*HEADER    ELECTRON TRANSPORT                      20-APR-96   1IET      
*TITLE     APOCYTOCHROME B5, PH 6.2, 298 K, NMR, MINIMIZED AVERAGE       
*TITLE    2 STRUCTURE                                                    
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: APOCYTOCHROME B5;                                  
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                      
*SOURCE   3 ORGANISM_COMMON: RAT;                                        
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                        
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET-3D;                           
*SOURCE   7 EXPRESSION_SYSTEM_GENE: CYTB5                                
*KEYWDS    ELECTRON TRANSPORT                                            
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                              
*AUTHOR    C.J.FALZONE,J.T.J.LECOMTE                                     
*REVDAT   1   12-OCT-04 1IET    0   


!d2o restraints
assign (resid  3    and  name  ha   )(resid  4   and  name  hg2# ) 5.0 2.7 1.5
assign (resid  4    and  name  hg1# )(resid  77  and  name  ha2  ) 4.5 2.7 1.5
assign (resid  4    and  name  hg2# )(resid  77  and  name  ha2  ) 4.5 2.7 1.5
assign (resid  4    and  name  hg1# )(resid  78  and  name  hb2  ) 4.5 2.7 1.5
assign (resid  4    and  name  hg1# )(resid  78  and  name  hg1  ) 3.5 1.7 0.3
assign (resid  4    and  name  hg2# )(resid  78  and  name  hg1  ) 4.5 2.7 1.5
assign (resid  5    and  name  hg#  )(resid  7   and  name  he#  ) 5.0 3.2 1.5
assign (resid  6    and  name  he#  )(resid  4   and  name  hg2# ) 4.5 2.7 1.5
assign (resid  6    and  name  he#  )(resid  4   and  name  hg1# ) 3.5 1.2 0.3
assign (resid  6    and  name  ha   )(resid  4   and  name  hg1# ) 4.5 2.7 1.5
assign (resid  6    and  name  hd#  )(resid  6   and  name  hb2  ) 3.5 1.2 0.3
assign (resid  6    and  name  hd#  )(resid  6   and  name  hb1  ) 3.5 1.2 0.3
assign (resid  6    and  name  hd#  )(resid  6   and  name  ha   ) 3.5 1.2 0.3
assign (resid  6    and  name  he#  )(resid  6   and  name  hd#  ) 3.5 1.2 0.2
assign (resid  6    and  name  he#  )(resid  6   and  name  ha   ) 4.5 2.7 1.5
assign (resid  6    and  name  he#  )(resid  6   and  name  hb1  ) 4.5 2.7 1.5
assign (resid  6    and  name  he#  )(resid  6   and  name  hb2  ) 4.5 2.7 1.5
assign (resid  6    and  name  ha   )(resid  6   and  name  hb1  ) 3.0 1.2 0.3
assign (resid  6    and  name  ha   )(resid  6   and  name  hb2  ) 3.0 1.2 0.3
assign (resid  6    and  name  hd#  )(resid  78  and  name  ha   ) 5.0 3.2 1.5
assign (resid  6    and  name  he#  )(resid  78  and  name  ha   ) 5.0 3.2 1.5
assign (resid  6    and  name  he#  )(resid  78  and  name  hb#  ) 5.0 3.2 1.5
assign (resid  6    and  name  hd#  )(resid  80  and  name  ha   ) 3.5 1.7 0.3
assign (resid  6    and  name  hd#  )(resid  81  and  name  hg#  ) 4.5 2.7 1.5
assign (resid  7    and  name  he#  )(resid  5   and  name  he#  ) 4.5 2.7 1.5
assign (resid  7    and  name  hd#  )(resid  7   and  name  hb1  ) 3.5 1.2 0.3
assign (resid  7    and  name  hd#  )(resid  7   and  name  ha   ) 3.5 1.2 0.3
assign (resid  7    and  name  hd#  )(resid  7   and  name  hb2  ) 3.5 1.2 0.3
assign (resid  7    and  name  hb2  )(resid  7   and  name  he#  ) 4.5 2.7 1.5
assign (resid  7    and  name  he#  )(resid  7   and  name  ha   ) 4.5 2.7 1.5
assign (resid  7    and  name  he#  )(resid  7   and  name  hb1  ) 4.5 2.7 1.5
assign (resid  7    and  name  ha   )(resid  7   and  name  hb2  ) 3.0 1.2 0.3
assign (resid  7    and  name  hd#  )(resid  22  and  name  hh2  ) 4.5 2.7 1.5
assign (resid  7    and  name  hd#  )(resid  22  and  name  hz3  ) 4.5 2.7 1.5
assign (resid  7    and  name  he#  )(resid  22  and  name  hz3  ) 4.5 2.7 1.5
assign (resid  7    and  name  he#  )(resid  29  and  name  hg1# ) 4.5 2.7 1.5
assign (resid  7    and  name  hd#  )(resid  76  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  7    and  name  he#  )(resid  76  and  name  hg1# ) 4.5 2.7 1.5
assign (resid  7    and  name  he#  )(resid  76  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  7    and  name  he#  )(resid  76  and  name  hb   ) 3.5 1.2 0.3
assign (resid  7    and  name  he#  )(resid  76  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  7    and  name  he#  )(resid  77  and  name  ha#  ) 3.5 1.2 0.3
assign (resid  7    and  name  hd#  )(resid  77  and  name  ha#  ) 4.5 2.7 1.5
assign (resid  8    and  name  ha   )(resid  8   and  name  hb   ) 3.0 1.2 0.3
assign (resid  8    and  name  ha   )(resid  8   and  name  hg2# ) 3.0 1.2 0.3
assign (resid  8    and  name  ha   )(resid  79  and  name  hd1# ) 4.5 2.7 1.5
assign (resid  8    and  name  ha   )(resid  79  and  name  hd2# ) 4.5 2.7 1.5
assign (resid  8    and  name  ha   )(resid  80  and  name  ha   ) 4.0 2.2 1.5
assign (resid  9    and  name  ha   )(resid  79  and  name  hd1# ) 4.5 2.7 1.5
assign (resid  9    and  name  ha   )(resid  79  and  name  hd2# ) 4.0 2.2 1.5
assign (resid  12   and  name  hg2# )(resid  24  and  name  hg11 ) 3.5 1.7 1.5
assign (resid  12   and  name  hg2# )(resid  24  and  name  hg12 ) 3.5 1.7 1.5
assign (resid  12   and  name  hg2# )(resid  29  and  name  hg1# ) 5.0 3.2 1.5
assign (resid  12   and  name  hd#  )(resid  29  and  name  hg1# ) 5.0 3.2 1.5
assign (resid  12   and  name  hd#  )(resid  29  and  name  hg2# ) 5.0 3.2 1.5
assign (resid  12   and  name  hd#  )(resid  79  and  name  ha   ) 4.0 2.2 1.5
assign (resid  15   and  name  hd2  )(resid  12  and  name  ha   ) 3.0 1.2 1.5
assign (resid  15   and  name  hd2  )(resid  14  and  name  hb1  ) 3.0 1.2 0.3
assign (resid  15   and  name  hd2  )(resid  15  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  15   and  name  hd2  )(resid  15  and  name  ha   ) 4.0 2.2 1.5
assign (resid  15   and  name  hd2  )(resid  15  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  15   and  name  he1  )(resid  20  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  15   and  name  he1  )(resid  22  and  name  hz3  ) 4.0 2.2 1.5
assign (resid  15   and  name  he1  )(resid  22  and  name  hz2  ) 3.0 1.2 0.3
assign (resid  15   and  name  he1  )(resid  22  and  name  hh2  ) 4.0 2.2 1.5
assign (resid  15   and  name  hd2  )(resid  22  and  name  hz3  ) 4.0 2.2 1.5
assign (resid  16   and  name  ha   )(resid  21  and  name  hg2# ) 4.0 2.2 1.5
assign (resid  20   and  name  ha   )(resid  33  and  name  ha   ) 4.0 2.2 1.5
assign (resid  22   and  name  hh2  )(resid  7   and  name  hd#  ) 4.5 2.7 1.5
assign (resid  22   and  name  hz3  )(resid  11  and  name  hg2  ) 4.0 2.2 1.5
assign (resid  22   and  name  hz3  )(resid  11  and  name  hg1  ) 4.0 2.2 1.5
assign (resid  22   and  name  he3  )(resid  12  and  name  ha   ) 4.0 2.2 1.5
assign (resid  22   and  name  he3  )(resid  12  and  name  hg12 ) 4.0 2.2 1.5
assign (resid  22   and  name  he3  )(resid  12  and  name  hg11 ) 4.0 2.2 1.5
assign (resid  22   and  name  he3  )(resid  12  and  name  hg2# ) 4.0 2.2 1.5
assign (resid  22   and  name  ha   )(resid  12  and  name  hg2# ) 4.5 2.2 1.5
assign (resid  22   and  name  hz3  )(resid  12  and  name  hg11 ) 4.0 2.2 1.5
assign (resid  22   and  name  hz3  )(resid  12  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  22   and  name  he3  )(resid  12  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  22   and  name  hd1  )(resid  21  and  name  ha   ) 4.0 2.2 1.5
assign (resid  22   and  name  ha   )(resid  21  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  22   and  name  hd1  )(resid  22  and  name  ha   ) 3.0 1.2 0.3
assign (resid  22   and  name  hd1  )(resid  22  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  22   and  name  hd1  )(resid  22  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  22   and  name  he3  )(resid  22  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  22   and  name  he3  )(resid  22  and  name  ha   ) 4.0 2.2 1.5
assign (resid  22   and  name  he3  )(resid  22  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  22   and  name  he3  )(resid  22  and  name  hz3  ) 3.0 1.2 0.3
assign (resid  22   and  name  hz2  )(resid  22  and  name  hz3  ) 4.0 2.2 1.5
assign (resid  22   and  name  hh2  )(resid  22  and  name  hz2  ) 3.0 1.2 0.3
assign (resid  22   and  name  hh2  )(resid  22  and  name  hz3  ) 3.0 1.2 0.3
assign (resid  22   and  name  ha   )(resid  22  and  name  hb2  ) 3.0 1.2 0.3
assign (resid  22   and  name  ha   )(resid  22  and  name  hb1  ) 3.0 1.2 0.3
assign (resid  22   and  name  ha   )(resid  23  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  22   and  name  he3  )(resid  29  and  name  hg1# ) 3.5 1.7 0.3
assign (resid  22   and  name  ha   )(resid  29  and  name  hg1# ) 4.5 2.7 1.5
assign (resid  22   and  name  hz3  )(resid  29  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  22   and  name  hz3  )(resid  29  and  name  hg1# ) 4.5 2.7 1.5
assign (resid  22   and  name  hd1  )(resid  31  and  name  ha   ) 3.0 1.2 0.3
assign (resid  22   and  name  hd1  )(resid  31  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  22   and  name  ha   )(resid  31  and  name  ha   ) 3.0 1.2 0.3
assign (resid  22   and  name  hb1  )(resid  29  and  name  hg1# ) 4.5 2.7 1.5
assign (resid  22   and  name  hb2  )(resid  29  and  name  hg1# ) 4.5 2.7 1.5
assign (resid  22   and  name  hb1  )(resid  29  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  22   and  name  ha   )(resid  46  and  name  hg   ) 4.0 2.2 1.5
assign (resid  22   and  name  hd1  )(resid  76  and  name  hd#  ) 4.0 2.2 1.5
assign (resid  22   and  name  he3  )(resid  76  and  name  hd#  ) 4.0 2.2 1.5
assign (resid  22   and  name  hz2  )(resid  76  and  name  hd#  ) 4.0 2.2 1.5
assign (resid  22   and  name  hh2  )(resid  76  and  name  hd#  ) 4.0 2.2 1.5
assign (resid  22   and  name  hz3  )(resid  76  and  name  hd#  ) 4.0 2.2 1.5
assign (resid  23   and  name  hg1# )(resid  25  and  name  hd2# ) 4.5 2.7 1.5
assign (resid  23   and  name  hg1# )(resid  46  and  name  ha   ) 4.5 2.7 1.5
assign (resid  23   and  name  hg2# )(resid  46  and  name  ha   ) 4.5 2.7 1.5
assign (resid  23   and  name  hg1# )(resid  46  and  name  hd2# ) 5.0 3.2 1.5
assign (resid  23   and  name  hg1# )(resid  46  and  name  hd1# ) 5.0 3.2 1.5
assign (resid  23   and  name  hg2# )(resid  58  and  name  hd#  ) 5.0 3.2 1.5
assign (resid  24   and  name  ha   )(resid  24  and  name  hg2# ) 3.0 1.2 0.3
assign (resid  24   and  name  ha   )(resid  24  and  name  hb   ) 3.0 1.2 0.3
assign (resid  24   and  name  ha   )(resid  24  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  24   and  name  ha   )(resid  24  and  name  hg11 ) 4.0 2.2 1.5
assign (resid  24   and  name  ha   )(resid  24  and  name  hg12 ) 4.0 2.2 1.5
assign (resid  24   and  name  ha   )(resid  29  and  name  hg1# ) 4.0 2.2 1.5
assign (resid  24   and  name  ha   )(resid  29  and  name  hg2# ) 4.0 2.2 1.5
assign (resid  24   and  name  ha   )(resid  29  and  name  ha   ) 3.0 1.2 1.5
assign (resid  24   and  name  hg11 )(resid  29  and  name  ha   ) 4.0 2.2 1.5
assign (resid  24   and  name  hg2# )(resid  29  and  name  ha   ) 4.5 2.7 1.5
assign (resid  25   and  name  hd1# )(resid  25  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  25   and  name  hd2# )(resid  25  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  25   and  name  hd1# )(resid  25  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  25   and  name  hd2# )(resid  25  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  25   and  name  hb1  )(resid  30  and  name  he#  ) 4.0 2.2 1.5
assign (resid  25   and  name  hb2  )(resid  30  and  name  he#  ) 3.5 1.7 0.3
assign (resid  25   and  name  hb1  )(resid  26  and  name  hd2  ) 4.0 2.2 1.5
assign (resid  25   and  name  hb2  )(resid  26  and  name  hd2  ) 4.0 2.2 1.5
assign (resid  25   and  name  hg   )(resid  30  and  name  he#  ) 4.0 2.2 1.5
assign (resid  25   and  name  hd1# )(resid  55  and  name  ha   ) 5.0 3.2 1.5
assign (resid  25   and  name  hd1# )(resid  69  and  name  hg#  ) 5.0 3.2 1.5
assign (resid  26   and  name  hd2  )(resid  25  and  name  hd1# ) 4.0 2.2 1.5
assign (resid  26   and  name  hd2  )(resid  25  and  name  hd2# ) 4.0 2.2 1.5
assign (resid  26   and  name  hd2  )(resid  25  and  name  hg   ) 4.0 2.2 1.5
assign (resid  26   and  name  hd2  )(resid  26  and  name  hb#  ) 3.5 1.7 0.3
assign (resid  26   and  name  hd2  )(resid  26  and  name  ha   ) 4.0 2.2 1.5
assign (resid  27   and  name  hd2  )(resid  27  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  27   and  name  hd2  )(resid  27  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  27   and  name  hd2  )(resid  27  and  name  ha   ) 3.0 1.2 0.3
assign (resid  27   and  name  he1  )(resid  78  and  name  hb#  ) 4.0 2.2 0.3
assign (resid  27   and  name  hd2  )(resid  84  and  name  ha   ) 4.0 2.2 1.5
assign (resid  27   and  name  hd2  )(resid  84  and  name  hb#  ) 4.5 2.7 1.5
assign (resid  28   and  name  ha   )(resid  28  and  name  hg#  ) 4.5 2.7 1.5
assign (resid  28   and  name  hg#  )(resid  75  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  28   and  name  he#  )(resid  75  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  28   and  name  ha   )(resid  78  and  name  ha   ) 4.0 2.2 1.5
assign (resid  28   and  name  hg#  )(resid  78  and  name  ha   ) 4.5 2.7 1.5
assign (resid  29   and  name  ha   )(resid  29  and  name  hg1# ) 3.5 1.7 1.5
assign (resid  29   and  name  hg2# )(resid  78  and  name  ha   ) 4.5 2.7 1.5
assign (resid  29   and  name  hg2# )(resid  79  and  name  ha   ) 3.5 1.7 1.5
assign (resid  30   and  name  hd#  )(resid  24  and  name  ha   ) 4.5 2.7 1.5
assign (resid  30   and  name  he#  )(resid  24  and  name  ha   ) 4.5 2.7 1.5
assign (resid  30   and  name  he#  )(resid  25  and  name  hb1  ) 3.5 1.7 1.5 
assign (resid  30   and  name  he#  )(resid  25  and  name  hb2  ) 3.5 1.7 1.5
assign (resid  30   and  name  he#  )(resid  25  and  name  hg   ) 4.5 2.7 1.5
assign (resid  30   and  name  he#  )(resid  25  and  name  hd1# ) 4.5 2.7 1.5
assign (resid  30   and  name  he#  )(resid  25  and  name  hd2# ) 4.5 2.7 1.5
assign (resid  30   and  name  he#  )(resid  25  and  name  ha   ) 4.5 2.7 1.5
assign (resid  30   and  name  he#  )(resid  28  and  name  hb#  ) 4.5 2.7 1.5
assign (resid  30   and  name  hd#  )(resid  29  and  name  ha   ) 4.5 2.7 1.5
assign (resid  30   and  name  he#  )(resid  29  and  name  ha   ) 4.5 2.7 1.5
assign (resid  30   and  name  hd#  )(resid  30  and  name  ha   ) 4.5 2.7 1.5
assign (resid  30   and  name  he#  )(resid  30  and  name  ha   ) 4.5 2.7 1.5
assign (resid  30   and  name  he#  )(resid  30  and  name  hd#  ) 3.0 1.2 0.2
assign (resid  30   and  name  hd#  )(resid  30  and  name  hb1  ) 3.0 1.2 0.3
assign (resid  30   and  name  hd#  )(resid  30  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  30   and  name  ha   )(resid  30  and  name  hb1  ) 3.0 1.2 0.3
assign (resid  30   and  name  ha   )(resid  30  and  name  hb2  ) 3.0 1.2 0.3
assign (resid  30   and  name  he#  )(resid  71  and  name  ha   ) 4.5 2.7 1.5
assign (resid  30   and  name  he#  )(resid  71  and  name  hb#  ) 5.0 2.7 1.5
assign (resid  30   and  name  hd#  )(resid  75  and  name  hg11 ) 4.0 2.2 1.5
assign (resid  30   and  name  he#  )(resid  75  and  name  hg11 ) 4.5 2.7 1.5
assign (resid  30   and  name  hd#  )(resid  75  and  name  ha   ) 3.5 1.7 0.3
assign (resid  30   and  name  ha   )(resid  75  and  name  ha   ) 3.0 1.2 0.3
assign (resid  30   and  name  hb1  )(resid  75  and  name  ha   ) 4.0 2.2 1.5
assign (resid  30   and  name  ha   )(resid  75  and  name  hg12 ) 4.0 2.2 1.5
assign (resid  30   and  name  ha   )(resid  75  and  name  hg2# ) 3.5 1.7 0.3
assign (resid  31   and  name  ha   )(resid  31  and  name  hb2  ) 3.0 1.2 0.3
assign (resid  31   and  name  ha   )(resid  76  and  name  hg1# ) 4.5 2.7 1.5
assign (resid  31   and  name  hb1  )(resid  74  and  name  ha   ) 4.5 2.7 1.5
assign (resid  31   and  name  ha   )(resid  76  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  31   and  name  ha   )(resid  76  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  31   and  name  hb1  )(resid  76  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  31   and  name  hb1  )(resid  76  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  31   and  name  hb2  )(resid  76  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  32   and  name  hd1# )(resid  23  and  name  hb   ) 4.5 2.7 1.5
assign (resid  32   and  name  hd2# )(resid  30  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  32   and  name  hd2# )(resid  30  and  name  he#  ) 4.5 2.7 1.5
assign (resid  32   and  name  hd2# )(resid  35  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  32   and  name  hd2# )(resid  35  and  name  he#  ) 4.5 2.7 1.5
assign (resid  32   and  name  hd1# )(resid  46  and  name  hd1# ) 5.0 3.2 1.5
assign (resid  32   and  name  hd1# )(resid  46  and  name  hd2# ) 5.0 3.2 1.5
assign (resid  32   and  name  hd2# )(resid  71  and  name  ha   ) 4.5 2.7 1.5
assign (resid  32   and  name  hd2# )(resid  74  and  name  he#  ) 4.5 2.7 1.5
assign (resid  33   and  name  ha   )(resid  33  and  name  hg2# ) 3.5 1.7 0.3
assign (resid  33   and  name  ha   )(resid  36  and  name  hg   ) 3.0 1.2 0.3
assign (resid  33   and  name  ha   )(resid  36  and  name  hd1# ) 4.5 2.7 1.5
assign (resid  35   and  name  ha   )(resid  35  and  name  hb1  ) 3.0 1.2 0.3
assign (resid  35   and  name  hd#  )(resid  35  and  name  hb1  ) 3.5 1.7 0.3
assign (resid  35   and  name  hd#  )(resid  35  and  name  hb2  ) 3.5 1.7 0.3
assign (resid  35   and  name  hz   )(resid  45  and  name  hg1# ) 5.0 3.2 1.5
assign (resid  35   and  name  hz   )(resid  45  and  name  hg2# ) 5.0 3.2 1.5
assign (resid  35   and  name  hz   )(resid  45  and  name  hb   ) 5.0 3.2 1.5
assign (resid  35   and  name  hb1  )(resid  74  and  name  he#  ) 4.5 2.7 1.5
assign (resid  35   and  name  hd#  )(resid  74  and  name  he#  ) 4.5 2.7 1.5
assign (resid  35   and  name  ha   )(resid  74  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  35   and  name  ha   )(resid  74  and  name  he#  ) 4.5 2.7 1.5
assign (resid  36   and  name  ha   )(resid  46  and  name  hd1# ) 4.5 2.7 1.5
assign (resid  38   and  name  hb#  )(resid  74  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  38   and  name  hb#  )(resid  39  and  name  he1  ) 4.5 2.7 1.5
assign (resid  39   and  name  he1  )(resid  35  and  name  hd#  ) 4.0 2.2 1.5
assign (resid  39   and  name  he1  )(resid  35  and  name  ha   ) 4.0 2.2 1.5
assign (resid  39   and  name  hd2  )(resid  39  and  name  he1  ) 4.0 2.2 1.5
assign (resid  39   and  name  hd2  )(resid  39  and  name  ha   ) 4.0 2.2 1.5
assign (resid  39   and  name  ha   )(resid  40  and  name  hd1  ) 3.0 1.2 0.3
assign (resid  39   and  name  ha   )(resid  40  and  name  hd2  ) 3.0 1.2 0.3
assign (resid  39   and  name  he1  )(resid  63  and  name  hd2  ) 4.0 2.2 1.5
assign (resid  39   and  name  he1  )(resid  70  and  name  hd1# ) 4.5 2.7 1.5
assign (resid  39   and  name  he1  )(resid  70  and  name  hd2# ) 4.5 2.7 1.5
assign (resid  46   and  name  hd1# )(resid  30  and  name  hd#  ) 5.5 3.7 1.5
assign (resid  46   and  name  hd1# )(resid  35  and  name  he#  ) 5.5 3.7 1.5
assign (resid  46   and  name  hd1# )(resid  35  and  name  hd#  ) 5.5 3.7 1.5
assign (resid  46   and  name  hd1# )(resid  35  and  name  he#  ) 5.5 3.7 1.5
assign (resid  58   and  name  hd#  )(resid  55  and  name  hb   ) 4.5 2.7 1.5
assign (resid  58   and  name  hd#  )(resid  58  and  name  hb2  ) 3.5 1.7 0.3
assign (resid  58   and  name  hd#  )(resid  58  and  name  hb1  ) 3.5 1.7 0.3
assign (resid  63   and  name  hd2  )(resid  63  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  63   and  name  hd2  )(resid  63  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  70   and  name  hb1# )(resid  74  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  70   and  name  hb1# )(resid  74  and  name  he#  ) 4.5 2.7 1.5
assign (resid  70   and  name  hd1# )(resid  74  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  70   and  name  hd1# )(resid  74  and  name  he#  ) 4.5 2.7 1.5
assign (resid  70   and  name  hd1# )(resid  39  and  name  he1  ) 4.5 2.7 1.5
assign (resid  70   and  name  hd2# )(resid  74  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  70   and  name  hd2# )(resid  74  and  name  he#  ) 4.5 2.7 1.5
assign (resid  70   and  name  hd2# )(resid  39  and  name  he1  ) 4.5 2.7 1.5
assign (resid  71   and  name  hb#  )(resid  25  and  name  hd1# ) 4.5 2.7 1.5
assign (resid  71   and  name  hb#  )(resid  25  and  name  hd2# ) 4.5 2.7 1.5
assign (resid  71   and  name  hb#  )(resid  30  and  name  he#  ) 5.0 3.2 1.5
assign (resid  71   and  name  hb#  )(resid  58  and  name  he#  ) 5.0 3.2 1.5
assign (resid  73   and  name  ha   )(resid  73  and  name  hg2# ) 3.5 1.7 0.3
assign (resid  74   and  name  hd#  )(resid  39  and  name  he1  ) 4.5 2.7 1.5
assign (resid  74   and  name  he#  )(resid  73  and  name  hb   ) 4.0 2.2 1.5
assign (resid  74   and  name  hd#  )(resid  74  and  name  ha   ) 3.5 1.7 1.5
assign (resid  75   and  name  ha   )(resid  75  and  name  hb   ) 3.0 1.2 0.3
assign (resid  75   and  name  ha   )(resid  75  and  name  hg2# ) 4.0 2.2 1.5
assign (resid  75   and  name  ha   )(resid  75  and  name  hg11 ) 4.0 2.2 1.5
assign (resid  75   and  name  ha   )(resid  75  and  name  hg12 ) 4.0 2.2 1.5
assign (resid  75   and  name  hg2# )(resid  76  and  name  ha   ) 4.5 2.7 1.5
assign (resid  76   and  name  hd#  )(resid  29  and  name  hb   ) 4.0 2.2 1.5
assign (resid  76   and  name  hd#  )(resid  29  and  name  hg1# ) 3.5 1.7 0.3
assign (resid  76   and  name  hd#  )(resid  29  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  76   and  name  hd#  )(resid  76  and  name  hb   ) 3.0 1.2 0.3
assign (resid  76   and  name  ha   )(resid  76  and  name  hg2# ) 3.5 1.7 0.3
assign (resid  76   and  name  hd#  )(resid  76  and  name  hg2# ) 3.5 1.7 0.3
assign (resid  78   and  name  ha   )(resid  4   and  name  hg2# ) 4.5 2.7 1.5
assign (resid  78   and  name  ha   )(resid  29  and  name  hg2# ) 3.5 1.7 0.3
assign (resid  78   and  name  ha   )(resid  78  and  name  hg1  ) 3.0 1.2 0.3
assign (resid  78   and  name  ha   )(resid  78  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  78   and  name  ha   )(resid  78  and  name  hg2  ) 3.0 1.2 0.3
assign (resid  80   and  name  ha   )(resid  80  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  80   and  name  ha   )(resid  80  and  name  hb2  ) 3.0 1.2 0.3
assign (resid  80   and  name  hd2  )(resid  6   and  name  ha   ) 4.0 2.2 1.5
assign (resid  80   and  name  hd2  )(resid  8   and  name  ha   ) 4.5 2.7 1.5
assign (resid  80   and  name  hd2  )(resid  8   and  name  hg2# ) 4.5 2.7 1.5
assign (resid  80   and  name  he1  )(resid  80  and  name  ha   ) 4.0 2.2 1.5
assign (resid  80   and  name  hd2  )(resid  80  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  80   and  name  hd2  )(resid  80  and  name  hb2  ) 3.0 1.2 0.3
assign (resid  80   and  name  hd2  )(resid  80  and  name  ha   ) 4.0 2.2 1.5
assign (resid  80   and  name  he1  )(resid  81  and  name  hg2  ) 4.0 2.2 1.5
assign (resid  80   and  name  he1  )(resid  81  and  name  hd2  ) 4.0 2.2 1.5
assign (resid  80   and  name  he1  )(resid  82  and  name  hb#  ) 3.5 1.7 0.3
assign (resid  80   and  name  he1  )(resid  82  and  name  ha   ) 4.0 2.2 1.5
assign (resid  82   and  name  ha   )(resid  82  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  82   and  name  ha   )(resid  82  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  82   and  name  ha   )(resid  87  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  83   and  name  ha   )(resid  83  and  name  hb1  ) 3.0 1.2 0.3
assign (resid  83   and  name  ha   )(resid  83  and  name  hb2  ) 3.0 1.2 0.3
assign (resid  83   and  name  ha   )(resid  87  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  84   and  name  ha   )(resid  84  and  name  hb1  ) 3.0 1.2 0.3
assign (resid  84   and  name  ha   )(resid  84  and  name  hb2  ) 3.0 1.2 0.3
assign (resid  89   and  name  ha   )(resid  90  and  name  hd1  ) 3.0 1.2 1.5
assign (resid  89   and  name  ha   )(resid  90  and  name  hd2  ) 3.0 1.2 1.5
!h2o restraints
assign (resid  2    and  name  hn   )(resid  1   and  name  ha   ) 4.0 2.2 1.5
assign (resid  2    and  name  hn   )(resid  1   and  name  hb#  ) 4.0 2.2 1.5
assign (resid  3    and  name  hn   )(resid  2   and  name  ha   ) 4.0 2.2 1.5
assign (resid  3    and  name  hn   )(resid  3   and  name  hb1  ) 3.0 1.2 0.3
assign (resid  3    and  name  hn   )(resid  4   and  name  hn   ) 4.0 2.2 1.5
assign (resid  4    and  name  hn   )(resid  3   and  name  hb1  ) 4.0 2.2 1.5
assign (resid  4    and  name  hn   )(resid  3   and  name  hb2  ) 4.0 2.2 1.5
assign (resid  4    and  name  hn   )(resid  3   and  name  ha   ) 2.5 0.7 0.2
assign (resid  4    and  name  hn   )(resid  4   and  name  hg2# ) 4.0 2.2 1.5
assign (resid  4    and  name  hn   )(resid  4   and  name  hg1# ) 4.0 2.2 1.5
assign (resid  4    and  name  hn   )(resid  4   and  name  hb   ) 2.5 0.7 0.2
assign (resid  5    and  name  hn   )(resid  4   and  name  hn   ) 4.0 2.2 1.5
assign (resid  5    and  name  hn   )(resid  4   and  name  hg1# ) 4.0 2.2 1.5
assign (resid  5    and  name  hn   )(resid  4   and  name  hg2# ) 4.0 2.2 1.5
assign (resid  5    and  name  hn   )(resid  4   and  name  ha   ) 4.0 2.2 1.5
assign (resid  5    and  name  hn   )(resid  4   and  name  ha   ) 4.0 2.2 1.5
assign (resid  5    and  name  hn   )(resid  4   and  name  ha   ) 4.0 2.2 1.5
assign (resid  5    and  name  hn   )(resid  77  and  name  ha#  ) 4.5 2.7 1.5
assign (resid  6    and  name  hn   )(resid  6   and  name  ha   ) 4.0 2.2 1.5
assign (resid  7    and  name  hn   )(resid  6   and  name  hd#  ) 4.5 2.7 1.5
assign (resid  7    and  name  hn   )(resid  6   and  name  ha   ) 3.0 1.2 0.3
assign (resid  7    and  name  hn   )(resid  6   and  name  hb1  ) 4.0 2.2 1.5
assign (resid  7    and  name  hn   )(resid  6   and  name  hb2  ) 3.5 1.7 0.3
assign (resid  7    and  name  hn   )(resid  7   and  name  hd#  ) 3.5 1.7 0.3
assign (resid  8    and  name  hn   )(resid  7   and  name  ha   ) 3.0 1.2 0.3
assign (resid  8    and  name  hn   )(resid  7   and  name  hb2  ) 4.0 2.2 1.5
assign (resid  8    and  name  hn   )(resid  7   and  name  hb1  ) 4.0 2.2 1.5
assign (resid  8    and  name  hn   )(resid  7   and  name  hd#  ) 4.0 2.2 1.5
assign (resid  8    and  name  hn   )(resid  8   and  name  hg2# ) 3.5 1.7 0.3
assign (resid  8    and  name  hn   )(resid  8   and  name  ha   ) 4.0 2.2 1.5
assign (resid  8    and  name  hn   )(resid  80  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  9    and  name  hn   )(resid  8   and  name  hg2# ) 4.5 2.2 1.5
assign (resid  9    and  name  hn   )(resid  8   and  name  ha   ) 3.0 1.2 0.3
assign (resid  9    and  name  hn   )(resid  8   and  name  hb   ) 4.0 2.2 1.5
assign (resid  9    and  name  hn   )(resid  9   and  name  hg   ) 3.0 1.2 0.3
assign (resid  9    and  name  hn   )(resid  9   and  name  hd2# ) 4.5 2.7 1.5
assign (resid  9    and  name  hn   )(resid  9   and  name  hd1# ) 4.5 2.7 1.5
assign (resid  9    and  name  hn   )(resid  9   and  name  ha   ) 4.0 2.2 1.5
assign (resid  9    and  name  hn   )(resid  9   and  name  hb#  ) 3.0 1.2 0.3
assign (resid  9    and  name  hn   )(resid  10  and  name  hn   ) 4.0 2.2 1.5
assign (resid  9    and  name  hn   )(resid  79  and  name  hd2# ) 4.5 2.7 1.5
assign (resid  10   and  name  hn   )(resid  9   and  name  hb#  ) 3.5 1.7 0.5
assign (resid  10   and  name  hn   )(resid  9   and  name  hg   ) 4.0 2.2 1.5
assign (resid  10   and  name  hn   )(resid  10  and  name  hb1  ) 3.5 1.7 0.3
assign (resid  10   and  name  hn   )(resid  10  and  name  ha   ) 3.0 1.2 0.3
assign (resid  10   and  name  hn   )(resid  10  and  name  hb2  ) 3.5 1.7 0.3
assign (resid  10   and  name  hn   )(resid  11  and  name  hn   ) 3.0 1.2 0.3
assign (resid  12   and  name  hn   )(resid  11  and  name  hn   ) 3.0 1.2 0.3
assign (resid  12   and  name  hn   )(resid  12  and  name  ha   ) 3.0 1.2 0.3
assign (resid  12   and  name  hn   )(resid  12  and  name  hb   ) 4.0 2.2 1.5
assign (resid  12   and  name  hn   )(resid  12  and  name  hg11 ) 4.0 2.2 1.5
assign (resid  12   and  name  hn   )(resid  12  and  name  hg12 ) 4.0 2.2 1.5
assign (resid  12   and  name  hn   )(resid  12  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  13   and  name  hn   )(resid  12  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  13   and  name  hn   )(resid  12  and  name  hb   ) 3.0 1.2 0.3
assign (resid  13   and  name  hn   )(resid  14  and  name  hn   ) 3.0 1.2 0.3
assign (resid  14   and  name  hn   )(resid  14  and  name  ha   ) 3.0 1.2 0.3
assign (resid  14   and  name  hn   )(resid  15  and  name  hn   ) 3.0 1.2 0.3
assign (resid  14   and  name  hn   )(resid  15  and  name  hd2  ) 4.5 2.7 1.5
assign (resid  16   and  name  hn   )(resid  15  and  name  ha   ) 3.5 1.7 0.3
assign (resid  17   and  name  hn   )(resid  16  and  name  ha   ) 4.0 2.2 1.5
assign (resid  20   and  name  hn   )(resid  19  and  name  ha   ) 4.0 2.2 1.5
assign (resid  21   and  name  hn   )(resid  20  and  name  ha   ) 3.0 1.2 0.3
assign (resid  21   and  name  hn   )(resid  21  and  name  hb   ) 3.0 1.2 0.3
assign (resid  21   and  name  hn   )(resid  21  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  21   and  name  hn   )(resid  22  and  name  hd1  ) 4.0 2.2 1.5
assign (resid  21   and  name  hn   )(resid  33  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  22   and  name  hn   )(resid  15  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  22   and  name  hn   )(resid  15  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  22   and  name  hn   )(resid  21  and  name  hg2# ) 3.5 1.7 0.3
assign (resid  22   and  name  he1  )(resid  22  and  name  hz2  ) 3.0 1.2 0.3
assign (resid  22   and  name  he1  )(resid  22  and  name  hd1  ) 3.0 1.2 0.3
assign (resid  22   and  name  hn   )(resid  22  and  name  hd1  ) 4.0 2.2 1.5
assign (resid  22   and  name  hn   )(resid  22  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  22   and  name  hn   )(resid  22  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  22   and  name  hn   )(resid  22  and  name  ha   ) 4.0 2.2 1.5
assign (resid  22   and  name  he1  )(resid  76  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  23   and  name  hn   )(resid  22  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  23   and  name  hn   )(resid  22  and  name  ha   ) 3.0 1.2 0.3
assign (resid  23   and  name  hn   )(resid  22  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  23   and  name  hn   )(resid  22  and  name  hd1  ) 4.0 2.2 1.5
assign (resid  23   and  name  hn   )(resid  23  and  name  hb   ) 4.0 2.2 1.5
assign (resid  23   and  name  hn   )(resid  23  and  name  hg2# ) 3.5 1.7 0.3
assign (resid  23   and  name  hn   )(resid  23  and  name  hg1# ) 4.5 2.2 1.5
assign (resid  23   and  name  hn   )(resid  29  and  name  hg1# ) 4.5 2.7 1.5
assign (resid  24   and  name  hn   )(resid  24  and  name  hd#  ) 3.5 1.2 0.3
assign (resid  24   and  name  hn   )(resid  24  and  name  hb   ) 3.0 1.2 0.3
assign (resid  25   and  name  hn   )(resid  24  and  name  ha   ) 3.0 1.2 0.3
assign (resid  25   and  name  hn   )(resid  24  and  name  hg2# ) 3.0 1.2 0.3
assign (resid  25   and  name  hn   )(resid  24  and  name  hb   ) 4.0 2.2 1.5
assign (resid  25   and  name  hn   )(resid  25  and  name  hd2# ) 4.5 2.7 1.5
assign (resid  25   and  name  hn   )(resid  25  and  name  hd1# ) 4.5 2.7 1.5
assign (resid  25   and  name  hn   )(resid  25  and  name  hg   ) 4.0 2.2 1.5
assign (resid  25   and  name  hn   )(resid  28  and  name  hn   ) 4.0 2.2 1.5
assign (resid  25   and  name  hn   )(resid  29  and  name  ha   ) 4.0 2.2 1.5
assign (resid  25   and  name  hn   )(resid  30  and  name  he#  ) 4.5 2.7 1.5
assign (resid  25   and  name  hn   )(resid  30  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  26   and  name  hn   )(resid  25  and  name  ha   ) 4.0 2.2 1.5
assign (resid  26   and  name  hn   )(resid  26  and  name  ha   ) 4.0 2.2 1.5
assign (resid  26   and  name  hn   )(resid  26  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  26   and  name  hn   )(resid  26  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  27   and  name  hn   )(resid  24  and  name  hg2# ) 3.5 1.7 0.3
assign (resid  27   and  name  hn   )(resid  26  and  name  ha   ) 4.0 2.2 1.5
assign (resid  27   and  name  hn   )(resid  27  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  27   and  name  hn   )(resid  27  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  27   and  name  hn   )(resid  28  and  name  hn   ) 4.0 2.2 1.5
assign (resid  29   and  name  hn   )(resid  29  and  name  hg1# ) 4.5 2.7 1.5
assign (resid  29   and  name  hn   )(resid  29  and  name  hg2# ) 3.5 1.7 0.3
assign (resid  29   and  name  hn   )(resid  29  and  name  ha   ) 4.0 2.2 1.5
assign (resid  29   and  name  hn   )(resid  29  and  name  hb   ) 4.0 2.2 1.5
assign (resid  29   and  name  hn   )(resid  75  and  name  hg2# ) 3.0 1.2 0.3
assign (resid  29   and  name  hn   )(resid  76  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  29   and  name  hn   )(resid  76  and  name  hn   ) 4.0 2.2 1.5
assign (resid  29   and  name  hn   )(resid  77  and  name  hn   ) 4.0 2.2 1.5
assign (resid  29   and  name  hn   )(resid  78  and  name  ha   ) 4.0 2.2 1.5
assign (resid  30   and  name  hn   )(resid  23  and  name  hn   ) 4.0 2.2 1.5
assign (resid  30   and  name  hn   )(resid  23  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  30   and  name  hn   )(resid  24  and  name  ha   ) 4.0 2.2 1.5
assign (resid  30   and  name  hn   )(resid  29  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  30   and  name  hn   )(resid  29  and  name  hg1# ) 3.5 1.7 0.3
assign (resid  30   and  name  hn   )(resid  29  and  name  ha   ) 3.0 1.2 0.3
assign (resid  30   and  name  hn   )(resid  30  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  30   and  name  hn   )(resid  30  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  30   and  name  hn   )(resid  30  and  name  hd#  ) 4.0 2.2 1.5
assign (resid  31   and  name  hn   )(resid  22  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  31   and  name  hn   )(resid  22  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  31   and  name  hn   )(resid  30  and  name  ha   ) 3.0 1.2 0.3
assign (resid  31   and  name  hn   )(resid  74  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  32   and  name  hn   )(resid  22  and  name  ha   ) 4.0 2.2 1.5
assign (resid  32   and  name  hn   )(resid  31  and  name  ha   ) 4.0 2.2 1.5
assign (resid  34   and  name  hn   )(resid  34  and  name  ha   ) 4.0 2.2 1.5
assign (resid  34   and  name  hn   )(resid  74  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  35   and  name  hn   )(resid  34  and  name  hn   ) 4.0 2.2 1.5
assign (resid  35   and  name  hn   )(resid  35  and  name  hb2  ) 3.0 1.2 0.3
assign (resid  35   and  name  hn   )(resid  35  and  name  ha   ) 3.0 1.2 0.3
assign (resid  35   and  name  hn   )(resid  35  and  name  hb1  ) 3.5 1.2 1.5
assign (resid  35   and  name  hn   )(resid  36  and  name  hn   ) 4.0 2.2 1.5
assign (resid  35   and  name  hn   )(resid  74  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  35   and  name  hn   )(resid  74  and  name  he#  ) 4.5 2.7 1.5
assign (resid  36   and  name  hn   )(resid  35  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  36   and  name  hn   )(resid  35  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  36   and  name  hn   )(resid  36  and  name  hg   ) 4.0 2.2 1.5
assign (resid  36   and  name  hn   )(resid  36  and  name  hb#  ) 3.0 1.2 0.3
assign (resid  36   and  name  hn   )(resid  36  and  name  ha   ) 3.0 1.2 0.3
assign (resid  36   and  name  hn   )(resid  36  and  name  hd1# ) 4.0 2.2 1.5
assign (resid  37   and  name  hn   )(resid  36  and  name  hn   ) 4.0 2.2 1.5
assign (resid  41   and  name  hn   )(resid  39  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  41   and  name  hn   )(resid  40  and  name  ha   ) 3.0 1.2 0.3
assign (resid  41   and  name  hn   )(resid  41  and  name  ha#  ) 3.0 1.2 0.3
assign (resid  41   and  name  hn   )(resid  42  and  name  hn   ) 4.0 2.2 1.5
assign (resid  42   and  name  hn   )(resid  42  and  name  ha1  ) 3.0 1.2 0.3
assign (resid  42   and  name  hn   )(resid  43  and  name  hn   ) 4.0 2.2 1.5
assign (resid  43   and  name  hn   )(resid  42  and  name  ha1  ) 4.0 2.2 1.5
assign (resid  43   and  name  hn   )(resid  42  and  name  ha2  ) 3.0 1.2 0.3
assign (resid  43   and  name  hn   )(resid  43  and  name  hb#  ) 3.0 1.2 0.3
assign (resid  43   and  name  hn   )(resid  43  and  name  ha   ) 3.0 1.2 0.3
assign (resid  44   and  name  hn   )(resid  43  and  name  ha   ) 3.5 1.7 0.7
assign (resid  44   and  name  hn   )(resid  43  and  name  hn   ) 4.0 2.2 1.5
assign (resid  44   and  name  hn   )(resid  44  and  name  hb1  ) 3.0 1.2 0.3
assign (resid  44   and  name  hn   )(resid  44  and  name  hg#  ) 3.0 1.2 0.3
assign (resid  44   and  name  hn   )(resid  44  and  name  ha   ) 3.0 1.2 0.3
assign (resid  44   and  name  hn   )(resid  44  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  44   and  name  hn   )(resid  45  and  name  hn   ) 4.0 2.2 0.3
assign (resid  44   and  name  hn   )(resid  45  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  45   and  name  hn   )(resid  44  and  name  ha   ) 3.0 1.2 0.3
assign (resid  45   and  name  hn   )(resid  45  and  name  hg1# ) 3.0 1.2 0.3
assign (resid  45   and  name  hn   )(resid  45  and  name  ha   ) 4.0 2.2 1.5
assign (resid  45   and  name  hn   )(resid  46  and  name  hn   ) 4.0 2.2 1.5
assign (resid  45   and  name  hn   )(resid  45  and  name  hg2# ) 4.0 2.2 1.5
assign (resid  46   and  name  hn   )(resid  32  and  name  hd1# ) 5.0 3.2 1.5
assign (resid  46   and  name  hn   )(resid  32  and  name  hd2# ) 5.0 3.2 1.5
assign (resid  46   and  name  hn   )(resid  45  and  name  ha   ) 3.0 1.2 0.3
assign (resid  46   and  name  hn   )(resid  45  and  name  hg1# ) 4.5 2.7 1.5
assign (resid  46   and  name  hn   )(resid  45  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  46   and  name  hn   )(resid  46  and  name  ha   ) 4.0 2.2 1.5
assign (resid  48   and  name  hn   )(resid  45  and  name  ha   ) 4.0 2.2 1.5
assign (resid  58   and  name  hn   )(resid  58  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  58   and  name  hn   )(resid  58  and  name  hb1  ) 3.5 1.2 0.3
assign (resid  58   and  name  hn   )(resid  58  and  name  hb2  ) 3.5 1.2 0.3
assign (resid  59   and  name  hn   )(resid  58  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  60   and  name  hn   )(resid  60  and  name  hb1  ) 2.5 0.7 0.2
assign (resid  60   and  name  hn   )(resid  60  and  name  hb2  ) 3.5 1.7 0.3
assign (resid  61   and  name  hn   )(resid  60  and  name  hb1  ) 3.0 1.2 0.3
assign (resid  61   and  name  hn   )(resid  60  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  61   and  name  hn   )(resid  60  and  name  ha   ) 3.5 1.7 0.3
assign (resid  61   and  name  hn   )(resid  61  and  name  hb   ) 3.0 1.2 0.3
assign (resid  61   and  name  hn   )(resid  61  and  name  ha   ) 3.0 1.2 0.3
assign (resid  61   and  name  hn   )(resid  61  and  name  hg1# ) 3.0 1.2 0.2
assign (resid  62   and  name  hn   )(resid  61  and  name  hg1# ) 3.5 1.7 0.3
assign (resid  62   and  name  hn   )(resid  61  and  name  hn   ) 4.0 2.2 1.5
assign (resid  62   and  name  hn   )(resid  61  and  name  ha   ) 3.0 1.2 0.3
assign (resid  62   and  name  hn   )(resid  62  and  name  ha#  ) 2.5 0.7 0.2
assign (resid  64   and  name  hn   )(resid  63  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  73   and  name  hn   )(resid  73  and  name  hg2# ) 3.5 1.7 0.3
assign (resid  73   and  name  hn   )(resid  73  and  name  ha   ) 3.0 1.2 0.3
assign (resid  73   and  name  hn   )(resid  73  and  name  hb   ) 3.0 1.2 0.3
assign (resid  73   and  name  hn   )(resid  74  and  name  hn   ) 4.0 2.2 1.5
assign (resid  73   and  name  hn   )(resid  74  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  74   and  name  hn   )(resid  74  and  name  hd#  ) 3.5 1.2 0.3
assign (resid  75   and  name  hn   )(resid  75  and  name  hg11 ) 4.0 2.2 1.5
assign (resid  75   and  name  hn   )(resid  75  and  name  hg12 ) 3.0 1.2 0.3
assign (resid  75   and  name  hn   )(resid  75  and  name  hg2# ) 4.0 2.2 1.5
assign (resid  76   and  name  hn   )(resid  31  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  76   and  name  hn   )(resid  75  and  name  hg2# ) 3.5 1.7 0.3
assign (resid  76   and  name  hn   )(resid  75  and  name  ha   ) 3.0 1.2 0.3
assign (resid  76   and  name  hn   )(resid  76  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  76   and  name  hn   )(resid  76  and  name  ha   ) 4.0 2.2 1.5
assign (resid  76   and  name  hn   )(resid  76  and  name  hb   ) 4.0 2.2 1.5
assign (resid  76   and  name  hn   )(resid  76  and  name  hg12 ) 3.0 1.2 0.3
assign (resid  76   and  name  hn   )(resid  76  and  name  hg11 ) 3.0 1.2 0.3
assign (resid  76   and  name  hn   )(resid  77  and  name  hn   ) 3.0 1.2 0.3
assign (resid  77   and  name  hn   )(resid  29  and  name  hb   ) 4.0 2.2 1.5
assign (resid  77   and  name  hn   )(resid  75  and  name  ha   ) 4.0 2.2 1.5
assign (resid  77   and  name  hn   )(resid  75  and  name  hg2# ) 3.0 1.2 0.2
assign (resid  77   and  name  hn   )(resid  76  and  name  ha   ) 4.0 2.2 1.5
assign (resid  77   and  name  hn   )(resid  76  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  77   and  name  hn   )(resid  76  and  name  hg12 ) 4.0 2.2 1.5
assign (resid  77   and  name  hn   )(resid  76  and  name  hg11 ) 4.0 2.2 1.5
assign (resid  77   and  name  hn   )(resid  76  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  77   and  name  hn   )(resid  76  and  name  hb   ) 3.0 1.2 0.3
assign (resid  77   and  name  hn   )(resid  77  and  name  ha1  ) 3.0 1.2 0.3
assign (resid  77   and  name  hn   )(resid  77  and  name  ha2  ) 3.0 1.2 0.3
assign (resid  78   and  name  hn   )(resid  4   and  name  hg1# ) 4.5 2.7 1.5
assign (resid  78   and  name  hn   )(resid  4   and  name  hg2# ) 4.5 2.7 1.5
assign (resid  78   and  name  hn   )(resid  6   and  name  hd#  ) 4.0 2.2 1.5
assign (resid  78   and  name  hn   )(resid  6   and  name  ha   ) 4.0 2.2 1.5
assign (resid  78   and  name  hn   )(resid  7   and  name  hn   ) 4.0 2.2 1.5
assign (resid  78   and  name  hn   )(resid  7   and  name  hd#  ) 4.5 2.7 1.5
assign (resid  78   and  name  hn   )(resid  7   and  name  he#  ) 4.5 2.7 1.5
assign (resid  78   and  name  hn   )(resid  77  and  name  ha1  ) 3.0 1.2 0.3
assign (resid  78   and  name  hn   )(resid  77  and  name  ha2  ) 3.0 1.2 0.3
assign (resid  78   and  name  hn   )(resid  78  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  78   and  name  hn   )(resid  78  and  name  hg#  ) 4.0 2.2 1.5
assign (resid  78   and  name  hn   )(resid  78  and  name  ha   ) 4.0 2.2 1.5
assign (resid  79   and  name  hn   )(resid  29  and  name  hn   ) 4.5 2.7 1.5
assign (resid  79   and  name  hn   )(resid  29  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  79   and  name  hn   )(resid  78  and  name  ha   ) 3.0 1.2 0.3
assign (resid  79   and  name  hn   )(resid  79  and  name  hb#  ) 3.0 1.2 0.3
assign (resid  79   and  name  hn   )(resid  79  and  name  hd2# ) 4.0 2.2 1.5
assign (resid  80   and  name  hn   )(resid  7   and  name  hn   ) 4.0 2.2 1.5
assign (resid  80   and  name  hn   )(resid  79  and  name  hd2# ) 4.0 2.2 1.5
assign (resid  80   and  name  hn   )(resid  79  and  name  ha   ) 4.0 2.2 1.5
assign (resid  80   and  name  hn   )(resid  79  and  name  hg   ) 4.0 2.2 1.5
assign (resid  80   and  name  hn   )(resid  80  and  name  hb1  ) 3.0 1.2 0.3
assign (resid  80   and  name  hn   )(resid  80  and  name  hb2  ) 3.0 1.2 0.3
assign (resid  80   and  name  hn   )(resid  80  and  name  ha   ) 4.0 2.2 1.5
assign (resid  82   and  name  hn   )(resid  80  and  name  he1  ) 3.0 1.2 0.3
assign (resid  82   and  name  hn   )(resid  80  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  82   and  name  hn   )(resid  81  and  name  ha   ) 4.0 2.2 1.5
assign (resid  82   and  name  hn   )(resid  81  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  82   and  name  hn   )(resid  81  and  name  hg2  ) 4.0 2.2 1.5
assign (resid  82   and  name  hn   )(resid  81  and  name  hd2  ) 3.0 1.2 0.3
assign (resid  82   and  name  ha   )(resid  82  and  name  hn   ) 4.0 2.2 1.5
assign (resid  82   and  name  hn   )(resid  82  and  name  hb#  ) 3.5 1.7 0.3
assign (resid  82   and  name  hn   )(resid  83  and  name  hn   ) 3.0 1.2 0.3
assign (resid  83   and  name  hn   )(resid  83  and  name  ha   ) 4.0 2.2 1.5
assign (resid  83   and  name  hn   )(resid  84  and  name  hn   ) 3.0 1.2 0.3
assign (resid  84   and  name  hn   )(resid  84  and  name  ha   ) 3.0 1.2 0.3
assign (resid  86   and  name  hn   )(resid  86  and  name  ha   ) 3.0 1.2 0.3
assign (resid  86   and  name  hn   )(resid  87  and  name  hn   ) 3.0 1.2 0.3
assign (resid  87   and  name  hn   )(resid  87  and  name  hg2# ) 4.0 2.2 1.5
assign (resid  87   and  name  hn   )(resid  87  and  name  hg11 ) 3.5 1.7 0.3
assign (resid  87   and  name  hn   )(resid  87  and  name  hb   ) 3.5 1.7 0.5
assign (resid  87   and  name  hn   )(resid  87  and  name  hg12 ) 3.5 1.7 0.3
assign (resid  87   and  name  hn   )(resid  87  and  name  ha   ) 3.0 1.2 0.3
assign (resid  87   and  name  hn   )(resid  87  and  name  hd#  ) 4.0 2.2 1.5
assign (resid  88   and  name  hn   )(resid  87  and  name  hn   ) 4.0 2.2 1.5
assign (resid  88   and  name  hn   )(resid  88  and  name  ha   ) 3.0 1.2 0.3
assign (resid  89   and  name  hn   )(resid  88  and  name  hn   ) 4.0 2.2 1.5
assign (resid  94   and  name  hn   )(resid  93  and  name  ha   ) 3.0 1.2 0.3
assign (resid  94   and  name  hn   )(resid  93  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  94   and  name  hn   )(resid  94  and  name  hb#  ) 3.0 1.2 0.3
!3d n15 restraints
assign (resid  4    and  name  hn   )(resid  4   and  name  ha   ) 4.0 2.2 1.5
assign (resid  5    and  name  hn   )(resid  5   and  name  ha   ) 4.0 2.2 1.5
assign (resid  5    and  name  hn   )(resid  5   and  name  hb#  ) 3.5 1.7 1.5
assign (resid  5    and  name  hn   )(resid  5   and  name  hg#  ) 4.5 2.7 1.5
assign (resid  5    and  name  hn   )(resid  77  and  name  ha1  ) 4.0 2.2 1.5
assign (resid  6    and  name  hn   )(resid  5   and  name  ha   ) 3.0 1.2 0.3
assign (resid  6    and  name  hn   )(resid  5   and  name  hb2  ) 4.0 2.2 1.5
assign (resid  6    and  name  hn   )(resid  6   and  name  hb1  ) 4.0 2.2 1.5
assign (resid  6    and  name  hn   )(resid  6   and  name  hb2  ) 4.0 2.2 1.5
assign (resid  7    and  name  hn   )(resid  7   and  name  ha   ) 4.0 2.2 1.5
assign (resid  7    and  name  hn   )(resid  29  and  name  hg1# ) 4.5 2.7 1.5
assign (resid  7    and  name  hn   )(resid  79  and  name  ha   ) 4.5 2.7 1.5
assign (resid  8    and  name  hn   )(resid  11  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  8    and  name  hn   )(resid  11  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  9    and  name  hn   )(resid  83  and  name  hb1  ) 4.5 2.7 1.5
assign (resid  9    and  name  hn   )(resid  83  and  name  hb2  ) 4.5 2.7 1.5
assign (resid  10   and  name  hn   )(resid  8   and  name  hb   ) 4.0 2.2 1.5
assign (resid  10   and  name  hn   )(resid  8   and  name  hg2# ) 4.5 2.7 1.5
assign (resid  11   and  name  hn   )(resid  10  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  11   and  name  hn   )(resid  11  and  name  hb#  ) 3.5 1.7 1.5
assign (resid  12   and  name  hn   )(resid  9   and  name  ha   ) 4.0 2.2 0.3
assign (resid  12   and  name  hn   )(resid  11  and  name  ha   ) 3.5 1.7 0.3
assign (resid  12   and  name  hn   )(resid  11  and  name  hg1  ) 4.0 2.2 1.5
assign (resid  13   and  name  hn   )(resid  10  and  name  ha   ) 4.0 2.2 1.5
assign (resid  13   and  name  hn   )(resid  13  and  name  ha   ) 4.0 2.2 1.5
assign (resid  13   and  name  he22 )(resid  9   and  name  hd1# ) 4.5 2.7 1.5
assign (resid  13   and  name  he22 )(resid  9   and  name  hd2# ) 4.5 2.7 1.5
assign (resid  14   and  name  hn   )(resid  11  and  name  ha   ) 4.0 2.2 1.5
assign (resid  14   and  name  hn   )(resid  14  and  name  hb#  ) 3.0 1.2 0.3
assign (resid  15   and  name  hn   )(resid  14  and  name  ha   ) 4.0 2.2 1.5
assign (resid  15   and  name  hn   )(resid  14  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  15   and  name  hn   )(resid  15  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  15   and  name  hn   )(resid  15  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  15   and  name  hn   )(resid  15  and  name  hd2  ) 4.0 2.2 1.5
assign (resid  16   and  name  hn   )(resid  16  and  name  ha   ) 4.0 2.2 1.5
assign (resid  18   and  name  hn   )(resid  17  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  18   and  name  hn   )(resid  17  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  18   and  name  hn   )(resid  17  and  name  ha   ) 4.0 2.2 1.5
assign (resid  18   and  name  hn   )(resid  18  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  19   and  name  hn   )(resid  18  and  name  ha   ) 4.0 2.2 1.5
assign (resid  19   and  name  hn   )(resid  19  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  19   and  name  hn   )(resid  19  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  20   and  name  hn   )(resid  19  and  name  hn   ) 3.0 1.2 1.5
assign (resid  20   and  name  hn   )(resid  19  and  name  hb1  ) 3.0 1.2 0.3
assign (resid  20   and  name  hn   )(resid  19  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  21   and  name  hn   )(resid  33  and  name  ha   ) 4.0 2.2 1.5
assign (resid  22   and  name  hn   )(resid  21  and  name  ha   ) 4.0 2.2 1.5
assign (resid  24   and  name  hn   )(resid  23  and  name  ha   ) 4.0 2.2 1.5
assign (resid  24   and  name  hn   )(resid  23  and  name  hb   ) 4.0 2.2 1.5
assign (resid  24   and  name  hn   )(resid  24  and  name  ha   ) 3.0 1.2 0.3
assign (resid  25   and  name  hn   )(resid  26  and  name  hn   ) 4.0 2.2 1.5
assign (resid  25   and  name  hn   )(resid  25  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  25   and  name  hn   )(resid  25  and  name  hb2  ) 3.0 1.2 0.3
assign (resid  27   and  name  hn   )(resid  24  and  name  hb   ) 4.5 2.7 1.5
assign (resid  29   and  name  hn   )(resid  28  and  name  ha   ) 4.0 2.2 1.5
assign (resid  31   and  name  hn   )(resid  30  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  31   and  name  hn   )(resid  75  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  31   and  name  hn   )(resid  76  and  name  hg11 ) 4.0 2.2 1.5
assign (resid  31   and  name  hn   )(resid  76  and  name  hg12 ) 4.0 2.2 1.5
assign (resid  31   and  name  hn   )(resid  76  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  31   and  name  hn   )(resid  76  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  32   and  name  hn   )(resid  32  and  name  hb#  ) 4.5 2.7 1.5
assign (resid  32   and  name  hn   )(resid  32  and  name  hg   ) 4.0 2.2 1.5
assign (resid  32   and  name  hn   )(resid  32  and  name  hd1# ) 4.5 2.7 1.5
assign (resid  32   and  name  hn   )(resid  32  and  name  hd2# ) 4.5 2.7 1.5
assign (resid  33   and  name  hn   )(resid  21  and  name  hn   ) 4.5 2.7 1.5
assign (resid  33   and  name  hn   )(resid  32  and  name  ha   ) 3.5 1.7 0.3
assign (resid  33   and  name  hn   )(resid  32  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  33   and  name  hn   )(resid  34  and  name  hn   ) 4.0 2.2 1.5
assign (resid  34   and  name  hn   )(resid  33  and  name  ha   ) 4.0 4.2 1.5
assign (resid  35   and  name  hn   )(resid  32  and  name  ha   ) 4.0 2.2 1.5
assign (resid  35   and  name  hn   )(resid  32  and  name  hd2# ) 4.5 2.7 1.5
assign (resid  35   and  name  hn   )(resid  35  and  name  ha   ) 4.0 2.2 1.5
assign (resid  35   and  name  hn   )(resid  35  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  37   and  name  hn   )(resid  36  and  name  hb#  ) 3.5 1.7 1.5
assign (resid  37   and  name  hn   )(resid  36  and  name  hd1# ) 4.5 2.7 1.5
assign (resid  37   and  name  hn   )(resid  37  and  name  hb#  ) 4.5 2.7 1.5
assign (resid  37   and  name  hn   )(resid  38  and  name  hn   ) 3.0 1.2 1.5
assign (resid  38   and  name  hn   )(resid  37  and  name  ha   ) 4.0 2.2 1.5
assign (resid  38   and  name  hn   )(resid  37  and  name  hb1  ) 3.0 2.2 1.5
assign (resid  38   and  name  hn   )(resid  37  and  name  hg1  ) 4.0 2.2 1.5
assign (resid  38   and  name  hn   )(resid  38  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  38   and  name  hn   )(resid  39  and  name  hn   ) 3.0 1.2 1.5
assign (resid  39   and  name  hn   )(resid  36  and  name  ha   ) 4.0 2.2 1.5
assign (resid  39   and  name  hn   )(resid  37  and  name  ha   ) 4.0 2.2 1.5
assign (resid  39   and  name  hn   )(resid  39  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  39   and  name  hn   )(resid  45  and  name  hg2# ) 5.0 2.2 1.5
assign (resid  41   and  name  hn   )(resid  39  and  name  ha   ) 4.0 2.2 1.5
assign (resid  41   and  name  hn   )(resid  40  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  41   and  name  hn   )(resid  45  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  42   and  name  hn   )(resid  45  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  46   and  name  hn   )(resid  45  and  name  hb   ) 4.0 2.2 1.5
assign (resid  47   and  name  hn   )(resid  46  and  name  hn   ) 4.0 2.2 1.5
assign (resid  47   and  name  hn   )(resid  46  and  name  ha   ) 4.0 2.2 1.5
assign (resid  47   and  name  hn   )(resid  46  and  name  hg   ) 4.0 2.2 1.5
assign (resid  47   and  name  hn   )(resid  47  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  47   and  name  hn   )(resid  48  and  name  hn   ) 4.0 2.2 1.5
assign (resid  48   and  name  hn   )(resid  47  and  name  ha   ) 4.0 2.2 1.5
assign (resid  49   and  name  hn   )(resid  48  and  name  ha   ) 4.0 2.2 1.5
assign (resid  49   and  name  he22 )(resid  23  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  50   and  name  hn   )(resid  49  and  name  ha   ) 3.0 1.2 0.3
assign (resid  52   and  name  hn   )(resid  51  and  name  ha#  ) 3.0 1.2 0.3
assign (resid  53   and  name  hn   )(resid  52  and  name  ha#  ) 4.0 2.2 1.5
assign (resid  54   and  name  hn   )(resid  53  and  name  ha   ) 4.0 2.2 1.5
assign (resid  54   and  name  hn   )(resid  53  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  55   and  name  hn   )(resid  54  and  name  hb#  ) 4.5 2.7 1.5
assign (resid  55   and  name  hn   )(resid  54  and  name  ha   ) 4.0 2.2 1.5
assign (resid  56   and  name  hn   )(resid  55  and  name  ha   ) 4.0 2.2 1.5
assign (resid  56   and  name  hn   )(resid  55  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  56   and  name  hn   )(resid  56  and  name  ha   ) 4.0 2.2 1.5
assign (resid  56   and  name  hn   )(resid  56  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  57   and  name  hn   )(resid  56  and  name  ha   ) 4.0 2.2 1.5
assign (resid  57   and  name  hn   )(resid  56  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  58   and  name  hn   )(resid  57  and  name  ha   ) 4.0 2.2 1.5
assign (resid  58   and  name  hn   )(resid  57  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  59   and  name  hn   )(resid  58  and  name  ha   ) 4.0 2.2 1.5
assign (resid  59   and  name  hn   )(resid  59  and  name  ha   ) 4.0 2.2 1.5
assign (resid  59   and  name  hn   )(resid  59  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  60   and  name  hn   )(resid  59  and  name  ha   ) 4.0 2.2 1.5
assign (resid  60   and  name  hn   )(resid  59  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  62   and  name  hn   )(resid  61  and  name  hb   ) 4.0 2.2 1.5
assign (resid  63   and  name  hn   )(resid  62  and  name  ha#  ) 4.0 2.2 1.5
assign (resid  63   and  name  hn   )(resid  63  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  63   and  name  hn   )(resid  63  and  name  hb2  ) 4.0 2.2 1.5
assign (resid  64   and  name  hn   )(resid  63  and  name  ha   ) 4.0 2.2 1.5
assign (resid  64   and  name  hn   )(resid  65  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  64   and  name  hn   )(resid  64  and  name  hb#  ) 4.5 2.7 1.5
assign (resid  65   and  name  hn   )(resid  64  and  name  ha   ) 4.5 2.7 1.5
assign (resid  65   and  name  hn   )(resid  65  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  66   and  name  hn   )(resid  65  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  66   and  name  hn   )(resid  66  and  name  hb# )  4.5 2.7 1.5
assign (resid  67   and  name  hn   )(resid  67  and  name  hb#  ) 3.5 1.7 1.5
assign (resid  67   and  name  hn   )(resid  66  and  name  ha   ) 4.0 2.2 1.5
assign (resid  67   and  name  hn   )(resid  66  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  68   and  name  hn   )(resid  67  and  name  hb#  ) 4.5 2.7 1.5
assign (resid  68   and  name  hn   )(resid  68  and  name  hb#  ) 3.5 1.7 1.5
assign (resid  69   and  name  hn   )(resid  68  and  name  ha   ) 4.0 2.2 1.5
assign (resid  71   and  name  hn   )(resid  70  and  name  ha   ) 4.0 2.2 1.5
assign (resid  71   and  name  hn   )(resid  70  and  name  hb#  ) 3.5 1.7 1.5
assign (resid  71   and  name  hn   )(resid  70  and  name  hd1# ) 4.5 2.7 1.5
assign (resid  71   and  name  hn   )(resid  71  and  name  hb#  ) 4.5 2.7 1.5
assign (resid  72   and  name  hn   )(resid  71  and  name  ha   ) 4.0 2.2 1.5
assign (resid  73   and  name  hn   )(resid  72  and  name  hn   ) 3.0 1.2 0.3
assign (resid  74   and  name  hn   )(resid  71  and  name  ha   ) 4.5 2.7 1.5
assign (resid  74   and  name  hn   )(resid  73  and  name  hn   ) 4.0 2.2 1.5
assign (resid  74   and  name  hn   )(resid  73  and  name  ha   ) 4.0 2.2 1.5
assign (resid  74   and  name  hn   )(resid  74  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  74   and  name  hn   )(resid  74  and  name  hb2  ) 3.5 1.7 1.5
assign (resid  74   and  name  hn   )(resid  75  and  name  hn   ) 3.0 1.2 0.3
assign (resid  74   and  name  hn   )(resid  75  and  name  hg11 ) 4.0 2.2 1.5
assign (resid  74   and  name  hn   )(resid  75  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  75   and  name  hn   )(resid  75  and  name  hb   ) 3.5 1.7 0.3
assign (resid  76   and  name  hn   )(resid  29  and  name  hg2# ) 4.5 2.7 1.5
assign (resid  76   and  name  hn   )(resid  75  and  name  hg12 ) 4.5 2.7 1.5
assign (resid  76   and  name  hn   )(resid  30  and  name  ha   ) 4.0 2.2 1.5
assign (resid  76   and  name  hn   )(resid  75  and  name  hg11 ) 4.5 2.7 1.5
assign (resid  79   and  name  hn   )(resid  28  and  name  ha   ) 4.0 2.2 1.5
assign (resid  80   and  name  hn   )(resid  79  and  name  hn   ) 4.0 2.2 1.5
assign (resid  80   and  name  hn   )(resid  79  and  name  hb#  ) 4.5 2.7 1.5
assign (resid  83   and  name  hn   )(resid   9  and  name  hg   ) 4.0 2.2 1.5
assign (resid  83   and  name  hn   )(resid   9  and  name  hd1# ) 4.5 2.7 1.5
assign (resid  83   and  name  hn   )(resid   9  and  name  hd2# ) 4.5 2.7 1.5
assign (resid  83   and  name  hn   )(resid  79  and  name  hg   ) 4.5 2.7 1.5
assign (resid  83   and  name  hn   )(resid  80  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  84   and  name  hn   )(resid  79  and  name  hd1# ) 4.5 2.7 1.5
assign (resid  84   and  name  hn   )(resid  81  and  name  ha   ) 4.0 2.2 1.5
assign (resid  84   and  name  hn   )(resid  83  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  84   and  name  hn   )(resid  83  and  name  hb2  ) 3.0 1.2 0.3
assign (resid  84   and  name  hn   )(resid  84  and  name  hb#  ) 3.5 1.7 1.5
assign (resid  85   and  name  hn   )(resid  84  and  name  hn   ) 4.0 2.2 1.5
assign (resid  85   and  name  hn   )(resid  84  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  85   and  name  hn   )(resid  85  and  name  ha   ) 4.0 2.2 1.5
assign (resid  85   and  name  hn   )(resid  85  and  name  hb#  ) 4.0 2.2 1.5
assign (resid  85   and  name  hn   )(resid  86  and  name  hn   ) 4.0 2.2 1.5
assign (resid  86   and  name  hn   )(resid  85  and  name  hb#  ) 4.5 2.7 1.5
assign (resid  86   and  name  hn   )(resid  87  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  86   and  name  hn   )(resid  86  and  name  hb1  ) 4.0 2.2 1.5
assign (resid  86   and  name  hn   )(resid  86  and  name  hg#  ) 4.0 2.2 1.5
assign (resid  88   and  name  hn   )(resid  87  and  name  hb   ) 4.0 2.2 1.5
assign (resid  88   and  name  hn   )(resid  87  and  name  hd#  ) 4.5 2.7 1.5
assign (resid  89   and  name  hn   )(resid  88  and  name  ha   ) 3.5 1.7 1.5
assign (resid  89   and  name  hn   )(resid  88  and  name  hb#  ) 4.5 2.7 1.5
!h-bond restraints
assign (resid  7    and  name  hn   )(resid  78  and  name  o    ) 2.3 0.8 0.2
assign (resid  11   and  name  hn   )(resid  8   and  name  o    ) 2.3 0.8 0.2
assign (resid  12   and  name  hn   )(resid  8   and  name  o    ) 2.3 0.8 0.2
assign (resid  13   and  name  hn   )(resid  9   and  name  o    ) 2.3 0.8 0.2
assign (resid  23   and  name  hn   )(resid  30  and  name  o    ) 2.3 0.8 0.2
assign (resid  25   and  name  hn   )(resid  28  and  name  o    ) 2.3 0.8 0.2
assign (resid  29   and  name  hn   )(resid  77  and  name  o    ) 2.3 0.8 0.2
assign (resid  32   and  name  hn   )(resid  21  and  name  o    ) 2.3 0.8 0.2
assign (resid  35   and  name  hn   )(resid  32  and  name  o    ) 2.3 0.8 0.2
assign (resid  76   and  name  hn   )(resid  29  and  name  o    ) 2.3 0.8 0.2
assign (resid  82   and  name  hn   )(resid  80  and  name  nd1  ) 2.3 0.8 0.2
assign (resid  7    and  name  n    )(resid  78  and  name  o    ) 3.3 0.8 0.2
assign (resid  11   and  name  n    )(resid  8   and  name  o    ) 3.3 0.8 0.2
assign (resid  12   and  name  n    )(resid  8   and  name  o    ) 3.3 0.8 0.2
assign (resid  13   and  name  n    )(resid  9   and  name  o    ) 3.3 0.8 0.2
assign (resid  23   and  name  n    )(resid  30  and  name  o    ) 3.3 0.8 0.2
assign (resid  25   and  name  n    )(resid  28  and  name  o    ) 3.3 0.8 0.2
assign (resid  29   and  name  n    )(resid  77  and  name  o    ) 3.3 0.8 0.2
assign (resid  32   and  name  n    )(resid  21  and  name  o    ) 3.3 0.8 0.2
assign (resid  35   and  name  n    )(resid  32  and  name  o    ) 3.3 0.8 0.2
assign (resid  76   and  name  n    )(resid  29  and  name  o    ) 3.3 0.8 0.2
assign (resid  82   and  name  n    )(resid  80  and  name  nd1  ) 3.3 0.8 0.2
!dihedrals
!residue    5
assign (resid    4 and name c ) (resid    5 and name n )
      (resid    5 and name ca) (resid    5 and name c ) 1.0 -130.0 50.0 2
!residue    6
assign (resid    5 and name c ) (resid    6 and name n )
       (resid    6 and name ca) (resid    6 and name c ) 1.0 -130.0 50.0 2
!residue    9
assign (resid    8 and name c ) (resid    9 and name n )
       (resid    9 and name ca) (resid    9 and name c ) 1.0  -50.0 40.0 2
!residue   10
assign (resid    9 and name c ) (resid   10 and name n )
       (resid   10 and name ca) (resid   10 and name c ) 1.0  -50.0 40.0 2
!residue   11
assign (resid   10 and name c ) (resid   11 and name n )
       (resid   11 and name ca) (resid   11 and name c ) 1.0  -50.0 40.0 2
!residue   13
assign (resid   12 and name c ) (resid   13 and name n )
       (resid   13 and name ca) (resid   13 and name c ) 1.0  -50.0 40.0 2
!residue   15
assign (resid   14 and name c ) (resid   15 and name n )
       (resid   15 and name ca) (resid   15 and name c ) 1.0 -130.0 50.0 2
!residue   17
assign (resid   16 and name c ) (resid   17 and name n )
       (resid   17 and name ca) (resid   17 and name c ) 1.0 -130.0 50.0 2
!residue   22
assign (resid   21 and name c ) (resid   22 and name n )
       (resid   22 and name ca) (resid   22 and name c ) 1.0 -130.0 50.0 2
!residue   23
assign (resid   22 and name c ) (resid   23 and name n )
       (resid   23 and name ca) (resid   23 and name c ) 1.0 -130.0 50.0 2
!residue   24
assign (resid   23 and name c ) (resid   24 and name n )
       (resid   24 and name ca) (resid   24 and name c ) 1.0 -130.0 50.0 2
!residue   25
assign (resid   24 and name c ) (resid   25 and name n )
       (resid   25 and name ca) (resid   25 and name c ) 1.0 -130.0 50.0 2
!residue   33
assign (resid   32 and name c ) (resid   33 and name n )
       (resid   33 and name ca) (resid   33 and name c ) 1.0  -50.0 40.0 2
!residue   35
assign (resid   34 and name c ) (resid   35 and name n )
       (resid   35 and name ca) (resid   35 and name c ) 1.0  -50.0 40.0 2
!residue   38
assign (resid   37 and name c ) (resid   38 and name n )
       (resid   38 and name ca) (resid   38 and name c ) 1.0 -130.0 50.0 2
!residue   39
assign (resid   38 and name c ) (resid   39 and name n )
       (resid   39 and name ca) (resid   39 and name c ) 1.0 -130.0 50.0 2
!residue   44
assign (resid   43 and name c ) (resid   44 and name n )
       (resid   44 and name ca) (resid   44 and name c ) 1.0  -50.0 50.0 2
!residue   63
assign (resid   62 and name c ) (resid   63 and name n )
       (resid   63 and name ca) (resid   63 and name c ) 1.0 -130.0 50.0 2
!residue   67
assign (resid   66 and name c ) (resid   67 and name n )
       (resid   67 and name ca) (resid   67 and name c ) 1.0  -50.0 40.0 2
!residue   70
assign (resid   69 and name c ) (resid   70 and name n )
       (resid   70 and name ca) (resid   70 and name c ) 1.0  -50.0 40.0 2
!residue   71
assign (resid   70 and name c ) (resid   71 and name n )
       (resid   71 and name ca) (resid   71 and name c ) 1.0  -50.0 50.0 2
!residue   73
assign (resid   72 and name c ) (resid   73 and name n )
       (resid   73 and name ca) (resid   73 and name c ) 1.0  -50.0 50.0 2
!residue   74
assign (resid   73 and name c ) (resid   74 and name n )
       (resid   74 and name ca) (resid   74 and name c ) 1.0 -130.0 50.0 2
!residue   76
assign (resid   75 and name c ) (resid   76 and name n )
       (resid   76 and name ca) (resid   76 and name c ) 1.0 -130.0 50.0 2
!residue   78
assign (resid   77 and name c ) (resid   78 and name n )
       (resid   78 and name ca) (resid   78 and name c ) 1.0 -130.0 50.0 2
!residue   79
!assign (resid   78 and name c ) (resid   79 and name n )
!       (resid   79 and name ca) (resid   79 and name c ) 1.0  -50.0 50.0 2
!residue   80
assign (resid   79 and name c ) (resid   80 and name n )
       (resid   80 and name ca) (resid   80 and name c ) 1.0  -50.0 40.0 2
!residue   82
assign (resid   81 and name c ) (resid   82 and name n )
       (resid   82 and name ca) (resid   82 and name c ) 1.0  -50.0 40.0 2
!residue   83
assign (resid   82 and name c ) (resid   83 and name n )
       (resid   83 and name ca) (resid   83 and name c ) 1.0 -130.0 50.0 2
!residue   84
assign (resid   83 and name c ) (resid   84 and name n )
       (resid   84 and name ca) (resid   84 and name c ) 1.0  -50.0 40.0 2
!residue   85
assign (resid   84 and name c ) (resid   85 and name n )
       (resid   85 and name ca) (resid   85 and name c ) 1.0  -50.0 40.0 2
!residue   87
assign (resid   86 and name c ) (resid   87 and name n )
       (resid   87 and name ca) (resid   87 and name c ) 1.0 -130.0 50.0 2
!residue   88
assign (resid   87 and name c ) (resid   88 and name n )
       (resid   88 and name ca) (resid   88 and name c ) 1.0  -50.0 40.0 2
!residue   93
assign (resid   92 and name c ) (resid   93 and name n )
       (resid   93 and name ca) (resid   93 and name c ) 1.0 -130.0 50.0 2
!residue   94
assign (resid   93 and name c ) (resid   94 and name n )
       (resid   94 and name ca) (resid   94 and name c ) 1.0 -130.0 50.0 2
!chi
!residue 4
assign (resid    4 and name n ) (resid    4 and name ca)
       (resid    4 and name cb) (resid    4 and name cg2) 1.0 -60.0 30.0 2
!residue 6
assign (resid    6 and name n ) (resid    6 and name ca)
       (resid    6 and name cb) (resid    6 and name cg) 1.0 -60.0 30.0 2
!residue 7
assign (resid    7 and name n ) (resid    7 and name ca)
       (resid    7 and name cb) (resid    7 and name cg) 1.0 -60.0 30.0 2
!residue 8
assign (resid    8 and name n ) (resid    8 and name ca)
       (resid    8 and name cb) (resid    8 and name og1) 1.0 60.0 30.0 2
!residue 10
assign (resid   10 and name n ) (resid   10 and name ca)
       (resid   10 and name cb) (resid   10 and name cg) 1.0 -60.0 30.0 2
!residue 15
assign (resid   15 and name n ) (resid   15 and name ca)
       (resid   15 and name cb) (resid   15 and name cg) 1.0 -60.0 30.0 2
!residue 19
assign (resid   19 and name n ) (resid   19 and name ca)
       (resid   19 and name cb) (resid   19 and name cg) 1.0 180.0 30.0 2
!residue 21
assign (resid   21 and name n ) (resid   21 and name ca)
       (resid   21 and name cb) (resid   21 and name og1) 1.0 180.0 30.0 2
!residue 22
assign (resid   22 and name n ) (resid   22 and name ca)
       (resid   22 and name cb) (resid   22 and name cg) 1.0 -60.0 30.0 2
!residue 23
assign (resid   23 and name n ) (resid   23 and name ca)
       (resid   23 and name cb) (resid   23 and name cg2) 1.0 -60.0 30.0 2
!residue 29
assign (resid   29 and name n ) (resid   29 and name ca)
       (resid   29 and name cb) (resid   29 and name cg2) 1.0 -60.0 30.0 2
!residue 30
assign (resid   30 and name n ) (resid   30 and name ca)
       (resid   30 and name cb) (resid   30 and name cg) 1.0 -60.0 30.0 2
!residue 31
assign (resid   31 and name n ) (resid   31 and name ca)
       (resid   31 and name cb) (resid   31 and name cg) 1.0 180.0 30.0 2
!residue 35
assign (resid   35 and name n ) (resid   35 and name ca)
       (resid   35 and name cb) (resid   35 and name cg) 1.0 180.0 30.0 2
!residue 39
assign (resid   39 and name n ) (resid   39 and name ca)
       (resid   39 and name cb) (resid   39 and name cg) 1.0 -60.0 30.0 2
!residue 74
assign (resid   74 and name n ) (resid   74 and name ca)
       (resid   74 and name cb) (resid   74 and name cg) 1.0 -60.0 30.0 2
!residue 83
assign (resid   83 and name n ) (resid   83 and name ca)
       (resid   83 and name cb) (resid   83 and name cg) 1.0 -60.0 30.0 2


  Entry H atom name         Submitted Coord H atom name