*HEADER   RIBONUCLEIC ACID                        18-APR-98   1BAU    
*TITLE    NMR STRUCTURE OF THE DIMER INITIATION COMPLEX OF HIV-1      
*TITLE   2 GENOMIC RNA, MINIMIZED AVERAGE STRUCTURE                   
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: SL1 RNA DIMER;                                   
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 FRAGMENT: HIV-1 PACKAGING SIGNAL, RESIDUE 248-270;         
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 OTHER_DETAILS: ENGINEERED SEQUENCE IN THE LOWER STEM REGION
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: T7 RNA TRANSCRIPTION;                           
*SOURCE  3 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1;  
*SOURCE  4 ORGANISM_COMMON: HIV-1, AIDS VIRUS;                        
*SOURCE  5 OTHER_DETAILS: RNA SYNTHESIZED USING T7 RNA TRANSCRIPTION  
*KEYWDS   RIBONUCLEIC ACID, HIV-1, DIMERIZATION, ENCAPSIDATION, RNA   
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   A.MUJEEB,J.L.CLEVER,T.M.BILLECI,T.L.JAMES,T.G.PARSLOW       
*REVDAT  1   27-APR-99 1BAU    0                                      
 
List of NMR restraints (in AMBER format) applied during Refinements of 
'NMR STRUCTURE(S) OF DIMER INITIATION COMPLEX OF HIV-1 GENOMIC RNA.'
AUTHORS: Anwer Mujeeb, Jared Clever, Todd Billeci, Thomas L. James and Tristram G. Parslow.

================================================================= 
# distance constraint number   1
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   2
 &rst  iat = 24, 24, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   3
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   4
 &rst  iat = 24, 24, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   5
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   6
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   7
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   8
 &rst  iat = 24, 24, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number   9
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  10
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  11
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  12
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  13
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  14
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  15
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  16
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  17
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  18
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  19
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  20
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  21
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  22
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  23
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  24
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  25
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  26
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  27
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  28
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  29
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  30
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  31
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  32
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  33
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  34
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  35
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  36
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  37
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  38
 &rst  iat = 26, 26, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  39
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  40
 &rst  iat = 26, 26, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  41
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  42
 &rst  iat = 26, 26, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  43
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  44
 &rst  iat = 26, 26, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  45
 &rst  iat =  3,  4, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  46
 &rst  iat = 26, 27, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  47
 &rst  iat =  3,  4, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  48
 &rst  iat = 26, 27, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  49
 &rst  iat =  3,  4, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  50
 &rst  iat = 26, 27, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  51
 &rst  iat =  3,  4, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  52
 &rst  iat = 26, 27, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  53
 &rst  iat =  3,  4, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  54
 &rst  iat = 26, 27, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  55
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  56
 &rst  iat = 27, 27, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  57
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  58
 &rst  iat = 27, 27, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  59
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  60
 &rst  iat = 27, 27, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  61
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  62
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  63
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  64
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  65
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  66
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  67
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  68
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  69
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H2',atnam(2)='H2''1',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  70
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H2',atnam(2)='H2''1',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  71
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  72
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  73
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H2',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  74
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H2',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  75
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  76
 &rst  iat = 27, 28, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  77
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  78
 &rst  iat = 28, 28, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  79
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H2''1',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  80
 &rst  iat = 28, 28, iresid = 1, atnam(1)='H2''1',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  81
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  82
 &rst  iat = 28, 28, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  83
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  84
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  85
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  86
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  87
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  88
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  89
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  90
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  91
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  92
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  93
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  94
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  95
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  96
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  97
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  98
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number  99
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 100
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 101
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 102
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 103
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H2',atnam(2)='H2''1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 104
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H2',atnam(2)='H2''1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 105
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 106
 &rst  iat = 28, 29, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 107
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 108
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 109
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 110
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 111
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 112
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 113
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 114
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 115
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 116
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 117
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 118
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 119
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 120
 &rst  iat = 29, 29, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 121
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 122
 &rst  iat = 29, 30, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 123
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 124
 &rst  iat = 29, 30, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 125
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 126
 &rst  iat = 29, 30, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 127
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 128
 &rst  iat = 29, 30, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 129
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 130
 &rst  iat = 29, 30, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 131
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 132
 &rst  iat = 29, 30, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 133
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 134
 &rst  iat = 30, 30, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 135
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 136
 &rst  iat = 30, 30, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 137
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 138
 &rst  iat = 30, 30, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 139
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 140
 &rst  iat = 30, 31, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 141
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 142
 &rst  iat = 30, 31, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 143
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 144
 &rst  iat = 30, 31, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 145
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 5.000, r4 = 6.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 146
 &rst  iat = 30, 31, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 147
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 148
 &rst  iat = 30, 31, iresid = 1, atnam(1)='H8',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 149
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 150
 &rst  iat = 31, 31, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 151
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 152
 &rst  iat = 31, 31, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 153
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 154
 &rst  iat = 32, 32, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 155
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 156
 &rst  iat = 32, 32, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 157
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 158
 &rst  iat = 32, 32, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 159
 &rst  iat =  9, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 160
 &rst  iat = 32, 33, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 161
 &rst  iat =  9, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 162
 &rst  iat = 32, 33, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 163
 &rst  iat =  9, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 164
 &rst  iat = 32, 33, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 165
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 166
 &rst  iat = 33, 33, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 167
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 168
 &rst  iat = 33, 33, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 169
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 170
 &rst  iat = 33, 33, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 171
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 172
 &rst  iat = 33, 34, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 173
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 174
 &rst  iat = 33, 34, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 175
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 176
 &rst  iat = 33, 34, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 177
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 178
 &rst  iat = 33, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 179
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 180
 &rst  iat = 33, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 181
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 182
 &rst  iat = 33, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 183
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 184
 &rst  iat = 34, 34, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 185
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 186
 &rst  iat = 34, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 187
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 188
 &rst  iat = 34, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 189
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 190
 &rst  iat = 34, 34, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 191
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 192
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 193
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 194
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 195
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 196
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 197
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 198
 &rst  iat = 35, 35, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 199
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 200
 &rst  iat = 35, 35, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 201
 &rst  iat = 12, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 202
 &rst  iat = 35, 36, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 203
 &rst  iat = 12, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 204
 &rst  iat = 35, 36, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 205
 &rst  iat = 12, 13, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 206
 &rst  iat = 35, 36, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 207
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 208
 &rst  iat = 36, 36, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 209
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 210
 &rst  iat = 36, 36, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 211
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 212
 &rst  iat = 36, 37, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 213
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 214
 &rst  iat = 36, 37, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 215
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 216
 &rst  iat = 36, 37, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 217
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 218
 &rst  iat = 37, 37, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 219
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 220
 &rst  iat = 37, 37, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 221
 &rst  iat = 14, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 222
 &rst  iat = 37, 38, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 223
 &rst  iat = 14, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 224
 &rst  iat = 37, 38, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 225
 &rst  iat = 14, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 226
 &rst  iat = 37, 38, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 227
 &rst  iat = 14, 15, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 228
 &rst  iat = 37, 38, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 229
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 230
 &rst  iat = 38, 38, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 231
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 232
 &rst  iat = 38, 38, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 233
 &rst  iat = 15, 16, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 234
 &rst  iat = 38, 39, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 235
 &rst  iat = 15, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 236
 &rst  iat = 38, 39, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 237
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 238
 &rst  iat = 39, 39, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 239
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 240
 &rst  iat = 39, 39, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 241
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H8',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 242
 &rst  iat = 39, 39, iresid = 1, atnam(1)='H8',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 243
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 244
 &rst  iat = 39, 40, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 245
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 246
 &rst  iat = 39, 40, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 247
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 248
 &rst  iat = 39, 40, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 249
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 250
 &rst  iat = 39, 40, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 251
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 252
 &rst  iat = 39, 40, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 253
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 254
 &rst  iat = 39, 40, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 255
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 256
 &rst  iat = 40, 40, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 257
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 258
 &rst  iat = 40, 40, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 259
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 260
 &rst  iat = 40, 40, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 261
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 262
 &rst  iat = 40, 41, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 263
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 264
 &rst  iat = 40, 41, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 265
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 266
 &rst  iat = 40, 41, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 267
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 268
 &rst  iat = 40, 41, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 269
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 270
 &rst  iat = 40, 41, iresid = 1, atnam(1)='H6',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 271
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 272
 &rst  iat = 41, 41, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 273
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 274
 &rst  iat = 41, 41, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 275
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 276
 &rst  iat = 41, 41, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 277
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 278
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 279
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 280
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 281
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 282
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 283
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 284
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 285
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 286
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 287
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 288
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 289
 &rst  iat = 18, 19, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 290
 &rst  iat = 41, 42, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 291
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 292
 &rst  iat = 42, 42, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 293
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 294
 &rst  iat = 42, 42, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 295
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 296
 &rst  iat = 42, 42, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 297
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 298
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 299
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 300
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 301
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 302
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 303
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 304
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 305
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 306
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 307
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 308
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 309
 &rst  iat = 20, 20, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 310
 &rst  iat = 43, 43, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 311
 &rst  iat = 20, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 312
 &rst  iat = 43, 44, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 313
 &rst  iat = 20, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 314
 &rst  iat = 43, 44, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 315
 &rst  iat = 20, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 316
 &rst  iat = 43, 44, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 317
 &rst  iat = 20, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 318
 &rst  iat = 43, 44, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 319
 &rst  iat = 21, 21, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 320
 &rst  iat = 44, 44, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 321
 &rst  iat = 21, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 322
 &rst  iat = 44, 44, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 323
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 324
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 325
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 326
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 327
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 328
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 329
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 330
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 331
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 332
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 333
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 334
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 335
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 336
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 337
 &rst  iat = 21, 22, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 338
 &rst  iat = 44, 45, iresid = 1, atnam(1)='H8',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 339
 &rst  iat = 22, 22, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 340
 &rst  iat = 45, 45, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 341
 &rst  iat = 22, 22, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 342
 &rst  iat = 45, 45, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 343
 &rst  iat = 22, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 344
 &rst  iat = 45, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 345
 &rst  iat = 22, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 346
 &rst  iat = 45, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 347
 &rst  iat = 22, 22, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 348
 &rst  iat = 45, 45, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 349
 &rst  iat = 22, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 350
 &rst  iat = 45, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 351
 &rst  iat = 22, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 352
 &rst  iat = 45, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 353
 &rst  iat = 22, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 354
 &rst  iat = 45, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 355
 &rst  iat = 22, 23, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 356
 &rst  iat = 45, 46, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 357
 &rst  iat = 22, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 358
 &rst  iat = 45, 46, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 359
 &rst  iat = 22, 23, iresid = 1, atnam(1)='H6',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 360
 &rst  iat = 45, 46, iresid = 1, atnam(1)='H6',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 361
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 362
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 363
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 364
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 365
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 366
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 367
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 368
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 369
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 370
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 371
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 372
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 373
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 374
 &rst  iat = 46, 46, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 375
 &rst  iat =  4, 21, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 376
 &rst  iat = 27, 44, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 377
 &rst  iat =  5, 20, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 378
 &rst  iat = 28, 43, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 379
 &rst  iat =  8, 16, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 380
 &rst  iat = 31, 39, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 381
 &rst  iat =  8, 16, iresid = 1, atnam(1)='H2',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 382
 &rst  iat = 31, 39, iresid = 1, atnam(1)='H2',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 383
 &rst  iat =  8, 16, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 384
 &rst  iat = 31, 39, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 385
 &rst  iat =  8, 32, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 386
 &rst  iat = 31,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 387
 &rst  iat =  8, 32, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 5.000, r4 = 6.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 388
 &rst  iat = 31,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 5.000, r4 = 6.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 389
 &rst  iat =  8, 32, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 390
 &rst  iat = 31,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 391
 &rst  iat =  8, 32, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 392
 &rst  iat = 31,  9, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 393
 &rst  iat =  8, 32, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 394
 &rst  iat = 31,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 395
 &rst  iat =  9, 39, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 396
 &rst  iat = 32, 16, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 397
 &rst  iat =  9, 39, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 398
 &rst  iat = 32, 16, iresid = 1, atnam(1)='H2',atnam(2)='H2',
       r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 399
 &rst  iat =  9, 39, iresid = 1, atnam(1)='H2',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 400
 &rst  iat = 32, 16, iresid = 1, atnam(1)='H2',atnam(2)='H8',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 401
 &rst  iat =  9, 40, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 402
 &rst  iat = 32, 17, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 403
 &rst  iat =  9, 40, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 404
 &rst  iat = 32, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 405
 &rst  iat =  9, 40, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 406
 &rst  iat = 32, 17, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end

############################################
# DISTANCE RESTRAINTS FROM WATER 2DNOE DATA#
############################################

# distance constraint number 407
 &rst  iat =  1,  2, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 408
 &rst  iat = 24, 25, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 409
 &rst  iat =  1, 22, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 410
 &rst  iat = 24, 45, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 411
 &rst  iat =  1, 22, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 412
 &rst  iat = 24, 45, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 413
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 414
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 415
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 416
 &rst  iat = 25, 26, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 417
 &rst  iat =  2, 21, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 418
 &rst  iat = 25, 44, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 419
 &rst  iat =  3, 21, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 420
 &rst  iat = 26, 44, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 421
 &rst  iat =  3, 21, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 422
 &rst  iat = 26, 44, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 423
 &rst  iat =  3, 21, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 424
 &rst  iat = 26, 44, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 425
 &rst  iat =  3, 20, iresid = 1, atnam(1)='H41',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 426
 &rst  iat = 26, 43, iresid = 1, atnam(1)='H41',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 427
 &rst  iat =  4, 20, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 428
 &rst  iat = 27, 43, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 429
 &rst  iat =  4, 20, iresid = 1, atnam(1)='H61',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 430
 &rst  iat = 27, 43, iresid = 1, atnam(1)='H61',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 431
 &rst  iat =  4, 20, iresid = 1, atnam(1)='H62',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 432
 &rst  iat = 27, 43, iresid = 1, atnam(1)='H62',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 433
 &rst  iat =  4, 19, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 434
 &rst  iat = 27, 42, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 435
 &rst  iat =  4, 20, iresid = 1, atnam(1)='H61',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 436
 &rst  iat = 27, 43, iresid = 1, atnam(1)='H61',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 437
 &rst  iat =  5, 19, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 438
 &rst  iat = 28, 42, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 439
 &rst  iat =  5, 20, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 440
 &rst  iat = 28, 43, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 441
 &rst  iat = 10, 38, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 442
 &rst  iat = 33, 15, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 443
 &rst  iat = 10, 38, iresid = 1, atnam(1)='H1',atnam(2)='H42',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 444
 &rst  iat = 33, 15, iresid = 1, atnam(1)='H1',atnam(2)='H42',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 445
 &rst  iat = 10, 38, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 446
 &rst  iat = 33, 15, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 447
 &rst  iat = 10, 38, iresid = 1, atnam(1)='H1',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 448
 &rst  iat = 33, 15, iresid = 1, atnam(1)='H1',atnam(2)='H6',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 449
 &rst  iat = 10, 37, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 450
 &rst  iat = 33, 14, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 451
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 452
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 453
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 454
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 455
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 456
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 457
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H6',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 458
 &rst  iat = 34, 35, iresid = 1, atnam(1)='H6',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 459
 &rst  iat = 12, 35, iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 460
 &rst  iat = 12, 35, iresid = 1, atnam(1)='H1',atnam(2)='H21',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 461
 &rst  iat = 12, 35, iresid = 1, atnam(1)='H21',atnam(2)='H1',
       r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 462
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 463
 &rst  iat = 36, 35, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 464
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 465
 &rst  iat = 36, 35, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 466
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 467
 &rst  iat = 36, 35, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 468
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 469
 &rst  iat = 36, 37, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 470
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 471
 &rst  iat = 36, 37, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 472
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 473
 &rst  iat = 36, 37, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 474
 &rst  iat = 19, 20, iresid = 1, atnam(1)='H3',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 475
 &rst  iat = 42, 43, iresid = 1, atnam(1)='H3',atnam(2)='H3',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end
# distance constraint number 476
 &rst  iat = 19, 20, iresid = 1, atnam(1)='H3',atnam(2)='H5',
       r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000,
       rk2 =30.001, rk3 =30.001, &end

##########################################
# A-type pucker torsion angle restraints #
##########################################

# torsion angle constraint number   1
 &rst  iat =  1,  1,  1,  1, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  1,  1,  1,  1, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  1,  1,  1,  1, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  1,  1,  1,  1, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  1,  1,  1,  1, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  2,  2,  2,  2, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  2,  2,  2,  2, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  2,  2,  2,  2, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  2,  2,  2,  2, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  2,  2,  2,  2, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  3,  3,  3,  3, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  3,  3,  3,  3, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  3,  3,  3,  3, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  3,  3,  3,  3, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  3,  3,  3,  3, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  4,  4,  4,  4, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  4,  4,  4,  4, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  4,  4,  4,  4, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  4,  4,  4,  4, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  4,  4,  4,  4, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  5,  5,  5,  5, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  5,  5,  5,  5, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  5,  5,  5,  5, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  5,  5,  5,  5, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  5,  5,  5,  5, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  6,  6,  6,  6, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  6,  6,  6,  6, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  6,  6,  6,  6, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  6,  6,  6,  6, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  6,  6,  6,  6, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  8,  8,  8,  8, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  8,  8,  8,  8, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  8,  8,  8,  8, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  8,  8,  8,  8, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  8,  8,  8,  8, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  9,  9,  9,  9, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  9,  9,  9,  9, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  9,  9,  9,  9, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  9,  9,  9,  9, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  9,  9,  9,  9, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat = 16, 16, 16, 16, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat = 16, 16, 16, 16, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat = 16, 16, 16, 16, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat = 16, 16, 16, 16, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat = 16, 16, 16, 16, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  17,  17,  17,  17, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  17,  17,  17,  17, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  17,  17,  17,  17, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  17,  17,  17,  17, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  17,  17,  17,  17, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  18,  18,  18,  18, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  18,  18,  18,  18, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  18,  18,  18,  18, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  18,  18,  18,  18, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  18,  18,  18,  18, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  19,  19,  19,  19, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  19,  19,  19,  19, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  19,  19,  19,  19, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  19,  19,  19,  19, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  19,  19,  19,  19, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  20,  20,  20,  20, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  20,  20,  20,  20, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  20,  20,  20,  20, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  20,  20,  20,  20, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  20,  20,  20,  20, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  21,  21,  21,  21, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  21,  21,  21,  21, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  21,  21,  21,  21, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  21,  21,  21,  21, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  21,  21,  21,  21, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =   22,   22,   22,   22, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =   22,   22,   22,   22, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =   22,   22,   22,   22, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =   22,   22,   22,   22, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =   22,   22,   22,   22, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  23,  23,  23,  23, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  23,  23,  23,  23, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  23,  23,  23,  23, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  23,  23,  23,  23, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  23,  23,  23,  23, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  24,  24,  24,  24, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  24,  24,  24,  24, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  24,  24,  24,  24, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  24,  24,  24,  24, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  24,  24,  24,  24, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  25,  25,  25,  25, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  25,  25,  25,  25, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  25,  25,  25,  25, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  25,  25,  25,  25, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  25,  25,  25,  25, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  26,  26,  26,  26, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  26,  26,  26,  26, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  26,  26,  26,  26, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  26,  26,  26,  26, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  26,  26,  26,  26, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  27,  27,  27,  27, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  27,  27,  27,  27, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  27,  27,  27,  27, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  27,  27,  27,  27, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  27,  27,  27,  27, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  28,  28,  28,  28, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  28,  28,  28,  28, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  28,  28,  28,  28, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  28,  28,  28,  28, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  28,  28,  28,  28, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  29,  29,  29,  29, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  29,  29,  29,  29, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  29,  29,  29,  29, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  29,  29,  29,  29, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  29,  29,  29,  29, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  31,  31,  31,  31, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  31,  31,  31,  31, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  31,  31,  31,  31, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  31,  31,  31,  31, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  31,  31,  31,  31, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  32,  32,  32,  32, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  32,  32,  32,  32, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  32,  32,  32,  32, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  32,  32,  32,  32, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  32,  32,  32,  32, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  39,  39,  39,  39, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  39,  39,  39,  39, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  39,  39,  39,  39, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  39,  39,  39,  39, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  39,  39,  39,  39, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  40,  40,  40,  40, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  40,  40,  40,  40, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  40,  40,  40,  40, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  40,  40,  40,  40, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  40,  40,  40,  40, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  41,  41,  41,  41, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  41,  41,  41,  41, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  41,  41,  41,  41, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  41,  41,  41,  41, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  41,  41,  41,  41, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  42, 42, 42, 42,iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  42, 42, 42, 42,iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  42, 42, 42, 42,iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  42, 42, 42, 42,iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  42, 42, 42, 42,iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  43,  43,  43,  43, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  43,  43,  43,  43, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  43,  43,  43,  43, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  43,  43,  43,  43, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  43,  43,  43,  43, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  44,  44,  44,  44, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  44,  44,  44,  44, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  44,  44,  44,  44, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  44,  44,  44,  44, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  44,  44,  44,  44, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  45,  45,  45,  45, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  45,  45,  45,  45, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  45,  45,  45,  45, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  45,  45,  45,  45, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  45,  45,  45,  45, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# torsion angle constraint number   1
 &rst  iat =  46,  46,  46,  46, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  46,  46,  46,  46, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  46,  46,  46,  46, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  46,  46,  46,  46, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  46,  46,  46,  46, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

########################################
# LOOP DUPLEX A-type PUCKER RESTRAINTS #
########################################

# GUA10
# torsion angle constraint number   1
 &rst  iat =  10,  10,  10,  10, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  10,  10,  10,  10, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  10,  10,  10,  10, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  10,  10,  10,  10, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  10,  10,  10,  10, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# CYT 11
# torsion angle constraint number   1
 &rst  iat =  11,  11,  11,  11, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  11,  11,  11,  11, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  11,  11,  11,  11, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  11,  11,  11,  11, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  11,  11,  11,  11, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# GUA 12
# torsion angle constraint number   1
 &rst  iat =  12,  12,  12,  12, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  12,  12,  12,  12, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  12,  12,  12,  12, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  12,  12,  12,  12, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  12,  12,  12,  12, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# CYT 13
# torsion angle constraint number   1
 &rst  iat =  13,  13,  13,  13, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  13,  13,  13,  13, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  13,  13,  13,  13, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  13,  13,  13,  13, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  13,  13,  13,  13, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# GUA 14
# torsion angle constraint number   1
 &rst  iat =  14,  14,  14,  14, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  14,  14,  14,  14, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  14,  14,  14,  14, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  14,  14,  14,  14, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  14,  14,  14,  14, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

#CYT 15
# torsion angle constraint number   1
 &rst  iat =  15,  15,  15,  15, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  15,  15,  15,  15, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  15,  15,  15,  15, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  15,  15,  15,  15, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  15,  15,  15,  15, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

#GUA 33
# torsion angle constraint number   1
 &rst  iat =  33,  33,  33,  33, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  33,  33,  33,  33, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  33,  33,  33,  33, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  33,  33,  33,  33, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  33,  33,  33,  33, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# CYT 34
# torsion angle constraint number   1
 &rst  iat =  34,  34,  34,  34, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  34,  34,  34,  34, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  34,  34,  34,  34, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  34,  34,  34,  34, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  34,  34,  34,  34, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# GUA 35
# torsion angle constraint number   1
 &rst  iat =  35,  35,  35,  35, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  35,  35,  35,  35, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  35,  35,  35,  35, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  35,  35,  35,  35, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  35,  35,  35,  35, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# CYT 36
# torsion angle constraint number   1
 &rst  iat =  36,  36,  36,  36, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  36,  36,  36,  36, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  36,  36,  36,  36, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  36,  36,  36,  36, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  36,  36,  36,  36, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# GUA 37
# torsion angle constraint number   1
 &rst  iat =  37,  37,  37,  37, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  37,  37,  37,  37, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  37,  37,  37,  37, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  37,  37,  37,  37, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  37,  37,  37,  37, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

# CYT 38
# torsion angle constraint number   1
 &rst  iat =  38,  38,  38,  38, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  24.0, r2 = 34.0, r3 = 40.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =  38,  38,  38,  38, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  -49.0, r2 =  -39.0, r3 =  -33.0, r4 =  -23.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =  38,  38,  38,  38, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   8.0, r2 =   18.0, r3 =    24.0, r4 =   34.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =  38,  38,  38,  38, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -3.0, r2 = 0.0, r3 =  6.0, r4 =  16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =  38,  38,  38,  38, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  -39.0, r2 =  -29.0, r3 = -23.0, r4 = -13.0,
       rk2 =30.001, rk3 =30.001, &end

######################################
# RNA-DIMER Hydrogen bond restraints #
######################################

# G1-C23
# flat angle constraint number   1 
 &rst  iat =  1, 23, 23, iresid = 1,
       atnam(1)='O6   ',atnam(2)='H41 ',atnam(3)='N4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   2
 &rst  iat =  1,  1, 23, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H1   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   3
 &rst  iat =  1,  1, 23, iresid = 1,
       atnam(1)='N2   ',atnam(2)='H21 ',atnam(3)='O2   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# G2-C22
# flat angle constraint number   1 
 &rst  iat =  2, 22, 22, iresid = 1,
       atnam(1)='O6   ',atnam(2)='H41 ',atnam(3)='N4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   2
 &rst  iat =  2,  2, 22, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H1   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   3
 &rst  iat =  2,  2, 22, iresid = 1,
       atnam(1)='N2   ',atnam(2)='H21 ',atnam(3)='O2   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end

# C3-G21
# flat angle constraint number   4 
 &rst  iat =  21,  3,  3, iresid = 1,
       atnam(1)='O6   ',atnam(2)='H41 ',atnam(3)='N4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   5
 &rst  iat = 21, 21,  3, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H1   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   6
 &rst  iat = 21, 21,  3, iresid = 1,
       atnam(1)='N2   ',atnam(2)='H21 ',atnam(3)='O2   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end

# A4-U20
# flat angle constraint number   10
 &rst  iat =  4, 20, 20, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H3   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   11
 &rst  iat =  4,  4, 20, iresid = 1,
       atnam(1)='N6   ',atnam(2)='H61 ',atnam(3)='O4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end

# A5-U19
# flat angle constraint number   10
 &rst  iat =  5, 19, 19, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H3   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   11
 &rst  iat =  5,  5, 19, iresid = 1,
       atnam(1)='N6   ',atnam(2)='H61 ',atnam(3)='O4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end

############################################
# SECOND HAIR-PIN Hydrogen bond restraints #
############################################

# G24-C46
# flat angle constraint number   1 
 &rst  iat =  24, 46, 46, iresid = 1,
       atnam(1)='O6   ',atnam(2)='H41 ',atnam(3)='N4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   2
 &rst  iat =  24, 24, 46, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H1   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   3
 &rst  iat =  24, 24, 46, iresid = 1,
       atnam(1)='N2   ',atnam(2)='H21 ',atnam(3)='O2   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end

# G25-C45
# flat angle constraint number   1 
 &rst  iat =  25, 45, 45, iresid = 1,
       atnam(1)='O6   ',atnam(2)='H41 ',atnam(3)='N4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   2
 &rst  iat =  25, 25, 45, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H1   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   3
 &rst  iat =  25, 25, 45, iresid = 1,
       atnam(1)='N2   ',atnam(2)='H21 ',atnam(3)='O2   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end

# C26-G44
# flat angle constraint number   4 
 &rst  iat =  44, 26, 26, iresid = 1,
       atnam(1)='O6   ',atnam(2)='H41 ',atnam(3)='N4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   5
 &rst  iat = 44, 44, 26, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H1   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   6
 &rst  iat = 44, 44, 26, iresid = 1,
       atnam(1)='N2   ',atnam(2)='H21 ',atnam(3)='O2   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end

# A27-U43
# flat angle constraint number   10
 &rst  iat =  27, 43, 43, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H3   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   11
 &rst  iat =  27,  27, 43, iresid = 1,
       atnam(1)='N6   ',atnam(2)='H61 ',atnam(3)='O4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end

# A28-U42
# flat angle constraint number   10
 &rst  iat =  28, 42, 42, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H3   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   11
 &rst  iat =  28,  28, 42, iresid = 1,
       atnam(1)='N6   ',atnam(2)='H61 ',atnam(3)='O4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end


###############################
# LOOP DUPLEX FLAT ANGLE RESTRAINTS #
###############################

# G10-C38
# flat angle constraint number   12 
 &rst  iat =  10, 38, 38, iresid = 1,
       atnam(1)='O6   ',atnam(2)='H41 ',atnam(3)='N4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   13
 &rst  iat =  10,  10, 38, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H1   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   14
 &rst  iat =  10,  10, 38, iresid = 1,
       atnam(1)='N2   ',atnam(2)='H21 ',atnam(3)='O2   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# C11-G37
# flat angle constraint number   4 
 &rst  iat =  37, 11, 11, iresid = 1,
       atnam(1)='O6   ',atnam(2)='H41 ',atnam(3)='N4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   5
 &rst  iat = 37, 37, 11, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H1   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   6
 &rst  iat = 37, 37, 11, iresid = 1,
       atnam(1)='N2   ',atnam(2)='H21 ',atnam(3)='O2   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end

# G12-C36
# flat angle constraint number   12 
 &rst  iat =  12, 36, 36, iresid = 1,
       atnam(1)='O6   ',atnam(2)='H41 ',atnam(3)='N4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   13
 &rst  iat =  12,  12, 36, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H1   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   14
 &rst  iat =  12,  12, 36, iresid = 1,
       atnam(1)='N2   ',atnam(2)='H21 ',atnam(3)='O2   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end

# C13-G35
# flat angle constraint number   4 
 &rst  iat =  35, 13, 13, iresid = 1,
       atnam(1)='O6   ',atnam(2)='H41 ',atnam(3)='N4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 350.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   5
 &rst  iat = 35, 35, 13, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H1   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 350.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   6
 &rst  iat = 35, 35, 13, iresid = 1,
       atnam(1)='N2   ',atnam(2)='H21 ',atnam(3)='O2   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 350.0,
       rk2 =30.001, rk3 =30.001, &end

# G14-C34
# flat angle constraint number   12 
 &rst  iat =  14, 34, 34, iresid = 1,
       atnam(1)='O6   ',atnam(2)='H41 ',atnam(3)='N4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   13
 &rst  iat =  14,  14, 34, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H1   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   14
 &rst  iat =  14,  14, 34, iresid = 1,
       atnam(1)='N2   ',atnam(2)='H21 ',atnam(3)='O2   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end

# C15-G21
# flat angle constraint number   4 
 &rst  iat =  33, 15, 15, iresid = 1,
       atnam(1)='O6   ',atnam(2)='H41 ',atnam(3)='N4   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   5
 &rst  iat = 33, 33, 15, iresid = 1,
       atnam(1)='N1   ',atnam(2)='H1   ',atnam(3)='N3   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end
# flat angle constraint number   6
 &rst  iat = 33, 33, 15, iresid = 1,
       atnam(1)='N2   ',atnam(2)='H21 ',atnam(3)='O2   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =30.001, rk3 =30.001, &end

#########################################
# HB Distance Restraints for Base-Pairs #
#########################################

# G1-C23
# distance constraint number   1
 &rst  iat =  1, 23, iresid = 1, atnam(1)='O6   ',atnam(2)='N4   ',
       r1 = 0.000, r2 = 2.810, r3 = 3.010, r4 = 3.310,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   2
 &rst  iat =  1, 23, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   3
 &rst  iat =  1, 23, iresid = 1, atnam(1)='N2   ',atnam(2)='O2   ',
       r1 = 0.000, r2 = 2.760, r3 = 2.960, r4 = 3.260,
       rk2 =20.001, rk3 =20.001, &end


# G2-C22
# distance constraint number   7
 &rst  iat =  2, 22, iresid = 1, atnam(1)='O6   ',atnam(2)='N4   ',
       r1 = 0.000, r2 = 2.810, r3 = 3.010, r4 = 3.310,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   8
 &rst  iat =  2, 22, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   9
 &rst  iat =  2, 22, iresid = 1, atnam(1)='N2   ',atnam(2)='O2   ',
       r1 = 0.000, r2 = 2.760, r3 = 2.960, r4 = 3.260,
       rk2 =20.001, rk3 =20.001, &end

# C3-G21
# distance constraint number   4
 &rst  iat =  21,  3, iresid = 1, atnam(1)='O6   ',atnam(2)='N4   ',
       r1 = 0.000, r2 = 2.810, r3 = 3.010, r4 = 3.310,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   5
 &rst  iat =  21,  3, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   6
 &rst  iat =  21,  3, iresid = 1, atnam(1)='N2   ',atnam(2)='O2   ',
       r1 = 0.000, r2 = 2.760, r3 = 2.960, r4 = 3.260,
       rk2 =20.001, rk3 =20.001, &end

# A4-U20
# distance constraint number   10
 &rst  iat =  4, 20, iresid = 1, atnam(1)='N6   ',atnam(2)='O4   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   11
 &rst  iat =  4, 20, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.720, r3 = 2.920, r4 = 3.220,
       rk2 =20.001, rk3 =20.001, &end

# A5-U19
# distance constraint number   10
 &rst  iat =  5, 19, iresid = 1, atnam(1)='N6   ',atnam(2)='O4   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   11
 &rst  iat =  5, 19, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.719, r3 = 2.919, r4 = 3.219,
       rk2 =20.001, rk3 =20.001, &end

#####################################################
#Distance Restraints for Base-Pairs of IInd HAIR-PIN#
#####################################################

# G24-C46
# distance constraint number   1
 &rst  iat = 24, 46, iresid = 1, atnam(1)='O6   ',atnam(2)='N4   ',
       r1 = 0.000, r2 = 2.810, r3 = 3.010, r4 = 3.310,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   2
 &rst  iat = 24, 46, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   3
 &rst  iat = 24, 46, iresid = 1, atnam(1)='N2   ',atnam(2)='O2   ',
       r1 = 0.000, r2 = 2.760, r3 = 2.960, r4 = 3.260,
       rk2 =20.001, rk3 =20.001, &end

# G25-C45
# distance constraint number   7
 &rst  iat = 25, 45, iresid = 1, atnam(1)='O6   ',atnam(2)='N4   ',
       r1 = 0.000, r2 = 2.810, r3 = 3.010, r4 = 3.310,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   8
 &rst  iat = 25, 45, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   9
 &rst  iat = 25, 45, iresid = 1, atnam(1)='N2   ',atnam(2)='O2   ',
       r1 = 0.000, r2 = 2.760, r3 = 2.960, r4 = 3.260,
       rk2 =20.001, rk3 =20.001, &end

# C26-G44
# distance constraint number   4
 &rst  iat =  44, 26, iresid = 1, atnam(1)='O6   ',atnam(2)='N4   ',
       r1 = 0.000, r2 = 2.810, r3 = 3.010, r4 = 3.310,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   5
 &rst  iat =  44, 26, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   6
 &rst  iat =  44, 26, iresid = 1, atnam(1)='N2   ',atnam(2)='O2   ',
       r1 = 0.000, r2 = 2.760, r3 = 2.960, r4 = 3.260,
       rk2 =20.001, rk3 =20.001, &end

# A27-U43
# distance constraint number   10
 &rst  iat = 27, 43, iresid = 1, atnam(1)='N6   ',atnam(2)='O4   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   11
 &rst  iat = 27, 43, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.720, r3 = 2.920, r4 = 3.220,
       rk2 =20.001, rk3 =20.001, &end

# A28-U42
# distance constraint number   10
 &rst  iat = 28, 42, iresid = 1, atnam(1)='N6   ',atnam(2)='O4   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   11
 &rst  iat = 28, 42, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.742, r3 = 2.942, r4 = 3.242,
       rk2 =20.001, rk3 =20.001, &end

#####################################
#LOOP DUPLEX HB DISTANCE constraints#
#####################################

# G10-C38
# distance constraint number   12
 &rst  iat = 10, 38, iresid = 1, atnam(1)='O6   ',atnam(2)='N4   ',
       r1 = 0.000, r2 = 2.810, r3 = 3.010, r4 = 3.310,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   13
 &rst  iat = 10, 38, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   14
 &rst  iat = 10, 38, iresid = 1, atnam(1)='N2   ',atnam(2)='O2   ',
       r1 = 0.000, r2 = 2.760, r3 = 2.960, r4 = 3.260,
       rk2 =20.001, rk3 =20.001, &end

# C11-G37
# distance constraint number   4
 &rst  iat =  37, 11, iresid = 1, atnam(1)='O6   ',atnam(2)='N4   ',
       r1 = 0.000, r2 = 2.810, r3 = 3.010, r4 = 3.310,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   5
 &rst  iat =  37, 11, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   6
 &rst  iat =  37, 11, iresid = 1, atnam(1)='N2   ',atnam(2)='O2   ',
       r1 = 0.000, r2 = 2.760, r3 = 2.960, r4 = 3.260,
       rk2 =20.001, rk3 =20.001, &end

# G12-C36
# distance constraint number   12
 &rst  iat = 12, 36, iresid = 1, atnam(1)='O6   ',atnam(2)='N4   ',
       r1 = 0.000, r2 = 2.810, r3 = 3.010, r4 = 3.310,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   13
 &rst  iat = 12, 36, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   14
 &rst  iat = 12, 36, iresid = 1, atnam(1)='N2   ',atnam(2)='O2   ',
       r1 = 0.000, r2 = 2.760, r3 = 2.960, r4 = 3.260,
       rk2 =20.001, rk3 =20.001, &end

# C13-G35
# distance constraint number   4
 &rst  iat =  35, 13, iresid = 1, atnam(1)='O6   ',atnam(2)='N4   ',
       r1 = 0.000, r2 = 2.810, r3 = 3.010, r4 = 3.310,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   5
 &rst  iat =  35, 13, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   6
 &rst  iat =  35, 13, iresid = 1, atnam(1)='N2   ',atnam(2)='O2   ',
       r1 = 0.000, r2 = 2.760, r3 = 2.960, r4 = 3.130,
       rk2 =20.001, rk3 =20.001, &end

# G14-C34
# distance constraint number   12
 &rst  iat = 14, 34, iresid = 1, atnam(1)='O6   ',atnam(2)='N4   ',
       r1 = 0.000, r2 = 2.810, r3 = 3.010, r4 = 3.310,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   13
 &rst  iat = 14, 34, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   14
 &rst  iat = 14, 34, iresid = 1, atnam(1)='N2   ',atnam(2)='O2   ',
       r1 = 0.000, r2 = 2.760, r3 = 2.960, r4 = 3.260,
       rk2 =20.001, rk3 =20.001, &end

# C15-G33
# distance constraint number   4
 &rst  iat =  33, 15, iresid = 1, atnam(1)='O6   ',atnam(2)='N4   ',
       r1 = 0.000, r2 = 2.810, r3 = 3.010, r4 = 3.310,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   5
 &rst  iat =  33, 15, iresid = 1, atnam(1)='N1   ',atnam(2)='N3   ',
       r1 = 0.000, r2 = 2.850, r3 = 3.050, r4 = 3.350,
       rk2 =20.001, rk3 =20.001, &end
# distance constraint number   6
 &rst  iat =  33, 15, iresid = 1, atnam(1)='N2   ',atnam(2)='O2   ',
       r1 = 0.000, r2 = 2.760, r3 = 2.960, r4 = 3.150,
       rk2 =20.001, rk3 =20.001, &end

################################
# RESTRAINTS FOR U.G WOBBLE BP #
################################

#U6-G18 (wobble)
# distance constraint number   1
 &rst  iat =  6, 18, iresid = 1, atnam(1)='N3   ',atnam(2)='O6   ',
       r1 = 0.000, r2 = 2.800, r3 = 3.000, r4 = 3.300,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number   2
 &rst  iat =  6, 18, iresid = 1, atnam(1)='O2   ',atnam(2)='N1   ',
       r1 = 0.000, r2 = 2.620, r3 = 2.820, r4 = 3.000,
       rk2 =20.000, rk3 =20.000, &end
#flat angle constraint number   1
 &rst  iat =  6,  6, 18, iresid = 1,
       atnam(1)='N3   ',atnam(2)='H3  ',atnam(3)='O6   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =20.001, rk3 =20.001, &end
# flat angle constraint number   2
 &rst  iat =  6, 18, 18, iresid = 1,
       atnam(1)='O2   ',atnam(2)='H1   ',atnam(3)='N1   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =20.001, rk3 =20.001, &end
#U29-G41 (wobble)
# distance constraint number   1
 &rst  iat = 29, 41, iresid = 1, atnam(1)='N3   ',atnam(2)='O6   ',
       r1 = 0.000, r2 = 2.800, r3 = 3.000, r4 = 3.300,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number   2
 &rst  iat = 29, 41, iresid = 1, atnam(1)='O2   ',atnam(2)='N1   ',
       r1 = 0.000, r2 = 2.620, r3 = 2.820, r4 = 3.000,
       rk2 =20.000, rk3 =20.000, &end
#flat angle constraint number   1
 &rst  iat = 29, 29, 41, iresid = 1,
       atnam(1)='N3   ',atnam(2)='H3  ',atnam(3)='O6   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =20.001, rk3 =20.001, &end
# flat angle constraint number   2
 &rst  iat = 29, 41, 41, iresid = 1,
       atnam(1)='O2   ',atnam(2)='H1   ',atnam(3)='N1   ',
       r1 = 160.0, r2 = 170.0, r3 = 190.0, r4 = 210.0,
       rk2 =20.001, rk3 =20.001, &end

#################################
# G7 Bform with 10-15deg slack  #
#################################

# torsion angle constraint number   1
 &rst  iat =   7,   7,   7,   7, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  -54.0, r2 = -45.0, r3 = -30.0, r4 = -22.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =   7,   7,   7,   7, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  5.0, r2 =  10.0, r3 =  30.0, r4 =  40.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =   7,   7,   7,   7, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   -10.0, r2 =   -1.0, r3 =    14.0, r4 =   24.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =   7,   7,   7,   7, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -40.0, r2 = -35.0, r3 = -25.0, r4 =  -16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =   7,   7,   7,   7, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  25.0, r2 =  35.0, r3 = 45.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end

# G30 Bform with 10-15deg slack
# torsion angle constraint number   1
 &rst  iat =   30,   30,   30,   30, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='C2'' ',atnam(4)='C1'' ',
       r1 =  -54.0, r2 = -45.0, r3 = -30.0, r4 = -22.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   2
 &rst  iat =   30,   30,   30,   30, iresid = 1,
       atnam(1)='O4'' ',atnam(2)='C4'' ',atnam(3)='C3'' ',atnam(4)='C2'' ',
       r1 =  5.0, r2 =  10.0, r3 =  30.0, r4 =  40.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   3
 &rst  iat =   30,   30,   30,   30, iresid = 1,
       atnam(1)='C1'' ',atnam(2)='O4'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 =   -10.0, r2 =   -1.0, r3 =    14.0, r4 =   24.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   4
 &rst  iat =   30,   30,   30,   30, iresid = 1,
       atnam(1)='C2'' ',atnam(2)='C1'' ',atnam(3)='O4'' ',atnam(4)='C4'' ',
       r1 = -40.0, r2 = -35.0, r3 = -25.0, r4 =  -16.0,
       rk2 =30.001, rk3 =30.001, &end
# torsion angle constraint number   5
 &rst  iat =   30,   30,   30,   30, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='C2'' ',atnam(3)='C1'' ',atnam(4)='O4'' ',
       r1 =  25.0, r2 =  35.0, r3 = 45.0, r4 = 50.0,
       rk2 =30.001, rk3 =30.001, &end

#########################################################
##      Backbone-torsion for dimer RNA molecule        ##
#########################################################

# torsion angle constraint number   2 beta
 &rst  iat =  2,  2,  2,  2, iresid = 1,    
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat =  2,  2,  2,  2, iresid = 1,    
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat =  2,  2,  2,  3, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat =  2,  2,  3,  3, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat =  2,  3,  3,  3, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat =  3,  3,  3,  3, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat =  3,  3,  3,  3, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat =  3,  3,  3,  4, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat =  3,  3,  4,  4, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat =  3,  4,  4,  4, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat =  4,  4,  4,  4, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat =  4,  4,  4,  4, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon 
 &rst  iat =  4,  4,  4,  5, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', 
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   5 zeta 
 &rst  iat =  4,  4,  5,  5, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', 
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, 
       rk2 =15.001, rk3 =15.001, &end 

# torsion angle constraint number   1 alpha 
 &rst  iat =  4,  5,  5,  5, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', 
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   2 beta 
 &rst  iat =  5,  5,  5,  5, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', 
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   3 gamma 
 &rst  iat =  5,  5,  5,  5, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', 
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   4 epsilon
 &rst  iat =  5,  5,  5,  6, iresid = 1,  
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat =  5,  5,  6,  6, iresid = 1,    
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat =  5,  6,  6,  6, iresid = 1,    
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat =  6,  6,  6,  6, iresid = 1,    
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat =  6,  6,  6,  6, iresid = 1,    
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat =  6,  6,  6,  7, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat =  6,  6,  7,  7, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

############### 
#  SECOND ARM #
###############

# torsion angle constraint number   1 alpha
 &rst  iat = 17, 18, 18, 18, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 18, 18, 18, 18, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 18, 18, 18, 18, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 18, 18, 18, 19, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 18, 18, 19, 19, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat = 18, 19, 19, 19, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 19, 19, 19, 19, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 19, 19, 19, 19, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon 
 &rst  iat = 19, 19, 19, 20, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', 
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   5 zeta 
 &rst  iat = 19, 19, 20, 20, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', 
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, 
       rk2 =15.001, rk3 =15.001, &end 

# torsion angle constraint number   1 alpha 
 &rst  iat = 19, 20, 20, 20, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', 
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   2 beta 
 &rst  iat = 20, 20, 20, 20, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', 
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   3 gamma 
 &rst  iat = 20, 20, 20, 20, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', 
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   4 epsilon
 &rst  iat = 20, 20, 20, 21, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 20, 20, 21, 21, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat = 20, 21, 21, 21, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 21, 21, 21, 21, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 21, 21, 21, 21, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 21, 21, 21, 22, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 21, 21, 22, 22, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat = 21, 22, 22, 22, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 22, 22, 22, 22, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 22, 22, 22, 22, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 22, 22, 22, 23, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 22, 22, 23, 23, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat = 22, 23, 23, 23, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 23, 23, 23, 23, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 23, 23, 23, 23, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end

## SECOND HAIRPIN  

# torsion angle constraint number   2 beta
 &rst  iat = 25, 25, 25, 25, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 25, 25, 25, 25, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 25, 25, 25, 26, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 25, 25, 26, 26, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat = 25, 26, 26, 26, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 26, 26, 26, 26, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 26, 26, 26, 26, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon 
 &rst  iat = 26, 26, 26, 27, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', 
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   5 zeta 
 &rst  iat = 26, 26, 27, 27, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', 
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, 
       rk2 =15.001, rk3 =15.001, &end 

# torsion angle constraint number   1 alpha 
 &rst  iat = 26, 27, 27, 27, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', 
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   2 beta 
 &rst  iat = 27, 27, 27, 27, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', 
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   3 gamma 
 &rst  iat = 27, 27, 27, 27, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', 
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   4 epsilon
 &rst  iat = 27, 27, 27, 28, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 27, 27, 28, 28, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat = 27, 28, 28, 28, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 28, 28, 28, 28, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 28, 28, 28, 28, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 28, 28, 28, 29, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 28, 28, 29, 29, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat = 28, 29, 29, 29, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 29, 29, 29, 29, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 29, 29, 29, 29, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 29, 29, 29, 30, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 29, 29, 30, 30, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat = 40, 41, 41, 41, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 41, 41, 41, 41, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 41, 41, 41, 41, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 41, 41, 41, 42, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 41, 41, 42, 42, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat = 41, 42, 42, 42, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 42, 42, 42, 42, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 42, 42, 42, 42, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon 
 &rst  iat = 42, 42, 42, 43, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ', 
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   5 zeta 
 &rst  iat = 42, 42, 43, 43, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ', 
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0, 
       rk2 =15.001, rk3 =15.001, &end 

# torsion angle constraint number   1 alpha 
 &rst  iat = 42, 43, 43, 43, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ', 
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   2 beta 
 &rst  iat = 43, 43, 43, 43, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ', 
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   3 gamma 
 &rst  iat = 43, 43, 43, 43, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ', 
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0, 
       rk2 =15.001, rk3 =15.001, &end 
# torsion angle constraint number   4 epsilon
 &rst  iat = 43, 43, 43, 44, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 43, 43, 44, 44, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat = 43, 44, 44, 44, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 44, 44, 44, 44, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 44, 44, 44, 44, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 44, 44, 44, 45, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 44, 44, 45, 45, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat = 44, 45, 45, 45, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 45, 45, 45, 45, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 45, 45, 45, 45, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 45, 45, 45, 46, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 45, 45, 46, 46, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 =15.001, rk3 =15.001, &end

# torsion angle constraint number   1 alpha
 &rst  iat = 45, 46, 46, 46, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 46, 46, 46, 46, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 =15.001, rk3 =15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 46, 46, 46, 46, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 =15.001, rk3 =15.001, &end

###################################
# CENTRAL HELIX BACKBONE TORSIONS #
###################################
# C11
# torsion angle constraint number   1 alpha
 &rst  iat = 10, 11, 11, 11, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 11, 11, 11, 11, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 11, 11, 11, 11, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 11, 11, 11, 12, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 11, 11, 12, 12, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 = 15.001, rk3 = 15.001, &end
# G12
# torsion angle constraint number   1 alpha
 &rst  iat = 11, 12, 12, 12, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 12, 12, 12, 12, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 12, 12, 12, 12, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 12, 12, 12, 13, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 12, 12, 13, 13, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 = 15.001, rk3 = 15.001, &end
# C13
# torsion angle constraint number   1 alpha
 &rst  iat = 12, 13, 13, 13, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 13, 13, 13, 13, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 13, 13, 13, 13, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 13, 13, 13, 14, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 13, 13, 14, 14, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 = 15.001, rk3 = 15.001, &end
# G14
# torsion angle constraint number   1 alpha
 &rst  iat = 13, 14, 14, 14, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 14, 14, 14, 14, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 14, 14, 14, 14, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 14, 14, 14, 15, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 14, 14, 15, 15, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 = 15.001, rk3 = 15.001, &end
# C34
# torsion angle constraint number   1 alpha
 &rst  iat = 33, 34, 34, 34, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 34, 34, 34, 34, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 34, 34, 34, 34, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 34, 34, 34, 35, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 34, 34, 35, 35, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 = 15.001, rk3 = 15.001, &end
# G35
# torsion angle constraint number   1 alpha
 &rst  iat = 34, 35, 35, 35, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 35, 35, 35, 35, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 35, 35, 35, 35, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 35, 35, 35, 36, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 35, 35, 36, 36, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 = 15.001, rk3 = 15.001, &end
# C36
# torsion angle constraint number   1 alpha
 &rst  iat = 35, 36, 36, 36, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 36, 36, 36, 36, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 36, 36, 36, 36, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 36, 36, 36, 37, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 36, 36, 37, 37, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 = 15.001, rk3 = 15.001, &end
# G37
# torsion angle constraint number   1 alpha
 &rst  iat = 36, 37, 37, 37, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = -92.0, r2 = -82.0, r3 = -42.0, r4 = -32.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   2 beta
 &rst  iat = 37, 37, 37, 37, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 = -209.0, r2 = -199.0, r3 = -159.0, r4 = -149.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   3 gamma
 &rst  iat = 37, 37, 37, 37, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 17.0, r2 = 27.0, r3 = 67.0, r4 = 77.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   4 epsilon
 &rst  iat = 37, 37, 37, 38, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = -181.0, r2 = -171.0, r3 = -131.0, r4 = -121.0,
       rk2 = 15.001, rk3 = 15.001, &end
# torsion angle constraint number   5 zeta
 &rst  iat = 37, 37, 38, 38, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 = -103.0, r2 = -93.0, r3 = -53.0, r4 = -43.0,
       rk2 = 15.001, rk3 = 15.001, &end
------------------------------------------------------------------------


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1  25.538   8.498 -13.795
    2   2H5*    G   1          2H5*        G   1  24.466   9.903 -13.959
    3    H4*    G   1           H4*        G   1  26.603  10.400 -14.972
    4    H3*    G   1           H3*        G   1  24.428   9.965 -17.063
    5   1H2*    G   1          1H2*        G   1  26.065  10.775 -18.640
    6   2HO*    G   1          2HO*        G   1  26.905  12.192 -16.762
    7    H1*    G   1           H1*        G   1  28.014   9.223 -17.789
    8    H8     G   1           H8         G   1  24.911   7.177 -17.153
    9    H1     G   1           H1         G   1  27.010   7.052 -23.231
   10   1H2     G   1          1H2         G   1  28.402   8.828 -23.542
   11   2H2     G   1          2H2         G   1  28.838   9.821 -22.129
   12    H5T    G   1          TH5         G   1  23.411   7.906 -14.470
   13   1H5*    G   2          1H5*        G   2  26.320  13.568 -18.017
   14   2H5*    G   2          2H5*        G   2  25.140  14.804 -18.459
   15    H4*    G   2           H4*        G   2  26.813  14.530 -20.231
   16    H3*    G   2           H3*        G   2  24.006  13.577 -20.886
   17   1H2*    G   2          1H2*        G   2  24.791  13.294 -23.147
   18   2HO*    G   2          2HO*        G   2  26.171  15.329 -22.627
   19    H1*    G   2           H1*        G   2  27.191  12.168 -22.465
   20    H8     G   2           H8         G   2  24.723  10.639 -20.075
   21    H1     G   2           H1         G   2  24.574   8.064 -25.973
   22   1H2     G   2          1H2         G   2  25.810   9.289 -27.376
   23   2H2     G   2          2H2         G   2  26.586  10.757 -26.743
   24   1H5*    C   3          1H5*        C   3  24.922  16.331 -23.900
   25   2H5*    C   3          2H5*        C   3  23.537  17.380 -24.249
   26    H4*    C   3           H4*        C   3  24.217  16.128 -26.256
   27    H3*    C   3           H3*        C   3  21.602  15.227 -25.058
   28   1H2*    C   3          1H2*        C   3  21.313  13.874 -26.981
   29   2HO*    C   3          2HO*        C   3  22.015  14.658 -28.816
   30    H1*    C   3           H1*        C   3  23.934  13.023 -27.026
   31   1H4     C   3          1H4         C   3  20.505   8.487 -24.346
   32   2H4     C   3          2H4         C   3  20.490   9.294 -22.774
   33    H5     C   3           H5         C   3  21.344  11.572 -22.506
   34    H6     C   3           H6         C   3  22.534  13.378 -23.629
   35   1H5*    A   4          1H5*        A   4  21.433  16.759 -29.061
   36   2H5*    A   4          2H5*        A   4  19.922  17.601 -29.446
   37    H4*    A   4           H4*        A   4  20.433  15.889 -31.156
   38    H3*    A   4           H3*        A   4  18.043  15.258 -29.396
   39   1H2*    A   4          1H2*        A   4  17.640  13.408 -30.816
   40   2HO*    A   4          2HO*        A   4  18.096  13.584 -32.832
   41    H1*    A   4           H1*        A   4  20.208  12.564 -30.855
   42    H8     A   4           H8         A   4  19.267  14.009 -27.413
   43   1H6     A   4          1H6         A   4  17.479   8.210 -26.139
   44   2H6     A   4          2H6         A   4  17.987   9.773 -25.483
   45    H2     A   4           H2         A   4  17.826   8.599 -30.559
   46   1H5*    A   5          1H5*        A   5  17.253  15.401 -33.521
   47   2H5*    A   5          2H5*        A   5  15.671  16.082 -33.941
   48    H4*    A   5           H4*        A   5  15.925  13.799 -34.911
   49    H3*    A   5           H3*        A   5  13.910  14.203 -32.687
   50   1H2*    A   5          1H2*        A   5  13.287  11.946 -32.894
   51   2HO*    A   5          2HO*        A   5  13.143  11.281 -34.872
   52    H1*    A   5           H1*        A   5  15.797  10.917 -33.203
   53    H8     A   5           H8         A   5  15.623  13.617 -30.416
   54   1H6     A   5          1H6         A   5  14.135   8.798 -26.747
   55   2H6     A   5          2H6         A   5  14.594  10.507 -26.819
   56    H2     A   5           H2         A   5  14.005   7.408 -30.949
   57   1H5*    U   6          1H5*        U   6  11.861  12.576 -36.088
   58   2H5*    U   6          2H5*        U   6  10.212  13.231 -36.209
   59    H4*    U   6           H4*        U   6  10.181  10.790 -35.918
   60    H3*    U   6           H3*        U   6   9.189  12.212 -33.417
   61   1H2*    U   6          1H2*        U   6   8.769   9.904 -32.616
   62   2HO*    U   6          2HO*        U   6   8.400   9.316 -35.034
   63    H1*    U   6           H1*        U   6  11.117   8.992 -33.249
   64    H3     U   6           H3         U   6  11.433   9.595 -28.741
   65    H5     U   6           H5         U   6  11.685  13.459 -30.303
   66    H6     U   6           H6         U   6  11.093  12.619 -32.423
   67   1H5*    G   7          1H5*        G   7   6.916   9.057 -33.788
   68   2H5*    G   7          2H5*        G   7   5.194   9.182 -33.635
   69    H4*    G   7           H4*        G   7   6.256   7.506 -32.114
   70    H3*    G   7           H3*        G   7   4.078   9.096 -31.237
   71   1H2*    G   7          1H2*        G   7   5.424  10.794 -30.257
   72   2HO*    G   7          2HO*        G   7   4.285   8.902 -28.744
   73    H1*    G   7           H1*        G   7   7.252   8.664 -29.061
   74    H8     G   7           H8         G   7   7.948  11.431 -31.630
   75    H1     G   7           H1         G   7  10.372  13.045 -26.022
   76   1H2     G   7          1H2         G   7  10.479  11.124 -24.720
   77   2H2     G   7          2H2         G   7   9.660   9.675 -25.307
   78   1H5*    A   8          1H5*        A   8   3.756   7.333 -27.159
   79   2H5*    A   8          2H5*        A   8   2.328   6.365 -27.609
   80    H4*    A   8           H4*        A   8   1.649   7.990 -26.039
   81    H3*    A   8           H3*        A   8   0.657   8.630 -28.843
   82   1H2*    A   8          1H2*        A   8  -0.658  10.281 -27.547
   83   2HO*    A   8          2HO*        A   8  -1.022   8.771 -25.862
   84    H1*    A   8           H1*        A   8   1.345  11.175 -25.959
   85    H8     A   8           H8         A   8   2.545  10.445 -29.589
   86   1H6     A   8          1H6         A   8   3.448  16.606 -29.430
   87   2H6     A   8          2H6         A   8   3.119  15.441 -30.761
   88    H2     A   8           H2         A   8   2.100  15.511 -25.707
   89   1H5*    A   9          1H5*        A   9  -2.891   6.322 -30.954
   90   2H5*    A   9          2H5*        A   9  -1.322   7.037 -31.327
   91    H4*    A   9           H4*        A   9  -2.611   8.193 -32.754
   92    H3*    A   9           H3*        A   9  -2.497   9.801 -30.198
   93   1H2*    A   9          1H2*        A   9  -3.649  11.476 -31.301
   94   2HO*    A   9          2HO*        A   9  -2.675  11.786 -33.289
   95    H1*    A   9           H1*        A   9  -5.204   9.874 -32.870
   96    H8     A   9           H8         A   9  -6.189   8.275 -30.109
   97   1H6     A   9          1H6         A   9 -10.072  12.891 -29.235
   98   2H6     A   9          2H6         A   9 -10.057  11.141 -29.065
   99    H2     A   9           H2         A   9  -6.537  14.403 -30.796
  100   1H5*    G  10          1H5*        G  10  -0.707  11.159 -33.839
  101   2H5*    G  10          2H5*        G  10   0.903  11.889 -33.738
  102    H4*    G  10           H4*        G  10  -0.671  13.240 -35.119
  103    H3*    G  10           H3*        G  10   0.180  14.532 -32.521
  104   1H2*    G  10          1H2*        G  10  -0.944  16.516 -33.271
  105   2HO*    G  10          2HO*        G  10  -1.246  16.912 -35.362
  106    H1*    G  10           H1*        G  10  -3.028  15.114 -34.256
  107    H8     G  10           H8         G  10  -2.096  14.272 -30.890
  108    H1     G  10           H1         G  10  -6.988  18.299 -31.929
  109   1H2     G  10          1H2         G  10  -7.236  18.380 -34.119
  110   2H2     G  10          2H2         G  10  -5.963  17.734 -35.191
  111   1H5*    C  11          1H5*        C  11   0.882  16.699 -36.109
  112   2H5*    C  11          2H5*        C  11   2.245  17.795 -36.008
  113    H4*    C  11           H4*        C  11   0.459  19.119 -36.707
  114    H3*    C  11           H3*        C  11   0.842  19.500 -33.747
  115   1H2*    C  11          1H2*        C  11  -0.532  21.453 -34.017
  116   2HO*    C  11          2HO*        C  11   0.658  21.666 -36.241
  117    H1*    C  11           H1*        C  11  -2.179  20.341 -35.727
  118   1H4     C  11          1H4         C  11  -5.113  20.848 -30.140
  119   2H4     C  11          2H4         C  11  -3.902  19.762 -29.494
  120    H5     C  11           H5         C  11  -2.287  18.667 -30.593
  121    H6     C  11           H6         C  11  -1.071  18.635 -32.605
  122   1H5*    G  12          1H5*        G  12   1.902  23.050 -35.420
  123   2H5*    G  12          2H5*        G  12   3.449  23.664 -34.797
  124    H4*    G  12           H4*        G  12   1.689  25.315 -34.320
  125    H3*    G  12           H3*        G  12   2.619  23.672 -31.924
  126   1H2*    G  12          1H2*        G  12   1.318  25.080 -30.532
  127   2HO*    G  12          2HO*        G  12   1.824  26.904 -32.201
  128    H1*    G  12           H1*        G  12  -0.834  24.934 -32.038
  129    H8     G  12           H8         G  12   0.638  21.457 -32.456
  130    H1     G  12           H1         G  12  -3.717  22.531 -27.970
  131   1H2     G  12          1H2         G  12  -4.079  24.809 -27.731
  132   2H2     G  12          2H2         G  12  -2.959  25.784 -28.671
  133   1H5*    C  13          1H5*        C  13   2.695  27.140 -30.408
  134   2H5*    C  13          2H5*        C  13   4.210  27.400 -29.568
  135    H4*    C  13           H4*        C  13   2.578  27.793 -27.992
  136    H3*    C  13           H3*        C  13   3.639  24.992 -27.590
  137   1H2*    C  13          1H2*        C  13   2.516  25.155 -25.472
  138   2HO*    C  13          2HO*        C  13   3.317  27.480 -25.383
  139    H1*    C  13           H1*        C  13   0.460  26.425 -26.333
  140   1H4     C  13          1H4         C  13  -1.771  20.589 -25.476
  141   2H4     C  13          2H4         C  13  -0.697  19.973 -26.692
  142    H5     C  13           H5         C  13   0.837  21.229 -27.876
  143    H6     C  13           H6         C  13   1.426  23.591 -28.549
  144   1H5*    G  14          1H5*        G  14   5.439  27.499 -24.455
  145   2H5*    G  14          2H5*        G  14   7.129  27.010 -24.246
  146    H4*    G  14           H4*        G  14   6.159  26.807 -22.101
  147    H3*    G  14           H3*        G  14   6.150  24.058 -23.403
  148   1H2*    G  14          1H2*        G  14   5.345  23.254 -21.282
  149   2HO*    G  14          2HO*        G  14   6.762  25.063 -20.289
  150    H1*    G  14           H1*        G  14   3.445  25.175 -20.999
  151    H8     G  14           H8         G  14   4.020  24.257 -24.683
  152    H1     G  14           H1         G  14  -0.182  20.460 -21.760
  153   1H2     G  14          1H2         G  14  -0.525  21.174 -19.618
  154   2H2     G  14          2H2         G  14   0.511  22.481 -19.022
  155   1H5*    C  15          1H5*        C  15   7.725  23.352 -19.722
  156   2H5*    C  15          2H5*        C  15   9.108  22.247 -19.732
  157    H4*    C  15           H4*        C  15   7.241  21.448 -18.288
  158    H3*    C  15           H3*        C  15   7.788  19.696 -20.726
  159   1H2*    C  15          1H2*        C  15   6.003  18.259 -19.793
  160   2HO*    C  15          2HO*        C  15   6.863  19.055 -17.607
  161    H1*    C  15           H1*        C  15   4.327  20.236 -19.271
  162   1H4     C  15          1H4         C  15   2.497  17.820 -24.644
  163   2H4     C  15          2H4         C  15   3.518  18.856 -25.645
  164    H5     C  15           H5         C  15   5.133  20.412 -24.568
  165    H6     C  15           H6         C  15   5.967  21.203 -22.410
  166   1H5*    A  16          1H5*        A  16   6.542  16.851 -18.087
  167   2H5*    A  16          2H5*        A  16   7.818  15.660 -17.809
  168    H4*    A  16           H4*        A  16   5.717  14.539 -18.522
  169    H3*    A  16           H3*        A  16   8.130  14.532 -20.386
  170   1H2*    A  16          1H2*        A  16   6.943  13.131 -21.759
  171   2HO*    A  16          2HO*        A  16   5.879  11.878 -20.184
  172    H1*    A  16           H1*        A  16   4.498  14.486 -21.746
  173    H8     A  16           H8         A  16   6.421  17.232 -21.444
  174   1H6     A  16          1H6         A  16   7.105  18.009 -27.496
  175   2H6     A  16          2H6         A  16   7.504  18.781 -25.939
  176    H2     A  16           H2         A  16   5.212  14.200 -26.747
  177   1H5*    C  17          1H5*        C  17   5.665  10.666 -18.481
  178   2H5*    C  17          2H5*        C  17   6.974   9.489 -18.228
  179    H4*    C  17           H4*        C  17   4.911   8.295 -19.031
  180    H3*    C  17           H3*        C  17   7.278   8.560 -20.920
  181   1H2*    C  17          1H2*        C  17   6.210   7.141 -22.453
  182   2HO*    C  17          2HO*        C  17   4.454   5.986 -22.055
  183    H1*    C  17           H1*        C  17   3.908   8.555 -22.448
  184   1H4     C  17          1H4         C  17   7.374  11.735 -26.398
  185   2H4     C  17          2H4         C  17   6.966  13.181 -25.403
  186    H5     C  17           H5         C  17   5.817  12.956 -23.334
  187    H6     C  17           H6         C  17   4.524  11.244 -22.095
  188   1H5*    G  18          1H5*        G  18   6.165   4.800 -20.952
  189   2H5*    G  18          2H5*        G  18   7.439   3.605 -20.954
  190    H4*    G  18           H4*        G  18   5.907   3.269 -22.869
  191    H3*    G  18           H3*        G  18   8.777   4.072 -23.428
  192   1H2*    G  18          1H2*        G  18   8.315   3.747 -25.772
  193   2HO*    G  18          2HO*        G  18   6.788   1.928 -24.923
  194    H1*    G  18           H1*        G  18   5.945   5.077 -25.780
  195    H8     G  18           H8         G  18   7.980   7.031 -23.383
  196    H1     G  18           H1         G  18  10.142   7.626 -29.420
  197   1H2     G  18          1H2         G  18   8.848   6.374 -30.754
  198   2H2     G  18          2H2         G  18   7.563   5.390 -30.032
  199   1H5*    U  19          1H5*        U  19   8.518   0.990 -25.902
  200   2H5*    U  19          2H5*        U  19   9.828  -0.166 -25.603
  201    H4*    U  19           H4*        U  19  10.063   0.605 -27.870
  202    H3*    U  19           H3*        U  19  12.042   1.865 -25.960
  203   1H2*    U  19          1H2*        U  19  13.035   2.925 -27.689
  204   2HO*    U  19          2HO*        U  19  13.285   1.814 -29.547
  205    H1*    U  19           H1*        U  19  10.752   3.468 -29.178
  206    H3     U  19           H3         U  19  13.466   7.021 -28.078
  207    H5     U  19           H5         U  19  11.825   5.687 -24.440
  208    H6     U  19           H6         U  19  10.630   4.010 -25.584
  209   1H5*    U  20          1H5*        U  20  13.794  -0.302 -29.266
  210   2H5*    U  20          2H5*        U  20  15.312  -1.107 -28.835
  211    H4*    U  20           H4*        U  20  15.641   0.399 -30.791
  212    H3*    U  20           H3*        U  20  16.970   1.179 -28.190
  213   1H2*    U  20          1H2*        U  20  17.900   3.033 -29.222
  214   2HO*    U  20          2HO*        U  20  18.683   2.606 -31.224
  215    H1*    U  20           H1*        U  20  15.748   3.662 -30.844
  216    H3     U  20           H3         U  20  16.817   7.169 -28.172
  217    H5     U  20           H5         U  20  16.237   4.026 -25.478
  218    H6     U  20           H6         U  20  15.544   2.609 -27.275
  219   1H5*    G  21          1H5*        G  21  19.398   0.660 -31.669
  220   2H5*    G  21          2H5*        G  21  20.945  -0.162 -31.410
  221    H4*    G  21           H4*        G  21  21.235   1.970 -32.704
  222    H3*    G  21           H3*        G  21  22.426   1.802 -29.931
  223   1H2*    G  21          1H2*        G  21  23.287   3.989 -30.163
  224   2HO*    G  21          2HO*        G  21  24.039   4.513 -32.063
  225    H1*    G  21           H1*        G  21  21.016   5.016 -31.389
  226    H8     G  21           H8         G  21  19.935   2.940 -28.767
  227    H1     G  21           H1         G  21  21.550   8.852 -26.895
  228   1H2     G  21          1H2         G  21  22.619   9.835 -28.584
  229   2H2     G  21          2H2         G  21  22.963   8.929 -30.081
  230   1H5*    C  22          1H5*        C  22  25.209   2.970 -33.059
  231   2H5*    C  22          2H5*        C  22  26.823   2.274 -32.827
  232    H4*    C  22           H4*        C  22  26.971   4.725 -33.016
  233    H3*    C  22           H3*        C  22  27.514   3.601 -30.244
  234   1H2*    C  22          1H2*        C  22  28.273   5.892 -29.724
  235   2HO*    C  22          2HO*        C  22  29.010   5.959 -32.081
  236    H1*    C  22           H1*        C  22  26.197   7.070 -30.768
  237   1H4     C  22          1H4         C  22  23.428   6.134 -25.184
  238   2H4     C  22          2H4         C  22  23.287   4.406 -25.482
  239    H5     C  22           H5         C  22  24.526   3.295 -27.312
  240    H6     C  22           H6         C  22  25.680   3.655 -29.323
  241   1H5*    C  23          1H5*        C  23  30.863   6.023 -30.983
  242   2H5*    C  23          2H5*        C  23  32.332   5.259 -30.355
  243    H4*    C  23           H4*        C  23  32.052   7.387 -29.253
  244    H3*    C  23           H3*        C  23  31.360   5.046 -27.426
  245   1H2*    C  23          1H2*        C  23  31.076   6.644 -25.681
  246   2HO*    C  23          2HO*        C  23  31.775   8.835 -25.963
  247    H1*    C  23           H1*        C  23  29.733   8.532 -27.228
  248   1H4     C  23          1H4         C  23  26.080   4.815 -23.626
  249   2H4     C  23          2H4         C  23  26.276   3.409 -24.688
  250    H5     C  23           H5         C  23  27.612   3.562 -26.774
  251    H6     C  23           H6         C  23  28.952   5.048 -28.111
  252    H3T    C  23          TH3         C  23  33.337   6.934 -27.085
  253   1H5*    G   1          1H5*        G   1 -30.413   8.999 -40.891
  254   2H5*    G   1          2H5*        G   1 -29.359  10.396 -40.595
  255    H4*    G   1           H4*        G   1 -31.519  10.791 -39.587
  256    H3*    G   1           H3*        G   1 -29.380  10.210 -37.496
  257   1H2*    G   1          1H2*        G   1 -31.054  10.877 -35.892
  258   2HO*    G   1          2HO*        G   1 -31.874  12.432 -37.667
  259    H1*    G   1           H1*        G   1 -32.971   9.381 -36.901
  260    H8     G   1           H8         G   1 -29.835   7.419 -37.637
  261    H1     G   1           H1         G   1 -32.047   6.792 -31.631
  262   1H2     G   1          1H2         G   1 -33.463   8.525 -31.206
  263   2H2     G   1          2H2         G   1 -33.883   9.624 -32.545
  264    H5T    G   1          TH5         G   1 -28.293   8.374 -40.224
  265   1H5*    G   2          1H5*        G   2 -31.326  13.709 -36.295
  266   2H5*    G   2          2H5*        G   2 -30.168  14.916 -35.733
  267    H4*    G   2           H4*        G   2 -31.871  14.487 -34.022
  268    H3*    G   2           H3*        G   2 -29.067  13.509 -33.390
  269   1H2*    G   2          1H2*        G   2 -29.892  13.040 -31.174
  270   2HO*    G   2          2HO*        G   2 -31.282  15.098 -31.557
  271    H1*    G   2           H1*        G   2 -32.266  11.951 -31.991
  272    H8     G   2           H8         G   2 -29.738  10.639 -34.446
  273    H1     G   2           H1         G   2 -29.673   7.604 -28.770
  274   1H2     G   2          1H2         G   2 -30.949   8.702 -27.298
  275   2H2     G   2          2H2         G   2 -31.727  10.209 -27.828
  276   1H5*    C   3          1H5*        C   3 -30.067  16.006 -30.184
  277   2H5*    C   3          2H5*        C   3 -28.701  17.035 -29.726
  278    H4*    C   3           H4*        C   3 -29.405  15.622 -27.838
  279    H3*    C   3           H3*        C   3 -26.759  14.842 -29.053
  280   1H2*    C   3          1H2*        C   3 -26.492  13.343 -27.239
  281   2HO*    C   3          2HO*        C   3 -27.237  13.972 -25.361
  282    H1*    C   3           H1*        C   3 -29.105  12.468 -27.313
  283   1H4     C   3          1H4         C   3 -25.579   8.190 -30.278
  284   2H4     C   3          2H4         C   3 -25.543   9.121 -31.780
  285    H5     C   3           H5         C   3 -26.415  11.404 -31.882
  286    H6     C   3           H6         C   3 -27.644  13.105 -30.643
  287   1H5*    A   4          1H5*        A   4 -26.681  16.051 -24.938
  288   2H5*    A   4          2H5*        A   4 -25.186  16.873 -24.458
  289    H4*    A   4           H4*        A   4 -25.712  15.026 -22.900
  290    H3*    A   4           H3*        A   4 -23.283  14.558 -24.658
  291   1H2*    A   4          1H2*        A   4 -22.887  12.605 -23.381
  292   2HO*    A   4          2HO*        A   4 -23.383  12.615 -21.367
  293    H1*    A   4           H1*        A   4 -25.446  11.738 -23.460
  294    H8     A   4           H8         A   4 -24.456  13.461 -26.758
  295   1H6     A   4          1H6         A   4 -22.585   7.797 -28.454
  296   2H6     A   4          2H6         A   4 -23.096   9.404 -28.993
  297    H2     A   4           H2         A   4 -23.019   7.830 -24.025
  298   1H5*    A   5          1H5*        A   5 -22.572  14.379 -20.520
  299   2H5*    A   5          2H5*        A   5 -21.005  15.038 -20.016
  300    H4*    A   5           H4*        A   5 -21.253  12.682 -19.236
  301    H3*    A   5           H3*        A   5 -19.202  13.280 -21.381
  302   1H2*    A   5          1H2*        A   5 -18.559  11.020 -21.342
  303   2HO*    A   5          2HO*        A   5 -18.445  10.201 -19.421
  304    H1*    A   5           H1*        A   5 -21.064   9.947 -21.165
  305    H8     A   5           H8         A   5 -20.866  12.863 -23.724
  306   1H6     A   5          1H6         A   5 -19.259   8.365 -27.736
  307   2H6     A   5          2H6         A   5 -19.737  10.058 -27.537
  308    H2     A   5           H2         A   5 -19.194   6.645 -23.656
  309   1H5*    U   6          1H5*        U   6 -17.200  11.406 -18.081
  310   2H5*    U   6          2H5*        U   6 -15.561  12.063 -17.876
  311    H4*    U   6           H4*        U   6 -15.499   9.653 -18.360
  312    H3*    U   6           H3*        U   6 -14.474  11.279 -20.720
  313   1H2*    U   6          1H2*        U   6 -14.016   9.046 -21.693
  314   2HO*    U   6          2HO*        U   6 -13.687   8.271 -19.323
  315    H1*    U   6           H1*        U   6 -16.366   8.066 -21.181
  316    H3     U   6           H3         U   6 -16.604   9.024 -25.632
  317    H5     U   6           H5         U   6 -16.925  12.749 -23.773
  318    H6     U   6           H6         U   6 -16.364  11.747 -21.715
  319   1H5*    G   7          1H5*        G   7 -12.177   8.125 -20.556
  320   2H5*    G   7          2H5*        G   7 -10.454   8.276 -20.666
  321    H4*    G   7           H4*        G   7 -11.469   6.718 -22.336
  322    H3*    G   7           H3*        G   7  -9.292   8.392 -23.041
  323   1H2*    G   7          1H2*        G   7 -10.637  10.150 -23.908
  324   2HO*    G   7          2HO*        G   7  -9.450   8.395 -25.544
  325    H1*    G   7           H1*        G   7 -12.420   8.107 -25.306
  326    H8     G   7           H8         G   7 -13.193  10.654 -22.538
  327    H1     G   7           H1         G   7 -15.527  12.689 -28.047
  328   1H2     G   7          1H2         G   7 -15.590  10.877 -29.499
  329   2H2     G   7          2H2         G   7 -14.767   9.393 -29.013
  330   1H5*    A   8          1H5*        A   8  -8.875   6.963 -27.239
  331   2H5*    A   8          2H5*        A   8  -7.446   5.974 -26.840
  332    H4*    A   8           H4*        A   8  -6.754   7.726 -28.261
  333    H3*    A   8           H3*        A   8  -5.822   8.149 -25.396
  334   1H2*    A   8          1H2*        A   8  -4.500   9.909 -26.530
  335   2HO*    A   8          2HO*        A   8  -4.089   8.541 -28.323
  336    H1*    A   8           H1*        A   8  -6.482  10.909 -28.081
  337    H8     A   8           H8         A   8  -7.742   9.881 -24.545
  338   1H6     A   8          1H6         A   8  -8.706  16.027 -24.231
  339   2H6     A   8          2H6         A   8  -8.389  14.763 -22.990
  340    H2     A   8           H2         A   8  -7.277  15.244 -28.002
  341   1H5*    A   9          1H5*        A   9  -2.291   5.711 -23.407
  342   2H5*    A   9          2H5*        A   9  -3.874   6.380 -23.008
  343    H4*    A   9           H4*        A   9  -2.624   7.429 -21.469
  344    H3*    A   9           H3*        A   9  -2.707   9.235 -23.891
  345   1H2*    A   9          1H2*        A   9  -1.593  10.827 -22.636
  346   2HO*    A   9          2HO*        A   9  -2.607  10.969 -20.649
  347    H1*    A   9           H1*        A   9  -0.051   9.118 -21.169
  348    H8     A   9           H8         A   9   1.002   7.753 -24.029
  349   1H6     A   9          1H6         A   9   4.854  12.459 -24.456
  350   2H6     A   9          2H6         A   9   4.859  10.727 -24.766
  351    H2     A   9           H2         A   9   1.274  13.810 -22.850
  352   1H5*    G  10          1H5*        G  10  -4.578  10.282 -20.189
  353   2H5*    G  10          2H5*        G  10  -6.193  11.004 -20.263
  354    H4*    G  10           H4*        G  10  -4.660  12.255 -18.749
  355    H3*    G  10           H3*        G  10  -5.475  13.742 -21.251
  356   1H2*    G  10          1H2*        G  10  -4.386  15.669 -20.324
  357   2HO*    G  10          2HO*        G  10  -4.127  15.900 -18.203
  358    H1*    G  10           H1*        G  10  -2.306  14.212 -19.413
  359    H8     G  10           H8         G  10  -3.166  13.633 -22.853
  360    H1     G  10           H1         G  10   1.664  17.607 -21.401
  361   1H2     G  10          1H2         G  10   1.870  17.516 -19.208
  362   2H2     G  10          2H2         G  10   0.583  16.775 -18.215
  363   1H5*    C  11          1H5*        C  11  -6.267  15.610 -17.516
  364   2H5*    C  11          2H5*        C  11  -7.638  16.698 -17.557
  365    H4*    C  11           H4*        C  11  -5.880  17.978 -16.720
  366    H3*    C  11           H3*        C  11  -6.211  18.590 -19.647
  367   1H2*    C  11          1H2*        C  11  -4.863  20.528 -19.196
  368   2HO*    C  11          2HO*        C  11  -6.096  20.552 -16.986
  369    H1*    C  11           H1*        C  11  -3.237  19.297 -17.547
  370   1H4     C  11          1H4         C  11  -0.204  20.274 -23.018
  371   2H4     C  11          2H4         C  11  -1.391  19.232 -23.772
  372    H5     C  11           H5         C  11  -3.015  18.039 -22.796
  373    H6     C  11           H6         C  11  -4.268  17.836 -20.816
  374   1H5*    G  12          1H5*        G  12  -7.338  21.986 -17.717
  375   2H5*    G  12          2H5*        G  12  -8.880  22.634 -18.320
  376    H4*    G  12           H4*        G  12  -7.129  24.333 -18.629
  377    H3*    G  12           H3*        G  12  -7.996  22.879 -21.166
  378   1H2*    G  12          1H2*        G  12  -6.684  24.405 -22.416
  379   2HO*    G  12          2HO*        G  12  -7.240  26.085 -20.617
  380    H1*    G  12           H1*        G  12  -4.559  24.158 -20.885
  381    H8     G  12           H8         G  12  -6.003  20.645 -20.774
  382    H1     G  12           H1         G  12  -1.576  22.112 -25.074
  383   1H2     G  12          1H2         G  12  -1.233  24.405 -25.124
  384   2H2     G  12          2H2         G  12  -2.381  25.292 -24.131
  385   1H5*    C  13          1H5*        C  13  -8.080  26.456 -22.403
  386   2H5*    C  13          2H5*        C  13  -9.581  26.769 -23.249
  387    H4*    C  13           H4*        C  13  -7.923  27.301 -24.756
  388    H3*    C  13           H3*        C  13  -8.948  24.531 -25.401
  389   1H2*    C  13          1H2*        C  13  -7.787  24.873 -27.477
  390   2HO*    C  13          2HO*        C  13  -8.610  27.191 -27.396
  391    H1*    C  13           H1*        C  13  -5.761  26.088 -26.477
  392   1H4     C  13          1H4         C  13  -3.454  20.359 -27.752
  393   2H4     C  13          2H4         C  13  -4.545  19.638 -26.611
  394    H5     C  13           H5         C  13  -6.113  20.782 -25.360
  395    H6     C  13           H6         C  13  -6.739  23.077 -24.513
  396   1H5*    G  14          1H5*        G  14 -10.714  27.264 -28.360
  397   2H5*    G  14          2H5*        G  14 -12.395  26.778 -28.641
  398    H4*    G  14           H4*        G  14 -11.383  26.756 -30.776
  399    H3*    G  14           H3*        G  14 -11.370  23.913 -29.697
  400   1H2*    G  14          1H2*        G  14 -10.517  23.287 -31.859
  401   2HO*    G  14          2HO*        G  14 -11.934  25.157 -32.733
  402    H1*    G  14           H1*        G  14  -8.632  25.241 -31.951
  403    H8     G  14           H8         G  14  -9.267  24.027 -28.364
  404    H1     G  14           H1         G  14  -4.972  20.512 -31.498
  405   1H2     G  14          1H2         G  14  -4.596  21.398 -33.569
  406   2H2     G  14          2H2         G  14  -5.634  22.739 -34.079
  407   1H5*    C  15          1H5*        C  15 -12.868  23.488 -33.453
  408   2H5*    C  15          2H5*        C  15 -14.240  22.374 -33.558
  409    H4*    C  15           H4*        C  15 -12.338  21.709 -35.024
  410    H3*    C  15           H3*        C  15 -12.912  19.764 -32.745
  411   1H2*    C  15          1H2*        C  15 -11.095  18.421 -33.754
  412   2HO*    C  15          2HO*        C  15 -11.922  19.382 -35.886
  413    H1*    C  15           H1*        C  15  -9.431  20.448 -34.084
  414   1H4     C  15          1H4         C  15  -7.677  17.627 -28.886
  415   2H4     C  15          2H4         C  15  -8.727  18.572 -27.825
  416    H5     C  15           H5         C  15 -10.338  20.194 -28.807
  417    H6     C  15           H6         C  15 -11.139  21.148 -30.911
  418   1H5*    A  16          1H5*        A  16 -11.588  17.149 -35.577
  419   2H5*    A  16          2H5*        A  16 -12.847  15.973 -35.973
  420    H4*    A  16           H4*        A  16 -10.748  14.817 -35.311
  421    H3*    A  16           H3*        A  16 -13.195  14.640 -33.501
  422   1H2*    A  16          1H2*        A  16 -12.019  13.145 -32.221
  423   2HO*    A  16          2HO*        A  16 -10.914  12.030 -33.870
  424    H1*    A  16           H1*        A  16  -9.589  14.518 -32.078
  425    H8     A  16           H8         A  16 -11.534  17.262 -32.198
  426   1H6     A  16          1H6         A  16 -12.340  17.548 -26.118
  427   2H6     A  16          2H6         A  16 -12.717  18.438 -27.616
  428    H2     A  16           H2         A  16 -10.394  13.827 -27.131
  429   1H5*    C  17          1H5*        C  17 -10.655  10.961 -35.659
  430   2H5*    C  17          2H5*        C  17 -11.947   9.796 -36.031
  431    H4*    C  17           H4*        C  17  -9.887   8.559 -35.285
  432    H3*    C  17           H3*        C  17 -12.292   8.653 -33.428
  433   1H2*    C  17          1H2*        C  17 -11.239   7.125 -31.992
  434   2HO*    C  17          2HO*        C  17  -9.464   6.021 -32.446
  435    H1*    C  17           H1*        C  17  -8.951   8.556 -31.839
  436   1H4     C  17          1H4         C  17 -12.523  11.379 -27.717
  437   2H4     C  17          2H4         C  17 -12.112  12.903 -28.586
  438    H5     C  17           H5         C  17 -10.922  12.855 -30.644
  439    H6     C  17           H6         C  17  -9.588  11.258 -31.989
  440   1H5*    G  18          1H5*        G  18 -11.141   4.912 -33.673
  441   2H5*    G  18          2H5*        G  18 -12.402   3.709 -33.792
  442    H4*    G  18           H4*        G  18 -10.903   3.235 -31.880
  443    H3*    G  18           H3*        G  18 -13.792   3.965 -31.315
  444   1H2*    G  18          1H2*        G  18 -13.371   3.459 -28.996
  445   2HO*    G  18          2HO*        G  18 -11.809   1.727 -29.957
  446    H1*    G  18           H1*        G  18 -11.014   4.805 -28.836
  447    H8     G  18           H8         G  18 -13.024   6.925 -31.108
  448    H1     G  18           H1         G  18 -15.305   7.019 -25.087
  449   1H2     G  18          1H2         G  18 -14.024   5.676 -23.831
  450   2H2     G  18          2H2         G  18 -12.715   4.763 -24.605
  451   1H5*    U  19          1H5*        U  19 -13.548   0.698 -29.089
  452   2H5*    U  19          2H5*        U  19 -14.840  -0.442 -29.505
  453    H4*    U  19           H4*        U  19 -15.125   0.145 -27.189
  454    H3*    U  19           H3*        U  19 -17.081   1.536 -29.031
  455   1H2*    U  19          1H2*        U  19 -18.116   2.446 -27.243
  456   2HO*    U  19          2HO*        U  19 -18.390   1.188 -25.485
  457    H1*    U  19           H1*        U  19 -15.868   2.888 -25.671
  458    H3     U  19           H3         U  19 -18.597   6.493 -26.537
  459    H5     U  19           H5         U  19 -16.874   5.468 -30.238
  460    H6     U  19           H6         U  19 -15.684   3.716 -29.208
  461   1H5*    U  20          1H5*        U  20 -18.872  -0.904 -25.943
  462   2H5*    U  20          2H5*        U  20 -20.374  -1.685 -26.466
  463    H4*    U  20           H4*        U  20 -20.754  -0.343 -24.404
  464    H3*    U  20           H3*        U  20 -22.042   0.630 -26.959
  465   1H2*    U  20          1H2*        U  20 -23.011   2.388 -25.801
  466   2HO*    U  20          2HO*        U  20 -23.826   1.796 -23.856
  467    H1*    U  20           H1*        U  20 -20.896   2.905 -24.093
  468    H3     U  20           H3         U  20 -21.951   6.604 -26.498
  469    H5     U  20           H5         U  20 -21.288   3.690 -29.421
  470    H6     U  20           H6         U  20 -20.614   2.142 -27.730
  471   1H5*    G  21          1H5*        G  21 -24.530  -0.186 -23.581
  472   2H5*    G  21          2H5*        G  21 -26.063  -0.998 -23.935
  473    H4*    G  21           H4*        G  21 -26.399   1.021 -22.481
  474    H3*    G  21           H3*        G  21 -27.537   1.064 -25.281
  475   1H2*    G  21          1H2*        G  21 -28.424   3.219 -24.893
  476   2HO*    G  21          2HO*        G  21 -29.217   3.583 -22.973
  477    H1*    G  21           H1*        G  21 -26.187   4.164 -23.545
  478    H8     G  21           H8         G  21 -25.036   2.314 -26.302
  479    H1     G  21           H1         G  21 -26.676   8.342 -27.729
  480   1H2     G  21          1H2         G  21 -27.787   9.178 -25.988
  481   2H2     G  21          2H2         G  21 -28.150   8.152 -24.575
  482   1H5*    C  22          1H5*        C  22 -30.389   1.955 -22.126
  483   2H5*    C  22          2H5*        C  22 -31.992   1.265 -22.444
  484    H4*    C  22           H4*        C  22 -32.168   3.692 -22.063
  485    H3*    C  22           H3*        C  22 -32.647   2.788 -24.926
  486   1H2*    C  22          1H2*        C  22 -33.421   5.106 -25.276
  487   2HO*    C  22          2HO*        C  22 -34.202   4.979 -22.936
  488    H1*    C  22           H1*        C  22 -31.376   6.216 -24.102
  489   1H4     C  22          1H4         C  22 -28.493   5.752 -29.688
  490   2H4     C  22          2H4         C  22 -28.340   4.007 -29.525
  491    H5     C  22           H5         C  22 -29.602   2.743 -27.814
  492    H6     C  22           H6         C  22 -30.797   2.932 -25.804
  493   1H5*    C  23          1H5*        C  23 -36.034   5.114 -24.062
  494   2H5*    C  23          2H5*        C  23 -37.483   4.389 -24.777
  495    H4*    C  23           H4*        C  23 -37.204   6.602 -25.701
  496    H3*    C  23           H3*        C  23 -36.455   4.419 -27.695
  497   1H2*    C  23          1H2*        C  23 -36.154   6.154 -29.301
  498   2HO*    C  23          2HO*        C  23 -36.881   8.309 -28.860
  499    H1*    C  23           H1*        C  23 -34.860   7.925 -27.583
  500   1H4     C  23          1H4         C  23 -31.102   4.539 -31.397
  501   2H4     C  23          2H4         C  23 -31.303   3.051 -30.454
  502    H5     C  23           H5         C  23 -32.680   3.025 -28.389
  503    H6     C  23           H6         C  23 -34.060   4.388 -26.965
  504    H3T    C  23          TH3         C  23 -38.444   6.311 -27.923
   
  No H/Q in entry =         504