 13 and segid B and name HA ) (resid 14 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 13 and segid B and name HA ) (resid 15 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 13 and segid B and name HB# ) (resid 14 and segid B and name HA ) 4.0 2.2 1.5
assign (resid 13 and segid B and name HB# ) (resid 14 and segid B and name HB# ) 4.0 2.2 1.5
assign (resid 13 and segid B and name HB# ) (resid 15 and segid B and name HN ) 4.0 2.2 1.5
assign (resid 13 and segid B and name HB# ) (resid 15 and segid B and name HA# ) 4.0 2.2 1.5
assign (resid 13 and segid B and name HB# ) (resid 16 and segid B and name HN ) 4.0 2.2 1.5
assign (resid 13 and segid B and name HB# ) (resid 16 and segid B and name HD# ) 3.0 1.2 0.8
assign (resid 14 and segid B and name HN ) (resid 15 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 14 and segid B and name HN ) (resid 15 and segid B and name HA# ) 4.0 2.2 1.0
assign (resid 14 and segid B and name HN ) (resid 16 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 15 and segid B and name HN ) (resid 16 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 16 and segid B and name HN ) (resid 16 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 16 and segid B and name HN ) (resid 16 and segid B and name HD# ) 4.0 2.2 1.0
assign (resid 16 and segid B and name HN ) (resid 17 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 16 and segid B and name HN ) (resid 18 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 16 and segid B and name HA ) (resid 16 and segid B and name HD# ) 4.0 2.2 1.0
assign (resid 16 and segid B and name HA ) (resid 17 and segid B and name HN ) 2.4 0.6 0.3
assign (resid 16 and segid B and name HA ) (resid 17 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 16 and segid B and name HG# ) (resid 17 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 16 and segid B and name HG# ) (resid 18 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 16 and segid B and name HD# ) (resid 17 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 16 and segid B and name HD# ) (resid 18 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 17 and segid B and name HN ) (resid 18 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 17 and segid B and name HN ) (resid 18 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 17 and segid B and name HN ) (resid 18 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 17 and segid B and name HA ) (resid 18 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 17 and segid B and name HA ) (resid 18 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 17 and segid B and name HA ) (resid 18 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 17 and segid B and name HB# ) (resid 18 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 18 and segid B and name HN ) (resid 18 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 18 and segid B and name HN ) (resid 18 and segid B and name HD# ) 3.0 1.2 0.7
assign (resid 18 and segid B and name HB ) (resid 29 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 18 and segid B and name HG2# ) (resid 22 and segid B and name HE3 ) 4.0 2.2 1.5
assign (resid 18 and segid B and name HG2# ) (resid 23 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 18 and segid B and name HG2# ) (resid 29 and segid B and name HB# ) 4.0 2.2 1.5
assign (resid 18 and segid B and name HG1# ) (resid 22 and segid B and name HE3 ) 4.0 2.2 1.0
assign (resid 18 and segid B and name HG1# ) (resid 23 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 18 and segid B and name HD# ) (resid 22 and segid B and name HN ) 4.0 2.2 1.4
assign (resid 18 and segid B and name HD# ) (resid 22 and segid B and name HB# ) 4.0 2.2 1.4
assign (resid 18 and segid B and name HD# ) (resid 22 and segid B and name HE3 ) 4.0 2.2 1.4
assign (resid 18 and segid B and name HD# ) (resid 22 and segid B and name HE1 ) 4.0 2.2 1.4
assign (resid 18 and segid B and name HD# ) (resid 23 and segid B and name HG2# ) 3.0 1.2 0.7
assign (resid 18 and segid B and name HD# ) (resid 29 and segid B and name HN ) 4.0 2.2 1.4
assign (resid 18 and segid B and name HD# ) (resid 29 and segid B and name HB# ) 4.0 2.2 1.4
assign (resid 18 and segid B and name HD# ) (resid 30 and segid B and name HN ) 4.0 2.2 1.4
assign (resid 18 and segid B and name HD# ) (resid 35 and segid B and name HB# ) 4.0 2.2 1.4
assign (resid 19 and segid B and name HA ) (resid 20 and segid B and name HN ) 2.4 0.6 0.3
assign (resid 19 and segid B and name HA ) (resid 20 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 19 and segid B and name HB# ) (resid 20 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 19 and segid B and name HB# ) (resid 22 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 19 and segid B and name HB# ) (resid 22 and segid B and name HD1 ) 4.0 2.2 1.0
assign (resid 19 and segid B and name HB# ) (resid 22 and segid B and name HE1 ) 4.0 2.2 1.0
assign (resid 19 and segid B and name HB# ) (resid 22 and segid B and name HZ2 ) 4.0 2.2 1.0
assign (resid 20 and segid B and name HN ) (resid 20 and segid B and name HB ) 3.0 1.2 0.3
assign (resid 20 and segid B and name HN ) (resid 20 and segid B and name HG2# ) 3.0 1.2 0.8
assign (resid 20 and segid B and name HN ) (resid 20 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 20 and segid B and name HN ) (resid 20 and segid B and name HD# ) 4.0 2.2 1.4
assign (resid 20 and segid B and name HN ) (resid 23 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 20 and segid B and name HA ) (resid 20 and segid B and name HD# ) 3.0 1.2 0.7
assign (resid 20 and segid B and name HA ) (resid 22 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 20 and segid B and name HA ) (resid 23 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 20 and segid B and name HA ) (resid 23 and segid B and name HG2# ) 3.0 1.2 0.8
assign (resid 20 and segid B and name HB ) (resid 21 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 20 and segid B and name HB ) (resid 22 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 20 and segid B and name HB ) (resid 23 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 20 and segid B and name HG2# ) (resid 21 and segid B and name HA ) 4.0 2.2 1.5
assign (resid 20 and segid B and name HG2# ) (resid 21 and segid B and name HB# ) 4.0 2.2 1.5
assign (resid 20 and segid B and name HG1# ) (resid 23 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 21 and segid B and name HA ) (resid 22 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 21 and segid B and name HB# ) (resid 22 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 21 and segid B and name HB# ) (resid 22 and segid B and name HD1 ) 4.0 2.2 1.0
assign (resid 22 and segid B and name HN ) (resid 22 and segid B and name HD1 ) 3.0 1.2 0.3
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assign (resid 22 and segid B and name HN ) (resid 23 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 22 and segid B and name HA ) (resid 22 and segid B and name HD1 ) 4.0 2.2 1.0
assign (resid 22 and segid B and name HA ) (resid 23 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 22 and segid B and name HB# ) (resid 23 and segid B and name HN ) 4.0 2.2 1.0
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assign (resid 23 and segid B and name HN ) (resid 23 and segid B and name HG2# ) 3.0 1.2 0.8
assign (resid 23 and segid B and name HN ) (resid 24 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 23 and segid B and name HA ) (resid 24 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 23 and segid B and name HA ) (resid 35 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 23 and segid B and name HB ) (resid 24 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 23 and segid B and name HB ) (resid 35 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 23 and segid B and name HB ) (resid 35 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 23 and segid B and name HG2# ) (resid 24 and segid B and name HN ) 4.0 2.2 1.5
assign (resid 23 and segid B and name HG2# ) (resid 35 and segid B and name HA ) 4.0 2.2 1.5
assign (resid 23 and segid B and name HG2# ) (resid 35 and segid B and name HB# ) 4.0 2.2 1.5
assign (resid 24 and segid B and name HN ) (resid 24 and segid B and name HA ) 2.4 0.6 0.3
assign (resid 24 and segid B and name HN ) (resid 35 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 24 and segid B and name HA ) (resid 40 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 24 and segid B and name HB# ) (resid 40 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 24 and segid B and name HB# ) (resid 40 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 25 and segid B and name HN ) (resid 26 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 25 and segid B and name HN ) (resid 26 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 25 and segid B and name HN ) (resid 26 and segid B and name HD* ) 4.0 2.2 1.5
assign (resid 25 and segid B and name HN ) (resid 27 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 26 and segid B and name HN ) (resid 26 and segid B and name HG ) 4.0 2.2 1.0
assign (resid 26 and segid B and name HN ) (resid 26 and segid B and name HD* ) 4.0 2.2 1.5
assign (resid 26 and segid B and name HN ) (resid 27 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 26 and segid B and name HN ) (resid 27 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 26 and segid B and name HB# ) (resid 27 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 26 and segid B and name HB# ) (resid 27 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 26 and segid B and name HG ) (resid 27 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 26 and segid B and name HD* ) (resid 27 and segid B and name HN ) 4.0 2.2 1.5
assign (resid 29 and segid B and name HN ) (resid 30 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 29 and segid B and name HA ) (resid 30 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 30 and segid B and name HN ) (resid 31 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 30 and segid B and name HN ) (resid 31 and segid B and name HA# ) 4.0 2.2 1.0
assign (resid 30 and segid B and name HN ) (resid 32 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 30 and segid B and name HB# ) (resid 31 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 30 and segid B and name HB# ) (resid 32 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 30 and segid B and name HB# ) (resid 33 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 30 and segid B and name HB# ) (resid 33 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 30 and segid B and name HB# ) (resid 33 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 30 and segid B and name HB# ) (resid 34 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 30 and segid B and name HB# ) (resid 35 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 31 and segid B and name HN ) (resid 32 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 31 and segid B and name HN ) (resid 35 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 32 and segid B and name HN ) (resid 33 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 32 and segid B and name HN ) (resid 33 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 32 and segid B and name HN ) (resid 33 and segid B and name HG# ) 4.5 2.7 1.5
assign (resid 32 and segid B and name HN ) (resid 34 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 32 and segid B and name HN ) (resid 35 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 32 and segid B and name HN ) (resid 35 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 32 and segid B and name HN ) (resid 36 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 33 and segid B and name HN ) (resid 33 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 33 and segid B and name HN ) (resid 34 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 33 and segid B and name HA ) (resid 35 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 33 and segid B and name HG# ) (resid 34 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 33 and segid B and name HG# ) (resid 35 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 34 and segid B and name HN ) (resid 35 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 34 and segid B and name HN ) (resid 35 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 34 and segid B and name HN ) (resid 36 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 34 and segid B and name HA ) (resid 36 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 34 and segid B and name HB# ) (resid 36 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 35 and segid B and name HN ) (resid 36 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 35 and segid B and name HA ) (resid 36 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 35 and segid B and name HA ) (resid 37 and segid B and name HN ) 4.0 2.2 1.0
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assign (resid 36 and segid B and name HA ) (resid 37 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 36 and segid B and name HG# ) (resid 37 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 37 and segid B and name HN ) (resid 40 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 37 and segid B and name HA ) (resid 40 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 38 and segid B and name HA ) (resid 40 and segid B and name HN ) 4.0 2.2 1.0
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assign (resid 38 and segid B and name HB# ) (resid 39 and segid B and name HB# ) 4.0 2.2 1.5
assign (resid 38 and segid B and name HB# ) (resid 40 and segid B and name HN ) 4.0 2.2 1.5
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assign (resid 44 and segid B and name HB ) (resid 45 and segid B and name HN ) 4.0 2.2 1.0
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assign (resid 44 and segid B and name HG2# ) (resid 46 and segid B and name HN ) 4.0 2.2 1.5
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assign (resid 45 and segid B and name HA ) (resid 46 and segid B and name HN ) 3.0 1.2 0.3
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assign (resid 45 and segid B and name HB# ) (resid 46 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 45 and segid B and name HB# ) (resid 47 and segid B and name HD# ) 4.0 2.2 1.0
assign (resid 45 and segid B and name HB# ) (resid 50 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 45 and segid B and name HB# ) (resid 50 and segid B and name HG# ) 4.0 2.2 1.0
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assign (resid 45 and segid B and name HB# ) (resid 58 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 45 and segid B and name HB# ) (resid 58 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 46 and segid B and name HN ) (resid 47 and segid B and name HD# ) 4.0 2.2 1.0
assign (resid 46 and segid B and name HN ) (resid 50 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 46 and segid B and name HN ) (resid 50 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 46 and segid B and name HB# ) (resid 47 and segid B and name HD# ) 4.0 2.2 1.0
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assign (resid 46 and segid B and name HB# ) (resid 49 and segid B and name HN ) 4.0 2.2 1.0
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assign (resid 46 and segid B and name HB# ) (resid 50 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 46 and segid B and name HB# ) (resid 50 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 46 and segid B and name HD# ) (resid 47 and segid B and name HD# ) 4.0 2.2 1.0
assign (resid 46 and segid B and name HD# ) (resid 48 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 46 and segid B and name HD# ) (resid 48 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 46 and segid B and name HD# ) (resid 48 and segid B and name HG ) 4.0 2.2 1.0
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assign (resid 46 and segid B and name HD# ) (resid 49 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 46 and segid B and name HD# ) (resid 49 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 46 and segid B and name HD# ) (resid 50 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 46 and segid B and name HE# ) (resid 48 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 46 and segid B and name HE# ) (resid 48 and segid B and name HG ) 4.0 2.2 1.0
assign (resid 46 and segid B and name HE# ) (resid 48 and segid B and name HD* ) 4.0 2.2 1.5
assign (resid 46 and segid B and name HE# ) (resid 49 and segid B and name HG2# ) 4.0 2.2 1.5
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assign (resid 47 and segid B and name HB# ) (resid 48 and segid B and name HD* ) 4.0 2.2 1.5
assign (resid 48 and segid B and name HN ) (resid 48 and segid B and name HG ) 4.0 2.2 1.0
assign (resid 48 and segid B and name HN ) (resid 48 and segid B and name HD* ) 4.0 2.2 1.5
assign (resid 48 and segid B and name HN ) (resid 49 and segid B and name HN ) 4.0 2.2 1.0
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assign (resid 48 and segid B and name HB# ) (resid 49 and segid B and name HN ) 4.0 2.2 1.0
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assign (resid 48 and segid B and name HD* ) (resid 49 and segid B and name HN ) 4.0 2.2 1.5
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assign (resid 49 and segid B and name HG2# ) (resid 50 and segid B and name HN ) 4.0 2.2 1.5
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assign (resid 50 and segid B and name HN ) (resid 61 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 50 and segid B and name HN ) (resid 61 and segid B and name HB ) 4.0 2.2 1.0
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assign (resid 52 and segid B and name HN ) (resid 53 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 52 and segid B and name HN ) (resid 58 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 52 and segid B and name HN ) (resid 59 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 52 and segid B and name HA ) (resid 53 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 52 and segid B and name HA ) (resid 53 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 52 and segid B and name HB ) (resid 53 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 52 and segid B and name HB ) (resid 59 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 52 and segid B and name HG2# ) (resid 53 and segid B and name HN ) 4.0 2.2 1.5
assign (resid 52 and segid B and name HG2# ) (resid 56 and segid B and name HN ) 4.0 2.2 1.5
assign (resid 52 and segid B and name HG2# ) (resid 56 and segid B and name HA# ) 4.5 2.7 1.5
assign (resid 52 and segid B and name HG2# ) (resid 57 and segid B and name HN ) 4.0 2.2 1.5
assign (resid 52 and segid B and name HG2# ) (resid 58 and segid B and name HA ) 4.0 2.2 1.5
assign (resid 53 and segid B and name HN ) (resid 54 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 53 and segid B and name HN ) (resid 57 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 53 and segid B and name HN ) (resid 57 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 53 and segid B and name HN ) (resid 57 and segid B and name HG# ) 4.5 2.7 1.5
assign (resid 53 and segid B and name HN ) (resid 58 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 53 and segid B and name HN ) (resid 59 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 53 and segid B and name HN ) (resid 59 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 53 and segid B and name HA ) (resid 57 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 53 and segid B and name HA ) (resid 57 and segid B and name HD# ) 4.0 2.2 1.0
assign (resid 53 and segid B and name HA ) (resid 59 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 53 and segid B and name HB# ) (resid 54 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 53 and segid B and name HB# ) (resid 54 and segid B and name HD21 ) 4.0 2.2 1.0
assign (resid 53 and segid B and name HB# ) (resid 55 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 53 and segid B and name HB# ) (resid 56 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 53 and segid B and name HB# ) (resid 57 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 53 and segid B and name HB# ) (resid 57 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 54 and segid B and name HN ) (resid 54 and segid B and name HD21 ) 4.0 2.2 1.0
assign (resid 54 and segid B and name HN ) (resid 54 and segid B and name HD22 ) 4.0 2.2 1.0
assign (resid 54 and segid B and name HN ) (resid 55 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 54 and segid B and name HN ) (resid 56 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 54 and segid B and name HN ) (resid 75 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 54 and segid B and name HN ) (resid 75 and segid B and name HA ) 4.5 2.7 1.5
assign (resid 54 and segid B and name HN ) (resid 75 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 54 and segid B and name HA ) (resid 54 and segid B and name HD21 ) 4.0 2.2 1.0
assign (resid 54 and segid B and name HA ) (resid 54 and segid B and name HD22 ) 4.0 2.2 1.0
assign (resid 54 and segid B and name HA ) (resid 56 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 54 and segid B and name HB# ) (resid 75 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 54 and segid B and name HD21 ) (resid 75 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 54 and segid B and name HD22 ) (resid 75 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 55 and segid B and name HN ) (resid 55 and segid B and name HA ) 2.4 0.6 0.3
assign (resid 55 and segid B and name HN ) (resid 55 and segid B and name HD21 ) 4.0 2.2 1.0
assign (resid 55 and segid B and name HN ) (resid 56 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 55 and segid B and name HN ) (resid 57 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 55 and segid B and name HN ) (resid 57 and segid B and name HD# ) 4.0 2.2 1.0
assign (resid 55 and segid B and name HN ) (resid 73 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 55 and segid B and name HA ) (resid 55 and segid B and name HD21 ) 4.0 2.2 1.0
assign (resid 55 and segid B and name HA ) (resid 55 and segid B and name HD22 ) 4.0 2.2 1.0
assign (resid 55 and segid B and name HB# ) (resid 57 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 55 and segid B and name HD21 ) (resid 57 and segid B and name HD# ) 4.5 2.7 1.5
assign (resid 55 and segid B and name HD21 ) (resid 73 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 55 and segid B and name HD21 ) (resid 73 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 55 and segid B and name HD22 ) (resid 73 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 56 and segid B and name HN ) (resid 57 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 56 and segid B and name HN ) (resid 57 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 56 and segid B and name HN ) (resid 57 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 56 and segid B and name HN ) (resid 57 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 56 and segid B and name HA# ) (resid 57 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 57 and segid B and name HN ) (resid 57 and segid B and name HB# ) 2.4 0.6 0.3
assign (resid 57 and segid B and name HN ) (resid 57 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 57 and segid B and name HN ) (resid 57 and segid B and name HD# ) 3.0 1.2 0.3
assign (resid 57 and segid B and name HN ) (resid 58 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 57 and segid B and name HN ) (resid 58 and segid B and name HA ) 4.5 2.7 1.5
assign (resid 57 and segid B and name HA ) (resid 57 and segid B and name HD# ) 4.0 2.2 1.0
assign (resid 57 and segid B and name HA ) (resid 58 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 57 and segid B and name HA ) (resid 58 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 57 and segid B and name HG# ) (resid 58 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 57 and segid B and name HG# ) (resid 58 and segid B and name HB# ) 4.5 2.7 1.5
assign (resid 57 and segid B and name HD# ) (resid 58 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 58 and segid B and name HN ) (resid 59 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 58 and segid B and name HN ) (resid 59 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 58 and segid B and name HA ) (resid 59 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 58 and segid B and name HA ) (resid 59 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 58 and segid B and name HB# ) (resid 59 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 59 and segid B and name HN ) (resid 59 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 59 and segid B and name HN ) (resid 59 and segid B and name HD# ) 4.0 2.2 1.4
assign (resid 59 and segid B and name HA ) (resid 60 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 59 and segid B and name HB ) (resid 60 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 59 and segid B and name HB ) (resid 63 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 59 and segid B and name HB ) (resid 63 and segid B and name HE3 ) 4.0 2.2 1.0
assign (resid 59 and segid B and name HG2# ) (resid 63 and segid B and name HB# ) 4.0 2.2 1.5
assign (resid 59 and segid B and name HG2# ) (resid 63 and segid B and name HE3 ) 3.0 1.2 0.8
assign (resid 59 and segid B and name HG2# ) (resid 70 and segid B and name HB# ) 4.0 2.2 1.5
assign (resid 59 and segid B and name HG2# ) (resid 71 and segid B and name HN ) 4.0 2.2 1.5
assign (resid 59 and segid B and name HG1# ) (resid 60 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 59 and segid B and name HG1# ) (resid 63 and segid B and name HE3 ) 4.0 2.2 1.0
assign (resid 59 and segid B and name HD# ) (resid 60 and segid B and name HN ) 4.0 2.2 1.4
assign (resid 59 and segid B and name HD# ) (resid 63 and segid B and name HN ) 4.0 2.2 1.4
assign (resid 59 and segid B and name HD# ) (resid 63 and segid B and name HA ) 4.0 2.2 1.4
assign (resid 59 and segid B and name HD# ) (resid 63 and segid B and name HB# ) 3.0 1.2 0.7
assign (resid 59 and segid B and name HD# ) (resid 63 and segid B and name HD1 ) 4.0 2.2 1.4
assign (resid 59 and segid B and name HD# ) (resid 63 and segid B and name HE3 ) 3.0 1.2 0.7
assign (resid 59 and segid B and name HD# ) (resid 64 and segid B and name HN ) 4.0 2.2 1.4
assign (resid 59 and segid B and name HD# ) (resid 64 and segid B and name HA ) 4.5 2.7 1.5
assign (resid 59 and segid B and name HD# ) (resid 70 and segid B and name HN ) 4.0 2.2 1.4
assign (resid 59 and segid B and name HD# ) (resid 70 and segid B and name HB# ) 3.0 1.2 0.7
assign (resid 59 and segid B and name HD# ) (resid 71 and segid B and name HN ) 4.0 2.2 1.4
assign (resid 59 and segid B and name HD# ) (resid 76 and segid B and name HN ) 4.0 2.2 1.4
assign (resid 59 and segid B and name HD# ) (resid 76 and segid B and name HA ) 4.5 2.7 1.5
assign (resid 59 and segid B and name HD# ) (resid 76 and segid B and name HB# ) 4.0 2.2 1.4
assign (resid 60 and segid B and name HN ) (resid 61 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 60 and segid B and name HN ) (resid 63 and segid B and name HE3 ) 4.0 2.2 1.0
assign (resid 60 and segid B and name HN ) (resid 63 and segid B and name HZ3 ) 4.5 2.7 1.5
assign (resid 60 and segid B and name HA ) (resid 61 and segid B and name HB ) 4.5 2.7 1.5
assign (resid 60 and segid B and name HA ) (resid 61 and segid B and name HG2# ) 4.0 2.2 1.5
assign (resid 60 and segid B and name HA ) (resid 62 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 60 and segid B and name HB# ) (resid 62 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 60 and segid B and name HB# ) (resid 63 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 60 and segid B and name HB# ) (resid 63 and segid B and name HD1 ) 4.5 2.7 1.5
assign (resid 60 and segid B and name HB# ) (resid 63 and segid B and name HE1 ) 4.5 2.7 1.5
assign (resid 60 and segid B and name HB# ) (resid 63 and segid B and name HZ2 ) 4.0 2.2 1.0
assign (resid 61 and segid B and name HN ) (resid 61 and segid B and name HB ) 2.4 0.6 0.3
assign (resid 61 and segid B and name HN ) (resid 61 and segid B and name HG2# ) 2.4 0.6 0.8
assign (resid 61 and segid B and name HN ) (resid 61 and segid B and name HG1# ) 4.0 2.2 1.0
assign (resid 61 and segid B and name HN ) (resid 61 and segid B and name HD# ) 4.0 2.2 1.4
assign (resid 61 and segid B and name HN ) (resid 62 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 61 and segid B and name HA ) (resid 61 and segid B and name HD# ) 3.0 1.2 0.7
assign (resid 61 and segid B and name HA ) (resid 62 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 61 and segid B and name HA ) (resid 63 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 61 and segid B and name HA ) (resid 64 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 61 and segid B and name HB ) (resid 62 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 61 and segid B and name HG2# ) (resid 62 and segid B and name HN ) 3.0 1.2 0.8
assign (resid 61 and segid B and name HG2# ) (resid 62 and segid B and name HB# ) 4.0 2.2 1.5
assign (resid 61 and segid B and name HG2# ) (resid 62 and segid B and name HD21 ) 4.0 2.2 1.5
assign (resid 61 and segid B and name HG2# ) (resid 62 and segid B and name HD22 ) 4.0 2.2 1.5
assign (resid 61 and segid B and name HG2# ) (resid 63 and segid B and name HN ) 4.0 2.2 1.5
assign (resid 61 and segid B and name HG1# ) (resid 62 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 61 and segid B and name HD# ) (resid 62 and segid B and name HN ) 4.0 2.2 1.4
assign (resid 61 and segid B and name HD# ) (resid 64 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 62 and segid B and name HN ) (resid 62 and segid B and name HD21 ) 4.0 2.2 1.0
assign (resid 62 and segid B and name HN ) (resid 62 and segid B and name HD22 ) 4.5 2.7 1.5
assign (resid 62 and segid B and name HN ) (resid 63 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 62 and segid B and name HN ) (resid 63 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 62 and segid B and name HN ) (resid 63 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 62 and segid B and name HN ) (resid 63 and segid B and name HD1 ) 4.0 2.2 1.0
assign (resid 62 and segid B and name HN ) (resid 64 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 62 and segid B and name HA ) (resid 63 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 62 and segid B and name HA ) (resid 64 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 62 and segid B and name HB# ) (resid 63 and segid B and name HD1 ) 4.5 2.7 1.5
assign (resid 63 and segid B and name HN ) (resid 63 and segid B and name HD1 ) 4.0 2.2 1.0
assign (resid 63 and segid B and name HN ) (resid 64 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 63 and segid B and name HN ) (resid 64 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 63 and segid B and name HN ) (resid 64 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 63 and segid B and name HA ) (resid 63 and segid B and name HD1 ) 4.5 2.7 1.5
assign (resid 63 and segid B and name HA ) (resid 63 and segid B and name HE3 ) 4.0 2.2 1.0
assign (resid 63 and segid B and name HB# ) (resid 64 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 63 and segid B and name HD1 ) (resid 64 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 63 and segid B and name HE3 ) (resid 70 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 64 and segid B and name HN ) (resid 64 and segid B and name HB# ) 2.4 0.6 0.3
assign (resid 64 and segid B and name HN ) (resid 64 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 64 and segid B and name HN ) (resid 64 and segid B and name HD# ) 4.0 2.2 1.0
assign (resid 64 and segid B and name HN ) (resid 65 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 64 and segid B and name HA ) (resid 64 and segid B and name HD# ) 4.0 2.2 1.0
assign (resid 64 and segid B and name HA ) (resid 65 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 64 and segid B and name HA ) (resid 76 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 64 and segid B and name HB# ) (resid 76 and segid B and name HB# ) 4.5 2.7 1.5
assign (resid 64 and segid B and name HG# ) (resid 65 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 64 and segid B and name HD# ) (resid 65 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 64 and segid B and name HD# ) (resid 76 and segid B and name HA ) 4.5 2.7 1.5
assign (resid 65 and segid B and name HN ) (resid 66 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 65 and segid B and name HA ) (resid 66 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 65 and segid B and name HB# ) (resid 66 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 66 and segid B and name HN ) (resid 67 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 66 and segid B and name HN ) (resid 67 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 66 and segid B and name HN ) (resid 68 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 67 and segid B and name HN ) (resid 67 and segid B and name HA ) 2.4 0.6 0.3
assign (resid 67 and segid B and name HN ) (resid 67 and segid B and name HD22 ) 4.5 2.7 1.5
assign (resid 67 and segid B and name HN ) (resid 68 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 67 and segid B and name HA ) (resid 67 and segid B and name HD21 ) 4.0 2.2 1.0
assign (resid 67 and segid B and name HA ) (resid 67 and segid B and name HD22 ) 4.0 2.2 1.0
assign (resid 68 and segid B and name HN ) (resid 68 and segid B and name HB# ) 2.4 0.6 0.3
assign (resid 70 and segid B and name HN ) (resid 71 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 70 and segid B and name HB# ) (resid 71 and segid B and name HA ) 4.0 2.2 1.0
assign (resid 71 and segid B and name HN ) (resid 72 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 71 and segid B and name HN ) (resid 72 and segid B and name HA# ) 4.5 2.7 1.5
assign (resid 71 and segid B and name HN ) (resid 75 and segid B and name HB# ) 4.0 2.2 1.0
assign (resid 71 and segid B and name HN ) (resid 76 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 71 and segid B and name HB# ) (resid 72 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 71 and segid B and name HB# ) (resid 73 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 71 and segid B and name HB# ) (resid 74 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 72 and segid B and name HN ) (resid 73 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 72 and segid B and name HN ) (resid 74 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 72 and segid B and name HA# ) (resid 74 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 73 and segid B and name HN ) (resid 74 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 73 and segid B and name HN ) (resid 75 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 74 and segid B and name HN ) (resid 74 and segid B and name HA ) 2.4 0.6 0.3
assign (resid 74 and segid B and name HN ) (resid 74 and segid B and name HD21 ) 4.0 2.2 1.0
assign (resid 74 and segid B and name HN ) (resid 75 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 74 and segid B and name HN ) (resid 75 and segid B and name HB# ) 4.5 2.7 1.5
assign (resid 74 and segid B and name HA ) (resid 74 and segid B and name HD21 ) 4.0 2.2 1.0
assign (resid 74 and segid B and name HA ) (resid 74 and segid B and name HD22 ) 4.0 2.2 1.0
assign (resid 74 and segid B and name HA ) (resid 75 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 75 and segid B and name HN ) (resid 76 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 75 and segid B and name HN ) (resid 77 and segid B and name HN ) 4.5 2.7 1.5
assign (resid 75 and segid B and name HN ) (resid 78 and segid B and name HB# ) 4.0 2.2 1.5
assign (resid 75 and segid B and name HA ) (resid 76 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 75 and segid B and name HA ) (resid 77 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 75 and segid B and name HB# ) (resid 77 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 75 and segid B and name HB# ) (resid 78 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 75 and segid B and name HB# ) (resid 78 and segid B and name HB# ) 4.0 2.2 1.5
assign (resid 76 and segid B and name HN ) (resid 77 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 76 and segid B and name HN ) (resid 78 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 76 and segid B and name HB# ) (resid 77 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 77 and segid B and name HN ) (resid 77 and segid B and name HG# ) 4.0 2.2 1.0
assign (resid 77 and segid B and name HN ) (resid 78 and segid B and name HN ) 2.4 0.6 0.3
assign (resid 77 and segid B and name HN ) (resid 78 and segid B and name HB# ) 4.0 2.2 1.5
assign (resid 77 and segid B and name HA ) (resid 78 and segid B and name HN ) 3.0 1.2 0.3
assign (resid 77 and segid B and name HG# ) (resid 78 and segid B and name HN ) 4.0 2.2 1.0
assign (resid 82 and segid B and name HA ) (resid 82 and segid B and name HD2 ) 4.0 2.2 1.0
! site 1
assign (resid   22 and segid B and name O    )(resid   25 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   22 and segid B and name O    )(resid   27 and segid B and name O    )   6.98  3.20  1.00
assign (resid   22 and segid B and name O    )(resid   29 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   22 and segid B and name O    )(resid   35 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   22 and segid B and name O    )(resid   36 and segid B and name OE1  )   4.94  3.14  1.00
assign (resid   25 and segid B and name OD1  )(resid   27 and segid B and name O    )   4.94  3.14  1.00
assign (resid   25 and segid B and name OD1  )(resid   29 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   25 and segid B and name OD1  )(resid   35 and segid B and name OD1  )   6.98  3.20  1.00
assign (resid   25 and segid B and name OD1  )(resid   36 and segid B and name OE1  )   4.94  3.14  1.00
assign (resid   27 and segid B and name O    )(resid   29 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   27 and segid B and name O    )(resid   35 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   27 and segid B and name O    )(resid   36 and segid B and name OE1  )   4.94  3.14  1.00
assign (resid   29 and segid B and name OD1  )(resid   35 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   29 and segid B and name OD1  )(resid   36 and segid B and name OE1  )   6.98  3.20  1.00
assign (resid   35 and segid B and name OD1  )(resid   36 and segid B and name OE1  )   4.94  3.14  1.00
! site 2
assign (resid   63 and segid B and name O    )(resid   66 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   63 and segid B and name O    )(resid   68 and segid B and name O    )   6.98  3.20  1.00
assign (resid   63 and segid B and name O    )(resid   70 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   63 and segid B and name O    )(resid   76 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   63 and segid B and name O    )(resid   77 and segid B and name OE1  )   4.94  3.14  1.00
assign (resid   66 and segid B and name OD1  )(resid   68 and segid B and name O    )   4.94  3.14  1.00
assign (resid   66 and segid B and name OD1  )(resid   70 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   66 and segid B and name OD1  )(resid   76 and segid B and name OD1  )   6.98  3.20  1.00
assign (resid   66 and segid B and name OD1  )(resid   77 and segid B and name OE1  )   4.94  3.14  1.00
assign (resid   68 and segid B and name O    )(resid   70 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   68 and segid B and name O    )(resid   76 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   68 and segid B and name O    )(resid   77 and segid B and name OE1  )   4.94  3.14  1.00
assign (resid   70 and segid B and name OD1  )(resid   76 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   70 and segid B and name OD1  )(resid   77 and segid B and name OE1  )   6.98  3.20  1.00
assign (resid   76 and segid B and name OD1  )(resid   77 and segid B and name OE1  )   4.94  3.14  1.00
!Calcium restraints for CR56
!site 1 (CR5)
assign (resid   22 and   segid B   and   name O     )(resid  83 and   segid B   and   name "CA+2"   )  2.5 0.8 0.3
assign (resid   25 and   segid B   and   name OD1   )(resid  83 and   segid B   and   name "CA+2"   )  2.5 0.8 0.3
assign (resid   27 and   segid B   and   name O     )(resid  83 and   segid B   and   name "CA+2"   )  2.5 0.8 0.3
assign (resid   29 and   segid B   and   name OD1   )(resid  83 and   segid B   and   name "CA+2"   )  2.5 0.8 0.3
assign (resid   35 and   segid B   and   name OD1   )(resid  83 and   segid B   and   name "CA+2"   )  2.5 0.8 0.3
assign (resid   36 and   segid B   and   name OE1   )(resid  83 and   segid B   and   name "CA+2"   )  2.5 0.8 0.3
!site 2 (CR6)
assign (resid   63 and   segid B   and   name O     )(resid  84 and   segid B   and   name "CA+2"   )  2.5 0.8 0.3
assign (resid   66 and   segid B   and   name OD1   )(resid  84 and   segid B   and   name "CA+2"   )  2.5 0.8 0.3
assign (resid   68 and   segid B   and   name O     )(resid  84 and   segid B   and   name "CA+2"   )  2.5 0.8 0.3
assign (resid   70 and   segid B   and   name OD1   )(resid  84 and   segid B   and   name "CA+2"   )  2.5 0.8 0.3
assign (resid   76 and   segid B   and   name OD1   )(resid  84 and   segid B   and   name "CA+2"   )  2.5 0.8 0.3
assign (resid   77 and   segid B   and   name OE1   )(resid  84 and   segid B   and   name "CA+2"   )  2.5 0.8 0.3
! site 1
assign (resid   22 and segid B and name O    )(resid   25 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   22 and segid B and name O    )(resid   27 and segid B and name O    )   6.98  3.20  1.00
assign (resid   22 and segid B and name O    )(resid   29 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   22 and segid B and name O    )(resid   35 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   22 and segid B and name O    )(resid   36 and segid B and name OE1  )   4.94  3.14  1.00
assign (resid   25 and segid B and name OD1  )(resid   27 and segid B and name O    )   4.94  3.14  1.00
assign (resid   25 and segid B and name OD1  )(resid   29 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   25 and segid B and name OD1  )(resid   35 and segid B and name OD1  )   6.98  3.20  1.00
assign (resid   25 and segid B and name OD1  )(resid   36 and segid B and name OE1  )   4.94  3.14  1.00
assign (resid   27 and segid B and name O    )(resid   29 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   27 and segid B and name O    )(resid   35 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   27 and segid B and name O    )(resid   36 and segid B and name OE1  )   4.94  3.14  1.00
assign (resid   29 and segid B and name OD1  )(resid   35 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   29 and segid B and name OD1  )(resid   36 and segid B and name OE1  )   6.98  3.20  1.00
assign (resid   35 and segid B and name OD1  )(resid   36 and segid B and name OE1  )   4.94  3.14  1.00
! site 2
assign (resid   63 and segid B and name O    )(resid   66 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   63 and segid B and name O    )(resid   68 and segid B and name O    )   6.98  3.20  1.00
assign (resid   63 and segid B and name O    )(resid   70 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   63 and segid B and name O    )(resid   76 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   63 and segid B and name O    )(resid   77 and segid B and name OE1  )   4.94  3.14  1.00
assign (resid   66 and segid B and name OD1  )(resid   68 and segid B and name O    )   4.94  3.14  1.00
assign (resid   66 and segid B and name OD1  )(resid   70 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   66 and segid B and name OD1  )(resid   76 and segid B and name OD1  )   6.98  3.20  1.00
assign (resid   66 and segid B and name OD1  )(resid   77 and segid B and name OE1  )   4.94  3.14  1.00
assign (resid   68 and segid B and name O    )(resid   70 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   68 and segid B and name O    )(resid   76 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   68 and segid B and name O    )(resid   77 and segid B and name OE1  )   4.94  3.14  1.00
assign (resid   70 and segid B and name OD1  )(resid   76 and segid B and name OD1  )   4.94  3.14  1.00
assign (resid   70 and segid B and name OD1  )(resid   77 and segid B and name OE1  )   6.98  3.20  1.00
assign (resid   76 and segid B and name OD1  )(resid   77 and segid B and name OE1  )   4.94  3.14  1.00
  Entry H atom name         Submitted Coord H atom name
    1   1H    GLY  17          HT1       GLY  17  -1.510   0.036 -13.217
    2   2H    GLY  17          HT2       GLY  17  -2.741  -0.460 -14.266
    3   3H    GLY  17          HT3       GLY  17  -2.194   1.146 -14.303
    4   1HA   GLY  17          HA1       GLY  17  -0.649  -1.262 -15.091
    5   2HA   GLY  17          HA2       GLY  17  -1.294  -0.035 -16.173
    6    H    GLU  18           HN       GLU  18   0.056   1.526 -16.767
    7    HA   GLU  18           HA       GLU  18   2.695   1.646 -15.700
    8   1HB   GLU  18          HB2       GLU  18   1.232   3.366 -17.701
    9   2HB   GLU  18          HB1       GLU  18   2.905   3.651 -17.248
   10   1HG   GLU  18          HG2       GLU  18   2.977   2.426 -19.246
   11   2HG   GLU  18          HG1       GLU  18   3.376   1.278 -17.969
   12    H    GLU  19           HN       GLU  19  -0.244   3.492 -15.246
   13    HA   GLU  19           HA       GLU  19   1.077   5.570 -13.737
   14   1HB   GLU  19          HB2       GLU  19  -1.661   5.688 -13.156
   15   2HB   GLU  19          HB1       GLU  19  -0.790   6.669 -14.320
   16   1HG   GLU  19          HG2       GLU  19  -2.595   5.804 -15.511
   17   2HG   GLU  19          HG1       GLU  19  -1.229   4.803 -15.991
   18    H    PHE  20           HN       PHE  20  -1.269   3.011 -13.036
   19    HA   PHE  20           HA       PHE  20  -0.603   3.165 -10.194
   20   1HB   PHE  20          HB2       PHE  20  -2.853   1.979 -11.775
   21   2HB   PHE  20          HB1       PHE  20  -2.498   1.329 -10.179
   22    HD1  PHE  20           HD1      PHE  20  -1.943   4.878 -10.864
   23    HD2  PHE  20           HD2      PHE  20  -4.686   1.986  -9.374
   24    HE1  PHE  20           HE1      PHE  20  -3.270   6.673  -9.837
   25    HE2  PHE  20           HE2      PHE  20  -6.020   3.778  -8.341
   26    HZ   PHE  20           HZ       PHE  20  -5.311   6.127  -8.574
   27    H    ARG  21           HN       ARG  21   1.486   2.237 -10.307
   28    HA   ARG  21           HA       ARG  21   1.629  -0.564 -11.163
   29   1HB   ARG  21          HB2       ARG  21   3.538   1.639 -11.012
   30   2HB   ARG  21          HB1       ARG  21   4.156   0.175 -10.258
   31   1HG   ARG  21          HG2       ARG  21   3.127   0.411 -13.081
   32   2HG   ARG  21          HG1       ARG  21   4.818   0.321 -12.595
   33   1HD   ARG  21          HD2       ARG  21   2.764  -1.831 -12.075
   34   2HD   ARG  21          HD1       ARG  21   3.893  -1.834 -13.424
   35    HE   ARG  21           HE       ARG  21   5.685  -1.850 -11.659
   36   1HH1  ARG  21          HH11      ARG  21   2.494  -3.178 -11.072
   37   2HH1  ARG  21          HH12      ARG  21   3.029  -4.261  -9.835
   38   1HH2  ARG  21          HH21      ARG  21   6.402  -3.337 -10.051
   39   2HH2  ARG  21          HH22      ARG  21   5.245  -4.361  -9.259
   40    H    MET  22           HN       MET  22   0.251   0.374  -8.733
   41    HA   MET  22           HA       MET  22   1.712  -1.300  -6.825
   42   1HB   MET  22          HB2       MET  22   1.349   1.488  -6.568
   43   2HB   MET  22          HB1       MET  22   0.261   0.728  -5.409
   44   1HG   MET  22          HG2       MET  22   3.235   0.361  -5.635
   45   2HG   MET  22          HG1       MET  22   2.343   1.138  -4.326
   46   1HE   MET  22          HE1       MET  22   4.468  -1.634  -4.778
   47   2HE   MET  22          HE2       MET  22   4.006  -2.485  -3.303
   48   3HE   MET  22          HE3       MET  22   4.322  -0.749  -3.260
   49    H    GLU  23           HN       GLU  23   0.515  -2.883  -6.066
   50    HA   GLU  23           HA       GLU  23  -2.151  -3.266  -6.874
   51   1HB   GLU  23          HB2       GLU  23  -0.702  -4.703  -4.655
   52   2HB   GLU  23          HB1       GLU  23  -2.121  -5.272  -5.521
   53   1HG   GLU  23          HG2       GLU  23   0.724  -5.209  -6.361
   54   2HG   GLU  23          HG1       GLU  23  -0.499  -6.456  -6.594
   55    H    LYS  24           HN       LYS  24  -0.843  -1.701  -4.076
   56    HA   LYS  24           HA       LYS  24  -2.968  -2.031  -2.289
   57   1HB   LYS  24          HB2       LYS  24  -2.182   0.224  -1.348
   58   2HB   LYS  24          HB1       LYS  24  -1.021  -1.094  -1.370
   59   1HG   LYS  24          HG2       LYS  24  -0.021  -0.155  -3.415
   60   2HG   LYS  24          HG1       LYS  24  -1.162   1.186  -3.341
   61   1HD   LYS  24          HD2       LYS  24   0.843   1.996  -2.379
   62   2HD   LYS  24          HD1       LYS  24  -0.238   1.666  -1.025
   63   1HE   LYS  24          HE2       LYS  24   0.969  -0.182  -0.339
   64   2HE   LYS  24          HE1       LYS  24   1.666  -0.449  -1.935
   65   1HZ   LYS  24          HZ1       LYS  24   3.248   1.198  -1.617
   66   2HZ   LYS  24          HZ2       LYS  24   3.145   0.498  -0.077
   67   3HZ   LYS  24          HZ3       LYS  24   2.365   1.972  -0.386
   68    H    LEU  25           HN       LEU  25  -2.455   0.454  -4.768
   69    HA   LEU  25           HA       LEU  25  -4.945   1.766  -4.223
   70   1HB   LEU  25          HB2       LEU  25  -3.121   1.979  -6.620
   71   2HB   LEU  25          HB1       LEU  25  -4.435   3.074  -6.232
   72    HG   LEU  25           HG       LEU  25  -2.243   2.691  -4.243
   73   1HD1  LEU  25          HD11      LEU  25  -1.100   3.053  -6.371
   74   2HD1  LEU  25          HD12      LEU  25  -0.939   4.441  -5.297
   75   3HD1  LEU  25          HD13      LEU  25  -2.073   4.498  -6.647
   76   1HD2  LEU  25          HD21      LEU  25  -2.780   5.044  -3.760
   77   2HD2  LEU  25          HD22      LEU  25  -4.187   3.993  -3.607
   78   3HD2  LEU  25          HD23      LEU  25  -4.000   5.014  -5.033
   79    H    ASN  26           HN       ASN  26  -3.779  -0.618  -6.517
   80    HA   ASN  26           HA       ASN  26  -5.887  -0.627  -8.340
   81   1HB   ASN  26          HB2       ASN  26  -3.977  -2.771  -7.453
   82   2HB   ASN  26          HB1       ASN  26  -5.219  -3.098  -8.654
   83   1HD2  ASN  26          HD21      ASN  26  -2.365  -3.207  -8.999
   84   2HD2  ASN  26          HD22      ASN  26  -1.967  -2.040 -10.215
   85    H    GLN  27           HN       GLN  27  -5.464  -2.652  -5.437
   86    HA   GLN  27           HA       GLN  27  -7.914  -4.033  -5.760
   87   1HB   GLN  27          HB2       GLN  27  -6.241  -3.644  -3.283
   88   2HB   GLN  27          HB1       GLN  27  -7.557  -4.800  -3.442
   89   1HG   GLN  27          HG2       GLN  27  -6.116  -5.560  -5.537
   90   2HG   GLN  27          HG1       GLN  27  -4.820  -4.860  -4.566
   91   1HE2  GLN  27          HE21      GLN  27  -4.418  -5.728  -2.493
   92   2HE2  GLN  27          HE22      GLN  27  -4.887  -7.344  -2.095
   93    H    LEU  28           HN       LEU  28  -7.090  -1.043  -4.065
   94    HA   LEU  28           HA       LEU  28  -9.592  -0.896  -2.692
   95   1HB   LEU  28          HB2       LEU  28  -7.515   0.299  -1.983
   96   2HB   LEU  28          HB1       LEU  28  -7.715   1.367  -3.359
   97    HG   LEU  28           HG       LEU  28  -9.818   2.202  -2.449
   98   1HD1  LEU  28          HD11      LEU  28  -9.280   0.264  -0.205
   99   2HD1  LEU  28          HD12      LEU  28 -10.649   0.256  -1.317
  100   3HD1  LEU  28          HD13      LEU  28 -10.474   1.559  -0.140
  101   1HD2  LEU  28          HD21      LEU  28  -7.593   2.230  -0.418
  102   2HD2  LEU  28          HD22      LEU  28  -8.933   3.373  -0.503
  103   3HD2  LEU  28          HD23      LEU  28  -7.742   3.311  -1.803
  104    H    TRP  29           HN       TRP  29  -8.349   0.392  -5.716
  105    HA   TRP  29           HA       TRP  29 -10.490   2.070  -6.385
  106   1HB   TRP  29          HB2       TRP  29  -8.342   2.177  -7.535
  107   2HB   TRP  29          HB1       TRP  29  -8.573   0.552  -8.165
  108    HD1  TRP  29           HD1      TRP  29  -9.080   0.675 -10.650
  109    HE1  TRP  29           HE1      TRP  29 -10.490   2.188 -12.187
  110    HE3  TRP  29           HE3      TRP  29 -10.759   4.020  -7.170
  111    HZ2  TRP  29           HZ2      TRP  29 -12.098   4.497 -11.947
  112    HZ3  TRP  29           HZ3      TRP  29 -12.223   5.854  -7.910
  113    HH2  TRP  29           HH2      TRP  29 -12.872   6.084 -10.248
  114    H    GLU  30           HN       GLU  30  -9.904  -1.342  -7.184
  115    HA   GLU  30           HA       GLU  30 -12.315  -1.594  -8.681
  116   1HB   GLU  30          HB2       GLU  30 -11.866  -4.038  -8.548
  117   2HB   GLU  30          HB1       GLU  30 -10.532  -3.087  -9.191
  118   1HG   GLU  30          HG2       GLU  30  -9.239  -3.384  -7.309
  119   2HG   GLU  30          HG1       GLU  30 -10.627  -3.770  -6.290
  120    H    LYS  31           HN       LYS  31 -11.490  -2.012  -5.302
  121    HA   LYS  31           HA       LYS  31 -13.670  -3.556  -4.482
  122   1HB   LYS  31          HB2       LYS  31 -11.787  -3.046  -2.988
  123   2HB   LYS  31          HB1       LYS  31 -12.265  -1.352  -2.956
  124   1HG   LYS  31          HG2       LYS  31 -14.357  -1.942  -1.859
  125   2HG   LYS  31          HG1       LYS  31 -13.922  -3.650  -1.930
  126   1HD   LYS  31          HD2       LYS  31 -11.979  -3.211  -0.506
  127   2HD   LYS  31          HD1       LYS  31 -12.417  -1.503  -0.434
  128   1HE   LYS  31          HE2       LYS  31 -13.179  -2.593   1.577
  129   2HE   LYS  31          HE1       LYS  31 -14.578  -2.149   0.600
  130   1HZ   LYS  31          HZ1       LYS  31 -14.105  -4.636  -0.268
  131   2HZ   LYS  31          HZ2       LYS  31 -15.173  -4.263   0.990
  132   3HZ   LYS  31          HZ3       LYS  31 -13.604  -4.775   1.344
  133    H    ALA  32           HN       ALA  32 -13.339  -0.057  -4.844
  134    HA   ALA  32           HA       ALA  32 -15.894   0.654  -3.911
  135   1HB   ALA  32          HB1       ALA  32 -14.224   2.095  -5.966
  136   2HB   ALA  32          HB2       ALA  32 -14.000   2.216  -4.222
  137   3HB   ALA  32          HB3       ALA  32 -15.494   2.789  -4.959
  138    H    GLN  33           HN       GLN  33 -14.694  -0.212  -7.115
  139    HA   GLN  33           HA       GLN  33 -17.098   0.329  -8.518
  140   1HB   GLN  33          HB2       GLN  33 -14.778  -1.489  -9.179
  141   2HB   GLN  33          HB1       GLN  33 -16.086  -1.117 -10.295
  142   1HG   GLN  33          HG2       GLN  33 -15.468   1.182 -10.370
  143   2HG   GLN  33          HG1       GLN  33 -14.311   0.969  -9.057
  144   1HE2  GLN  33          HE21      GLN  33 -12.367  -0.056  -9.458
  145   2HE2  GLN  33          HE22      GLN  33 -11.753  -0.294 -11.058
  146    H    ARG  34           HN       ARG  34 -15.824  -2.533  -6.904
  147    HA   ARG  34           HA       ARG  34 -17.818  -4.330  -7.833
  148   1HB   ARG  34          HB2       ARG  34 -15.958  -4.426  -5.458
  149   2HB   ARG  34          HB1       ARG  34 -17.053  -5.737  -5.875
  150   1HG   ARG  34          HG2       ARG  34 -15.622  -5.053  -8.217
  151   2HG   ARG  34          HG1       ARG  34 -14.460  -5.192  -6.896
  152   1HD   ARG  34          HD2       ARG  34 -14.811  -7.328  -8.056
  153   2HD   ARG  34          HD1       ARG  34 -15.288  -7.402  -6.361
  154    HE   ARG  34           HE       ARG  34 -17.375  -6.856  -8.330
  155   1HH1  ARG  34          HH11      ARG  34 -15.806  -9.163  -6.220
  156   2HH1  ARG  34          HH12      ARG  34 -17.152 -10.263  -6.194
  157   1HH2  ARG  34          HH21      ARG  34 -19.155  -8.296  -8.308
  158   2HH2  ARG  34          HH22      ARG  34 -19.061  -9.760  -7.385
  159    H    LEU  35           HN       LEU  35 -17.748  -1.943  -5.349
  160    HA   LEU  35           HA       LEU  35 -20.069  -3.029  -3.978
  161   1HB   LEU  35          HB2       LEU  35 -18.620  -0.408  -3.569
  162   2HB   LEU  35          HB1       LEU  35 -19.887  -1.044  -2.536
  163    HG   LEU  35           HG       LEU  35 -17.147  -2.250  -2.944
  164   1HD1  LEU  35          HD11      LEU  35 -16.824  -1.689  -0.582
  165   2HD1  LEU  35          HD12      LEU  35 -18.397  -0.887  -0.566
  166   3HD1  LEU  35          HD13      LEU  35 -17.094  -0.257  -1.574
  167   1HD2  LEU  35          HD21      LEU  35 -18.708  -4.037  -2.628
  168   2HD2  LEU  35          HD22      LEU  35 -19.488  -3.189  -1.293
  169   3HD2  LEU  35          HD23      LEU  35 -17.841  -3.792  -1.112
  170    H    HIS  36           HN       HIS  36 -19.468  -1.306  -6.705
  171    HA   HIS  36           HA       HIS  36 -20.760  -0.315  -8.255
  172   1HB   HIS  36          HB2       HIS  36 -22.986  -1.096  -6.382
  173   2HB   HIS  36          HB1       HIS  36 -23.277  -0.251  -7.898
  174    HD1  HIS  36           HD1      HIS  36 -22.949  -1.589 -10.086
  175    HD2  HIS  36           HD2      HIS  36 -22.262  -3.797  -6.632
  176    HE1  HIS  36           HE1      HIS  36 -22.860  -3.990 -10.826
  177    HE2  HIS  36           HE2      HIS  36 -22.256  -5.282  -8.748
  178    H    LEU  37           HN       LEU  37 -20.179   1.703  -8.425
  179    HA   LEU  37           HA       LEU  37 -21.602   3.726  -6.872
  180   1HB   LEU  37          HB2       LEU  37 -18.616   3.433  -7.075
  181   2HB   LEU  37          HB1       LEU  37 -19.353   5.001  -6.809
  182    HG   LEU  37           HG       LEU  37 -19.774   2.628  -4.991
  183   1HD1  LEU  37          HD11      LEU  37 -17.901   4.963  -4.637
  184   2HD1  LEU  37          HD12      LEU  37 -17.414   3.313  -5.030
  185   3HD1  LEU  37          HD13      LEU  37 -18.185   3.658  -3.482
  186   1HD2  LEU  37          HD21      LEU  37 -20.369   5.570  -4.677
  187   2HD2  LEU  37          HD22      LEU  37 -20.559   4.355  -3.412
  188   3HD2  LEU  37          HD23      LEU  37 -21.551   4.276  -4.870
  189    HA   PRO  38           HA       PRO  38 -21.974   5.577 -10.869
  190   1HB   PRO  38          HB2       PRO  38 -22.348   8.175 -10.173
  191   2HB   PRO  38          HB1       PRO  38 -23.590   6.933  -9.980
  192   1HG   PRO  38          HG2       PRO  38 -21.713   8.070  -7.948
  193   2HG   PRO  38          HG1       PRO  38 -23.441   7.706  -7.793
  194   1HD   PRO  38          HD2       PRO  38 -21.516   6.067  -6.825
  195   2HD   PRO  38          HD1       PRO  38 -23.062   5.453  -7.448
  196    HA   PRO  39           HA       PRO  39 -18.078   7.023 -12.332
  197   1HB   PRO  39          HB2       PRO  39 -18.981   9.015 -14.072
  198   2HB   PRO  39          HB1       PRO  39 -18.763   7.310 -14.467
  199   1HG   PRO  39          HG2       PRO  39 -21.239   8.784 -13.726
  200   2HG   PRO  39          HG1       PRO  39 -21.022   7.454 -14.879
  201   1HD   PRO  39          HD2       PRO  39 -22.120   7.045 -12.468
  202   2HD   PRO  39          HD1       PRO  39 -21.044   5.838 -13.207
  203    H    VAL  40           HN       VAL  40 -20.411   9.564 -11.448
  204    HA   VAL  40           HA       VAL  40 -18.576  11.669 -11.216
  205    HB   VAL  40           HB       VAL  40 -21.053  11.933 -11.216
  206   1HG1  VAL  40          HG11      VAL  40 -21.615  10.154  -9.640
  207   2HG1  VAL  40          HG12      VAL  40 -22.300  11.698  -9.141
  208   3HG1  VAL  40          HG13      VAL  40 -20.865  11.072  -8.335
  209   1HG2  VAL  40          HG21      VAL  40 -19.546  13.232  -8.953
  210   2HG2  VAL  40          HG22      VAL  40 -21.110  13.776  -9.555
  211   3HG2  VAL  40          HG23      VAL  40 -19.698  13.818 -10.610
  212    H    ARG  41           HN       ARG  41 -19.391   9.075  -9.012
  213    HA   ARG  41           HA       ARG  41 -17.940  10.224  -6.794
  214   1HB   ARG  41          HB2       ARG  41 -19.225   7.525  -7.233
  215   2HB   ARG  41          HB1       ARG  41 -18.368   7.952  -5.758
  216   1HG   ARG  41          HG2       ARG  41 -20.628   9.626  -6.776
  217   2HG   ARG  41          HG1       ARG  41 -20.917   8.186  -5.800
  218   1HD   ARG  41          HD2       ARG  41 -18.869   9.786  -4.588
  219   2HD   ARG  41          HD1       ARG  41 -20.287  10.780  -4.911
  220    HE   ARG  41           HE       ARG  41 -21.278   8.499  -3.773
  221   1HH1  ARG  41          HH11      ARG  41 -18.990  10.980  -2.844
  222   2HH1  ARG  41          HH12      ARG  41 -19.289  10.790  -1.144
  223   1HH2  ARG  41          HH21      ARG  41 -21.688   8.277  -1.530
  224   2HH2  ARG  41          HH22      ARG  41 -20.793   9.249  -0.404
  225    H    LEU  42           HN       LEU  42 -17.491   7.724  -9.218
  226    HA   LEU  42           HA       LEU  42 -15.057   6.696  -8.246
  227   1HB   LEU  42          HB2       LEU  42 -16.191   6.765 -11.043
  228   2HB   LEU  42          HB1       LEU  42 -14.769   5.854 -10.587
  229    HG   LEU  42           HG       LEU  42 -17.546   5.400  -9.502
  230   1HD1  LEU  42          HD11      LEU  42 -17.388   4.726 -11.818
  231   2HD1  LEU  42          HD12      LEU  42 -17.434   3.301 -10.781
  232   3HD1  LEU  42          HD13      LEU  42 -15.907   3.832 -11.483
  233   1HD2  LEU  42          HD21      LEU  42 -15.954   4.813  -7.826
  234   2HD2  LEU  42          HD22      LEU  42 -14.931   3.995  -9.005
  235   3HD2  LEU  42          HD23      LEU  42 -16.503   3.318  -8.584
  236    H    ALA  43           HN       ALA  43 -15.826   9.390 -10.368
  237    HA   ALA  43           HA       ALA  43 -13.210   9.925 -11.268
  238   1HB   ALA  43          HB1       ALA  43 -14.064  12.134 -11.871
  239   2HB   ALA  43          HB2       ALA  43 -15.513  11.842 -10.907
  240   3HB   ALA  43          HB3       ALA  43 -15.195  10.865 -12.340
  241    H    GLU  44           HN       GLU  44 -15.101  11.357  -8.610
  242    HA   GLU  44           HA       GLU  44 -13.049  13.027  -7.651
  243   1HB   GLU  44          HB2       GLU  44 -15.441  11.838  -6.238
  244   2HB   GLU  44          HB1       GLU  44 -14.380  13.042  -5.519
  245   1HG   GLU  44          HG2       GLU  44 -14.950  14.411  -7.659
  246   2HG   GLU  44          HG1       GLU  44 -16.335  13.324  -7.748
  247    H    LEU  45           HN       LEU  45 -14.025   9.737  -6.784
  248    HA   LEU  45           HA       LEU  45 -12.242   9.373  -4.651
  249   1HB   LEU  45          HB2       LEU  45 -14.144   7.888  -5.139
  250   2HB   LEU  45          HB1       LEU  45 -13.321   7.317  -6.577
  251    HG   LEU  45           HG       LEU  45 -11.485   6.455  -5.102
  252   1HD1  LEU  45          HD11      LEU  45 -11.979   6.168  -2.721
  253   2HD1  LEU  45          HD12      LEU  45 -13.448   7.125  -2.913
  254   3HD1  LEU  45          HD13      LEU  45 -11.870   7.871  -3.165
  255   1HD2  LEU  45          HD21      LEU  45 -14.256   5.374  -4.610
  256   2HD2  LEU  45          HD22      LEU  45 -12.747   4.500  -4.341
  257   3HD2  LEU  45          HD23      LEU  45 -13.209   4.979  -5.973
  258    H    HIS  46           HN       HIS  46 -11.890   8.710  -8.125
  259    HA   HIS  46           HA       HIS  46  -9.341   7.535  -7.990
  260   1HB   HIS  46          HB2       HIS  46 -10.937   7.630 -10.003
  261   2HB   HIS  46          HB1       HIS  46 -10.271   9.232 -10.301
  262    HD1  HIS  46           HD1      HIS  46  -7.757   9.356 -11.016
  263    HD2  HIS  46           HD2      HIS  46  -9.300   5.508 -10.751
  264    HE1  HIS  46           HE1      HIS  46  -6.082   7.880 -12.152
  265    HE2  HIS  46           HE2      HIS  46  -7.162   5.611 -12.204
  266    H    ALA  47           HN       ALA  47 -10.390  10.882  -8.254
  267    HA   ALA  47           HA       ALA  47  -7.823  12.020  -8.591
  268   1HB   ALA  47          HB1       ALA  47 -10.293  13.268  -7.388
  269   2HB   ALA  47          HB2       ALA  47  -9.900  13.223  -9.107
  270   3HB   ALA  47          HB3       ALA  47  -8.877  14.127  -7.990
  271    H    ASP  48           HN       ASP  48  -9.860  11.481  -5.742
  272    HA   ASP  48           HA       ASP  48  -8.132  12.581  -3.827
  273   1HB   ASP  48          HB2       ASP  48 -10.352  10.567  -3.706
  274   2HB   ASP  48          HB1       ASP  48  -9.365  10.862  -2.279
  275    H    LEU  49           HN       LEU  49  -8.379   9.325  -5.151
  276    HA   LEU  49           HA       LEU  49  -6.521   8.059  -3.473
  277   1HB   LEU  49          HB2       LEU  49  -7.428   7.496  -6.289
  278   2HB   LEU  49          HB1       LEU  49  -6.255   6.478  -5.476
  279    HG   LEU  49           HG       LEU  49  -9.056   6.996  -4.469
  280   1HD1  LEU  49          HD11      LEU  49  -9.122   5.739  -6.537
  281   2HD1  LEU  49          HD12      LEU  49  -9.512   4.692  -5.172
  282   3HD1  LEU  49          HD13      LEU  49  -7.915   4.613  -5.919
  283   1HD2  LEU  49          HD21      LEU  49  -7.540   6.474  -2.668
  284   2HD2  LEU  49          HD22      LEU  49  -6.900   5.094  -3.561
  285   3HD2  LEU  49          HD23      LEU  49  -8.569   5.079  -2.993
  286    H    LYS  50           HN       LYS  50  -6.110   9.876  -6.470
  287    HA   LYS  50           HA       LYS  50  -3.386   9.285  -6.893
  288   1HB   LYS  50          HB2       LYS  50  -5.139  11.586  -7.724
  289   2HB   LYS  50          HB1       LYS  50  -3.433  11.541  -8.141
  290   1HG   LYS  50          HG2       LYS  50  -5.449   9.432  -8.886
  291   2HG   LYS  50          HG1       LYS  50  -4.893  10.726  -9.945
  292   1HD   LYS  50          HD2       LYS  50  -3.207   8.517  -8.767
  293   2HD   LYS  50          HD1       LYS  50  -3.704   8.676 -10.452
  294   1HE   LYS  50          HE2       LYS  50  -2.434  10.782 -10.602
  295   2HE   LYS  50          HE1       LYS  50  -1.902  10.562  -8.935
  296   1HZ   LYS  50          HZ1       LYS  50  -0.185   9.771 -10.307
  297   2HZ   LYS  50          HZ2       LYS  50  -1.242   8.879 -11.277
  298   3HZ   LYS  50          HZ3       LYS  50  -0.937   8.389  -9.679
  299    H    ILE  51           HN       ILE  51  -5.011  11.654  -4.899
  300    HA   ILE  51           HA       ILE  51  -2.719  13.215  -4.270
  301    HB   ILE  51           HB       ILE  51  -5.149  12.870  -2.502
  302   1HG1  ILE  51          HG12      ILE  51  -5.895  13.395  -4.785
  303   2HG1  ILE  51          HG11      ILE  51  -6.154  14.763  -3.708
  304   1HG2  ILE  51          HG21      ILE  51  -4.612  15.014  -1.633
  305   2HG2  ILE  51          HG22      ILE  51  -3.401  15.294  -2.882
  306   3HG2  ILE  51          HG23      ILE  51  -3.116  14.080  -1.634
  307   1HD1  ILE  51          HD11      ILE  51  -5.309  15.447  -5.896
  308   2HD1  ILE  51          HD12      ILE  51  -3.858  14.478  -5.631
  309   3HD1  ILE  51          HD13      ILE  51  -4.192  15.866  -4.598
  310    H    GLN  52           HN       GLN  52  -4.188  10.339  -2.896
  311    HA   GLN  52           HA       GLN  52  -2.456  10.267  -0.601
  312   1HB   GLN  52          HB2       GLN  52  -4.645   9.267  -0.407
  313   2HB   GLN  52          HB1       GLN  52  -4.341   8.225  -1.792
  314   1HG   GLN  52          HG2       GLN  52  -2.292   7.746   0.107
  315   2HG   GLN  52          HG1       GLN  52  -3.837   7.726   0.957
  316   1HE2  GLN  52          HE21      GLN  52  -1.932   5.569   0.265
  317   2HE2  GLN  52          HE22      GLN  52  -2.868   4.391  -0.582
  318    H    GLU  53           HN       GLU  53  -2.643   8.650  -3.724
  319    HA   GLU  53           HA       GLU  53  -0.672   6.747  -3.501
  320   1HB   GLU  53          HB2       GLU  53  -1.955   6.750  -5.470
  321   2HB   GLU  53          HB1       GLU  53  -1.610   8.441  -5.799
  322   1HG   GLU  53          HG2       GLU  53   0.877   7.373  -5.921
  323   2HG   GLU  53          HG1       GLU  53  -0.102   6.028  -6.508
  324    H    ARG  54           HN       ARG  54  -0.193   9.982  -4.902
  325    HA   ARG  54           HA       ARG  54   2.600   9.836  -5.026
  326   1HB   ARG  54          HB2       ARG  54   1.336  11.453  -6.319
  327   2HB   ARG  54          HB1       ARG  54   0.786  12.244  -4.851
  328   1HG   ARG  54          HG2       ARG  54   3.158  12.811  -4.351
  329   2HG   ARG  54          HG1       ARG  54   3.589  12.167  -5.937
  330   1HD   ARG  54          HD2       ARG  54   3.242  14.672  -5.798
  331   2HD   ARG  54          HD1       ARG  54   2.339  13.826  -7.057
  332    HE   ARG  54           HE       ARG  54   1.163  14.692  -4.482
  333   1HH1  ARG  54          HH11      ARG  54   0.949  14.194  -7.937
  334   2HH1  ARG  54          HH12      ARG  54  -0.692  14.739  -8.048
  335   1HH2  ARG  54          HH21      ARG  54  -1.006  15.390  -4.606
  336   2HH2  ARG  54          HH22      ARG  54  -1.815  15.409  -6.144
  337    H    ASP  55           HN       ASP  55   0.448  10.914  -2.464
  338    HA   ASP  55           HA       ASP  55   2.385  12.161  -0.845
  339   1HB   ASP  55          HB2       ASP  55  -0.397  11.330  -0.565
  340   2HB   ASP  55          HB1       ASP  55   0.513  11.179   0.935
  341    H    GLU  56           HN       GLU  56   1.096   8.838  -0.790
  342    HA   GLU  56           HA       GLU  56   2.666   7.979   1.397
  343   1HB   GLU  56          HB2       GLU  56   0.620   6.844   0.214
  344   2HB   GLU  56          HB1       GLU  56   1.857   6.091  -0.785
  345   1HG   GLU  56          HG2       GLU  56   2.919   5.534   1.568
  346   2HG   GLU  56          HG1       GLU  56   1.247   5.704   2.095
  347    H    LEU  57           HN       LEU  57   3.188   7.905  -2.098
  348    HA   LEU  57           HA       LEU  57   5.600   6.452  -2.072
  349   1HB   LEU  57          HB2       LEU  57   4.483   8.464  -4.018
  350   2HB   LEU  57          HB1       LEU  57   5.988   7.612  -4.300
  351    HG   LEU  57           HG       LEU  57   3.400   6.153  -3.824
  352   1HD1  LEU  57          HD11      LEU  57   3.138   7.667  -5.749
  353   2HD1  LEU  57          HD12      LEU  57   3.121   5.966  -6.212
  354   3HD1  LEU  57          HD13      LEU  57   4.563   6.941  -6.489
  355   1HD2  LEU  57          HD21      LEU  57   6.021   5.376  -5.094
  356   2HD2  LEU  57          HD22      LEU  57   4.586   4.353  -5.022
  357   3HD2  LEU  57          HD23      LEU  57   5.404   4.834  -3.535
  358    H    ALA  58           HN       ALA  58   4.923   9.918  -1.882
  359    HA   ALA  58           HA       ALA  58   7.638  10.744  -1.861
  360   1HB   ALA  58          HB1       ALA  58   5.804  12.273  -2.413
  361   2HB   ALA  58          HB2       ALA  58   6.778  12.894  -1.080
  362   3HB   ALA  58          HB3       ALA  58   5.209  12.155  -0.755
  363    H    TRP  59           HN       TRP  59   5.276  10.075   0.687
  364    HA   TRP  59           HA       TRP  59   6.851  10.777   2.894
  365   1HB   TRP  59          HB2       TRP  59   4.433  10.403   3.040
  366   2HB   TRP  59          HB1       TRP  59   4.660   8.694   2.690
  367    HD1  TRP  59           HD1      TRP  59   5.672  11.248   5.434
  368    HE1  TRP  59           HE1      TRP  59   5.757   9.997   7.690
  369    HE3  TRP  59           HE3      TRP  59   4.672   6.518   3.758
  370    HZ2  TRP  59           HZ2      TRP  59   5.441   7.345   8.615
  371    HZ3  TRP  59           HZ3      TRP  59   4.585   4.682   5.396
  372    HH2  TRP  59           HH2      TRP  59   4.963   5.092   7.773
  373    H    LYS  60           HN       LYS  60   6.676   7.802   1.022
  374    HA   LYS  60           HA       LYS  60   8.121   6.131   2.747
  375   1HB   LYS  60          HB2       LYS  60   6.912   5.781   0.341
  376   2HB   LYS  60          HB1       LYS  60   8.598   5.776  -0.150
  377   1HG   LYS  60          HG2       LYS  60   7.890   3.525   0.253
  378   2HG   LYS  60          HG1       LYS  60   9.040   3.998   1.505
  379   1HD   LYS  60          HD2       LYS  60   7.162   2.762   2.454
  380   2HD   LYS  60          HD1       LYS  60   7.196   4.422   3.049
  381   1HE   LYS  60          HE2       LYS  60   4.922   3.787   2.521
  382   2HE   LYS  60          HE1       LYS  60   5.468   5.020   1.390
  383   1HZ   LYS  60          HZ1       LYS  60   5.820   3.345  -0.282
  384   2HZ   LYS  60          HZ2       LYS  60   4.244   3.186   0.331
  385   3HZ   LYS  60          HZ3       LYS  60   5.457   2.104   0.825
  386    H    LYS  61           HN       LYS  61   9.241   8.139   0.040
  387    HA   LYS  61           HA       LYS  61  11.990   7.569   0.405
  388   1HB   LYS  61          HB2       LYS  61  10.667   8.706  -1.592
  389   2HB   LYS  61          HB1       LYS  61  11.099  10.183  -0.741
  390   1HG   LYS  61          HG2       LYS  61  13.440   8.637  -0.878
  391   2HG   LYS  61          HG1       LYS  61  12.697   8.563  -2.475
  392   1HD   LYS  61          HD2       LYS  61  14.121  10.450  -2.506
  393   2HD   LYS  61          HD1       LYS  61  12.481  11.083  -2.339
  394   1HE   LYS  61          HE2       LYS  61  12.788  11.452   0.002
  395   2HE   LYS  61          HE1       LYS  61  14.334  10.606  -0.011
  396   1HZ   LYS  61          HZ1       LYS  61  14.979  12.427  -1.700
  397   2HZ   LYS  61          HZ2       LYS  61  14.963  12.799  -0.048
  398   3HZ   LYS  61          HZ3       LYS  61  13.674  13.281  -1.041
  399    H    LEU  62           HN       LEU  62   9.820  10.040   1.624
  400    HA   LEU  62           HA       LEU  62  11.664  11.737   2.861
  401   1HB   LEU  62          HB2       LEU  62   8.800  11.290   2.923
  402   2HB   LEU  62          HB1       LEU  62   9.412  11.735   4.502
  403    HG   LEU  62           HG       LEU  62  10.426  13.766   3.504
  404   1HD1  LEU  62          HD11      LEU  62  10.707  12.959   1.228
  405   2HD1  LEU  62          HD12      LEU  62   9.770  14.451   1.260
  406   3HD1  LEU  62          HD13      LEU  62   8.956  12.903   1.021
  407   1HD2  LEU  62          HD21      LEU  62   8.328  14.975   3.181
  408   2HD2  LEU  62          HD22      LEU  62   8.240  13.882   4.562
  409   3HD2  LEU  62          HD23      LEU  62   7.465  13.444   3.040
  410    H    LYS  63           HN       LYS  63   9.871   8.972   4.182
  411    HA   LYS  63           HA       LYS  63  10.896   9.023   6.770
  412   1HB   LYS  63          HB2       LYS  63   8.984   7.622   5.968
  413   2HB   LYS  63          HB1       LYS  63  10.145   6.556   5.191
  414   1HG   LYS  63          HG2       LYS  63  10.573   7.071   8.067
  415   2HG   LYS  63          HG1       LYS  63   9.145   6.124   7.637
  416   1HD   LYS  63          HD2       LYS  63  10.470   4.487   6.524
  417   2HD   LYS  63          HD1       LYS  63  11.910   5.503   6.612
  418   1HE   LYS  63          HE2       LYS  63  10.473   4.458   9.039
  419   2HE   LYS  63          HE1       LYS  63  11.798   3.596   8.261
  420   1HZ   LYS  63          HZ1       LYS  63  12.729   4.838  10.011
  421   2HZ   LYS  63          HZ2       LYS  63  11.893   6.249   9.595
  422   3HZ   LYS  63          HZ3       LYS  63  13.139   5.673   8.600
  423    H    LEU  64           HN       LEU  64  12.180   7.402   3.871
  424    HA   LEU  64           HA       LEU  64  14.342   6.106   5.159
  425   1HB   LEU  64          HB2       LEU  64  13.303   6.102   2.629
  426   2HB   LEU  64          HB1       LEU  64  14.799   6.981   2.386
  427    HG   LEU  64           HG       LEU  64  14.765   4.303   3.764
  428   1HD1  LEU  64          HD11      LEU  64  14.940   4.868   0.804
  429   2HD1  LEU  64          HD12      LEU  64  13.688   3.946   1.637
  430   3HD1  LEU  64          HD13      LEU  64  15.336   3.327   1.561
  431   1HD2  LEU  64          HD21      LEU  64  16.932   5.616   2.129
  432   2HD2  LEU  64          HD22      LEU  64  17.077   4.219   3.201
  433   3HD2  LEU  64          HD23      LEU  64  16.780   5.823   3.872
  434    H    ASP  65           HN       ASP  65  13.950   9.277   3.728
  435    HA   ASP  65           HA       ASP  65  16.690  10.054   3.969
  436   1HB   ASP  65          HB2       ASP  65  14.328  11.122   2.819
  437   2HB   ASP  65          HB1       ASP  65  14.926  12.316   3.962
  438    H    GLY  66           HN       GLY  66  14.002   9.921   6.093
  439   1HA   GLY  66          HA2       GLY  66  14.112  10.101   8.428
  440   2HA   GLY  66          HA1       GLY  66  15.623  10.984   8.268
  441    H    LEU  67           HN       LEU  67  12.727  11.791   6.460
  442    HA   LEU  67           HA       LEU  67  12.798  14.447   7.624
  443   1HB   LEU  67          HB2       LEU  67  11.723  13.229   5.204
  444   2HB   LEU  67          HB1       LEU  67  10.627  14.390   5.928
  445    HG   LEU  67           HG       LEU  67  11.957  15.512   4.279
  446   1HD1  LEU  67          HD11      LEU  67  11.475  16.611   6.531
  447   2HD1  LEU  67          HD12      LEU  67  12.733  17.334   5.532
  448   3HD1  LEU  67          HD13      LEU  67  13.173  16.317   6.904
  449   1HD2  LEU  67          HD21      LEU  67  13.832  13.981   4.177
  450   2HD2  LEU  67          HD22      LEU  67  14.358  14.484   5.782
  451   3HD2  LEU  67          HD23      LEU  67  14.400  15.628   4.442
  452    H    ASP  68           HN       ASP  68  10.724  11.623   7.736
  453    HA   ASP  68           HA       ASP  68   9.176  12.954   9.844
  454   1HB   ASP  68          HB2       ASP  68   7.863  13.057   7.744
  455   2HB   ASP  68          HB1       ASP  68   7.947  11.304   7.628
  456    H    GLU  69           HN       GLU  69   9.733  11.830  11.570
  457    HA   GLU  69           HA       GLU  69   9.609   8.888  11.416
  458   1HB   GLU  69          HB2       GLU  69  11.362  10.618  13.170
  459   2HB   GLU  69          HB1       GLU  69  11.255   8.867  13.272
  460   1HG   GLU  69          HG2       GLU  69  12.004  10.183  10.696
  461   2HG   GLU  69          HG1       GLU  69  13.205   9.937  11.961
  462    H    ASP  70           HN       ASP  70   8.469  11.748  12.904
  463    HA   ASP  70           HA       ASP  70   7.466  10.464  15.290
  464   1HB   ASP  70          HB2       ASP  70   6.579  12.616  15.890
  465   2HB   ASP  70          HB1       ASP  70   8.189  12.874  15.226
  466    H    GLY  71           HN       GLY  71   6.411  10.977  12.076
  467   1HA   GLY  71          HA2       GLY  71   4.571   9.944  11.071
  468   2HA   GLY  71          HA1       GLY  71   3.921   9.603  12.665
  469    H    GLU  72           HN       GLU  72   4.948  12.730  11.362
  470    HA   GLU  72           HA       GLU  72   2.428  13.883  12.170
  471   1HB   GLU  72          HB2       GLU  72   4.546  15.118  12.454
  472   2HB   GLU  72          HB1       GLU  72   4.764  15.132  10.711
  473   1HG   GLU  72          HG2       GLU  72   2.211  16.244  11.635
  474   2HG   GLU  72          HG1       GLU  72   3.643  17.136  12.145
  475    H    LYS  73           HN       LYS  73   4.140  13.267   9.129
  476    HA   LYS  73           HA       LYS  73   2.217  14.438   7.431
  477   1HB   LYS  73          HB2       LYS  73   3.828  12.074   6.542
  478   2HB   LYS  73          HB1       LYS  73   3.376  13.510   5.639
  479   1HG   LYS  73          HG2       LYS  73   5.419  13.391   7.846
  480   2HG   LYS  73          HG1       LYS  73   5.763  13.448   6.119
  481   1HD   LYS  73          HD2       LYS  73   4.900  15.652   5.931
  482   2HD   LYS  73          HD1       LYS  73   4.203  15.588   7.553
  483   1HE   LYS  73          HE2       LYS  73   7.153  15.286   7.099
  484   2HE   LYS  73          HE1       LYS  73   6.406  16.875   7.225
  485   1HZ   LYS  73          HZ1       LYS  73   7.278  16.084   9.355
  486   2HZ   LYS  73          HZ2       LYS  73   6.241  14.745   9.298
  487   3HZ   LYS  73          HZ3       LYS  73   5.603  16.320   9.413
  488    H    GLU  74           HN       GLU  74   2.573  11.133   8.671
  489    HA   GLU  74           HA       GLU  74   0.408  10.090   7.168
  490   1HB   GLU  74          HB2       GLU  74   2.293   8.784   8.361
  491   2HB   GLU  74          HB1       GLU  74   1.281   8.926   9.795
  492   1HG   GLU  74          HG2       GLU  74  -0.570   7.865   8.530
  493   2HG   GLU  74          HG1       GLU  74   0.542   7.617   7.185
  494    H    ALA  75           HN       ALA  75   0.664  11.618  10.328
  495    HA   ALA  75           HA       ALA  75  -1.917  11.010  11.265
  496   1HB   ALA  75          HB1       ALA  75  -0.320  13.510  11.822
  497   2HB   ALA  75          HB2       ALA  75  -0.110  11.973  12.660
  498   3HB   ALA  75          HB3       ALA  75  -1.632  12.855  12.799
  499    H    ARG  76           HN       ARG  76  -0.647  13.533   9.204
  500    HA   ARG  76           HA       ARG  76  -2.999  15.080   8.940
  501   1HB   ARG  76          HB2       ARG  76  -0.579  15.673   8.300
  502   2HB   ARG  76          HB1       ARG  76  -0.869  14.763   6.826
  503   1HG   ARG  76          HG2       ARG  76  -2.787  16.279   6.354
  504   2HG   ARG  76          HG1       ARG  76  -2.295  17.245   7.748
  505   1HD   ARG  76          HD2       ARG  76  -0.776  16.747   5.196
  506   2HD   ARG  76          HD1       ARG  76  -1.344  18.284   5.843
  507    HE   ARG  76           HE       ARG  76   0.385  17.264   7.736
  508   1HH1  ARG  76          HH11      ARG  76   0.582  18.199   4.371
  509   2HH1  ARG  76          HH12      ARG  76   2.247  18.674   4.468
  510   1HH2  ARG  76          HH21      ARG  76   2.573  17.848   7.877
  511   2HH2  ARG  76          HH22      ARG  76   3.389  18.468   6.464
  512    H    LEU  77           HN       LEU  77  -1.645  12.355   7.175
  513    HA   LEU  77           HA       LEU  77  -3.514  12.230   5.089
  514   1HB   LEU  77          HB2       LEU  77  -1.732  10.182   6.381
  515   2HB   LEU  77          HB1       LEU  77  -2.845   9.733   5.104
  516    HG   LEU  77           HG       LEU  77  -0.771  11.887   4.764
  517   1HD1  LEU  77          HD11      LEU  77   0.542  10.000   5.174
  518   2HD1  LEU  77          HD12      LEU  77   0.402  10.057   3.417
  519   3HD1  LEU  77          HD13      LEU  77  -0.583   8.925   4.344
  520   1HD2  LEU  77          HD21      LEU  77  -1.154  11.432   2.379
  521   2HD2  LEU  77          HD22      LEU  77  -2.618  11.979   3.196
  522   3HD2  LEU  77          HD23      LEU  77  -2.407  10.270   2.814
  523    H    ILE  78           HN       ILE  78  -3.457  10.705   8.294
  524    HA   ILE  78           HA       ILE  78  -5.777   9.164   8.032
  525    HB   ILE  78           HB       ILE  78  -4.696  10.458  10.544
  526   1HG1  ILE  78          HG12      ILE  78  -4.254   7.669   9.455
  527   2HG1  ILE  78          HG11      ILE  78  -3.084   8.980   9.343
  528   1HG2  ILE  78          HG21      ILE  78  -6.606   8.149  10.187
  529   2HG2  ILE  78          HG22      ILE  78  -6.996   9.743  10.834
  530   3HG2  ILE  78          HG23      ILE  78  -5.912   8.674  11.721
  531   1HD1  ILE  78          HD11      ILE  78  -2.981   9.066  11.794
  532   2HD1  ILE  78          HD12      ILE  78  -2.518   7.490  11.154
  533   3HD1  ILE  78          HD13      ILE  78  -4.113   7.715  11.875
  534    H    ARG  79           HN       ARG  79  -5.335  12.522   9.081
  535    HA   ARG  79           HA       ARG  79  -8.007  13.018   9.801
  536   1HB   ARG  79          HB2       ARG  79  -6.130  14.537  10.357
  537   2HB   ARG  79          HB1       ARG  79  -6.006  14.981   8.660
  538   1HG   ARG  79          HG2       ARG  79  -8.108  16.062   8.688
  539   2HG   ARG  79          HG1       ARG  79  -8.514  15.384  10.264
  540   1HD   ARG  79          HD2       ARG  79  -6.709  16.684  11.288
  541   2HD   ARG  79          HD1       ARG  79  -6.297  17.354   9.711
  542    HE   ARG  79           HE       ARG  79  -8.298  18.612   9.743
  543   1HH1  ARG  79          HH11      ARG  79  -7.789  16.796  12.705
  544   2HH1  ARG  79          HH12      ARG  79  -8.885  17.772  13.630
  545   1HH2  ARG  79          HH21      ARG  79  -9.747  19.881  10.967
  546   2HH2  ARG  79          HH22      ARG  79 -10.008  19.505  12.645
  547    H    ASN  80           HN       ASN  80  -6.308  13.331   6.710
  548    HA   ASN  80           HA       ASN  80  -8.535  14.354   5.271
  549   1HB   ASN  80          HB2       ASN  80  -6.156  14.537   4.516
  550   2HB   ASN  80          HB1       ASN  80  -6.172  12.810   4.180
  551   1HD2  ASN  80          HD21      ASN  80  -7.029  12.088   2.319
  552   2HD2  ASN  80          HD22      ASN  80  -7.733  13.099   1.108
  553    H    LEU  81           HN       LEU  81  -7.314  11.133   5.954
  554    HA   LEU  81           HA       LEU  81  -8.989   9.700   4.207
  555   1HB   LEU  81          HB2       LEU  81  -7.163   9.097   6.373
  556   2HB   LEU  81          HB1       LEU  81  -8.573   8.058   6.430
  557    HG   LEU  81           HG       LEU  81  -6.739   7.017   5.182
  558   1HD1  LEU  81          HD11      LEU  81  -8.844   6.261   4.503
  559   2HD1  LEU  81          HD12      LEU  81  -8.011   6.662   3.002
  560   3HD1  LEU  81          HD13      LEU  81  -9.218   7.764   3.662
  561   1HD2  LEU  81          HD21      LEU  81  -6.020   7.928   3.029
  562   2HD2  LEU  81          HD22      LEU  81  -5.656   9.034   4.354
  563   3HD2  LEU  81          HD23      LEU  81  -7.027   9.352   3.293
  564    H    ASN  82           HN       ASN  82  -9.457  10.943   7.461
  565    HA   ASN  82           HA       ASN  82 -11.849   9.608   8.083
  566   1HB   ASN  82          HB2       ASN  82 -10.544  10.928   9.730
  567   2HB   ASN  82          HB1       ASN  82 -11.017  12.407   8.898
  568   1HD2  ASN  82          HD21      ASN  82 -12.995  13.289   9.294
  569   2HD2  ASN  82          HD22      ASN  82 -14.123  12.646  10.433
  570    H    VAL  83           HN       VAL  83 -11.199  12.604   6.337
  571    HA   VAL  83           HA       VAL  83 -13.880  13.381   5.900
  572    HB   VAL  83           HB       VAL  83 -11.557  13.907   4.036
  573   1HG1  VAL  83          HG11      VAL  83 -13.988  15.597   4.604
  574   2HG1  VAL  83          HG12      VAL  83 -13.846  14.486   3.243
  575   3HG1  VAL  83          HG13      VAL  83 -12.757  15.868   3.370
  576   1HG2  VAL  83          HG21      VAL  83 -10.869  14.501   6.278
  577   2HG2  VAL  83          HG22      VAL  83 -12.353  15.422   6.521
  578   3HG2  VAL  83          HG23      VAL  83 -11.163  15.962   5.336
  579    H    ILE  84           HN       ILE  84 -11.614  11.418   4.041
  580    HA   ILE  84           HA       ILE  84 -13.255  10.926   1.808
  581    HB   ILE  84           HB       ILE  84 -11.002   9.277   2.967
  582   1HG1  ILE  84          HG12      ILE  84 -11.070  11.268   0.684
  583   2HG1  ILE  84          HG11      ILE  84 -10.368  11.552   2.275
  584   1HG2  ILE  84          HG21      ILE  84 -10.887   8.097   0.886
  585   2HG2  ILE  84          HG22      ILE  84 -12.161   9.098   0.193
  586   3HG2  ILE  84          HG23      ILE  84 -12.536   7.970   1.496
  587   1HD1  ILE  84          HD11      ILE  84  -8.614  11.078   0.730
  588   2HD1  ILE  84          HD12      ILE  84  -9.419   9.603   0.191
  589   3HD1  ILE  84          HD13      ILE  84  -8.768   9.706   1.828
  590    H    LEU  85           HN       LEU  85 -12.746   9.084   4.806
  591    HA   LEU  85           HA       LEU  85 -14.421   6.919   4.130
  592   1HB   LEU  85          HB2       LEU  85 -13.521   8.019   6.780
  593   2HB   LEU  85          HB1       LEU  85 -14.531   6.591   6.651
  594    HG   LEU  85           HG       LEU  85 -11.778   6.867   5.438
  595   1HD1  LEU  85          HD11      LEU  85 -11.075   5.327   7.206
  596   2HD1  LEU  85          HD12      LEU  85 -12.687   5.409   7.914
  597   3HD1  LEU  85          HD13      LEU  85 -11.673   6.850   7.865
  598   1HD2  LEU  85          HD21      LEU  85 -13.682   4.538   5.652
  599   2HD2  LEU  85          HD22      LEU  85 -11.990   4.403   5.173
  600   3HD2  LEU  85          HD23      LEU  85 -13.118   5.324   4.177
  601    H    ALA  86           HN       ALA  86 -15.086  10.016   5.674
  602    HA   ALA  86           HA       ALA  86 -17.829   9.325   6.238
  603   1HB   ALA  86          HB1       ALA  86 -16.446  12.003   6.353
  604   2HB   ALA  86          HB2       ALA  86 -16.606  10.864   7.690
  605   3HB   ALA  86          HB3       ALA  86 -18.040  11.628   7.006
  606    H    LYS  87           HN       LYS  87 -16.177  10.211   3.475
  607    HA   LYS  87           HA       LYS  87 -18.485  11.581   2.308
  608   1HB   LYS  87          HB2       LYS  87 -16.118  12.514   2.150
  609   2HB   LYS  87          HB1       LYS  87 -15.783  11.200   1.034
  610   1HG   LYS  87          HG2       LYS  87 -17.676  12.049  -0.379
  611   2HG   LYS  87          HG1       LYS  87 -17.729  13.463   0.679
  612   1HD   LYS  87          HD2       LYS  87 -15.395  13.951   0.141
  613   2HD   LYS  87          HD1       LYS  87 -15.337  12.539  -0.917
  614   1HE   LYS  87          HE2       LYS  87 -17.451  13.761  -1.979
  615   2HE   LYS  87          HE1       LYS  87 -16.636  15.174  -1.317
  616   1HZ   LYS  87          HZ1       LYS  87 -15.099  13.247  -2.923
  617   2HZ   LYS  87          HZ2       LYS  87 -14.849  14.907  -2.701
  618   3HZ   LYS  87          HZ3       LYS  87 -16.103  14.366  -3.705
  619    H    TYR  88           HN       TYR  88 -16.395   8.746   1.794
  620    HA   TYR  88           HA       TYR  88 -18.308   7.870  -0.272
  621   1HB   TYR  88          HB2       TYR  88 -15.468   6.921   0.119
  622   2HB   TYR  88          HB1       TYR  88 -16.537   6.523  -1.221
  623    HD1  TYR  88           HD1      TYR  88 -17.160   8.315  -2.869
  624    HD2  TYR  88           HD2      TYR  88 -14.213   8.934   0.135
  625    HE1  TYR  88           HE1      TYR  88 -16.310  10.261  -4.110
  626    HE2  TYR  88           HE2      TYR  88 -13.352  10.878  -1.102
  627    HH   TYR  88           HH       TYR  88 -13.336  11.821  -3.301
  628    H    GLY  89           HN       GLY  89 -17.120   7.120   2.861
  629   1HA   GLY  89          HA2       GLY  89 -17.478   5.354   4.289
  630   2HA   GLY  89          HA1       GLY  89 -18.977   5.136   3.401
  631    H    LEU  90           HN       LEU  90 -15.490   4.498   2.959
  632    HA   LEU  90           HA       LEU  90 -16.232   1.988   1.625
  633   1HB   LEU  90          HB2       LEU  90 -13.841   3.787   1.378
  634   2HB   LEU  90          HB1       LEU  90 -13.779   2.122   0.829
  635    HG   LEU  90           HG       LEU  90 -15.823   4.108  -0.163
  636   1HD1  LEU  90          HD11      LEU  90 -13.145   3.363  -1.326
  637   2HD1  LEU  90          HD12      LEU  90 -13.646   4.951  -0.747
  638   3HD1  LEU  90          HD13      LEU  90 -14.402   4.256  -2.181
  639   1HD2  LEU  90          HD21      LEU  90 -16.430   1.762  -0.442
  640   2HD2  LEU  90          HD22      LEU  90 -14.880   1.441  -1.220
  641   3HD2  LEU  90          HD23      LEU  90 -16.056   2.499  -1.999
  642    H    ASP  91           HN       ASP  91 -16.052   2.299   4.564
  643    HA   ASP  91           HA       ASP  91 -13.637   0.813   5.230
  644   1HB   ASP  91          HB2       ASP  91 -14.121   1.201   7.501
  645   2HB   ASP  91          HB1       ASP  91 -14.622   2.683   6.694
  646    H    GLY  92           HN       GLY  92 -14.092  -1.047   6.915
  647   1HA   GLY  92          HA2       GLY  92 -16.458  -2.589   6.338
  648   2HA   GLY  92          HA1       GLY  92 -14.988  -3.251   5.640
  649    H    LYS  93           HN       LYS  93 -16.992  -3.470   8.195
  650    HA   LYS  93           HA       LYS  93 -16.906  -4.332  10.291
  651   1HB   LYS  93          HB2       LYS  93 -15.926  -6.197   8.821
  652   2HB   LYS  93          HB1       LYS  93 -14.360  -5.718   9.455
  653   1HG   LYS  93          HG2       LYS  93 -15.060  -6.253  11.703
  654   2HG   LYS  93          HG1       LYS  93 -16.694  -6.610  11.141
  655   1HD   LYS  93          HD2       LYS  93 -15.972  -8.533   9.969
  656   2HD   LYS  93          HD1       LYS  93 -14.277  -8.071  10.105
  657   1HE   LYS  93          HE2       LYS  93 -14.579  -8.303  12.622
  658   2HE   LYS  93          HE1       LYS  93 -16.110  -9.096  12.257
  659   1HZ   LYS  93          HZ1       LYS  93 -15.073 -10.960  11.550
  660   2HZ   LYS  93          HZ2       LYS  93 -13.778 -10.387  12.490
  661   3HZ   LYS  93          HZ3       LYS  93 -13.800 -10.109  10.816
  662    H    LYS  94           HN       LYS  94 -16.071  -1.843  10.392
  663    HA   LYS  94           HA       LYS  94 -13.469  -1.333  11.317
  664   1HB   LYS  94          HB2       LYS  94 -14.487   0.748  12.298
  665   2HB   LYS  94          HB1       LYS  94 -14.815   0.499  10.588
  666   1HG   LYS  94          HG2       LYS  94 -17.016  -0.554  11.348
  667   2HG   LYS  94          HG1       LYS  94 -16.674   0.173  12.919
  668   1HD   LYS  94          HD2       LYS  94 -17.042   2.287  12.170
  669   2HD   LYS  94          HD1       LYS  94 -16.437   1.932  10.550
  670   1HE   LYS  94          HE2       LYS  94 -19.105   1.082  11.673
  671   2HE   LYS  94          HE1       LYS  94 -18.838   2.394  10.528
  672   1HZ   LYS  94          HZ1       LYS  94 -19.467   0.617   9.204
  673   2HZ   LYS  94          HZ2       LYS  94 -18.571  -0.516  10.091
  674   3HZ   LYS  94          HZ3       LYS  94 -17.776   0.592   9.077
  675    H    ASP  95           HN       ASP  95 -16.216  -2.678  12.882
  676    HA   ASP  95           HA       ASP  95 -14.703  -3.378  15.206
  677   1HB   ASP  95          HB2       ASP  95 -15.194  -1.378  16.232
  678   2HB   ASP  95          HB1       ASP  95 -16.664  -1.138  15.300
  679    H    ALA  96           HN       ALA  96 -18.069  -2.897  14.173
  680    HA   ALA  96           HA       ALA  96 -18.565  -5.745  14.752
  681   1HB   ALA  96          HB1       ALA  96 -20.575  -3.493  14.851
  682   2HB   ALA  96          HB2       ALA  96 -19.778  -4.194  16.260
  683   3HB   ALA  96          HB3       ALA  96 -20.859  -5.181  15.276
  684    H    ARG  97           HN       ARG  97 -19.331  -3.003  12.667
  685    HA   ARG  97           HA       ARG  97 -19.720  -4.852  10.442
  686   1HB   ARG  97          HB2       ARG  97 -21.956  -4.183  11.475
  687   2HB   ARG  97          HB1       ARG  97 -21.604  -2.545  10.940
  688   1HG   ARG  97          HG2       ARG  97 -23.051  -3.608   9.351
  689   2HG   ARG  97          HG1       ARG  97 -21.465  -3.369   8.620
  690   1HD   ARG  97          HD2       ARG  97 -21.327  -5.537   8.177
  691   2HD   ARG  97          HD1       ARG  97 -21.481  -5.906   9.894
  692    HE   ARG  97           HE       ARG  97 -23.972  -5.369   8.522
  693   1HH1  ARG  97          HH11      ARG  97 -21.674  -7.789   9.558
  694   2HH1  ARG  97          HH12      ARG  97 -22.814  -9.092   9.493
  695   1HH2  ARG  97          HH21      ARG  97 -25.481  -7.087   8.413
  696   2HH2  ARG  97          HH22      ARG  97 -24.984  -8.697   8.827
  697   1H    SER   1          HT1       SER   1  34.957   4.312  -2.506
  698   2H    SER   1          HT2       SER   1  33.577   3.958  -3.416
  699   3H    SER   1          HT3       SER   1  34.937   2.960  -3.524
  700    HA   SER   1           HA       SER   1  34.678   2.220  -1.301
  701   1HB   SER   1          HB2       SER   1  33.737   4.476  -0.536
  702   2HB   SER   1          HB1       SER   1  32.174   3.902  -1.114
  703    HG   SER   1           HG       SER   1  33.298   3.424   1.219
  704    H    ALA   2           HN       ALA   2  32.615   0.912  -0.475
  705    HA   ALA   2           HA       ALA   2  31.777  -0.638  -2.739
  706   1HB   ALA   2          HB1       ALA   2  30.734  -2.112  -1.101
  707   2HB   ALA   2          HB2       ALA   2  31.042  -0.923   0.164
  708   3HB   ALA   2          HB3       ALA   2  32.391  -1.724  -0.639
  709    H    ARG   3           HN       ARG   3  30.115   1.131  -0.205
  710    HA   ARG   3           HA       ARG   3  28.073   2.137  -0.072
  711   1HB   ARG   3          HB2       ARG   3  29.267   3.216  -2.192
  712   2HB   ARG   3          HB1       ARG   3  27.954   2.420  -3.046
  713   1HG   ARG   3          HG2       ARG   3  27.024   4.474  -2.682
  714   2HG   ARG   3          HG1       ARG   3  26.475   3.625  -1.232
  715   1HD   ARG   3          HD2       ARG   3  28.398   4.541   0.002
  716   2HD   ARG   3          HD1       ARG   3  28.888   5.421  -1.445
  717    HE   ARG   3           HE       ARG   3  26.636   6.017   0.296
  718   1HH1  ARG   3          HH11      ARG   3  28.344   6.706  -2.679
  719   2HH1  ARG   3          HH12      ARG   3  27.604   8.258  -2.896
  720   1HH2  ARG   3          HH21      ARG   3  25.638   8.043   0.001
  721   2HH2  ARG   3          HH22      ARG   3  26.067   9.024  -1.368
  722    H    THR   4           HN       THR   4  28.079  -0.727  -0.314
  723    HA   THR   4           HA       THR   4  25.579  -1.153  -1.802
  724    HB   THR   4           HB       THR   4  26.492  -3.669  -1.446
  725    HG1  THR   4           HG1      THR   4  28.885  -2.696  -2.283
  726   1HG2  THR   4          HG21      THR   4  27.225  -1.772  -3.677
  727   2HG2  THR   4          HG22      THR   4  25.748  -2.727  -3.557
  728   3HG2  THR   4          HG23      THR   4  27.302  -3.532  -3.771
  729    H    CYS   5           HN       CYS   5  26.846  -0.993   1.288
  730    HA   CYS   5           HA       CYS   5  25.946  -1.353   3.346
  731   1HB   CYS   5          HB2       CYS   5  23.748  -0.940   1.831
  732   2HB   CYS   5          HB1       CYS   5  23.432  -2.581   2.386
  733    HA   PRO   6           HA       PRO   6  27.110  -5.517   4.351
  734   1HB   PRO   6          HB2       PRO   6  25.068  -5.390   6.510
  735   2HB   PRO   6          HB1       PRO   6  26.792  -5.757   6.614
  736   1HG   PRO   6          HG2       PRO   6  25.827  -3.404   7.419
  737   2HG   PRO   6          HG1       PRO   6  27.405  -3.532   6.617
  738   1HD   PRO   6          HD2       PRO   6  24.802  -2.549   5.539
  739   2HD   PRO   6          HD1       PRO   6  26.453  -2.008   5.184
  740    HA   PRO   7           HA       PRO   7  24.281  -8.356   2.484
  741   1HB   PRO   7          HB2       PRO   7  24.694 -10.596   4.044
  742   2HB   PRO   7          HB1       PRO   7  25.729 -10.086   2.708
  743   1HG   PRO   7          HG2       PRO   7  26.076  -9.651   5.645
  744   2HG   PRO   7          HG1       PRO   7  27.289 -10.078   4.424
  745   1HD   PRO   7          HD2       PRO   7  27.074  -7.577   5.346
  746   2HD   PRO   7          HD1       PRO   7  27.444  -7.896   3.639
  747    H    ASN   8           HN       ASN   8  23.995  -7.723   5.892
  748    HA   ASN   8           HA       ASN   8  21.517  -9.144   6.233
  749   1HB   ASN   8          HB2       ASN   8  23.328  -8.317   8.011
  750   2HB   ASN   8          HB1       ASN   8  22.269  -6.912   8.055
  751   1HD2  ASN   8          HD21      ASN   8  19.832  -8.334   7.602
  752   2HD2  ASN   8          HD22      ASN   8  19.500  -9.237   9.043
  753    H    GLN   9           HN       GLN   9  22.410  -6.274   4.796
  754    HA   GLN   9           HA       GLN   9  19.651  -5.354   4.733
  755   1HB   GLN   9          HB2       GLN   9  20.829  -2.963   4.672
  756   2HB   GLN   9          HB1       GLN   9  20.322  -3.711   6.177
  757   1HG   GLN   9          HG2       GLN   9  23.023  -4.445   5.367
  758   2HG   GLN   9          HG1       GLN   9  22.804  -2.716   5.631
  759   1HE2  GLN   9          HE21      GLN   9  20.922  -5.094   7.331
  760   2HE2  GLN   9          HE22      GLN   9  21.658  -4.867   8.877
  761    H    PHE  10           HN       PHE  10  20.203  -3.113   3.097
  762    HA   PHE  10           HA       PHE  10  21.643  -4.092   0.794
  763   1HB   PHE  10          HB2       PHE  10  19.721  -5.267   0.271
  764   2HB   PHE  10          HB1       PHE  10  18.667  -4.107   1.055
  765    HD1  PHE  10           HD1      PHE  10  20.642  -4.754  -2.010
  766    HD2  PHE  10           HD2      PHE  10  17.619  -2.425  -0.131
  767    HE1  PHE  10           HE1      PHE  10  19.989  -3.835  -4.204
  768    HE2  PHE  10           HE2      PHE  10  16.966  -1.512  -2.298
  769    HZ   PHE  10           HZ       PHE  10  18.140  -2.202  -4.346
  770    H    SER  11           HN       SER  11  21.637  -2.395  -0.958
  771    HA   SER  11           HA       SER  11  21.519   0.231   0.275
  772   1HB   SER  11          HB2       SER  11  23.150   0.880  -1.506
  773   2HB   SER  11          HB1       SER  11  23.748  -0.381  -0.425
  774    HG   SER  11           HG       SER  11  22.609  -0.770  -3.005
  775    H    CYS  12           HN       CYS  12  19.981   1.584  -0.365
  776    HA   CYS  12           HA       CYS  12  18.296   1.030  -2.557
  777   1HB   CYS  12          HB2       CYS  12  17.178   2.232  -0.935
  778   2HB   CYS  12          HB1       CYS  12  18.558   3.239  -0.579
  779    H    ALA  13           HN       ALA  13  17.897   2.897  -4.197
  780    HA   ALA  13           HA       ALA  13  19.402   2.938  -6.282
  781   1HB   ALA  13          HB1       ALA  13  17.402   4.272  -6.073
  782   2HB   ALA  13          HB2       ALA  13  18.695   5.180  -6.856
  783   3HB   ALA  13          HB3       ALA  13  18.304   5.481  -5.158
  784    H    SER  14           HN       SER  14  20.064   5.710  -4.230
  785    HA   SER  14           HA       SER  14  22.587   6.088  -5.541
  786   1HB   SER  14          HB2       SER  14  22.689   8.050  -3.922
  787   2HB   SER  14          HB1       SER  14  21.374   8.021  -5.101
  788    HG   SER  14           HG       SER  14  21.224   8.097  -2.433
  789    H    GLY  15           HN       GLY  15  22.479   3.649  -3.956
  790   1HA   GLY  15          HA2       GLY  15  23.962   2.486  -2.636
  791   2HA   GLY  15          HA1       GLY  15  25.003   3.897  -2.680
  792    H    ARG  16           HN       ARG  16  21.715   3.707  -1.454
  793    HA   ARG  16           HA       ARG  16  22.591   4.821   1.079
  794   1HB   ARG  16          HB2       ARG  16  19.783   3.997   0.418
  795   2HB   ARG  16          HB1       ARG  16  20.318   5.211   1.559
  796   1HG   ARG  16          HG2       ARG  16  21.161   6.542  -0.389
  797   2HG   ARG  16          HG1       ARG  16  20.362   5.376  -1.443
  798   1HD   ARG  16          HD2       ARG  16  18.922   7.283  -1.144
  799   2HD   ARG  16          HD1       ARG  16  18.218   5.890  -0.323
  800    HE   ARG  16           HE       ARG  16  19.346   6.917   1.742
  801   1HH1  ARG  16          HH11      ARG  16  18.027   8.790  -0.907
  802   2HH1  ARG  16          HH12      ARG  16  17.687  10.173   0.078
  803   1HH2  ARG  16          HH21      ARG  16  18.898   8.735   3.034
  804   2HH2  ARG  16          HH22      ARG  16  18.165  10.148   2.325
  805    H    CYS  17           HN       CYS  17  20.529   3.541   2.648
  806    HA   CYS  17           HA       CYS  17  21.338   0.746   2.661
  807   1HB   CYS  17          HB2       CYS  17  22.170   2.755   4.657
  808   2HB   CYS  17          HB1       CYS  17  21.624   1.207   5.293
  809    H    ILE  18           HN       ILE  18  19.645  -0.468   2.963
  810    HA   ILE  18           HA       ILE  18  17.525   0.331   4.806
  811    HB   ILE  18           HB       ILE  18  15.760  -0.107   3.249
  812   1HG1  ILE  18          HG12      ILE  18  16.887  -0.502   0.745
  813   2HG1  ILE  18          HG11      ILE  18  17.849  -1.524   1.810
  814   1HG2  ILE  18          HG21      ILE  18  16.105   1.529   1.479
  815   2HG2  ILE  18          HG22      ILE  18  17.844   1.495   1.775
  816   3HG2  ILE  18          HG23      ILE  18  16.746   2.122   3.011
  817   1HD1  ILE  18          HD11      ILE  18  16.039  -2.812   0.947
  818   2HD1  ILE  18          HD12      ILE  18  14.867  -1.589   1.442
  819   3HD1  ILE  18          HD13      ILE  18  15.753  -2.514   2.663
  820    HA   PRO  19           HA       PRO  19  18.060  -3.929   6.036
  821   1HB   PRO  19          HB2       PRO  19  15.119  -4.042   6.438
  822   2HB   PRO  19          HB1       PRO  19  16.424  -4.347   7.590
  823   1HG   PRO  19          HG2       PRO  19  14.974  -2.118   7.734
  824   2HG   PRO  19          HG1       PRO  19  16.716  -2.094   8.056
  825   1HD   PRO  19          HD2       PRO  19  15.232  -1.231   5.603
  826   2HD   PRO  19          HD1       PRO  19  16.622  -0.468   6.406
  827    H    ILE  20           HN       ILE  20  17.984  -5.921   5.096
  828    HA   ILE  20           HA       ILE  20  17.369  -6.221   2.419
  829    HB   ILE  20           HB       ILE  20  17.926  -8.091   4.648
  830   1HG1  ILE  20          HG12      ILE  20  19.675  -7.011   3.227
  831   2HG1  ILE  20          HG11      ILE  20  19.755  -8.769   3.250
  832   1HG2  ILE  20          HG21      ILE  20  16.905  -9.118   2.009
  833   2HG2  ILE  20          HG22      ILE  20  16.060  -9.224   3.553
  834   3HG2  ILE  20          HG23      ILE  20  17.580 -10.085   3.321
  835   1HD1  ILE  20          HD11      ILE  20  20.135  -7.882   1.016
  836   2HD1  ILE  20          HD12      ILE  20  18.558  -7.095   1.052
  837   3HD1  ILE  20          HD13      ILE  20  18.665  -8.854   1.072
  838    H    SER  21           HN       SER  21  15.345  -7.004   5.198
  839    HA   SER  21           HA       SER  21  13.304  -8.345   3.824
  840   1HB   SER  21          HB2       SER  21  12.790  -6.791   6.323
  841   2HB   SER  21          HB1       SER  21  12.216  -8.396   5.870
  842    HG   SER  21           HG       SER  21  14.217  -7.878   7.412
  843    H    TRP  22           HN       TRP  22  14.062  -5.106   3.486
  844    HA   TRP  22           HA       TRP  22  11.285  -4.243   3.234
  845   1HB   TRP  22          HB2       TRP  22  13.877  -2.734   2.979
  846   2HB   TRP  22          HB1       TRP  22  12.306  -2.011   2.681
  847    HD1  TRP  22           HD1      TRP  22  12.479  -4.411   5.586
  848    HE1  TRP  22           HE1      TRP  22  12.361  -3.085   7.771
  849    HE3  TRP  22           HE3      TRP  22  13.004   0.324   3.715
  850    HZ2  TRP  22           HZ2      TRP  22  12.464  -0.394   8.617
  851    HZ3  TRP  22           HZ3      TRP  22  12.985   2.219   5.286
  852    HH2  TRP  22           HH2      TRP  22  12.720   1.862   7.685
  853    H    THR  23           HN       THR  23  13.743  -5.478   1.236
  854    HA   THR  23           HA       THR  23  13.314  -4.065  -1.139
  855    HB   THR  23           HB       THR  23  14.184  -6.168  -2.270
  856    HG1  THR  23           HG1      THR  23  14.561  -7.013   0.442
  857   1HG2  THR  23          HG21      THR  23  15.685  -4.366  -1.689
  858   2HG2  THR  23          HG22      THR  23  16.461  -5.908  -1.324
  859   3HG2  THR  23          HG23      THR  23  15.776  -4.936  -0.022
  860    H    CYS  24           HN       CYS  24  12.644  -7.376  -1.454
  861    HA   CYS  24           HA       CYS  24  10.140  -6.853  -2.746
  862   1HB   CYS  24          HB2       CYS  24  12.056  -9.079  -2.519
  863   2HB   CYS  24          HB1       CYS  24  10.372  -9.527  -2.791
  864    H    ASP  25           HN       ASP  25   8.663  -6.317  -1.097
  865    HA   ASP  25           HA       ASP  25   7.959  -8.552   0.654
  866   1HB   ASP  25          HB2       ASP  25   7.863  -7.205   2.647
  867   2HB   ASP  25          HB1       ASP  25   9.465  -7.036   1.946
  868    H    LEU  26           HN       LEU  26   7.096  -5.269  -0.298
  869    HA   LEU  26           HA       LEU  26   4.700  -5.574  -1.473
  870   1HB   LEU  26          HB2       LEU  26   4.192  -6.670   0.901
  871   2HB   LEU  26          HB1       LEU  26   3.941  -4.993   1.356
  872    HG   LEU  26           HG       LEU  26   2.312  -4.865  -0.612
  873   1HD1  LEU  26          HD11      LEU  26   3.002  -6.892  -1.762
  874   2HD1  LEU  26          HD12      LEU  26   1.307  -6.995  -1.289
  875   3HD1  LEU  26          HD13      LEU  26   2.534  -7.863  -0.366
  876   1HD2  LEU  26          HD21      LEU  26   1.541  -4.867   1.675
  877   2HD2  LEU  26          HD22      LEU  26   1.696  -6.622   1.759
  878   3HD2  LEU  26          HD23      LEU  26   0.490  -5.893   0.698
  879    H    ASP  27           HN       ASP  27   6.776  -3.840   0.651
  880    HA   ASP  27           HA       ASP  27   5.389  -1.326   0.104
  881   1HB   ASP  27          HB2       ASP  27   6.275  -2.037   2.449
  882   2HB   ASP  27          HB1       ASP  27   7.832  -1.492   1.822
  883    H    ASP  28           HN       ASP  28   6.156   0.229  -1.065
  884    HA   ASP  28           HA       ASP  28   8.301  -0.329  -2.919
  885   1HB   ASP  28          HB2       ASP  28   7.481   2.034  -3.749
  886   2HB   ASP  28          HB1       ASP  28   6.498   0.602  -4.037
  887    H    ASP  29           HN       ASP  29  10.287  -0.039  -1.982
  888    HA   ASP  29           HA       ASP  29  10.766   2.443  -0.515
  889   1HB   ASP  29          HB2       ASP  29  12.665   0.120  -0.897
  890   2HB   ASP  29          HB1       ASP  29  12.821   1.449   0.251
  891    H    CYS  30           HN       CYS  30  13.557   1.156  -2.041
  892    HA   CYS  30           HA       CYS  30  13.302   2.517  -4.520
  893   1HB   CYS  30          HB2       CYS  30  14.950   4.317  -4.148
  894   2HB   CYS  30          HB1       CYS  30  13.434   4.542  -3.283
  895    H    GLY  31           HN       GLY  31  14.442  -0.020  -3.460
  896   1HA   GLY  31          HA2       GLY  31  17.202  -0.129  -3.568
  897   2HA   GLY  31          HA1       GLY  31  16.157  -1.408  -4.167
  898    H    ASP  32           HN       ASP  32  15.039  -0.569  -6.304
  899    HA   ASP  32           HA       ASP  32  17.196   0.237  -8.121
  900   1HB   ASP  32          HB2       ASP  32  15.913  -0.822  -9.877
  901   2HB   ASP  32          HB1       ASP  32  15.984  -1.954  -8.533
  902    H    ARG  33           HN       ARG  33  13.907   0.654  -7.180
  903    HA   ARG  33           HA       ARG  33  13.846   3.497  -7.619
  904   1HB   ARG  33          HB2       ARG  33  11.993   1.640  -9.154
  905   2HB   ARG  33          HB1       ARG  33  11.776   3.380  -9.015
  906   1HG   ARG  33          HG2       ARG  33  13.382   3.840 -10.499
  907   2HG   ARG  33          HG1       ARG  33  14.391   2.492  -9.972
  908   1HD   ARG  33          HD2       ARG  33  12.769   0.955 -11.120
  909   2HD   ARG  33          HD1       ARG  33  11.985   2.386 -11.790
  910    HE   ARG  33           HE       ARG  33  13.932   2.821 -13.069
  911   1HH1  ARG  33          HH11      ARG  33  14.036  -0.258 -11.363
  912   2HH1  ARG  33          HH12      ARG  33  15.340  -0.874 -12.337
  913   1HH2  ARG  33          HH21      ARG  33  15.633   1.985 -14.340
  914   2HH2  ARG  33          HH22      ARG  33  16.222   0.378 -14.039
  915    H    SER  34           HN       SER  34  12.143   0.495  -6.989
  916    HA   SER  34           HA       SER  34  11.125   1.570  -4.476
  917   1HB   SER  34          HB2       SER  34   9.313   0.268  -6.528
  918   2HB   SER  34          HB1       SER  34   8.839   0.873  -4.940
  919    HG   SER  34           HG       SER  34   9.984   2.903  -6.020
  920    H    ASP  35           HN       ASP  35  12.855  -0.674  -5.925
  921    HA   ASP  35           HA       ASP  35  13.314  -2.902  -5.767
  922   1HB   ASP  35          HB2       ASP  35  13.584  -3.682  -3.350
  923   2HB   ASP  35          HB1       ASP  35  14.540  -2.314  -3.888
  924    H    GLU  36           HN       GLU  36  10.535  -2.517  -6.248
  925    HA   GLU  36           HA       GLU  36   9.516  -4.927  -4.921
  926   1HB   GLU  36          HB2       GLU  36   8.126  -2.383  -5.693
  927   2HB   GLU  36          HB1       GLU  36   7.217  -3.887  -5.624
  928   1HG   GLU  36          HG2       GLU  36   8.756  -2.624  -3.365
  929   2HG   GLU  36          HG1       GLU  36   7.005  -2.668  -3.551
  930    H    SER  37           HN       SER  37   9.717  -6.542  -6.248
  931    HA   SER  37           HA       SER  37   9.141  -7.925  -7.980
  932   1HB   SER  37          HB2       SER  37   8.128  -5.523  -9.514
  933   2HB   SER  37          HB1       SER  37   7.798  -7.223  -9.850
  934    HG   SER  37           HG       SER  37   7.105  -6.113  -7.356
  935    H    ALA  38           HN       ALA  38  10.346  -4.794  -9.194
  936    HA   ALA  38           HA       ALA  38  11.983  -6.097 -11.172
  937   1HB   ALA  38          HB1       ALA  38  11.836  -3.205 -10.354
  938   2HB   ALA  38          HB2       ALA  38  10.951  -3.961 -11.679
  939   3HB   ALA  38          HB3       ALA  38  12.710  -3.830 -11.752
  940    H    SER  39           HN       SER  39  12.657  -7.008  -8.657
  941    HA   SER  39           HA       SER  39  15.460  -6.218  -8.546
  942   1HB   SER  39          HB2       SER  39  14.169  -6.608  -5.901
  943   2HB   SER  39          HB1       SER  39  15.473  -5.514  -6.368
  944    HG   SER  39           HG       SER  39  13.802  -4.277  -7.480
  945    H    CYS  40           HN       CYS  40  13.150  -8.236  -6.721
  946    HA   CYS  40           HA       CYS  40  15.066 -10.438  -6.746
  947   1HB   CYS  40          HB2       CYS  40  13.605 -11.474  -5.143
  948   2HB   CYS  40          HB1       CYS  40  13.772  -9.774  -4.706
  949    H    ALA  41           HN       ALA  41  12.970  -9.370  -8.945
  950    HA   ALA  41           HA       ALA  41  12.005 -10.257 -10.798
  951   1HB   ALA  41          HB1       ALA  41  13.911 -11.801 -10.891
  952   2HB   ALA  41          HB2       ALA  41  12.420 -12.562 -11.445
  953   3HB   ALA  41          HB3       ALA  41  13.048 -12.920  -9.838
  954    H    TYR  42           HN       TYR  42  11.139 -10.820  -7.726
  955    HA   TYR  42           HA       TYR  42   9.274 -11.380  -6.609
  956   1HB   TYR  42          HB2       TYR  42   8.451 -10.044  -8.977
  957   2HB   TYR  42          HB1       TYR  42   7.283 -11.313  -8.631
  958    HD1  TYR  42           HD1      TYR  42   5.454  -9.942  -7.991
  959    HD2  TYR  42           HD2      TYR  42   9.218  -9.468  -6.070
  960    HE1  TYR  42           HE1      TYR  42   4.400  -8.513  -6.287
  961    HE2  TYR  42           HE2      TYR  42   8.178  -8.039  -4.364
  962    HH   TYR  42           HH       TYR  42   6.278  -6.702  -3.977
  963    HA   PRO  43           HA       PRO  43   9.068 -15.743  -8.154
  964   1HB   PRO  43          HB2       PRO  43  10.092 -16.493  -5.540
  965   2HB   PRO  43          HB1       PRO  43  10.809 -16.796  -7.123
  966   1HG   PRO  43          HG2       PRO  43  11.886 -15.093  -5.289
  967   2HG   PRO  43          HG1       PRO  43  12.100 -14.901  -7.038
  968   1HD   PRO  43          HD2       PRO  43  10.225 -13.475  -5.189
  969   2HD   PRO  43          HD1       PRO  43  11.177 -12.834  -6.545
  970    H    THR  44           HN       THR  44   6.806 -15.456  -7.994
  971    HA   THR  44           HA       THR  44   4.714 -15.713  -7.141
  972    HB   THR  44           HB       THR  44   5.989 -17.154  -4.802
  973    HG1  THR  44           HG1      THR  44   6.486 -18.653  -6.203
  974   1HG2  THR  44          HG21      THR  44   3.577 -16.409  -4.695
  975   2HG2  THR  44          HG22      THR  44   3.848 -18.146  -4.488
  976   3HG2  THR  44          HG23      THR  44   3.262 -17.520  -6.032
  977    H    CYS  45           HN       CYS  45   6.000 -13.403  -6.732
  978    HA   CYS  45           HA       CYS  45   5.857 -11.431  -5.660
  979   1HB   CYS  45          HB2       CYS  45   3.866 -12.816  -3.860
  980   2HB   CYS  45          HB1       CYS  45   4.095 -11.074  -4.008
  981    H    PHE  46           HN       PHE  46   5.504 -13.684  -2.969
  982    HA   PHE  46           HA       PHE  46   8.169 -13.449  -2.057
  983   1HB   PHE  46          HB2       PHE  46   7.758 -12.190   0.044
  984   2HB   PHE  46          HB1       PHE  46   7.572 -11.193  -1.390
  985    HD1  PHE  46           HD1      PHE  46   4.872 -11.710  -2.252
  986    HD2  PHE  46           HD2      PHE  46   6.407 -11.356   1.691
  987    HE1  PHE  46           HE1      PHE  46   2.660 -11.035  -1.477
  988    HE2  PHE  46           HE2      PHE  46   4.191 -10.664   2.490
  989    HZ   PHE  46           HZ       PHE  46   2.305 -10.494   0.912
  990    HA   PRO  47           HA       PRO  47   6.183 -17.034  -0.194
  991   1HB   PRO  47          HB2       PRO  47   8.303 -18.658  -0.298
  992   2HB   PRO  47          HB1       PRO  47   7.404 -18.234  -1.759
  993   1HG   PRO  47          HG2       PRO  47  10.016 -17.181  -0.773
  994   2HG   PRO  47          HG1       PRO  47   9.507 -17.553  -2.429
  995   1HD   PRO  47          HD2       PRO  47   9.538 -15.016  -1.282
  996   2HD   PRO  47          HD1       PRO  47   8.617 -15.483  -2.724
  997    H    LEU  48           HN       LEU  48   6.965 -14.902   1.504
  998    HA   LEU  48           HA       LEU  48   8.485 -16.290   3.606
  999   1HB   LEU  48          HB2       LEU  48   8.094 -13.451   4.059
 1000   2HB   LEU  48          HB1       LEU  48   9.568 -14.401   4.095
 1001    HG   LEU  48           HG       LEU  48   8.359 -13.620   1.474
 1002   1HD1  LEU  48          HD11      LEU  48  10.180 -11.902   3.153
 1003   2HD1  LEU  48          HD12      LEU  48   8.494 -11.558   2.771
 1004   3HD1  LEU  48          HD13      LEU  48   9.701 -11.582   1.486
 1005   1HD2  LEU  48          HD21      LEU  48  11.189 -14.116   2.400
 1006   2HD2  LEU  48          HD22      LEU  48  10.706 -13.703   0.756
 1007   3HD2  LEU  48          HD23      LEU  48  10.188 -15.229   1.470
 1008    H    THR  49           HN       THR  49   6.002 -13.778   3.333
 1009    HA   THR  49           HA       THR  49   4.316 -15.144   5.280
 1010    HB   THR  49           HB       THR  49   3.960 -12.728   6.291
 1011    HG1  THR  49           HG1      THR  49   5.363 -11.532   5.084
 1012   1HG2  THR  49          HG21      THR  49   5.645 -13.200   8.033
 1013   2HG2  THR  49          HG22      THR  49   6.339 -14.449   6.999
 1014   3HG2  THR  49          HG23      THR  49   4.697 -14.628   7.617
 1015    H    GLN  50           HN       GLN  50   3.256 -15.469   3.226
 1016    HA   GLN  50           HA       GLN  50   1.925 -13.057   2.225
 1017   1HB   GLN  50          HB2       GLN  50   3.650 -13.943   0.722
 1018   2HB   GLN  50          HB1       GLN  50   2.807 -15.486   0.677
 1019   1HG   GLN  50          HG2       GLN  50   0.807 -14.073  -0.126
 1020   2HG   GLN  50          HG1       GLN  50   2.042 -12.874  -0.498
 1021   1HE2  GLN  50          HE21      GLN  50   4.067 -14.816  -1.150
 1022   2HE2  GLN  50          HE22      GLN  50   3.641 -15.473  -2.698
 1023    H    PHE  51           HN       PHE  51  -0.115 -13.122   1.613
 1024    HA   PHE  51           HA       PHE  51  -1.687 -15.587   1.960
 1025   1HB   PHE  51          HB2       PHE  51  -2.265 -14.121   3.785
 1026   2HB   PHE  51          HB1       PHE  51  -2.346 -12.725   2.726
 1027    HD1  PHE  51           HD1      PHE  51  -4.089 -15.764   3.851
 1028    HD2  PHE  51           HD2      PHE  51  -4.306 -12.262   1.459
 1029    HE1  PHE  51           HE1      PHE  51  -6.531 -16.037   3.669
 1030    HE2  PHE  51           HE2      PHE  51  -6.739 -12.513   1.272
 1031    HZ   PHE  51           HZ       PHE  51  -7.857 -14.407   2.378
 1032    H    THR  52           HN       THR  52  -3.564 -15.612   0.404
 1033    HA   THR  52           HA       THR  52  -2.759 -14.242  -2.049
 1034    HB   THR  52           HB       THR  52  -4.673 -16.130  -2.720
 1035    HG1  THR  52           HG1      THR  52  -3.344 -17.963  -1.546
 1036   1HG2  THR  52          HG21      THR  52  -2.769 -17.389  -3.642
 1037   2HG2  THR  52          HG22      THR  52  -1.664 -16.402  -2.686
 1038   3HG2  THR  52          HG23      THR  52  -2.622 -15.661  -3.966
 1039    H    CYS  53           HN       CYS  53  -3.811 -12.366  -2.257
 1040    HA   CYS  53           HA       CYS  53  -6.447 -11.945  -1.299
 1041   1HB   CYS  53          HB2       CYS  53  -4.394 -10.330  -2.308
 1042   2HB   CYS  53          HB1       CYS  53  -5.787 -10.082  -3.361
 1043    H    ASN  54           HN       ASN  54  -7.634 -10.455  -3.233
 1044    HA   ASN  54           HA       ASN  54  -9.520 -11.814  -4.369
 1045   1HB   ASN  54          HB2       ASN  54  -8.451  -9.289  -4.781
 1046   2HB   ASN  54          HB1       ASN  54  -8.592  -9.985  -6.393
 1047   1HD2  ASN  54          HD21      ASN  54 -10.073  -7.810  -5.288
 1048   2HD2  ASN  54          HD22      ASN  54 -11.732  -8.279  -5.293
 1049    H    ASN  55           HN       ASN  55  -9.243 -13.774  -5.077
 1050    HA   ASN  55           HA       ASN  55  -9.094 -15.451  -6.565
 1051   1HB   ASN  55          HB2       ASN  55  -9.433 -13.033  -8.161
 1052   2HB   ASN  55          HB1       ASN  55  -8.697 -14.363  -9.051
 1053   1HD2  ASN  55          HD21      ASN  55 -11.512 -13.411  -7.138
 1054   2HD2  ASN  55          HD22      ASN  55 -12.572 -14.608  -7.798
 1055    H    GLY  56           HN       GLY  56  -6.564 -14.658  -5.333
 1056   1HA   GLY  56          HA2       GLY  56  -4.641 -16.100  -5.722
 1057   2HA   GLY  56          HA1       GLY  56  -4.857 -15.834  -7.438
 1058    H    ARG  57           HN       ARG  57  -5.076 -13.050  -5.371
 1059    HA   ARG  57           HA       ARG  57  -2.623 -12.041  -6.552
 1060   1HB   ARG  57          HB2       ARG  57  -4.827 -10.889  -4.889
 1061   2HB   ARG  57          HB1       ARG  57  -3.307 -10.015  -5.055
 1062   1HG   ARG  57          HG2       ARG  57  -3.669  -9.550  -7.268
 1063   2HG   ARG  57          HG1       ARG  57  -4.699 -10.969  -7.504
 1064   1HD   ARG  57          HD2       ARG  57  -6.428  -9.933  -6.132
 1065   2HD   ARG  57          HD1       ARG  57  -5.412  -8.509  -5.926
 1066    HE   ARG  57           HE       ARG  57  -5.860  -9.069  -8.679
 1067   1HH1  ARG  57          HH11      ARG  57  -7.265  -7.685  -5.807
 1068   2HH1  ARG  57          HH12      ARG  57  -8.435  -6.723  -6.666
 1069   1HH2  ARG  57          HH21      ARG  57  -7.360  -7.756  -9.843
 1070   2HH2  ARG  57          HH22      ARG  57  -8.466  -6.740  -8.960
 1071    H    CYS  58           HN       CYS  58  -1.206 -10.699  -4.843
 1072    HA   CYS  58           HA       CYS  58  -0.771 -12.532  -2.570
 1073   1HB   CYS  58          HB2       CYS  58   1.405 -10.808  -3.722
 1074   2HB   CYS  58          HB1       CYS  58   1.548 -12.271  -2.757
 1075    H    ILE  59           HN       ILE  59  -1.204 -11.636  -0.654
 1076    HA   ILE  59           HA       ILE  59  -0.464  -8.829  -0.305
 1077    HB   ILE  59           HB       ILE  59  -2.338  -8.464   1.266
 1078   1HG1  ILE  59          HG12      ILE  59  -3.753 -10.811   0.046
 1079   2HG1  ILE  59          HG11      ILE  59  -2.740 -11.032   1.473
 1080   1HG2  ILE  59          HG21      ILE  59  -2.897  -9.029  -1.618
 1081   2HG2  ILE  59          HG22      ILE  59  -2.569  -7.482  -0.836
 1082   3HG2  ILE  59          HG23      ILE  59  -4.101  -8.310  -0.549
 1083   1HD1  ILE  59          HD11      ILE  59  -4.999  -9.044   1.323
 1084   2HD1  ILE  59          HD12      ILE  59  -4.098  -9.543   2.754
 1085   3HD1  ILE  59          HD13      ILE  59  -5.179 -10.683   1.952
 1086    H    ASN  60           HN       ASN  60  -0.437  -8.313   2.181
 1087    HA   ASN  60           HA       ASN  60   1.511  -9.974   3.345
 1088   1HB   ASN  60          HB2       ASN  60   1.075  -7.522   3.860
 1089   2HB   ASN  60          HB1       ASN  60  -0.275  -8.056   4.854
 1090   1HD2  ASN  60          HD21      ASN  60   2.333  -6.697   5.436
 1091   2HD2  ASN  60          HD22      ASN  60   3.040  -7.634   6.704
 1092    H    ILE  61           HN       ILE  61   1.377 -11.706   4.648
 1093    HA   ILE  61           HA       ILE  61  -1.008 -13.169   4.799
 1094    HB   ILE  61           HB       ILE  61   1.456 -13.958   4.927
 1095   1HG1  ILE  61          HG12      ILE  61  -0.800 -15.285   5.151
 1096   2HG1  ILE  61          HG11      ILE  61   0.729 -16.065   5.530
 1097   1HG2  ILE  61          HG21      ILE  61   0.884 -13.638   7.863
 1098   2HG2  ILE  61          HG22      ILE  61   2.026 -12.679   6.921
 1099   3HG2  ILE  61          HG23      ILE  61   2.299 -14.407   7.140
 1100   1HD1  ILE  61          HD11      ILE  61  -1.081 -16.547   7.141
 1101   2HD1  ILE  61          HD12      ILE  61  -1.100 -14.839   7.578
 1102   3HD1  ILE  61          HD13      ILE  61   0.341 -15.810   7.878
 1103    H    ASN  62           HN       ASN  62   0.302 -10.747   6.841
 1104    HA   ASN  62           HA       ASN  62  -1.543 -11.461   9.005
 1105   1HB   ASN  62          HB2       ASN  62   1.046 -10.793   9.199
 1106   2HB   ASN  62          HB1       ASN  62   0.331  -9.186   9.321
 1107   1HD2  ASN  62          HD21      ASN  62   0.851  -8.898  11.453
 1108   2HD2  ASN  62          HD22      ASN  62   0.117  -9.797  12.730
 1109    H    TRP  63           HN       TRP  63  -2.862 -10.541   6.832
 1110    HA   TRP  63           HA       TRP  63  -3.495  -7.739   7.466
 1111   1HB   TRP  63          HB2       TRP  63  -3.415  -9.275   4.978
 1112   2HB   TRP  63          HB1       TRP  63  -4.897  -8.344   5.168
 1113    HD1  TRP  63           HD1      TRP  63  -1.599  -6.991   6.540
 1114    HE1  TRP  63           HE1      TRP  63  -0.932  -4.900   5.186
 1115    HE3  TRP  63           HE3      TRP  63  -5.152  -7.228   2.873
 1116    HZ2  TRP  63           HZ2      TRP  63  -1.802  -3.539   2.870
 1117    HZ3  TRP  63           HZ3      TRP  63  -5.172  -5.495   1.130
 1118    HH2  TRP  63           HH2      TRP  63  -3.528  -3.687   1.133
 1119    H    ARG  64           HN       ARG  64  -4.433 -10.709   8.278
 1120    HA   ARG  64           HA       ARG  64  -7.176 -10.869   7.943
 1121   1HB   ARG  64          HB2       ARG  64  -5.365 -12.440   9.051
 1122   2HB   ARG  64          HB1       ARG  64  -6.011 -11.740  10.527
 1123   1HG   ARG  64          HG2       ARG  64  -7.261 -13.671  10.262
 1124   2HG   ARG  64          HG1       ARG  64  -8.307 -12.429   9.570
 1125   1HD   ARG  64          HD2       ARG  64  -8.106 -13.242   7.477
 1126   2HD   ARG  64          HD1       ARG  64  -6.410 -13.672   7.696
 1127    HE   ARG  64           HE       ARG  64  -7.760 -15.480   9.221
 1128   1HH1  ARG  64          HH11      ARG  64  -7.930 -14.480   5.865
 1129   2HH1  ARG  64          HH12      ARG  64  -8.410 -16.056   5.299
 1130   1HH2  ARG  64          HH21      ARG  64  -8.391 -17.542   8.477
 1131   2HH2  ARG  64          HH22      ARG  64  -8.685 -17.791   6.786
 1132    H    CYS  65           HN       CYS  65  -5.730 -10.024  11.023
 1133    HA   CYS  65           HA       CYS  65  -6.171  -8.469  12.591
 1134   1HB   CYS  65          HB1       CYS  65  -7.153  -7.110  10.133
 1135   2HB   CYS  65          HB2       CYS  65  -5.789  -6.706  11.163
 1136    H    ASP  66           HN       ASP  66  -9.135  -8.329  10.685
 1137    HA   ASP  66           HA       ASP  66 -10.842  -8.089  12.914
 1138   1HB   ASP  66          HB2       ASP  66 -12.619  -8.143  11.374
 1139   2HB   ASP  66          HB1       ASP  66 -11.277  -7.387  10.523
 1140    H    ASN  67           HN       ASN  67  -9.307 -10.808  11.684
 1141    HA   ASN  67           HA       ASN  67  -9.285 -12.963  12.378
 1142   1HB   ASN  67          HB2       ASN  67 -11.324 -11.879  14.261
 1143   2HB   ASN  67          HB1       ASN  67 -11.178 -13.626  14.095
 1144   1HD2  ASN  67          HD21      ASN  67 -10.576 -13.441  16.370
 1145   2HD2  ASN  67          HD22      ASN  67  -8.925 -13.133  16.766
 1146    H    ASP  68           HN       ASP  68 -11.259 -11.734  10.296
 1147    HA   ASP  68           HA       ASP  68 -12.793 -14.226   9.990
 1148   1HB   ASP  68          HB2       ASP  68 -13.627 -11.459   9.687
 1149   2HB   ASP  68          HB1       ASP  68 -13.934 -12.395   8.231
 1150    H    ASN  69           HN       ASN  69 -13.497 -13.781   7.274
 1151    HA   ASN  69           HA       ASN  69 -10.902 -14.506   6.141
 1152   1HB   ASN  69          HB2       ASN  69 -12.213 -15.544   4.309
 1153   2HB   ASN  69          HB1       ASN  69 -12.619 -16.203   5.885
 1154   1HD2  ASN  69          HD21      ASN  69 -16.147 -13.115   3.715
 1155   2HD2  ASN  69          HD22      ASN  69 -16.026 -14.690   4.419
 1156    H    ASP  70           HN       ASP  70  -9.894 -13.307   4.856
 1157    HA   ASP  70           HA       ASP  70 -10.863 -10.713   4.142
 1158   1HB   ASP  70          HB2       ASP  70  -8.256 -11.727   3.157
 1159   2HB   ASP  70          HB1       ASP  70  -8.650 -10.202   3.938
 1160    H    CYS  71           HN       CYS  71  -8.947 -10.841   1.801
 1161    HA   CYS  71           HA       CYS  71 -10.516 -10.682  -0.343
 1162   1HB   CYS  71          HB2       CYS  71  -7.727 -11.404   0.099
 1163   2HB   CYS  71          HB1       CYS  71  -8.373 -11.945  -1.443
 1164    H    GLY  72           HN       GLY  72 -11.184 -11.882  -2.027
 1165   1HA   GLY  72          HA2       GLY  72 -10.840 -14.585  -2.557
 1166   2HA   GLY  72          HA1       GLY  72 -12.251 -14.449  -1.504
 1167    H    ASP  73           HN       ASP  73 -13.649 -12.535  -2.127
 1168    HA   ASP  73           HA       ASP  73 -14.130 -12.562  -5.034
 1169   1HB   ASP  73          HB2       ASP  73 -16.031 -13.557  -4.167
 1170   2HB   ASP  73          HB1       ASP  73 -15.967 -12.637  -2.672
 1171    H    ASN  74           HN       ASN  74 -13.633 -10.777  -2.186
 1172    HA   ASN  74           HA       ASN  74 -13.486  -8.281  -3.651
 1173   1HB   ASN  74          HB2       ASN  74 -15.539  -8.670  -1.963
 1174   2HB   ASN  74          HB1       ASN  74 -14.318  -8.230  -0.776
 1175   1HD2  ASN  74          HD21      ASN  74 -16.476  -7.112  -3.173
 1176   2HD2  ASN  74          HD22      ASN  74 -16.088  -5.431  -3.062
 1177    H    SER  75           HN       SER  75 -12.253  -6.715  -1.810
 1178    HA   SER  75           HA       SER  75  -9.700  -7.938  -1.536
 1179   1HB   SER  75          HB2       SER  75 -10.045  -5.526   0.027
 1180   2HB   SER  75          HB1       SER  75  -9.010  -5.824  -1.370
 1181    HG   SER  75           HG       SER  75 -10.434  -4.892  -2.614
 1182    H    ASP  76           HN       ASP  76  -8.496  -7.681   0.662
 1183    HA   ASP  76           HA       ASP  76  -9.512  -9.460   2.489
 1184   1HB   ASP  76          HB2       ASP  76  -7.320  -9.246   2.998
 1185   2HB   ASP  76          HB1       ASP  76  -7.262  -7.579   2.425
 1186    H    GLU  77           HN       GLU  77  -9.492  -5.911   2.857
 1187    HA   GLU  77           HA       GLU  77 -12.026  -5.935   4.154
 1188   1HB   GLU  77          HB2       GLU  77  -9.716  -6.319   5.774
 1189   2HB   GLU  77          HB1       GLU  77 -10.344  -4.710   6.090
 1190   1HG   GLU  77          HG2       GLU  77 -12.540  -5.678   6.577
 1191   2HG   GLU  77          HG1       GLU  77 -11.869  -7.287   6.300
 1192    H    ALA  78           HN       ALA  78  -9.030  -4.138   4.222
 1193    HA   ALA  78           HA       ALA  78  -8.446  -2.016   3.662
 1194   1HB   ALA  78          HB1       ALA  78 -11.099  -1.935   2.225
 1195   2HB   ALA  78          HB2       ALA  78  -9.542  -2.368   1.520
 1196   3HB   ALA  78          HB3       ALA  78  -9.827  -0.723   2.091
 1197    H    GLY  79           HN       GLY  79 -10.191  -2.853   5.973
 1198   1HA   GLY  79          HA2       GLY  79 -11.303  -0.220   6.682
 1199   2HA   GLY  79          HA1       GLY  79 -11.831  -1.751   7.368
 1200    H    CYS  80           HN       CYS  80 -10.120  -2.970   8.627
 1201    HA   CYS  80           HA       CYS  80  -8.862  -1.089  10.443
 1202   1HB   CYS  80          HB2       CYS  80  -8.484  -2.981  11.894
 1203   2HB   CYS  80          HB1       CYS  80 -10.126  -3.090  11.264
 1204    H    SER  81           HN       SER  81  -7.937  -2.535   7.621
 1205    HA   SER  81           HA       SER  81  -5.335  -3.436   8.129
 1206   1HB   SER  81          HB2       SER  81  -5.944  -2.151   5.510
 1207   2HB   SER  81          HB1       SER  81  -5.170  -3.699   5.855
 1208    HG   SER  81           HG       SER  81  -7.045  -4.639   5.713
 1209    H    HIS  82           HN       HIS  82  -6.109  -0.409   6.380
 1210    HA   HIS  82           HA       HIS  82  -4.420   1.182   8.060
 1211   1HB   HIS  82          HB2       HIS  82  -2.738  -0.040   6.631
 1212   2HB   HIS  82          HB1       HIS  82  -3.465   0.718   5.220
 1213    HD1  HIS  82           HD1      HIS  82  -1.791   2.389   4.451
 1214    HD2  HIS  82           HD2      HIS  82  -2.270   2.467   8.583
 1215    HE1  HIS  82           HE1      HIS  82  -0.391   4.307   5.264
 1216    HE2  HIS  82           HE2      HIS  82  -0.571   4.250   7.775