*HEADER    CELL ADHESION                           01-SEP-04   1W7D
*TITLE     NMR STRUCTURE OF FASCICLIN-LIKE PROTEIN FROM RHODOBACTER
*TITLE    2 SPHAEROIDES
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: FASCICLIN-LIKE PROTEIN;
*COMPND   3 CHAIN: A;
*COMPND   4 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   3 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);
*SOURCE   4 EXPRESSION_SYSTEM_PLASMID: PET14B;
*SOURCE   5 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES;
*SOURCE   6 ATCC: NCIB 8253
*KEYWDS    FASCICLIN, RHODOBACTER SPHAEROIDES, CELL ADHESION
*EXPDTA    NMR, 1 STRUCTURE
*AUTHOR    R.MOODY,M.PHILLIPS-JONES,M.WILLIAMSON
*REVDAT   1   02-SEP-04 1W7D    0




EXPERIMENTALLY DERIVED DATA AND H-BONDS USED IN STRUCTURE CALCULATION
H-BONDS
assign (resid  109  and name HN   )(resid  121  and name O    )   2.3 0.5 0.2
assign (resid  109  and name N    )(resid  121  and name O    )   3.3 0.8 0.2
assign (resid  121  and name HN   )(resid  109  and name O    )   2.3 0.5 0.2 
assign (resid  121  and name N    )(resid  109  and name O    )   3.3 0.8 0.2
assign (resid  139  and name HN   )(resid  146  and name O    )   2.3 0.5 0.2
assign (resid  139  and name N    )(resid  146  and name O    )   2.3 0.5 0.2
assign (resid  111  and name HN   )(resid  119  and name O    )   2.3 0.5 0.2
assign (resid  111  and name N    )(resid  119  and name O    )   3.3 0.8 0.2
assign (resid  141  and name HN   )(resid  144  and name O    )   2.3 0.5 0.2
assign (resid  141  and name N    )(resid  144  and name O    )   3.3 0.8 0.2
assign (resid  146  and name HN   )(resid  139  and name O    )   2.3 0.5 0.2
assign (resid  146  and name N    )(resid  139  and name O    )   3.3 0.8 0.2
assign (resid  113  and name HN   )(resid  117  and name O    )   2.3 0.5 0.2
assign (resid  113  and name N    )(resid  117  and name O    )   3.3 0.8 0.2
assign (resid  117  and name HN   )(resid  113  and name O    )   2.3 0.5 0.2
assign (resid  117  and name N    )(resid  113  and name O    )   3.3 0.8 0.2
assign (resid  130  and name HN   )(resid  120  and name O    )   2.3 0.5 0.2
assign (resid  130  and name N    )(resid  120  and name O    )   3.3 0.8 0.2
assign (resid  119  and name HN   )(resid  111  and name O    )   2.3 0.5 0.2
assign (resid  119  and name N    )(resid  111  and name O    )   3.3 0.8 0.2
assign (resid  128  and name HN   )(resid  122  and name O    )   2.3 0.5 0.2
assign (resid  128  and name N    )(resid  122  and name O    )   3.3 0.8 0.2
assign (resid  122  and name HN   )(resid  128  and name O    )   2.3 0.5 0.2
assign (resid  122  and name N    )(resid  128  and name O    )   3.3 0.8 0.2
assign (resid   61  and name HN   )(resid  147  and name O    )   2.3 0.5 0.2
assign (resid   61  and name N    )(resid  147  and name O    )   3.3 0.8 0.2
assign (resid   59  and name HN   )(resid  145  and name O    )   2.3 0.5 0.2
assign (resid   59  and name N    )(resid  145  and name O    )   3.3 0.8 0.2 
assign (resid   63  and name HN   )(resid  149  and name O    )   2.3 0.5 0.2
assign (resid   63  and name N    )(resid  149  and name O    )   3.3 0.8 0.2
assign (resid   25  and name O    )(resid   29  and name N    )   2.8 0.4 0.7
assign (resid   25  and name O    )(resid   29  and name HN   )   1.8 0.3 0.7
assign (resid   26  and name O    )(resid   30  and name N    )   2.8 0.4 0.7
assign (resid   26  and name O    )(resid   30  and name HN   )   1.8 0.3 0.7
assign (resid   40  and name O    )(resid   44  and name N    )   2.8 0.4 0.7
assign (resid   40  and name O    )(resid   44  and name HN   )   1.8 0.3 0.7
assign (resid   64  and name O    )(resid   68  and name N    )   2.8 0.4 0.7
assign (resid   64  and name O    )(resid   68  and name HN   )   1.8 0.3 0.7
assign (resid   65  and name O    )(resid   69  and name N    )   2.8 0.4 0.7
assign (resid   65  and name O    )(resid   69  and name HN   )   1.8 0.3 0.7
assign (resid   74  and name O    )(resid   78  and name N    )   2.8 0.4 0.7
assign (resid   74  and name O    )(resid   78  and name HN   )   1.8 0.3 0.7
assign (resid   75  and name O    )(resid   79  and name N    )   2.8 0.4 0.7
assign (resid   75  and name O    )(resid   79  and name HN   )   1.8 0.3 0.7
assign (resid   82  and name O    )(resid   86  and name N    )   2.8 0.4 0.7
assign (resid   82  and name O    )(resid   86  and name HN   )   1.8 0.3 0.7
assign (resid   83  and name O    )(resid   87  and name N    )   2.8 0.4 0.7
assign (resid   83  and name O    )(resid   87  and name HN   )   1.8 0.3 0.7
assign (resid   84  and name O    )(resid   88  and name N    )   2.8 0.4 0.7
assign (resid   84  and name O    )(resid   88  and name HN   )   1.8 0.3 0.7
assign (resid   85  and name O    )(resid   89  and name N    )   2.8 0.4 0.7
assign (resid   85  and name O    )(resid   89  and name HN   )   1.8 0.3 0.7
assign (resid   86  and name O    )(resid   90  and name N    )   2.8 0.4 0.7
assign (resid   86  and name O    )(resid   90  and name HN   )   1.8 0.3 0.7
DIHEDRAL RESTRAINTS
assign (resid  24 and name c ) (resid  25 and name n ) 
 (resid  25 and name ca ) (resid  25 and name c ) 1.0   -63 10  2 ! 25 -63 10
assign (resid  25 and name n ) (resid  25 and name ca ) 
 (resid  25 and name c ) (resid  26 and name n ) 1.0   -45 14  2 ! 25 -45 14
assign (resid  25 and name c ) (resid  26 and name n ) 
 (resid  26 and name ca ) (resid  26 and name c ) 1.0   -62 8  2 ! 26 -62 8
assign (resid  26 and name n ) (resid  26 and name ca ) 
 (resid  26 and name c ) (resid  27 and name n ) 1.0   -38 18  2 ! 26 -38 18
assign (resid  26 and name c ) (resid  27 and name n ) 
 (resid  27 and name ca ) (resid  27 and name c ) 1.0   -64 16  2 ! 27 -64 16
assign (resid  28 and name n ) (resid  28 and name ca ) 
 (resid  28 and name c ) (resid  29 and name n ) 1.0   -40 12  2 ! 28 -40 12
assign (resid  29 and name n ) (resid  29 and name ca ) 
 (resid  29 and name c ) (resid  30 and name n ) 1.0   -42 18  2 ! 29 -42 18
assign (resid  29 and name c ) (resid  30 and name n ) 
 (resid  30 and name ca ) (resid  30 and name c ) 1.0   -65 12  2 ! 30 -65 12
assign (resid  30 and name n ) (resid  30 and name ca ) 
 (resid  30 and name c ) (resid  31 and name n ) 1.0   -36 24  2 ! 30 -36 24
assign (resid  35 and name c ) (resid  36 and name n ) 
 (resid  36 and name ca ) (resid  36 and name c ) 1.0   -63 14  2 ! 36 -63 14
assign (resid  36 and name n ) (resid  36 and name ca ) 
 (resid  36 and name c ) (resid  37 and name n ) 1.0   -39 20  2 ! 36 -39 20
assign (resid  36 and name c ) (resid  37 and name n ) 
 (resid  37 and name ca ) (resid  37 and name c ) 1.0   -69 18  2 ! 37 -69 18
assign (resid  39 and name n ) (resid  39 and name ca ) 
 (resid  39 and name c ) (resid  40 and name n ) 1.0   -37 24  2 ! 39 -37 24
assign (resid  39 and name c ) (resid  40 and name n ) 
 (resid  40 and name ca ) (resid  40 and name c ) 1.0   -68 16  2 ! 40 -68 16
assign (resid  40 and name n ) (resid  40 and name ca ) 
 (resid  40 and name c ) (resid  41 and name n ) 1.0   -41 14  2 ! 40 -41 14
assign (resid  41 and name c ) (resid  42 and name n ) 
 (resid  42 and name ca ) (resid  42 and name c ) 1.0   -63 12  2 ! 42 -63 12
assign (resid  42 and name n ) (resid  42 and name ca ) 
 (resid  42 and name c ) (resid  43 and name n ) 1.0   -42 14  2 ! 42 -42 14
assign (resid  42 and name c ) (resid  43 and name n ) 
 (resid  43 and name ca ) (resid  43 and name c ) 1.0   -62 16  2 ! 43 -62 16
assign (resid  43 and name n ) (resid  43 and name ca ) 
 (resid  43 and name c ) (resid  44 and name n ) 1.0   -38 18  2 ! 43 -38 18
assign (resid  43 and name c ) (resid  44 and name n ) 
 (resid  44 and name ca ) (resid  44 and name c ) 1.0   -67 12  2 ! 44 -67 12
assign (resid  44 and name n ) (resid  44 and name ca ) 
 (resid  44 and name c ) (resid  45 and name n ) 1.0   -27 24  2 ! 44 -27 24
assign (resid  44 and name c ) (resid  45 and name n ) 
 (resid  45 and name ca ) (resid  45 and name c ) 1.0   -88 20  2 ! 45 -88 20
assign (resid  45 and name n ) (resid  45 and name ca ) 
 (resid  45 and name c ) (resid  46 and name n ) 1.0   3 26  2 ! 45 3 26
assign (resid  46 and name c ) (resid  47 and name n ) 
 (resid  47 and name ca ) (resid  47 and name c ) 1.0   -101 24  2 ! 47 -101 24
assign (resid  47 and name n ) (resid  47 and name ca ) 
 (resid  47 and name c ) (resid  48 and name n ) 1.0   0 30  2 ! 47 0 30
assign (resid  47 and name c ) (resid  48 and name n ) 
 (resid  48 and name ca ) (resid  48 and name c ) 1.0   -59 14  2 ! 48 -59 14
assign (resid  48 and name n ) (resid  48 and name ca ) 
 (resid  48 and name c ) (resid  49 and name n ) 1.0   -40 22  2 ! 48 -40 22
assign (resid  48 and name c ) (resid  49 and name n ) 
 (resid  49 and name ca ) (resid  49 and name c ) 1.0   -63 6  2 ! 49 -63 6
assign (resid  49 and name n ) (resid  49 and name ca ) 
 (resid  49 and name c ) (resid  50 and name n ) 1.0   -36 18  2 ! 49 -36 18
assign (resid  49 and name c ) (resid  50 and name n ) 
 (resid  50 and name ca ) (resid  50 and name c ) 1.0   -65 20  2 ! 50 -65 20
assign (resid  50 and name n ) (resid  50 and name ca ) 
 (resid  50 and name c ) (resid  51 and name n ) 1.0   -42 10  2 ! 50 -42 10
assign (resid  50 and name c ) (resid  51 and name n ) 
 (resid  51 and name ca ) (resid  51 and name c ) 1.0   -75 24  2 ! 51 -75 24
assign (resid  51 and name n ) (resid  51 and name ca ) 
 (resid  51 and name c ) (resid  52 and name n ) 1.0   -21 38  2 ! 51 -21 38
assign (resid  51 and name c ) (resid  52 and name n ) 
 (resid  52 and name ca ) (resid  52 and name c ) 1.0   -93 24  2 ! 52 -93 24
assign (resid  52 and name n ) (resid  52 and name ca ) 
 (resid  52 and name c ) (resid  53 and name n ) 1.0   5 32  2 ! 52 5 32
assign (resid  55 and name c ) (resid  56 and name n ) 
 (resid  56 and name ca ) (resid  56 and name c ) 1.0   -110 68  2 ! 56 -110 68
assign (resid  56 and name n ) (resid  56 and name ca ) 
 (resid  56 and name c ) (resid  57 and name n ) 1.0   145 26  2 ! 56 145 26
assign (resid  56 and name c ) (resid  57 and name n ) 
 (resid  57 and name ca ) (resid  57 and name c ) 1.0   -141 30  2 ! 57 -141 30
assign (resid  57 and name n ) (resid  57 and name ca ) 
 (resid  57 and name c ) (resid  58 and name n ) 1.0   151 26  2 ! 57 151 26
assign (resid  57 and name c ) (resid  58 and name n ) 
 (resid  58 and name ca ) (resid  58 and name c ) 1.0   -105 34  2 ! 58 -105 34
assign (resid  58 and name n ) (resid  58 and name ca ) 
 (resid  58 and name c ) (resid  59 and name n ) 1.0   127 26  2 ! 58 127 26
assign (resid  58 and name c ) (resid  59 and name n ) 
 (resid  59 and name ca ) (resid  59 and name c ) 1.0   -116 42  2 ! 59 -116 42
assign (resid  59 and name n ) (resid  59 and name ca ) 
 (resid  59 and name c ) (resid  60 and name n ) 1.0   123 14  2 ! 59 123 14
assign (resid  59 and name c ) (resid  60 and name n ) 
 (resid  60 and name ca ) (resid  60 and name c ) 1.0   -109 30  2 ! 60 -109 30
assign (resid  60 and name n ) (resid  60 and name ca ) 
 (resid  60 and name c ) (resid  61 and name n ) 1.0   119 30  2 ! 60 119 30
assign (resid  60 and name c ) (resid  61 and name n ) 
 (resid  61 and name ca ) (resid  61 and name c ) 1.0   -113 52  2 ! 61 -113 52
assign (resid  61 and name n ) (resid  61 and name ca ) 
 (resid  61 and name c ) (resid  62 and name n ) 1.0   140 26  2 ! 61 140 26
assign (resid  62 and name c ) (resid  63 and name n ) 
 (resid  63 and name ca ) (resid  63 and name c ) 1.0   -95 34  2 ! 63 -95 34
assign (resid  63 and name n ) (resid  63 and name ca ) 
 (resid  63 and name c ) (resid  64 and name n ) 1.0   168 14  2 ! 63 168 14
assign (resid  63 and name c ) (resid  64 and name n ) 
 (resid  64 and name ca ) (resid  64 and name c ) 1.0   -60 8  2 ! 64 -60 8
assign (resid  64 and name n ) (resid  64 and name ca ) 
 (resid  64 and name c ) (resid  65 and name n ) 1.0   -38 14  2 ! 64 -38 14
assign (resid  65 and name c ) (resid  66 and name n ) 
 (resid  66 and name ca ) (resid  66 and name c ) 1.0   -65 16  2 ! 66 -65 16
assign (resid  66 and name n ) (resid  66 and name ca ) 
 (resid  66 and name c ) (resid  67 and name n ) 1.0   -39 28  2 ! 66 -39 28
assign (resid  66 and name c ) (resid  67 and name n ) 
 (resid  67 and name ca ) (resid  67 and name c ) 1.0   -64 12  2 ! 67 -64 12
assign (resid  67 and name n ) (resid  67 and name ca ) 
 (resid  67 and name c ) (resid  68 and name n ) 1.0   -42 20  2 ! 67 -42 20
assign (resid  68 and name c ) (resid  69 and name n ) 
 (resid  69 and name ca ) (resid  69 and name c ) 1.0   -87 34  2 ! 69 -87 34
assign (resid  69 and name n ) (resid  69 and name ca ) 
 (resid  69 and name c ) (resid  70 and name n ) 1.0   -8 38  2 ! 69 -8 38
assign (resid  73 and name c ) (resid  74 and name n ) 
 (resid  74 and name ca ) (resid  74 and name c ) 1.0   -60 14  2 ! 74 -60 14
assign (resid  74 and name n ) (resid  74 and name ca ) 
 (resid  74 and name c ) (resid  75 and name n ) 1.0   -35 30  2 ! 74 -35 30
assign (resid  74 and name c ) (resid  75 and name n ) 
 (resid  75 and name ca ) (resid  75 and name c ) 1.0   -65 8  2 ! 75 -65 8
assign (resid  75 and name n ) (resid  75 and name ca ) 
 (resid  75 and name c ) (resid  76 and name n ) 1.0   -45 12  2 ! 75 -45 12
assign (resid  75 and name c ) (resid  76 and name n ) 
 (resid  76 and name ca ) (resid  76 and name c ) 1.0   -60 8  2 ! 76 -60 8
assign (resid  76 and name n ) (resid  76 and name ca ) 
 (resid  76 and name c ) (resid  77 and name n ) 1.0   -41 10  2 ! 76 -41 10
assign (resid  76 and name c ) (resid  77 and name n ) 
 (resid  77 and name ca ) (resid  77 and name c ) 1.0   -63 17  2 ! 77 -63 17
assign (resid  77 and name n ) (resid  77 and name ca ) 
 (resid  77 and name c ) (resid  78 and name n ) 1.0   -38 14  2 ! 77 -38 14
assign (resid  77 and name c ) (resid  78 and name n ) 
 (resid  78 and name ca ) (resid  78 and name c ) 1.0   -65 12  2 ! 78 -65 12
assign (resid  78 and name n ) (resid  78 and name ca ) 
 (resid  78 and name c ) (resid  79 and name n ) 1.0   -36 26  2 ! 78 -36 26
assign (resid  78 and name c ) (resid  79 and name n ) 
 (resid  79 and name ca ) (resid  79 and name c ) 1.0   -100 30  2 ! 79 -100 30
assign (resid  79 and name n ) (resid  79 and name ca ) 
 (resid  79 and name c ) (resid  80 and name n ) 1.0   4 24  2 ! 79 4 24
assign (resid  80 and name c ) (resid  81 and name n ) 
 (resid  81 and name ca ) (resid  81 and name c ) 1.0   -54 12  2 ! 81 -54 12
assign (resid  81 and name n ) (resid  81 and name ca ) 
 (resid  81 and name c ) (resid  82 and name n ) 1.0   -35 22  2 ! 81 -35 22
assign (resid  81 and name c ) (resid  82 and name n ) 
 (resid  82 and name ca ) (resid  82 and name c ) 1.0   -66 28  2 ! 82 -66 28
assign (resid  82 and name n ) (resid  82 and name ca ) 
 (resid  82 and name c ) (resid  83 and name n ) 1.0   -21 32  2 ! 82 -21 32
assign (resid  83 and name c ) (resid  84 and name n ) 
 (resid  84 and name ca ) (resid  84 and name c ) 1.0   -58 10  2 ! 84 -58 10
assign (resid  84 and name n ) (resid  84 and name ca ) 
 (resid  84 and name c ) (resid  85 and name n ) 1.0   -35 18  2 ! 84 -35 18
assign (resid  84 and name c ) (resid  85 and name n ) 
 (resid  85 and name ca ) (resid  85 and name c ) 1.0   -66 14  2 ! 85 -66 14
assign (resid  85 and name n ) (resid  85 and name ca ) 
 (resid  85 and name c ) (resid  86 and name n ) 1.0   -38 24  2 ! 85 -38 24
assign (resid  85 and name c ) (resid  86 and name n ) 
 (resid  86 and name ca ) (resid  86 and name c ) 1.0   -67 16  2 ! 86 -67 16
assign (resid  86 and name n ) (resid  86 and name ca ) 
 (resid  86 and name c ) (resid  87 and name n ) 1.0   -39 14  2 ! 86 -39 14
assign (resid  86 and name c ) (resid  87 and name n ) 
 (resid  87 and name ca ) (resid  87 and name c ) 1.0   -62 12  2 ! 87 -62 12
assign (resid  87 and name n ) (resid  87 and name ca ) 
 (resid  87 and name c ) (resid  88 and name n ) 1.0   -43 12  2 ! 87 -43 12
assign (resid  87 and name c ) (resid  88 and name n ) 
 (resid  88 and name ca ) (resid  88 and name c ) 1.0   -65 14  2 ! 88 -65 14
assign (resid  88 and name n ) (resid  88 and name ca ) 
 (resid  88 and name c ) (resid  89 and name n ) 1.0   -38 12  2 ! 88 -38 12
assign (resid  88 and name c ) (resid  89 and name n ) 
 (resid  89 and name ca ) (resid  89 and name c ) 1.0   -62 10  2 ! 89 -62 10
assign (resid  89 and name n ) (resid  89 and name ca ) 
 (resid  89 and name c ) (resid  90 and name n ) 1.0   -43 4  2 ! 89 -43 4
assign (resid  90 and name c ) (resid  91 and name n ) 
 (resid  91 and name ca ) (resid  91 and name c ) 1.0   -60 10  2 ! 91 -60 10
assign (resid  91 and name n ) (resid  91 and name ca ) 
 (resid  91 and name c ) (resid  92 and name n ) 1.0   -45 10  2 ! 91 -45 10
assign (resid  91 and name c ) (resid  92 and name n ) 
 (resid  92 and name ca ) (resid  92 and name c ) 1.0   -84 46  2 ! 92 -84 46
assign (resid  92 and name n ) (resid  92 and name ca ) 
 (resid  92 and name c ) (resid  93 and name n ) 1.0   -25 26  2 ! 92 -25 26
assign (resid  94 and name c ) (resid  95 and name n ) 
 (resid  95 and name ca ) (resid  95 and name c ) 1.0   -125 28  2 ! 95 -125 28
assign (resid  95 and name n ) (resid  95 and name ca ) 
 (resid  95 and name c ) (resid  96 and name n ) 1.0   131 26  2 ! 95 131 26
assign (resid  95 and name c ) (resid  96 and name n ) 
 (resid  96 and name ca ) (resid  96 and name c ) 1.0   -122 38  2 ! 96 -122 38
assign (resid  96 and name n ) (resid  96 and name ca ) 
 (resid  96 and name c ) (resid  97 and name n ) 1.0   145 30  2 ! 96 145 30
assign (resid  96 and name c ) (resid  97 and name n ) 
 (resid  97 and name ca ) (resid  97 and name c ) 1.0   -79 48  2 ! 97 -79 48
assign (resid  97 and name n ) (resid  97 and name ca ) 
 (resid  97 and name c ) (resid  98 and name n ) 1.0   135 32  2 ! 97 135 32
assign (resid  98 and name c ) (resid  99 and name n ) 
 (resid  99 and name ca ) (resid  99 and name c ) 1.0   -108 40  2 ! 99 -108 40
assign (resid  99 and name n ) (resid  99 and name ca ) 
 (resid  99 and name c ) (resid  100 and name n ) 1.0   121 20  2 ! 99 121 20
assign (resid  99 and name c ) (resid  100 and name n ) 
 (resid  100 and name ca ) (resid  100 and name c ) 1.0   -106 20  2 ! 100 -106 20
assign (resid  100 and name n ) (resid  100 and name ca ) 
 (resid  100 and name c ) (resid  101 and name n ) 1.0   128 22  2 ! 100 128 22
assign (resid  100 and name c ) (resid  101 and name n ) 
 (resid  101 and name ca ) (resid  101 and name c ) 1.0   -85 24  2 ! 101 -85 24
assign (resid  101 and name n ) (resid  101 and name ca ) 
 (resid  101 and name c ) (resid  102 and name n ) 1.0   125 50  2 ! 101 125 50
assign (resid  101 and name c ) (resid  102 and name n ) 
 (resid  102 and name ca ) (resid  102 and name c ) 1.0   -59 14  2 ! 102 -59 14
assign (resid  102 and name n ) (resid  102 and name ca ) 
 (resid  102 and name c ) (resid  103 and name n ) 1.0   -30 14  2 ! 102 -30 14
assign (resid  102 and name c ) (resid  103 and name n ) 
 (resid  103 and name ca ) (resid  103 and name c ) 1.0   -68 14  2 ! 103 -68 14
assign (resid  103 and name n ) (resid  103 and name ca ) 
 (resid  103 and name c ) (resid  104 and name n ) 1.0   -25 28  2 ! 103 -25 28
assign (resid  106 and name c ) (resid  107 and name n ) 
 (resid  107 and name ca ) (resid  107 and name c ) 1.0   -73 56  2 ! 107 -73 56
assign (resid  107 and name n ) (resid  107 and name ca ) 
 (resid  107 and name c ) (resid  108 and name n ) 1.0   131 18  2 ! 107 131 18
assign (resid  109 and name c ) (resid  110 and name n ) 
 (resid  110 and name ca ) (resid  110 and name c ) 1.0   -123 30  2 ! 110 -123 30
assign (resid  110 and name n ) (resid  110 and name ca ) 
 (resid  110 and name c ) (resid  111 and name n ) 1.0   144 26  2 ! 110 144 26
assign (resid  110 and name c ) (resid  111 and name n ) 
 (resid  111 and name ca ) (resid  111 and name c ) 1.0   -136 42  2 ! 111 -136 42
assign (resid  111 and name n ) (resid  111 and name ca ) 
 (resid  111 and name c ) (resid  112 and name n ) 1.0   132 42  2 ! 111 132 42
assign (resid  112 and name c ) (resid  113 and name n ) 
 (resid  113 and name ca ) (resid  113 and name c ) 1.0   -92 30  2 ! 113 -92 30
assign (resid  113 and name n ) (resid  113 and name ca ) 
 (resid  113 and name c ) (resid  114 and name n ) 1.0   164 28  2 ! 113 164 28
assign (resid  117 and name c ) (resid  118 and name n ) 
 (resid  118 and name ca ) (resid  118 and name c ) 1.0   -80 36  2 ! 118 -80 36
assign (resid  118 and name n ) (resid  118 and name ca ) 
 (resid  118 and name c ) (resid  119 and name n ) 1.0   136 28  2 ! 118 136 28
assign (resid  118 and name c ) (resid  119 and name n ) 
 (resid  119 and name ca ) (resid  119 and name c ) 1.0   -121 46  2 ! 119 -121 46
assign (resid  119 and name n ) (resid  119 and name ca ) 
 (resid  119 and name c ) (resid  120 and name n ) 1.0   143 36  2 ! 119 143 36
assign (resid  119 and name c ) (resid  120 and name n ) 
 (resid  120 and name ca ) (resid  120 and name c ) 1.0   -112 26  2 ! 120 -112 26
assign (resid  120 and name n ) (resid  120 and name ca ) 
 (resid  120 and name c ) (resid  121 and name n ) 1.0   123 14  2 ! 120 123 14
assign (resid  120 and name c ) (resid  121 and name n ) 
 (resid  121 and name ca ) (resid  121 and name c ) 1.0   -107 32  2 ! 121 -107 32
assign (resid  121 and name n ) (resid  121 and name ca ) 
 (resid  121 and name c ) (resid  122 and name n ) 1.0   127 20  2 ! 121 127 20
assign (resid  121 and name c ) (resid  122 and name n ) 
 (resid  122 and name ca ) (resid  122 and name c ) 1.0   -131 42  2 ! 122 -131 42
assign (resid  122 and name n ) (resid  122 and name ca ) 
 (resid  122 and name c ) (resid  123 and name n ) 1.0   154 18  2 ! 122 154 18
assign (resid  122 and name c ) (resid  123 and name n ) 
 (resid  123 and name ca ) (resid  123 and name c ) 1.0   -98 58  2 ! 123 -98 58
assign (resid  124 and name n ) (resid  124 and name ca ) 
 (resid  124 and name c ) (resid  125 and name n ) 1.0   133 20  2 ! 124 133 20
assign (resid  127 and name c ) (resid  128 and name n ) 
 (resid  128 and name ca ) (resid  128 and name c ) 1.0   -138 32  2 ! 128 -138 32
assign (resid  128 and name n ) (resid  128 and name ca ) 
 (resid  128 and name c ) (resid  129 and name n ) 1.0   157 22  2 ! 128 157 22
assign (resid  128 and name c ) (resid  129 and name n ) 
 (resid  129 and name ca ) (resid  129 and name c ) 1.0   -134 26  2 ! 129 -134 26
assign (resid  129 and name n ) (resid  129 and name ca ) 
 (resid  129 and name c ) (resid  130 and name n ) 1.0   148 34  2 ! 129 148 34
assign (resid  130 and name c ) (resid  131 and name n ) 
 (resid  131 and name ca ) (resid  131 and name c ) 1.0   83 18  2 ! 131 83 18
assign (resid  131 and name n ) (resid  131 and name ca ) 
 (resid  131 and name c ) (resid  132 and name n ) 1.0   -2 20  2 ! 131 -2 20
assign (resid  131 and name c ) (resid  132 and name n ) 
 (resid  132 and name ca ) (resid  132 and name c ) 1.0   -94 32  2 ! 132 -94 32
assign (resid  132 and name n ) (resid  132 and name ca ) 
 (resid  132 and name c ) (resid  133 and name n ) 1.0   130 34  2 ! 132 130 34
assign (resid  135 and name c ) (resid  136 and name n ) 
 (resid  136 and name ca ) (resid  136 and name c ) 1.0   -123 54  2 ! 136 -123 54
assign (resid  140 and name c ) (resid  141 and name n ) 
 (resid  141 and name ca ) (resid  141 and name c ) 1.0   -129 46  2 ! 141 -129 46
assign (resid  141 and name n ) (resid  141 and name ca ) 
 (resid  141 and name c ) (resid  142 and name n ) 1.0   160 18  2 ! 141 160 18
assign (resid  144 and name c ) (resid  145 and name n ) 
 (resid  145 and name ca ) (resid  145 and name c ) 1.0   -133 34  2 ! 145 -133 34
assign (resid  145 and name n ) (resid  145 and name ca ) 
 (resid  145 and name c ) (resid  146 and name n ) 1.0   141 36  2 ! 145 141 36
assign (resid  145 and name c ) (resid  146 and name n ) 
 (resid  146 and name ca ) (resid  146 and name c ) 1.0   -121 38  2 ! 146 -121 38
assign (resid  146 and name n ) (resid  146 and name ca ) 
 (resid  146 and name c ) (resid  147 and name n ) 1.0   134 18  2 ! 146 134 18
assign (resid  146 and name c ) (resid  147 and name n ) 
 (resid  147 and name ca ) (resid  147 and name c ) 1.0   -112 30  2 ! 147 -112 30
assign (resid  147 and name n ) (resid  147 and name ca ) 
 (resid  147 and name c ) (resid  148 and name n ) 1.0   127 14  2 ! 147 127 14
assign (resid  147 and name c ) (resid  148 and name n ) 
 (resid  148 and name ca ) (resid  148 and name c ) 1.0   -78 28  2 ! 148 -78 28
assign (resid  148 and name n ) (resid  148 and name ca ) 
 (resid  148 and name c ) (resid  149 and name n ) 1.0   128 36  2 ! 148 128 36
assign (resid  148 and name c ) (resid  149 and name n ) 
 (resid  149 and name ca ) (resid  149 and name c ) 1.0   -119 46  2 ! 149 -119 46
assign (resid  149 and name n ) (resid  149 and name ca ) 
 (resid  149 and name c ) (resid  150 and name n ) 1.0   158 38  2 ! 149 158 38
assign (resid  151 and name c ) (resid  152 and name n ) 
 (resid  152 and name ca ) (resid  152 and name c ) 1.0   -102 22  2 ! 152 -102 22
assign (resid  152 and name n ) (resid  152 and name ca ) 
 (resid  152 and name c ) (resid  153 and name n ) 1.0   125 20  2 ! 152 125 20
NOE RESTRAINTS
assign ( resid  22 and name   ha ) ( resid  22 and name   hb )   3.5   1.7   0.0
assign ( resid  22 and name   ha ) ( resid  22 and name hg2+ )   3.5   1.7   0.0
assign ( resid  22 and name   ha ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   hb ) ( resid  22 and name hg2+ )   3.5   1.7   0.0
assign ( resid  22 and name   hb ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name hg2+ ) ( resid  22 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   ha ) ( resid  23 and name   hn )   3.5   1.7   0.0
assign ( resid  22 and name   hb ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name hg2+ ) ( resid  23 and name  ha+ )   5.0   3.2   0.0
assign ( resid  22 and name hg2+ ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  22 and name   hn ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name  ha+ ) ( resid  23 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name  ha+ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name   hn ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  23 and name  ha+ ) ( resid  26 and name   hb )   5.0   3.2   0.0
assign ( resid  23 and name  ha+ ) ( resid  27 and name   ha )   5.0   3.2   0.0
assign ( resid  23 and name  ha+ ) ( resid  27 and name  hb+ )   5.0   3.2   0.0
assign ( resid  23 and name  ha+ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  24 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  25 and name hd1+ )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  26 and name hg++ )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  27 and name   ha )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  27 and name  hb+ )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  27 and name  hg+ )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name   hn ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  24 and name  hb+ ) ( resid  52 and name  hg+ )   3.5   1.7   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name hg1+ )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name   hb )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name hd1+ )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name hg2+ )   3.5   1.7   0.0
assign ( resid  25 and name   ha ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   hb ) ( resid  25 and name hd1+ )   5.0   3.2   0.0
assign ( resid  25 and name   hb ) ( resid  25 and name hg2+ )   5.0   3.2   0.0
assign ( resid  25 and name   hb ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hd1+ ) ( resid  25 and name hg1+ )   5.0   3.2   0.0
assign ( resid  25 and name hd1+ ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hg1+ ) ( resid  25 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hg1+ ) ( resid  25 and name hg2+ )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   hb ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hd1+ ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hg1+ ) ( resid  26 and name hg++ )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  26 and name hg++ )   3.5   1.7   0.0
assign ( resid  25 and name hg2+ ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   hn ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  28 and name   hb )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  28 and name hg2+ )   5.0   3.2   0.0
assign ( resid  25 and name   ha ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hg2+ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name   hb ) ( resid  51 and name  hb+ )   5.0   3.2   0.0
assign ( resid  25 and name hd1+ ) ( resid  51 and name  hb+ )   5.0   3.2   0.0
assign ( resid  25 and name   hn ) ( resid  52 and name   ha )   5.0   3.2   0.0
assign ( resid  25 and name hd1+ ) ( resid  57 and name   ha )   5.0   3.2   0.0
assign ( resid  25 and name hd1+ ) ( resid  57 and name  hb+ )   5.0   3.2   0.0
assign ( resid  25 and name hd1+ ) ( resid  57 and name  hd+ )   5.0   3.2   0.0
assign ( resid  25 and name   hn ) ( resid 141 and name  hb+ )   5.0   3.2   0.0
assign ( resid  25 and name   hn ) ( resid 142 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hd1+ ) ( resid 143 and name hd2+ )   5.0   3.2   0.0
assign ( resid  25 and name   hn ) ( resid 143 and name hd2+ )   5.0   3.2   0.0
assign ( resid  25 and name   hn ) ( resid 143 and name   hn )   5.0   3.2   0.0
assign ( resid  25 and name hd1+ ) ( resid 144 and name  ha+ )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  26 and name   hb )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  26 and name hg++ )   3.5   1.7   0.0
assign ( resid  26 and name   ha ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   hb ) ( resid  26 and name hg++ )   3.5   1.7   0.0
assign ( resid  26 and name   hb ) ( resid  26 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name hg++ ) ( resid  26 and name   hn )   3.5   1.7   0.0
assign ( resid  26 and name   ha ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   hb ) ( resid  27 and name   ha )   5.0   3.2   0.0
assign ( resid  26 and name   hb ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name hg++ ) ( resid  27 and name  hg+ )   5.0   3.2   0.0
assign ( resid  26 and name hg++ ) ( resid  27 and name   ha )   5.0   3.2   0.0
assign ( resid  26 and name hg++ ) ( resid  27 and name  hb+ )   3.5   1.7   0.0
assign ( resid  26 and name hg++ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  27 and name   ha )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  27 and name  hg+ )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name hg++ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  39 and name hd++ )   5.0   3.2   0.0
assign ( resid  26 and name   ha ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid  26 and name hg++ ) ( resid  47 and name  hb+ )   3.5   1.7   0.0
assign ( resid  26 and name hg++ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name hg++ ) ( resid  51 and name  hb+ )   3.5   1.7   0.0
assign ( resid  26 and name   hn ) ( resid  51 and name  hb+ )   5.0   3.2   0.0
assign ( resid  26 and name hg++ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  26 and name hg++ ) ( resid  52 and name   ha )   5.0   3.2   0.0
assign ( resid  26 and name   hn ) ( resid  52 and name   ha )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  27 and name  hb+ )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  27 and name  hg+ )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name  hb+ ) ( resid  27 and name  hg+ )   5.0   3.2   0.0
assign ( resid  27 and name  hb+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name  hg+ ) ( resid  27 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name  hb+ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name  hg+ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name   hn ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  27 and name   ha ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name   hb )   5.0   3.2   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name hg2+ )   3.5   1.7   0.0
assign ( resid  28 and name   ha ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name   hb ) ( resid  28 and name hg2+ )   5.0   3.2   0.0
assign ( resid  28 and name   hb ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name hg2+ ) ( resid  28 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name hg2+ ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name   hn ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  28 and name hg2+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   ha ) ( resid  29 and name  hb+ )   3.5   1.7   0.0
assign ( resid  29 and name   ha ) ( resid  29 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name  hb+ ) ( resid  29 and name   hn )   3.5   1.7   0.0
assign ( resid  29 and name   hn ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   ha ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   ha ) ( resid  32 and name  hb+ )   3.5   1.7   0.0
assign ( resid  29 and name   ha ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   hn ) ( resid  39 and name hd++ )   5.0   3.2   0.0
assign ( resid  29 and name   hn ) ( resid  40 and name   hb )   5.0   3.2   0.0
assign ( resid  29 and name   hn ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   ha ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name  hb+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   hn ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name  hb+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   hn ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   ha ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  29 and name   hn ) ( resid  44 and name  hb+ )   5.0   3.2   0.0
assign ( resid  30 and name   ha ) ( resid  30 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name   hn ) ( resid  31 and name   hn )   5.0   3.2   0.0
assign ( resid  30 and name   hn ) ( resid  32 and name  hb+ )   5.0   3.2   0.0
assign ( resid  30 and name   hn ) ( resid  32 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name   ha ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name  hb+ ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name  hb+ ) ( resid  35 and name  hb+ )   5.0   3.2   0.0
assign ( resid  32 and name  hb+ ) ( resid  35 and name  hd+ )   5.0   3.2   0.0
assign ( resid  32 and name  hb+ ) ( resid  35 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name   hn ) ( resid  35 and name   hn )   5.0   3.2   0.0
assign ( resid  32 and name  hb+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name  ha+ ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name   hn ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  33 and name  ha+ ) ( resid  35 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  34 and name  hb+ )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  34 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name   ha ) ( resid  35 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  35 and name  hd+ )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  35 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid  35 and name  hd+ )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid  35 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name   hn ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  63 and name hg2+ )   5.0   3.2   0.0
assign ( resid  34 and name  hb+ ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  35 and name  he+ )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  35 and name  hb+ )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  35 and name  hd+ )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  35 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  35 and name  hd+ )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  35 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  hd+ ) ( resid  35 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  36 and name   hb )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name   hn ) ( resid  36 and name   ha )   5.0   3.2   0.0
assign ( resid  35 and name   hn ) ( resid  36 and name hg2+ )   5.0   3.2   0.0
assign ( resid  35 and name   hn ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  38 and name  hb+ )   5.0   3.2   0.0
assign ( resid  35 and name  hd+ ) ( resid  38 and name  hb+ )   5.0   3.2   0.0
assign ( resid  35 and name  hd+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  39 and name   hg )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  39 and name hd++ )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid  35 and name  hb+ ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  35 and name  hd+ ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  35 and name  he+ ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  35 and name   ha ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  35 and name   hn ) ( resid  64 and name  hb+ )   5.0   3.2   0.0
assign ( resid  35 and name  he+ ) ( resid 148 and name hg++ )   3.5   1.7   0.0
assign ( resid  35 and name   hz ) ( resid 148 and name hg++ )   3.5   1.7   0.0
assign ( resid  36 and name   ha ) ( resid  36 and name   hb )   3.5   1.7   0.0
assign ( resid  36 and name   ha ) ( resid  36 and name hg2+ )   3.5   1.7   0.0
assign ( resid  36 and name   ha ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name   hb ) ( resid  36 and name hg2+ )   3.5   1.7   0.0
assign ( resid  36 and name   hb ) ( resid  36 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name hg2+ ) ( resid  36 and name   hn )   3.5   1.7   0.0
assign ( resid  36 and name   ha ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name   hb ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name hg2+ ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name   hn ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name   hn ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  36 and name   ha ) ( resid  39 and name  hb+ )   5.0   3.2   0.0
assign ( resid  36 and name   ha ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name   hb )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name hg2+ )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name hg2+ ) ( resid  37 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name hg2+ ) ( resid  38 and name   ha )   5.0   3.2   0.0
assign ( resid  37 and name hg2+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   hn ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   hn ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name   ha ) ( resid  40 and name hg2+ )   3.5   1.7   0.0
assign ( resid  37 and name hg2+ ) ( resid  67 and name   ha )   5.0   3.2   0.0
assign ( resid  37 and name hg2+ ) ( resid  67 and name  hb+ )   5.0   3.2   0.0
assign ( resid  37 and name hg2+ ) ( resid  67 and name  hd+ )   5.0   3.2   0.0
assign ( resid  37 and name hg2+ ) ( resid  67 and name  he+ )   5.0   3.2   0.0
assign ( resid  37 and name hg2+ ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  37 and name hg2+ ) ( resid  67 and name   hz )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name  hb+ )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  38 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  39 and name  hb+ )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  38 and name   hn ) ( resid  41 and name  hb+ )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  67 and name  he+ )   5.0   3.2   0.0
assign ( resid  38 and name   ha ) ( resid  67 and name   hz )   5.0   3.2   0.0
assign ( resid  38 and name  hb+ ) ( resid  67 and name  he+ )   5.0   3.2   0.0
assign ( resid  38 and name   hn ) ( resid  67 and name  he+ )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name  hb+ )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name hd++ )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name   hg )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  39 and name hd++ )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  39 and name   hg )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name hd++ ) ( resid  39 and name   hg )   5.0   3.2   0.0
assign ( resid  39 and name hd++ ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   hg ) ( resid  39 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name  hb+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name hd++ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   hg ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   hn ) ( resid  40 and name   ha )   5.0   3.2   0.0
assign ( resid  39 and name   hn ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   ha ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name hd++ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  39 and name   hg ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid  39 and name   hn ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid  39 and name hd++ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   ha ) ( resid  40 and name   hb )   5.0   3.2   0.0
assign ( resid  40 and name   ha ) ( resid  40 and name hg2+ )   3.5   1.7   0.0
assign ( resid  40 and name   ha ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   hb ) ( resid  40 and name hg2+ )   3.5   1.7   0.0
assign ( resid  40 and name   hb ) ( resid  40 and name   hn )   3.5   1.7   0.0
assign ( resid  40 and name hg2+ ) ( resid  40 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   ha ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid  40 and name   hn ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   ha ) ( resid  43 and name  hb+ )   5.0   3.2   0.0
assign ( resid  40 and name   ha ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  40 and name   ha ) ( resid  44 and name  hb+ )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name  hb+ )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name  hb+ ) ( resid  41 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name  hb+ ) ( resid  42 and name   ha )   5.0   3.2   0.0
assign ( resid  41 and name  hb+ ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   hn ) ( resid  42 and name  hb+ )   5.0   3.2   0.0
assign ( resid  41 and name  hb+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  41 and name   ha ) ( resid  44 and name  hb+ )   5.0   3.2   0.0
assign ( resid  41 and name   hn ) ( resid  84 and name  hb+ )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name  hb+ )   3.5   1.7   0.0
assign ( resid  42 and name   ha ) ( resid  42 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  42 and name   hn )   3.5   1.7   0.0
assign ( resid  42 and name  hb+ ) ( resid  43 and name   ha )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   hn ) ( resid  43 and name  hb+ )   5.0   3.2   0.0
assign ( resid  42 and name   hn ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   hn ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  45 and name  hb+ )   3.5   1.7   0.0
assign ( resid  42 and name   ha ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name   hn ) ( resid  45 and name  hb+ )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  47 and name hd++ )   5.0   3.2   0.0
assign ( resid  42 and name   ha ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  47 and name hd++ )   5.0   3.2   0.0
assign ( resid  42 and name   hn ) ( resid  47 and name hd++ )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  48 and name   ha )   5.0   3.2   0.0
assign ( resid  42 and name  hb+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name  hb+ )   3.5   1.7   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name  hg+ )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  43 and name  hg+ )   3.5   1.7   0.0
assign ( resid  43 and name  hb+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hg+ ) ( resid  43 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hg+ ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   hn ) ( resid  44 and name  hb+ )   5.0   3.2   0.0
assign ( resid  43 and name   hn ) ( resid  44 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name  hb+ ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  47 and name hd++ )   5.0   3.2   0.0
assign ( resid  43 and name   hn ) ( resid  47 and name hd++ )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  48 and name   ha )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  48 and name hg++ )   3.5   1.7   0.0
assign ( resid  43 and name  hb+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  43 and name   ha ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name  hb+ )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  44 and name   hn )   3.5   1.7   0.0
assign ( resid  44 and name  hb+ ) ( resid  44 and name   hn )   3.5   1.7   0.0
assign ( resid  44 and name  hb+ ) ( resid  45 and name   hn )   3.5   1.7   0.0
assign ( resid  44 and name   hn ) ( resid  45 and name  hb+ )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name  hb+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   ha ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  44 and name   hn ) ( resid  48 and name hg++ )   5.0   3.2   0.0
assign ( resid  45 and name   ha ) ( resid  45 and name  hb+ )   3.5   1.7   0.0
assign ( resid  45 and name   ha ) ( resid  45 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  45 and name   hn )   3.5   1.7   0.0
assign ( resid  45 and name   ha ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  46 and name  ha+ )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  46 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  47 and name   ha )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name  hb+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  45 and name   hn ) ( resid  48 and name hg++ )   5.0   3.2   0.0
assign ( resid  46 and name  ha+ ) ( resid  46 and name   hn )   3.5   1.7   0.0
assign ( resid  46 and name  ha+ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name   hn ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  46 and name   hn ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  46 and name   hn ) ( resid  48 and name hg++ )   5.0   3.2   0.0
assign ( resid  46 and name   hn ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name hd++ )   3.5   1.7   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name  hb+ )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name  hb+ ) ( resid  47 and name hd++ )   5.0   3.2   0.0
assign ( resid  47 and name  hb+ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name  hb+ ) ( resid  47 and name   hg )   5.0   3.2   0.0
assign ( resid  47 and name hd++ ) ( resid  47 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name hd++ ) ( resid  47 and name   hg )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name  hb+ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   hn ) ( resid  48 and name   ha )   5.0   3.2   0.0
assign ( resid  47 and name   hn ) ( resid  48 and name   hb )   5.0   3.2   0.0
assign ( resid  47 and name   hn ) ( resid  48 and name hg++ )   5.0   3.2   0.0
assign ( resid  47 and name   hn ) ( resid  48 and name   hn )   3.5   1.7   0.0
assign ( resid  47 and name   hn ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  50 and name   hb )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name hd++ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  47 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  48 and name hg++ )   3.5   1.7   0.0
assign ( resid  48 and name   ha ) ( resid  48 and name   hb )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   hb ) ( resid  48 and name hg++ )   3.5   1.7   0.0
assign ( resid  48 and name   hb ) ( resid  48 and name   hn )   3.5   1.7   0.0
assign ( resid  48 and name hg++ ) ( resid  48 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   hb ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name hg++ ) ( resid  49 and name   ha )   5.0   3.2   0.0
assign ( resid  48 and name hg++ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  49 and name  hb+ )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   hb ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name hg++ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  51 and name  hb+ )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  51 and name hd++ )   5.0   3.2   0.0
assign ( resid  48 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name   hn ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  48 and name hg++ ) ( resid  52 and name  hb+ )   5.0   3.2   0.0
assign ( resid  48 and name hg++ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name  hb+ )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  49 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name  hb+ ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   hn ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   hn ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  52 and name  hb+ )   5.0   3.2   0.0
assign ( resid  49 and name   ha ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  50 and name   hb )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  50 and name hg2+ )   3.5   1.7   0.0
assign ( resid  50 and name   ha ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   hb ) ( resid  50 and name hg2+ )   3.5   1.7   0.0
assign ( resid  50 and name   hb ) ( resid  50 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   hb ) ( resid  51 and name hd++ )   5.0   3.2   0.0
assign ( resid  50 and name   hb ) ( resid  51 and name   hg )   5.0   3.2   0.0
assign ( resid  50 and name   hb ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   hn ) ( resid  51 and name   hg )   5.0   3.2   0.0
assign ( resid  50 and name   hn ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   hb ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  50 and name   ha ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name  hb+ )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name hd++ )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name   hg )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name  hb+ ) ( resid  51 and name hd++ )   5.0   3.2   0.0
assign ( resid  51 and name  hb+ ) ( resid  51 and name   hg )   5.0   3.2   0.0
assign ( resid  51 and name  hb+ ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name hd++ ) ( resid  51 and name   hg )   5.0   3.2   0.0
assign ( resid  51 and name hd++ ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   hg ) ( resid  51 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name hd++ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name hd++ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  57 and name  hd+ )   5.0   3.2   0.0
assign ( resid  51 and name   ha ) ( resid  57 and name  he+ )   5.0   3.2   0.0
assign ( resid  51 and name hd++ ) ( resid  57 and name  hd+ )   5.0   3.2   0.0
assign ( resid  51 and name hd++ ) ( resid  57 and name  hb+ )   5.0   3.2   0.0
assign ( resid  51 and name hd++ ) ( resid  57 and name  he+ )   5.0   3.2   0.0
assign ( resid  51 and name hd++ ) ( resid  95 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name  hb+ )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name  he+ )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name  hb+ ) ( resid  52 and name  he+ )   5.0   3.2   0.0
assign ( resid  52 and name  hb+ ) ( resid  52 and name  hg+ )   5.0   3.2   0.0
assign ( resid  52 and name  hb+ ) ( resid  52 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name  hb+ ) ( resid  53 and name  ha+ )   5.0   3.2   0.0
assign ( resid  52 and name  hb+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   hn ) ( resid  53 and name  ha+ )   5.0   3.2   0.0
assign ( resid  52 and name   hn ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  52 and name   ha ) ( resid 143 and name hd2+ )   5.0   3.2   0.0
assign ( resid  53 and name  ha+ ) ( resid  53 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name  ha+ ) ( resid  54 and name   ha )   5.0   3.2   0.0
assign ( resid  53 and name  ha+ ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid  54 and name   ha )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid  54 and name  hb+ )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name  ha+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid  57 and name  he+ )   5.0   3.2   0.0
assign ( resid  53 and name   hn ) ( resid 143 and name hd2+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  54 and name  hb+ )   3.5   1.7   0.0
assign ( resid  54 and name   ha ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  54 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  55 and name  ha+ )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  54 and name  hb+ ) ( resid  57 and name  he+ )   5.0   3.2   0.0
assign ( resid  54 and name   hn ) ( resid  57 and name  he+ )   5.0   3.2   0.0
assign ( resid  54 and name   ha ) ( resid 143 and name hd2+ )   5.0   3.2   0.0
assign ( resid  55 and name  ha+ ) ( resid  55 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name  ha+ ) ( resid  56 and name  hb+ )   5.0   3.2   0.0
assign ( resid  55 and name  ha+ ) ( resid  56 and name  hd+ )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  56 and name   ha )   5.0   3.2   0.0
assign ( resid  55 and name  ha+ ) ( resid  57 and name  hd+ )   5.0   3.2   0.0
assign ( resid  55 and name  ha+ ) ( resid  57 and name  he+ )   5.0   3.2   0.0
assign ( resid  55 and name  ha+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  57 and name  hd+ )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid  57 and name  he+ )   5.0   3.2   0.0
assign ( resid  55 and name   hn ) ( resid 143 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  56 and name  hg+ )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  56 and name  hd+ )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  56 and name  hg+ )   5.0   3.2   0.0
assign ( resid  56 and name  hd+ ) ( resid  56 and name  hg+ )   5.0   3.2   0.0
assign ( resid  56 and name   ha ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hg+ ) ( resid  98 and name  ha+ )   5.0   3.2   0.0
assign ( resid  56 and name  hg+ ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  99 and name  hb+ )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid  99 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hg+ ) ( resid  99 and name   hn )   5.0   3.2   0.0
assign ( resid  56 and name  hb+ ) ( resid 144 and name  ha+ )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name  hd+ )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name  he+ )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name  hb+ )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name  hb+ ) ( resid  57 and name  he+ )   5.0   3.2   0.0
assign ( resid  57 and name  hb+ ) ( resid  57 and name  hd+ )   5.0   3.2   0.0
assign ( resid  57 and name  hb+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name  hd+ ) ( resid  57 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  58 and name hg2+ )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name  hb+ ) ( resid  58 and name hg2+ )   5.0   3.2   0.0
assign ( resid  57 and name  hb+ ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name  hd+ ) ( resid  58 and name hg2+ )   3.5   1.7   0.0
assign ( resid  57 and name  hd+ ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name  he+ ) ( resid  58 and name hg2+ )   5.0   3.2   0.0
assign ( resid  57 and name   hn ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  97 and name   ha )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  97 and name  hb+ )   5.0   3.2   0.0
assign ( resid  57 and name  hd+ ) ( resid  97 and name   ha )   5.0   3.2   0.0
assign ( resid  57 and name  hd+ ) ( resid  97 and name  hb+ )   5.0   3.2   0.0
assign ( resid  57 and name  he+ ) ( resid  97 and name  hb+ )   5.0   3.2   0.0
assign ( resid  57 and name   ha ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name  hd+ ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name  hd+ ) ( resid 114 and name hg++ )   5.0   3.2   0.0
assign ( resid  57 and name  hd+ ) ( resid 143 and name hd2+ )   5.0   3.2   0.0
assign ( resid  57 and name  he+ ) ( resid 143 and name hd2+ )   5.0   3.2   0.0
assign ( resid  57 and name   hn ) ( resid 144 and name   hn )   5.0   3.2   0.0
assign ( resid  57 and name   hn ) ( resid 144 and name  ha+ )   5.0   3.2   0.0
assign ( resid  57 and name   hn ) ( resid 145 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  58 and name   hb )   3.5   1.7   0.0
assign ( resid  58 and name   ha ) ( resid  58 and name hg2+ )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   hb ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name hg2+ ) ( resid  58 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  59 and name hg++ )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid  59 and name   hn )   3.5   1.7   0.0
assign ( resid  58 and name   hn ) ( resid  59 and name hg++ )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  96 and name hg++ )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  96 and name   hb )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  97 and name   ha )   5.0   3.2   0.0
assign ( resid  58 and name   hn ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  58 and name   ha ) ( resid 145 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   ha ) ( resid  59 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name hg++ ) ( resid  59 and name   hn )   3.5   1.7   0.0
assign ( resid  59 and name   hn ) ( resid  60 and name   ha )   5.0   3.2   0.0
assign ( resid  59 and name   hn ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name hg++ ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   hn ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  59 and name   hn ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name hg++ ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   hn ) ( resid 145 and name   hb )   5.0   3.2   0.0
assign ( resid  59 and name   hn ) ( resid 145 and name   hn )   5.0   3.2   0.0
assign ( resid  59 and name   hn ) ( resid 146 and name   ha )   3.5   1.7   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name  hd+ )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name  he+ )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name  hb+ )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  60 and name  hd+ )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid  60 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name  hb+ ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   hn ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name   hn ) ( resid  94 and name  hb+ )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid  96 and name hg++ )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid  96 and name hg++ )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid  96 and name   hb )   5.0   3.2   0.0
assign ( resid  60 and name   hz ) ( resid  96 and name hg++ )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid 111 and name  hb+ )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid 119 and name hd++ )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid 119 and name hd++ )   5.0   3.2   0.0
assign ( resid  60 and name   hz ) ( resid 119 and name hd++ )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid 129 and name hg++ )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid 129 and name   hb )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid 129 and name hg++ )   5.0   3.2   0.0
assign ( resid  60 and name   hz ) ( resid 129 and name hg++ )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid 134 and name hd1+ )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid 134 and name hg2+ )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid 134 and name hg2+ )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid 134 and name hd1+ )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid 134 and name hg2+ )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid 134 and name hd1+ )   5.0   3.2   0.0
assign ( resid  60 and name   hz ) ( resid 134 and name hd1+ )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid 146 and name   ha )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid 147 and name   ha )   5.0   3.2   0.0
assign ( resid  60 and name   ha ) ( resid 147 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name  hd+ ) ( resid 147 and name   hn )   5.0   3.2   0.0
assign ( resid  60 and name  he+ ) ( resid 154 and name  hg+ )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name  hb+ )   5.0   3.2   0.0
assign ( resid  61 and name   ha ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name  hb+ ) ( resid  61 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name   hn ) ( resid 147 and name   hn )   5.0   3.2   0.0
assign ( resid  61 and name   hn ) ( resid 148 and name   ha )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  62 and name  hb+ )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  62 and name  hd+ )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  62 and name  hg+ )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  62 and name  hd+ )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  62 and name  hg+ )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  63 and name hg2+ )   5.0   3.2   0.0
assign ( resid  62 and name   ha ) ( resid  63 and name   hn )   3.5   1.7   0.0
assign ( resid  62 and name  hb+ ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name  hg+ ) ( resid  63 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  67 and name   ha )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  67 and name  hd+ )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name  hg+ ) ( resid  67 and name  he+ )   5.0   3.2   0.0
assign ( resid  62 and name  hb+ ) ( resid 148 and name hg++ )   3.5   1.7   0.0
assign ( resid  62 and name   ha ) ( resid 149 and name   hn )   5.0   3.2   0.0
assign ( resid  62 and name  hg+ ) ( resid 152 and name hg++ )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  63 and name hg2+ )   5.0   3.2   0.0
assign ( resid  63 and name   ha ) ( resid  63 and name   hn )   3.5   1.7   0.0
assign ( resid  63 and name hg2+ ) ( resid  63 and name   hn )   3.5   1.7   0.0
assign ( resid  63 and name hg2+ ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name hg2+ ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  65 and name  hb+ )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name hg2+ ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  66 and name  hb+ )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid 148 and name   hb )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid 148 and name hg++ )   5.0   3.2   0.0
assign ( resid  63 and name   hn ) ( resid 149 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name  hb+ ) ( resid  64 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name  hb+ ) ( resid  65 and name  hb+ )   5.0   3.2   0.0
assign ( resid  64 and name  hb+ ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  64 and name   hn ) ( resid  65 and name  hb+ )   5.0   3.2   0.0
assign ( resid  64 and name   hn ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name   ha ) ( resid  65 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name  hb+ ) ( resid  65 and name   hn )   3.5   1.7   0.0
assign ( resid  65 and name  hb+ ) ( resid  66 and name   hn )   3.5   1.7   0.0
assign ( resid  65 and name   hn ) ( resid  66 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name   hn ) ( resid  66 and name   ha )   5.0   3.2   0.0
assign ( resid  65 and name   hn ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name   hn ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name  hb+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  65 and name   hn ) ( resid  68 and name  hb+ )   5.0   3.2   0.0
assign ( resid  65 and name  hb+ ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  66 and name  hb+ )   3.5   1.7   0.0
assign ( resid  66 and name   ha ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  66 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name  hb+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   hn ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  66 and name   ha ) ( resid  69 and name  hb+ )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name  hb+ )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name  hd+ )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name  he+ )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  67 and name  hd+ )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name  he+ ) ( resid  67 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  68 and name  hb+ )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  70 and name hd++ )   5.0   3.2   0.0
assign ( resid  67 and name   ha ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  70 and name hd++ )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  70 and name   hg )   5.0   3.2   0.0
assign ( resid  67 and name  hd+ ) ( resid  70 and name hd++ )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name   hn ) ( resid  70 and name hd++ )   5.0   3.2   0.0
assign ( resid  67 and name  hb+ ) ( resid  75 and name hg++ )   5.0   3.2   0.0
assign ( resid  67 and name  hd+ ) ( resid  75 and name   ha )   5.0   3.2   0.0
assign ( resid  67 and name  hd+ ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name  hd+ ) ( resid  79 and name  hb+ )   5.0   3.2   0.0
assign ( resid  67 and name  hd+ ) ( resid  79 and name hd++ )   5.0   3.2   0.0
assign ( resid  67 and name  he+ ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  67 and name  he+ ) ( resid  79 and name   ha )   5.0   3.2   0.0
assign ( resid  67 and name  he+ ) ( resid 152 and name hg++ )   5.0   3.2   0.0
assign ( resid  67 and name   hz ) ( resid 152 and name hg++ )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  68 and name  hb+ )   3.5   1.7   0.0
assign ( resid  68 and name   ha ) ( resid  68 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  68 and name   hn )   3.5   1.7   0.0
assign ( resid  68 and name   ha ) ( resid  69 and name   ha )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name  hb+ ) ( resid  69 and name   hn )   3.5   1.7   0.0
assign ( resid  68 and name   hn ) ( resid  69 and name   ha )   5.0   3.2   0.0
assign ( resid  68 and name   hn ) ( resid  69 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   ha ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  68 and name   hn ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name  hb+ )   3.5   1.7   0.0
assign ( resid  69 and name   ha ) ( resid  69 and name   hn )   3.5   1.7   0.0
assign ( resid  69 and name  hb+ ) ( resid  69 and name   hn )   3.5   1.7   0.0
assign ( resid  69 and name  hb+ ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  69 and name   hn ) ( resid  70 and name hd++ )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  70 and name   hg )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  70 and name  hb+ )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  70 and name hd++ )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name  hb+ ) ( resid  70 and name hd++ )   5.0   3.2   0.0
assign ( resid  70 and name  hb+ ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name  hb+ ) ( resid  70 and name   hg )   5.0   3.2   0.0
assign ( resid  70 and name hd++ ) ( resid  70 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name hd++ ) ( resid  70 and name   hg )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  71 and name   ha )   5.0   3.2   0.0
assign ( resid  70 and name   ha ) ( resid  71 and name  hd+ )   5.0   3.2   0.0
assign ( resid  70 and name  hb+ ) ( resid  71 and name  hd+ )   5.0   3.2   0.0
assign ( resid  70 and name hd++ ) ( resid  71 and name  hd+ )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  71 and name  hd+ )   5.0   3.2   0.0
assign ( resid  70 and name hd++ ) ( resid  74 and name hg2+ )   5.0   3.2   0.0
assign ( resid  70 and name hd++ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid  74 and name hg2+ )   5.0   3.2   0.0
assign ( resid  70 and name hd++ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  70 and name   hg ) ( resid 151 and name  ha+ )   5.0   3.2   0.0
assign ( resid  70 and name hd++ ) ( resid 152 and name   hb )   5.0   3.2   0.0
assign ( resid  70 and name   hn ) ( resid 152 and name hg++ )   5.0   3.2   0.0
assign ( resid  71 and name   ha ) ( resid  71 and name  hb+ )   5.0   3.2   0.0
assign ( resid  71 and name   ha ) ( resid  71 and name  hg+ )   5.0   3.2   0.0
assign ( resid  71 and name  hb+ ) ( resid  71 and name  hd+ )   5.0   3.2   0.0
assign ( resid  71 and name  hb+ ) ( resid  71 and name  hg+ )   5.0   3.2   0.0
assign ( resid  71 and name  hd+ ) ( resid  71 and name  hg+ )   5.0   3.2   0.0
assign ( resid  71 and name   ha ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name  hb+ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  71 and name  hd+ ) ( resid  72 and name  hb+ )   5.0   3.2   0.0
assign ( resid  71 and name  hg+ ) ( resid  72 and name   ha )   5.0   3.2   0.0
assign ( resid  72 and name   ha ) ( resid  72 and name  hb+ )   3.5   1.7   0.0
assign ( resid  72 and name   ha ) ( resid  72 and name  hg+ )   5.0   3.2   0.0
assign ( resid  72 and name  hb+ ) ( resid  72 and name  hg+ )   3.5   1.7   0.0
assign ( resid  72 and name  hb+ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name  hg+ ) ( resid  72 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   ha ) ( resid  73 and name  ha+ )   5.0   3.2   0.0
assign ( resid  72 and name   ha ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name  hb+ ) ( resid  73 and name  ha+ )   5.0   3.2   0.0
assign ( resid  72 and name  hb+ ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name  hg+ ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name   ha ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  72 and name  hb+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name  ha+ ) ( resid  73 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name  ha+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name  ha+ ) ( resid  74 and name   hb )   5.0   3.2   0.0
assign ( resid  73 and name   hn ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name  ha+ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name  ha+ ) ( resid  76 and name   ha )   5.0   3.2   0.0
assign ( resid  73 and name  ha+ ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  73 and name  ha+ ) ( resid  76 and name  hb+ )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name   hb )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name hg2+ )   3.5   1.7   0.0
assign ( resid  74 and name   ha ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   hb ) ( resid  74 and name hg2+ )   3.5   1.7   0.0
assign ( resid  74 and name   hb ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name hg2+ ) ( resid  74 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   hb ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name hg2+ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   hn ) ( resid  75 and name   ha )   5.0   3.2   0.0
assign ( resid  74 and name   hn ) ( resid  75 and name   hb )   5.0   3.2   0.0
assign ( resid  74 and name   hn ) ( resid  75 and name hg++ )   5.0   3.2   0.0
assign ( resid  74 and name   hn ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   hb ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   hn ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  77 and name   ha )   5.0   3.2   0.0
assign ( resid  74 and name   ha ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name hg2+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name   hn ) ( resid  77 and name  hb+ )   5.0   3.2   0.0
assign ( resid  74 and name   hn ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  74 and name hg2+ ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  75 and name   hb )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  75 and name hg++ )   3.5   1.7   0.0
assign ( resid  75 and name   ha ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   hb ) ( resid  75 and name hg++ )   3.5   1.7   0.0
assign ( resid  75 and name   hb ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name hg++ ) ( resid  75 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   hb ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name hg++ ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   hn ) ( resid  76 and name   ha )   5.0   3.2   0.0
assign ( resid  75 and name   hn ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name hg++ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   hn ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  78 and name   ha )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name   ha ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  75 and name hg++ ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  76 and name  hb+ )   3.5   1.7   0.0
assign ( resid  76 and name   ha ) ( resid  76 and name  hg+ )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name  hb+ ) ( resid  76 and name  hg+ )   3.5   1.7   0.0
assign ( resid  76 and name  hb+ ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name  hg+ ) ( resid  76 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name  hb+ ) ( resid  77 and name  hb+ )   5.0   3.2   0.0
assign ( resid  76 and name  hb+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name  hg+ ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name   hn ) ( resid  77 and name  hb+ )   5.0   3.2   0.0
assign ( resid  76 and name   hn ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name   hn ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  79 and name   ha )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  79 and name  hb+ )   5.0   3.2   0.0
assign ( resid  76 and name   ha ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  77 and name  hb+ )   3.5   1.7   0.0
assign ( resid  77 and name   ha ) ( resid  77 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  77 and name   hn )   3.5   1.7   0.0
assign ( resid  77 and name   ha ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  78 and name   ha )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   hn ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   hn ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  80 and name  hb+ )   3.5   1.7   0.0
assign ( resid  77 and name   ha ) ( resid  80 and name  he+ )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  77 and name   ha ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  77 and name  hb+ ) ( resid  83 and name hd2+ )   5.0   3.2   0.0
assign ( resid  78 and name   ha ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  78 and name hd++ )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  78 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name   ha ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name   hn ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name   ha ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name   hn ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  78 and name   hn ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  78 and name   ha ) ( resid  83 and name   ha )   5.0   3.2   0.0
assign ( resid  78 and name   ha ) ( resid  83 and name  hb+ )   5.0   3.2   0.0
assign ( resid  78 and name   ha ) ( resid  83 and name hd2+ )   5.0   3.2   0.0
assign ( resid  78 and name  hb+ ) ( resid  83 and name  hb+ )   5.0   3.2   0.0
assign ( resid  78 and name hd++ ) ( resid  83 and name  hb+ )   5.0   3.2   0.0
assign ( resid  78 and name   hn ) ( resid  83 and name  hb+ )   5.0   3.2   0.0
assign ( resid  79 and name   ha ) ( resid  79 and name  hb+ )   5.0   3.2   0.0
assign ( resid  79 and name   ha ) ( resid  79 and name hd++ )   5.0   3.2   0.0
assign ( resid  79 and name   ha ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name  hb+ ) ( resid  79 and name hd++ )   5.0   3.2   0.0
assign ( resid  79 and name  hb+ ) ( resid  79 and name   hg )   5.0   3.2   0.0
assign ( resid  79 and name  hb+ ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name hd++ ) ( resid  79 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name   ha ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name  hb+ ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name hd++ ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  79 and name   hn ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name  hd+ )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name  hb+ )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  80 and name  he+ )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  80 and name  hd+ )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hd+ ) ( resid  80 and name  he+ )   5.0   3.2   0.0
assign ( resid  80 and name  hd+ ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  80 and name  hd+ ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  he+ ) ( resid  80 and name  hg+ )   5.0   3.2   0.0
assign ( resid  80 and name  he+ ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hg+ ) ( resid  80 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  81 and name  hg+ )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  81 and name  hd+ )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  81 and name  hd+ )   5.0   3.2   0.0
assign ( resid  80 and name  hg+ ) ( resid  81 and name  hd+ )   5.0   3.2   0.0
assign ( resid  80 and name   hn ) ( resid  81 and name  hd+ )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  82 and name  hg+ )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  82 and name  hg+ )   5.0   3.2   0.0
assign ( resid  80 and name   hn ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name   ha ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  80 and name  hb+ ) ( resid  83 and name hd2+ )   5.0   3.2   0.0
assign ( resid  80 and name   hn ) ( resid  83 and name  hb+ )   5.0   3.2   0.0
assign ( resid  80 and name   hn ) ( resid  83 and name hd2+ )   5.0   3.2   0.0
assign ( resid  80 and name   hn ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name   ha ) ( resid  81 and name  hb+ )   3.5   1.7   0.0
assign ( resid  81 and name   ha ) ( resid  81 and name  hd+ )   5.0   3.2   0.0
assign ( resid  81 and name   ha ) ( resid  81 and name  hg+ )   5.0   3.2   0.0
assign ( resid  81 and name  hb+ ) ( resid  81 and name  hd+ )   5.0   3.2   0.0
assign ( resid  81 and name  hb+ ) ( resid  81 and name  hg+ )   5.0   3.2   0.0
assign ( resid  81 and name  hd+ ) ( resid  81 and name  hg+ )   5.0   3.2   0.0
assign ( resid  81 and name   ha ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name  hb+ ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name  hd+ ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name  hd+ ) ( resid  82 and name  hg+ )   5.0   3.2   0.0
assign ( resid  81 and name  hg+ ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name   ha ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  81 and name   ha ) ( resid  84 and name  hb+ )   5.0   3.2   0.0
assign ( resid  81 and name   ha ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name   ha ) ( resid  82 and name  hb+ )   3.5   1.7   0.0
assign ( resid  82 and name   ha ) ( resid  82 and name  hg+ )   5.0   3.2   0.0
assign ( resid  82 and name   ha ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name  hb+ ) ( resid  82 and name  hg+ )   3.5   1.7   0.0
assign ( resid  82 and name  hb+ ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name  hg+ ) ( resid  82 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name   ha ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name  hb+ ) ( resid  83 and name   ha )   5.0   3.2   0.0
assign ( resid  82 and name  hb+ ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name  hg+ ) ( resid  83 and name hd2+ )   5.0   3.2   0.0
assign ( resid  82 and name  hg+ ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name   hn ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name   ha ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  82 and name   hn ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name   ha ) ( resid  83 and name hd2+ )   5.0   3.2   0.0
assign ( resid  83 and name   ha ) ( resid  83 and name  hb+ )   5.0   3.2   0.0
assign ( resid  83 and name   ha ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name  hb+ ) ( resid  83 and name hd2+ )   5.0   3.2   0.0
assign ( resid  83 and name  hb+ ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name hd2+ ) ( resid  83 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name   ha ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name  hb+ ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name hd2+ ) ( resid  84 and name  hd+ )   5.0   3.2   0.0
assign ( resid  83 and name   hn ) ( resid  84 and name  hb+ )   5.0   3.2   0.0
assign ( resid  83 and name   hn ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name   ha ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name   ha ) ( resid  86 and name  hb+ )   5.0   3.2   0.0
assign ( resid  83 and name   ha ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name  hb+ ) ( resid  86 and name  hb+ )   5.0   3.2   0.0
assign ( resid  83 and name  hb+ ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name  hb+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  83 and name hd2+ ) ( resid  87 and name hd++ )   5.0   3.2   0.0
assign ( resid  84 and name   ha ) ( resid  84 and name  hb+ )   5.0   3.2   0.0
assign ( resid  84 and name   ha ) ( resid  84 and name  hd+ )   5.0   3.2   0.0
assign ( resid  84 and name   ha ) ( resid  84 and name  hg+ )   5.0   3.2   0.0
assign ( resid  84 and name   ha ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  84 and name  hb+ ) ( resid  84 and name  hd+ )   3.5   1.7   0.0
assign ( resid  84 and name  hb+ ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  84 and name  hb+ ) ( resid  84 and name  hg+ )   5.0   3.2   0.0
assign ( resid  84 and name  hd+ ) ( resid  84 and name  hg+ )   3.5   1.7   0.0
assign ( resid  84 and name  hd+ ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  84 and name  he+ ) ( resid  84 and name  hg+ )   5.0   3.2   0.0
assign ( resid  84 and name  hg+ ) ( resid  84 and name   hn )   5.0   3.2   0.0
assign ( resid  84 and name  hb+ ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  84 and name  hg+ ) ( resid  85 and name   ha )   5.0   3.2   0.0
assign ( resid  84 and name  hg+ ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  84 and name  hg+ ) ( resid  85 and name  hg+ )   5.0   3.2   0.0
assign ( resid  84 and name   hn ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  84 and name   ha ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name   ha ) ( resid  85 and name  hb+ )   3.5   1.7   0.0
assign ( resid  85 and name   ha ) ( resid  85 and name  hg+ )   3.5   1.7   0.0
assign ( resid  85 and name   ha ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name  hb+ ) ( resid  85 and name  hg+ )   3.5   1.7   0.0
assign ( resid  85 and name  hb+ ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name  hg+ ) ( resid  85 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name   ha ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name  hb+ ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name  hg+ ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name   hn ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name   hn ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name   ha ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name  hb+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  85 and name   ha ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name   ha ) ( resid  86 and name  he+ )   5.0   3.2   0.0
assign ( resid  86 and name   ha ) ( resid  86 and name  hb+ )   5.0   3.2   0.0
assign ( resid  86 and name   ha ) ( resid  86 and name  hd+ )   5.0   3.2   0.0
assign ( resid  86 and name   ha ) ( resid  86 and name  hg+ )   5.0   3.2   0.0
assign ( resid  86 and name   ha ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name  hb+ ) ( resid  86 and name  hd+ )   5.0   3.2   0.0
assign ( resid  86 and name  hb+ ) ( resid  86 and name  he+ )   5.0   3.2   0.0
assign ( resid  86 and name  hb+ ) ( resid  86 and name  hg+ )   5.0   3.2   0.0
assign ( resid  86 and name  hb+ ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name  hd+ ) ( resid  86 and name  he+ )   3.5   1.7   0.0
assign ( resid  86 and name  hd+ ) ( resid  86 and name  hg+ )   3.5   1.7   0.0
assign ( resid  86 and name  hd+ ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name  he+ ) ( resid  86 and name  hg+ )   5.0   3.2   0.0
assign ( resid  86 and name  he+ ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name  hg+ ) ( resid  86 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name   ha ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name  hb+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name  hg+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name   hn ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name  hg+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name   hn ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name   ha ) ( resid  89 and name  hb+ )   5.0   3.2   0.0
assign ( resid  86 and name   ha ) ( resid  89 and name  hg+ )   5.0   3.2   0.0
assign ( resid  86 and name   ha ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name   hn ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  86 and name  hg+ ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  87 and name  hb+ )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  87 and name hd++ )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  87 and name   hg )   5.0   3.2   0.0
assign ( resid  87 and name  hb+ ) ( resid  87 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name  hb+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name hd++ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name   hn ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  90 and name   hb )   5.0   3.2   0.0
assign ( resid  87 and name   ha ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name   ha ) ( resid  88 and name   hb )   5.0   3.2   0.0
assign ( resid  88 and name   ha ) ( resid  88 and name hg2+ )   3.5   1.7   0.0
assign ( resid  88 and name   ha ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name hg2+ ) ( resid  88 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name   ha ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name   hb ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name hg2+ ) ( resid  89 and name  hg+ )   5.0   3.2   0.0
assign ( resid  88 and name hg2+ ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name   hn ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  88 and name   hn ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  89 and name  hb+ )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  89 and name  hg+ )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name  hb+ ) ( resid  89 and name  hg+ )   5.0   3.2   0.0
assign ( resid  89 and name  hb+ ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name  hg+ ) ( resid  89 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name   ha ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name  hb+ ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name   hn ) ( resid  90 and name hd1+ )   5.0   3.2   0.0
assign ( resid  89 and name   hn ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name   hn ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  89 and name  hg+ ) ( resid 155 and name  hg+ )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  90 and name   hb )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  90 and name hd1+ )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  90 and name hg1+ )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   hb ) ( resid  90 and name hd1+ )   3.5   1.7   0.0
assign ( resid  90 and name   hb ) ( resid  90 and name hg1+ )   3.5   1.7   0.0
assign ( resid  90 and name   hb ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name hd1+ ) ( resid  90 and name hg1+ )   5.0   3.2   0.0
assign ( resid  90 and name hd1+ ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name hg1+ ) ( resid  90 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   hb ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name hd1+ ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   hn ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   hn ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  90 and name   ha ) ( resid  93 and name  hb+ )   5.0   3.2   0.0
assign ( resid  90 and name hg2+ ) ( resid  93 and name  hb+ )   5.0   3.2   0.0
assign ( resid  90 and name hg1+ ) ( resid 154 and name   ha )   5.0   3.2   0.0
assign ( resid  90 and name hd1+ ) ( resid 155 and name  hd+ )   5.0   3.2   0.0
assign ( resid  90 and name hg1+ ) ( resid 155 and name  hd+ )   5.0   3.2   0.0
assign ( resid  91 and name   ha ) ( resid  91 and name  hb+ )   5.0   3.2   0.0
assign ( resid  91 and name   ha ) ( resid  91 and name hd++ )   3.5   1.7   0.0
assign ( resid  91 and name   ha ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name  hb+ ) ( resid  91 and name hd++ )   5.0   3.2   0.0
assign ( resid  91 and name  hb+ ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name hd++ ) ( resid  91 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name   ha ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name  hb+ ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name   hn ) ( resid  92 and name hg2+ )   5.0   3.2   0.0
assign ( resid  91 and name   hn ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name   hg ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name   hn ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  91 and name   ha ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name   ha ) ( resid  92 and name   hb )   5.0   3.2   0.0
assign ( resid  92 and name   ha ) ( resid  92 and name hg2+ )   3.5   1.7   0.0
assign ( resid  92 and name   ha ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name   hb ) ( resid  92 and name hg2+ )   3.5   1.7   0.0
assign ( resid  92 and name   hb ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name hg2+ ) ( resid  92 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name   ha ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name hg2+ ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name   hn ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name   ha ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name   hn ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name   ha ) ( resid  95 and name   hb )   5.0   3.2   0.0
assign ( resid  92 and name   ha ) ( resid  95 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name   ha ) ( resid 114 and name   hb )   5.0   3.2   0.0
assign ( resid  92 and name   hb ) ( resid 114 and name   hb )   5.0   3.2   0.0
assign ( resid  92 and name   hb ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name   hb ) ( resid 114 and name hg++ )   5.0   3.2   0.0
assign ( resid  92 and name hg2+ ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name hg2+ ) ( resid 114 and name   hb )   5.0   3.2   0.0
assign ( resid  92 and name hg2+ ) ( resid 114 and name hg++ )   3.5   1.7   0.0
assign ( resid  92 and name   hn ) ( resid 114 and name hg++ )   5.0   3.2   0.0
assign ( resid  92 and name   ha ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name   hb ) ( resid 115 and name   ha )   5.0   3.2   0.0
assign ( resid  92 and name   hb ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid  92 and name hg2+ ) ( resid 115 and name   ha )   5.0   3.2   0.0
assign ( resid  92 and name hg2+ ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  hb+ ) ( resid  93 and name  he+ )   5.0   3.2   0.0
assign ( resid  93 and name  hb+ ) ( resid  93 and name  hd+ )   5.0   3.2   0.0
assign ( resid  93 and name  hb+ ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  hd+ ) ( resid  93 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name   hn ) ( resid  95 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  hd+ ) ( resid 113 and name hg2+ )   5.0   3.2   0.0
assign ( resid  93 and name  he+ ) ( resid 113 and name hg2+ )   5.0   3.2   0.0
assign ( resid  93 and name   hn ) ( resid 113 and name   hb )   5.0   3.2   0.0
assign ( resid  93 and name   hn ) ( resid 113 and name hg2+ )   5.0   3.2   0.0
assign ( resid  93 and name  hd+ ) ( resid 115 and name  hb+ )   5.0   3.2   0.0
assign ( resid  93 and name  hd+ ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name   hn ) ( resid 115 and name  hb+ )   5.0   3.2   0.0
assign ( resid  93 and name   hn ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  hb+ ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  hd+ ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  hd+ ) ( resid 117 and name  ha+ )   5.0   3.2   0.0
assign ( resid  93 and name  hd+ ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  he+ ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  he+ ) ( resid 117 and name  ha+ )   5.0   3.2   0.0
assign ( resid  93 and name  he+ ) ( resid 118 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  he+ ) ( resid 119 and name hd++ )   5.0   3.2   0.0
assign ( resid  93 and name  he+ ) ( resid 130 and name hd2+ )   5.0   3.2   0.0
assign ( resid  93 and name  hd+ ) ( resid 153 and name  hb+ )   5.0   3.2   0.0
assign ( resid  93 and name  he+ ) ( resid 153 and name  hb+ )   5.0   3.2   0.0
assign ( resid  93 and name  he+ ) ( resid 153 and name hd++ )   5.0   3.2   0.0
assign ( resid  93 and name  hd+ ) ( resid 154 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  he+ ) ( resid 154 and name   hn )   5.0   3.2   0.0
assign ( resid  93 and name  hb+ ) ( resid 155 and name  hb+ )   5.0   3.2   0.0
assign ( resid  93 and name  hb+ ) ( resid 155 and name  hg+ )   5.0   3.2   0.0
assign ( resid  93 and name  hb+ ) ( resid 155 and name  hd+ )   5.0   3.2   0.0
assign ( resid  93 and name  hd+ ) ( resid 155 and name  hb+ )   5.0   3.2   0.0
assign ( resid  93 and name  hd+ ) ( resid 155 and name  hd+ )   5.0   3.2   0.0
assign ( resid  93 and name  hd+ ) ( resid 155 and name  hg+ )   5.0   3.2   0.0
assign ( resid  94 and name   ha ) ( resid  94 and name  hb+ )   5.0   3.2   0.0
assign ( resid  94 and name   ha ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  94 and name  hb+ ) ( resid  94 and name  hd1 )   5.0   3.2   0.0
assign ( resid  94 and name  hb+ ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  94 and name  hd1 ) ( resid  94 and name   hn )   5.0   3.2   0.0
assign ( resid  94 and name   ha ) ( resid  95 and name   hn )   5.0   3.2   0.0
assign ( resid  94 and name  hb+ ) ( resid  95 and name   hn )   5.0   3.2   0.0
assign ( resid  94 and name   hn ) ( resid  95 and name   hb )   5.0   3.2   0.0
assign ( resid  94 and name   hn ) ( resid  95 and name   hn )   5.0   3.2   0.0
assign ( resid  94 and name   hn ) ( resid  96 and name hg++ )   5.0   3.2   0.0
assign ( resid  94 and name   hn ) ( resid 113 and name hg2+ )   5.0   3.2   0.0
assign ( resid  94 and name   ha ) ( resid 153 and name hd++ )   5.0   3.2   0.0
assign ( resid  95 and name   ha ) ( resid  95 and name   hn )   5.0   3.2   0.0
assign ( resid  95 and name   hb ) ( resid  95 and name hg++ )   5.0   3.2   0.0
assign ( resid  95 and name   hb ) ( resid  95 and name   hn )   5.0   3.2   0.0
assign ( resid  95 and name hg++ ) ( resid  95 and name   hn )   5.0   3.2   0.0
assign ( resid  95 and name   hb ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  95 and name hg++ ) ( resid  96 and name   ha )   5.0   3.2   0.0
assign ( resid  95 and name hg++ ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  95 and name   hn ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  95 and name   hn ) ( resid 113 and name   hb )   5.0   3.2   0.0
assign ( resid  95 and name   hb ) ( resid 114 and name hg++ )   5.0   3.2   0.0
assign ( resid  95 and name   hb ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid  95 and name hg++ ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid  95 and name   hn ) ( resid 114 and name   hb )   5.0   3.2   0.0
assign ( resid  95 and name   hn ) ( resid 114 and name hg++ )   5.0   3.2   0.0
assign ( resid  95 and name   hn ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid  95 and name   hb ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid  96 and name   ha ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  96 and name   hb ) ( resid  96 and name hg++ )   5.0   3.2   0.0
assign ( resid  96 and name   hb ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  96 and name hg++ ) ( resid  96 and name   hn )   5.0   3.2   0.0
assign ( resid  96 and name hg++ ) ( resid  97 and name  hd+ )   5.0   3.2   0.0
assign ( resid  96 and name hg++ ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  96 and name hg++ ) ( resid 112 and name   hn )   5.0   3.2   0.0
assign ( resid  96 and name hg++ ) ( resid 113 and name   ha )   5.0   3.2   0.0
assign ( resid  96 and name hg++ ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid  97 and name   ha ) ( resid  97 and name  hb+ )   5.0   3.2   0.0
assign ( resid  97 and name  hb+ ) ( resid  97 and name  hd+ )   5.0   3.2   0.0
assign ( resid  97 and name  hb+ ) ( resid  97 and name  hg+ )   5.0   3.2   0.0
assign ( resid  97 and name  hd+ ) ( resid  97 and name  hg+ )   5.0   3.2   0.0
assign ( resid  97 and name   ha ) ( resid  98 and name  ha+ )   5.0   3.2   0.0
assign ( resid  97 and name   ha ) ( resid  98 and name   hn )   3.5   1.7   0.0
assign ( resid  97 and name  hb+ ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  97 and name  hd+ ) ( resid 113 and name   ha )   5.0   3.2   0.0
assign ( resid  97 and name  hb+ ) ( resid 114 and name hg++ )   5.0   3.2   0.0
assign ( resid  97 and name  hd+ ) ( resid 114 and name hg++ )   5.0   3.2   0.0
assign ( resid  97 and name  hg+ ) ( resid 114 and name   ha )   5.0   3.2   0.0
assign ( resid  98 and name  ha+ ) ( resid  98 and name   hn )   5.0   3.2   0.0
assign ( resid  98 and name  ha+ ) ( resid  99 and name   hn )   5.0   3.2   0.0
assign ( resid  98 and name   hn ) ( resid  99 and name   hn )   5.0   3.2   0.0
assign ( resid  99 and name   ha ) ( resid  99 and name  hb+ )   5.0   3.2   0.0
assign ( resid  99 and name   ha ) ( resid  99 and name  hg+ )   5.0   3.2   0.0
assign ( resid  99 and name   ha ) ( resid  99 and name   hn )   5.0   3.2   0.0
assign ( resid  99 and name  hb+ ) ( resid  99 and name  hg+ )   3.5   1.7   0.0
assign ( resid  99 and name  hb+ ) ( resid  99 and name   hn )   5.0   3.2   0.0
assign ( resid  99 and name  hg+ ) ( resid  99 and name   hn )   5.0   3.2   0.0
assign ( resid  99 and name   ha ) ( resid 100 and name   hn )   5.0   3.2   0.0
assign ( resid  99 and name  hb+ ) ( resid 100 and name   hn )   5.0   3.2   0.0
assign ( resid  99 and name  hg+ ) ( resid 100 and name   hn )   5.0   3.2   0.0
assign ( resid  99 and name   hn ) ( resid 100 and name   hn )   5.0   3.2   0.0
assign ( resid 100 and name   ha ) ( resid 100 and name hg++ )   3.5   1.7   0.0
assign ( resid 100 and name   ha ) ( resid 100 and name   hn )   5.0   3.2   0.0
assign ( resid 100 and name   hb ) ( resid 100 and name hg++ )   5.0   3.2   0.0
assign ( resid 100 and name   hb ) ( resid 100 and name   hn )   5.0   3.2   0.0
assign ( resid 100 and name hg++ ) ( resid 100 and name   hn )   5.0   3.2   0.0
assign ( resid 100 and name   hb ) ( resid 101 and name   hn )   5.0   3.2   0.0
assign ( resid 100 and name hg++ ) ( resid 101 and name   hn )   5.0   3.2   0.0
assign ( resid 100 and name   hn ) ( resid 101 and name   hn )   5.0   3.2   0.0
assign ( resid 100 and name hg++ ) ( resid 102 and name   hn )   5.0   3.2   0.0
assign ( resid 100 and name hg++ ) ( resid 104 and name  hb+ )   3.5   1.7   0.0
assign ( resid 100 and name hg++ ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid 100 and name hg++ ) ( resid 105 and name   hn )   5.0   3.2   0.0
assign ( resid 101 and name   ha ) ( resid 101 and name  hb+ )   5.0   3.2   0.0
assign ( resid 101 and name   ha ) ( resid 101 and name  hg+ )   5.0   3.2   0.0
assign ( resid 101 and name   ha ) ( resid 101 and name   hn )   5.0   3.2   0.0
assign ( resid 101 and name  hb+ ) ( resid 101 and name  hg+ )   5.0   3.2   0.0
assign ( resid 101 and name  hb+ ) ( resid 101 and name   hn )   5.0   3.2   0.0
assign ( resid 101 and name  hb+ ) ( resid 101 and name  he+ )   5.0   3.2   0.0
assign ( resid 101 and name  he+ ) ( resid 101 and name  hg+ )   5.0   3.2   0.0
assign ( resid 101 and name  hg+ ) ( resid 101 and name   hn )   5.0   3.2   0.0
assign ( resid 101 and name   ha ) ( resid 102 and name   hn )   5.0   3.2   0.0
assign ( resid 101 and name  hg+ ) ( resid 102 and name   hn )   5.0   3.2   0.0
assign ( resid 101 and name  hg+ ) ( resid 102 and name  hb+ )   5.0   3.2   0.0
assign ( resid 101 and name   hn ) ( resid 102 and name   hn )   5.0   3.2   0.0
assign ( resid 101 and name  hg+ ) ( resid 103 and name   ha )   5.0   3.2   0.0
assign ( resid 101 and name  hg+ ) ( resid 103 and name   hn )   5.0   3.2   0.0
assign ( resid 101 and name   ha ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid 101 and name  hg+ ) ( resid 104 and name  hb+ )   5.0   3.2   0.0
assign ( resid 101 and name  hg+ ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid 101 and name   hn ) ( resid 104 and name  hb+ )   5.0   3.2   0.0
assign ( resid 101 and name   hn ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid 101 and name  he+ ) ( resid 109 and name  he+ )   3.5   1.7   0.0
assign ( resid 101 and name  he+ ) ( resid 122 and name   hn )   5.0   3.2   0.0
assign ( resid 101 and name  he+ ) ( resid 123 and name   hn )   5.0   3.2   0.0
assign ( resid 102 and name  hb+ ) ( resid 102 and name   hn )   5.0   3.2   0.0
assign ( resid 102 and name  hb+ ) ( resid 103 and name   hn )   5.0   3.2   0.0
assign ( resid 102 and name   hn ) ( resid 103 and name   hn )   5.0   3.2   0.0
assign ( resid 102 and name   hn ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid 102 and name  hb+ ) ( resid 105 and name hd++ )   5.0   3.2   0.0
assign ( resid 102 and name  hb+ ) ( resid 109 and name  hb+ )   5.0   3.2   0.0
assign ( resid 103 and name   ha ) ( resid 103 and name  hb+ )   3.5   1.7   0.0
assign ( resid 103 and name   ha ) ( resid 103 and name   hn )   5.0   3.2   0.0
assign ( resid 103 and name  hb+ ) ( resid 103 and name   hn )   5.0   3.2   0.0
assign ( resid 103 and name   ha ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid 103 and name  hb+ ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid 103 and name   hn ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid 103 and name   ha ) ( resid 105 and name   hn )   5.0   3.2   0.0
assign ( resid 103 and name   hn ) ( resid 105 and name   hn )   5.0   3.2   0.0
assign ( resid 104 and name   ha ) ( resid 104 and name  hb+ )   5.0   3.2   0.0
assign ( resid 104 and name   ha ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid 104 and name  hb+ ) ( resid 104 and name   hn )   5.0   3.2   0.0
assign ( resid 104 and name   ha ) ( resid 105 and name   hn )   5.0   3.2   0.0
assign ( resid 104 and name  hb+ ) ( resid 105 and name   hn )   5.0   3.2   0.0
assign ( resid 104 and name  hb+ ) ( resid 105 and name   ha )   5.0   3.2   0.0
assign ( resid 104 and name   hn ) ( resid 105 and name hd++ )   5.0   3.2   0.0
assign ( resid 104 and name   hn ) ( resid 105 and name   hn )   3.5   1.7   0.0
assign ( resid 104 and name  hb+ ) ( resid 109 and name  he+ )   5.0   3.2   0.0
assign ( resid 104 and name   hn ) ( resid 139 and name hg++ )   5.0   3.2   0.0
assign ( resid 105 and name   ha ) ( resid 105 and name  hb+ )   5.0   3.2   0.0
assign ( resid 105 and name   ha ) ( resid 105 and name hd++ )   5.0   3.2   0.0
assign ( resid 105 and name   ha ) ( resid 105 and name   hn )   5.0   3.2   0.0
assign ( resid 105 and name  hb+ ) ( resid 105 and name hd++ )   5.0   3.2   0.0
assign ( resid 105 and name  hb+ ) ( resid 105 and name   hg )   5.0   3.2   0.0
assign ( resid 105 and name  hb+ ) ( resid 105 and name   hn )   5.0   3.2   0.0
assign ( resid 105 and name hd++ ) ( resid 105 and name   hg )   3.5   1.7   0.0
assign ( resid 105 and name hd++ ) ( resid 105 and name   hn )   5.0   3.2   0.0
assign ( resid 105 and name   hg ) ( resid 105 and name   hn )   3.5   1.7   0.0
assign ( resid 105 and name   ha ) ( resid 106 and name   hn )   3.5   1.7   0.0
assign ( resid 105 and name  hb+ ) ( resid 106 and name   hn )   5.0   3.2   0.0
assign ( resid 105 and name hd++ ) ( resid 106 and name   ha )   5.0   3.2   0.0
assign ( resid 105 and name hd++ ) ( resid 106 and name   hn )   5.0   3.2   0.0
assign ( resid 105 and name   hg ) ( resid 106 and name   ha )   5.0   3.2   0.0
assign ( resid 105 and name   hn ) ( resid 106 and name   ha )   5.0   3.2   0.0
assign ( resid 105 and name   hn ) ( resid 106 and name   hn )   5.0   3.2   0.0
assign ( resid 106 and name   ha ) ( resid 106 and name   hb )   3.5   1.7   0.0
assign ( resid 106 and name   ha ) ( resid 106 and name hg2+ )   3.5   1.7   0.0
assign ( resid 106 and name   ha ) ( resid 106 and name   hn )   5.0   3.2   0.0
assign ( resid 106 and name   hb ) ( resid 106 and name hg2+ )   3.5   1.7   0.0
assign ( resid 106 and name   hb ) ( resid 106 and name   hn )   5.0   3.2   0.0
assign ( resid 106 and name   ha ) ( resid 107 and name   ha )   5.0   3.2   0.0
assign ( resid 106 and name   ha ) ( resid 107 and name  hb+ )   5.0   3.2   0.0
assign ( resid 106 and name   ha ) ( resid 107 and name   hn )   3.5   1.7   0.0
assign ( resid 106 and name   hb ) ( resid 107 and name   hn )   5.0   3.2   0.0
assign ( resid 106 and name hg2+ ) ( resid 107 and name   hn )   5.0   3.2   0.0
assign ( resid 106 and name   hn ) ( resid 107 and name   hn )   5.0   3.2   0.0
assign ( resid 106 and name   hn ) ( resid 109 and name  hg+ )   5.0   3.2   0.0
assign ( resid 106 and name   hn ) ( resid 109 and name  hb+ )   5.0   3.2   0.0
assign ( resid 106 and name   ha ) ( resid 123 and name hd++ )   5.0   3.2   0.0
assign ( resid 107 and name   ha ) ( resid 107 and name  hb+ )   5.0   3.2   0.0
assign ( resid 107 and name   ha ) ( resid 107 and name  hg+ )   5.0   3.2   0.0
assign ( resid 107 and name   ha ) ( resid 107 and name   hn )   5.0   3.2   0.0
assign ( resid 107 and name  hb+ ) ( resid 107 and name  hg+ )   5.0   3.2   0.0
assign ( resid 107 and name  hb+ ) ( resid 107 and name   hn )   5.0   3.2   0.0
assign ( resid 107 and name  hg+ ) ( resid 107 and name   hn )   5.0   3.2   0.0
assign ( resid 107 and name   ha ) ( resid 108 and name   hn )   3.5   1.7   0.0
assign ( resid 107 and name   hn ) ( resid 108 and name   hn )   5.0   3.2   0.0
assign ( resid 107 and name   ha ) ( resid 109 and name   hn )   5.0   3.2   0.0
assign ( resid 108 and name  ha+ ) ( resid 108 and name   hn )   5.0   3.2   0.0
assign ( resid 108 and name  ha+ ) ( resid 122 and name   ha )   5.0   3.2   0.0
assign ( resid 109 and name   ha ) ( resid 109 and name  hb+ )   5.0   3.2   0.0
assign ( resid 109 and name   ha ) ( resid 109 and name  hg+ )   5.0   3.2   0.0
assign ( resid 109 and name  hb+ ) ( resid 109 and name  hg+ )   5.0   3.2   0.0
assign ( resid 109 and name  he+ ) ( resid 109 and name  hg+ )   5.0   3.2   0.0
assign ( resid 109 and name   ha ) ( resid 110 and name hg2+ )   5.0   3.2   0.0
assign ( resid 109 and name   ha ) ( resid 110 and name   hn )   3.5   1.7   0.0
assign ( resid 109 and name  hb+ ) ( resid 110 and name hg2+ )   5.0   3.2   0.0
assign ( resid 109 and name  hb+ ) ( resid 110 and name   hn )   5.0   3.2   0.0
assign ( resid 109 and name  he+ ) ( resid 110 and name   ha )   5.0   3.2   0.0
assign ( resid 109 and name  he+ ) ( resid 110 and name   hn )   5.0   3.2   0.0
assign ( resid 109 and name  hg+ ) ( resid 110 and name   ha )   5.0   3.2   0.0
assign ( resid 109 and name  hg+ ) ( resid 110 and name hg2+ )   5.0   3.2   0.0
assign ( resid 109 and name  hg+ ) ( resid 110 and name   hn )   5.0   3.2   0.0
assign ( resid 109 and name   hn ) ( resid 110 and name   hn )   5.0   3.2   0.0
assign ( resid 109 and name  he+ ) ( resid 111 and name  hb+ )   3.5   1.7   0.0
assign ( resid 109 and name  he+ ) ( resid 112 and name   hn )   5.0   3.2   0.0
assign ( resid 109 and name   ha ) ( resid 121 and name   hb )   5.0   3.2   0.0
assign ( resid 109 and name  hb+ ) ( resid 121 and name   hb )   5.0   3.2   0.0
assign ( resid 109 and name  hb+ ) ( resid 121 and name hg++ )   5.0   3.2   0.0
assign ( resid 109 and name  hg+ ) ( resid 121 and name   hb )   5.0   3.2   0.0
assign ( resid 109 and name  hg+ ) ( resid 121 and name hg++ )   5.0   3.2   0.0
assign ( resid 109 and name  hg+ ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid 109 and name   hn ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid 110 and name   ha ) ( resid 110 and name   hb )   5.0   3.2   0.0
assign ( resid 110 and name   ha ) ( resid 110 and name hg2+ )   5.0   3.2   0.0
assign ( resid 110 and name   ha ) ( resid 110 and name   hn )   5.0   3.2   0.0
assign ( resid 110 and name   hb ) ( resid 110 and name hg2+ )   5.0   3.2   0.0
assign ( resid 110 and name   hb ) ( resid 110 and name   hn )   5.0   3.2   0.0
assign ( resid 110 and name hg2+ ) ( resid 110 and name   hn )   5.0   3.2   0.0
assign ( resid 110 and name   ha ) ( resid 111 and name  hb+ )   3.5   1.7   0.0
assign ( resid 110 and name   ha ) ( resid 111 and name   hn )   3.5   1.7   0.0
assign ( resid 110 and name   hb ) ( resid 111 and name   hn )   3.5   1.7   0.0
assign ( resid 110 and name   hn ) ( resid 111 and name   hn )   5.0   3.2   0.0
assign ( resid 110 and name   ha ) ( resid 118 and name  hb+ )   5.0   3.2   0.0
assign ( resid 110 and name   hb ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 110 and name   ha ) ( resid 120 and name hg2+ )   5.0   3.2   0.0
assign ( resid 110 and name   ha ) ( resid 120 and name   ha )   5.0   3.2   0.0
assign ( resid 110 and name   ha ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid 111 and name  hb+ ) ( resid 111 and name   hn )   3.5   1.7   0.0
assign ( resid 111 and name  hb+ ) ( resid 112 and name   ha )   5.0   3.2   0.0
assign ( resid 111 and name  hb+ ) ( resid 112 and name   hn )   3.5   1.7   0.0
assign ( resid 111 and name   hn ) ( resid 118 and name  hb+ )   5.0   3.2   0.0
assign ( resid 111 and name  hb+ ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 111 and name   hn ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 111 and name   hn ) ( resid 120 and name   ha )   5.0   3.2   0.0
assign ( resid 112 and name   ha ) ( resid 112 and name  hb+ )   5.0   3.2   0.0
assign ( resid 112 and name   ha ) ( resid 112 and name  hg+ )   5.0   3.2   0.0
assign ( resid 112 and name   ha ) ( resid 112 and name   hn )   5.0   3.2   0.0
assign ( resid 112 and name  hb+ ) ( resid 112 and name  hg+ )   3.5   1.7   0.0
assign ( resid 112 and name  hb+ ) ( resid 112 and name   hn )   3.5   1.7   0.0
assign ( resid 112 and name  hg+ ) ( resid 112 and name   hn )   5.0   3.2   0.0
assign ( resid 112 and name   ha ) ( resid 113 and name   hn )   3.5   1.7   0.0
assign ( resid 112 and name  hb+ ) ( resid 113 and name   hn )   5.0   3.2   0.0
assign ( resid 112 and name  hg+ ) ( resid 113 and name   hn )   5.0   3.2   0.0
assign ( resid 112 and name   hn ) ( resid 113 and name   hn )   5.0   3.2   0.0
assign ( resid 112 and name  hg+ ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 112 and name  hg+ ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid 112 and name   ha ) ( resid 118 and name   ha )   5.0   3.2   0.0
assign ( resid 112 and name   ha ) ( resid 118 and name  hb+ )   5.0   3.2   0.0
assign ( resid 112 and name  hb+ ) ( resid 118 and name   ha )   5.0   3.2   0.0
assign ( resid 112 and name  hb+ ) ( resid 118 and name  hb+ )   5.0   3.2   0.0
assign ( resid 112 and name  hg+ ) ( resid 118 and name   ha )   5.0   3.2   0.0
assign ( resid 112 and name  hg+ ) ( resid 118 and name  hb+ )   5.0   3.2   0.0
assign ( resid 112 and name   hn ) ( resid 118 and name  hb+ )   5.0   3.2   0.0
assign ( resid 112 and name   ha ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name   ha ) ( resid 113 and name   hb )   5.0   3.2   0.0
assign ( resid 113 and name   ha ) ( resid 113 and name hg2+ )   3.5   1.7   0.0
assign ( resid 113 and name   ha ) ( resid 113 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name   hb ) ( resid 113 and name hg2+ )   5.0   3.2   0.0
assign ( resid 113 and name   hb ) ( resid 113 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name hg2+ ) ( resid 113 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name   ha ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name   hb ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name   hn ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name   hb ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name hg2+ ) ( resid 115 and name  hb+ )   5.0   3.2   0.0
assign ( resid 113 and name   hb ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name hg2+ ) ( resid 116 and name  ha+ )   5.0   3.2   0.0
assign ( resid 113 and name hg2+ ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name   hn ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name hg2+ ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name   hn ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name hg2+ ) ( resid 118 and name   ha )   5.0   3.2   0.0
assign ( resid 113 and name hg2+ ) ( resid 118 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name   hn ) ( resid 118 and name   ha )   5.0   3.2   0.0
assign ( resid 113 and name   hn ) ( resid 118 and name  hb+ )   5.0   3.2   0.0
assign ( resid 113 and name   hn ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 113 and name hg2+ ) ( resid 154 and name  hg+ )   5.0   3.2   0.0
assign ( resid 114 and name   ha ) ( resid 114 and name   hb )   5.0   3.2   0.0
assign ( resid 114 and name   ha ) ( resid 114 and name hg++ )   3.5   1.7   0.0
assign ( resid 114 and name   ha ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid 114 and name   hb ) ( resid 114 and name hg++ )   5.0   3.2   0.0
assign ( resid 114 and name   hb ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid 114 and name hg++ ) ( resid 114 and name   hn )   5.0   3.2   0.0
assign ( resid 114 and name   ha ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid 114 and name   hb ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid 114 and name hg++ ) ( resid 115 and name   ha )   5.0   3.2   0.0
assign ( resid 114 and name hg++ ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid 114 and name   hn ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid 114 and name   ha ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 114 and name   hn ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 115 and name   ha ) ( resid 115 and name  hb+ )   5.0   3.2   0.0
assign ( resid 115 and name   ha ) ( resid 115 and name  hg+ )   5.0   3.2   0.0
assign ( resid 115 and name   ha ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid 115 and name  hb+ ) ( resid 115 and name  hg+ )   5.0   3.2   0.0
assign ( resid 115 and name  hb+ ) ( resid 115 and name   hn )   5.0   3.2   0.0
assign ( resid 115 and name   ha ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 115 and name  hb+ ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 115 and name  hb+ ) ( resid 116 and name  ha+ )   5.0   3.2   0.0
assign ( resid 115 and name   hn ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 115 and name  hb+ ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid 115 and name  hb+ ) ( resid 155 and name  hg+ )   5.0   3.2   0.0
assign ( resid 115 and name  hg+ ) ( resid 155 and name  hg+ )   5.0   3.2   0.0
assign ( resid 116 and name  ha+ ) ( resid 116 and name   hn )   5.0   3.2   0.0
assign ( resid 116 and name  ha+ ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid 116 and name  ha+ ) ( resid 117 and name  ha+ )   5.0   3.2   0.0
assign ( resid 116 and name   hn ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid 117 and name  ha+ ) ( resid 117 and name   hn )   5.0   3.2   0.0
assign ( resid 117 and name  ha+ ) ( resid 118 and name  hb+ )   5.0   3.2   0.0
assign ( resid 117 and name  ha+ ) ( resid 118 and name   hn )   5.0   3.2   0.0
assign ( resid 117 and name   hn ) ( resid 118 and name   hn )   5.0   3.2   0.0
assign ( resid 118 and name   ha ) ( resid 118 and name  hb+ )   3.5   1.7   0.0
assign ( resid 118 and name   ha ) ( resid 118 and name   hn )   5.0   3.2   0.0
assign ( resid 118 and name  hb+ ) ( resid 118 and name   hn )   3.5   1.7   0.0
assign ( resid 118 and name   ha ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 118 and name  hb+ ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 119 and name   ha ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 119 and name  hb+ ) ( resid 119 and name   hg )   5.0   3.2   0.0
assign ( resid 119 and name  hb+ ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 119 and name  hb+ ) ( resid 119 and name hd++ )   5.0   3.2   0.0
assign ( resid 119 and name hd++ ) ( resid 119 and name   hg )   5.0   3.2   0.0
assign ( resid 119 and name hd++ ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 119 and name   hg ) ( resid 119 and name   hn )   5.0   3.2   0.0
assign ( resid 119 and name   ha ) ( resid 120 and name   hn )   3.5   1.7   0.0
assign ( resid 119 and name  hb+ ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid 119 and name hd++ ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid 119 and name   hn ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid 119 and name hd++ ) ( resid 130 and name hd2+ )   5.0   3.2   0.0
assign ( resid 119 and name hd++ ) ( resid 130 and name  hb+ )   5.0   3.2   0.0
assign ( resid 119 and name hd++ ) ( resid 153 and name hd++ )   5.0   3.2   0.0
assign ( resid 120 and name   ha ) ( resid 120 and name   hb )   5.0   3.2   0.0
assign ( resid 120 and name   ha ) ( resid 120 and name hg2+ )   3.5   1.7   0.0
assign ( resid 120 and name   ha ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name   hb ) ( resid 120 and name hg2+ )   3.5   1.7   0.0
assign ( resid 120 and name   hb ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name hg2+ ) ( resid 120 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name   ha ) ( resid 121 and name   hb )   5.0   3.2   0.0
assign ( resid 120 and name   ha ) ( resid 121 and name   hn )   3.5   1.7   0.0
assign ( resid 120 and name   hb ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name hg2+ ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name   hn ) ( resid 121 and name hg++ )   5.0   3.2   0.0
assign ( resid 120 and name   hn ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name hg2+ ) ( resid 122 and name   hb )   3.5   1.7   0.0
assign ( resid 120 and name   hn ) ( resid 129 and name hg++ )   5.0   3.2   0.0
assign ( resid 120 and name   hb ) ( resid 130 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name hg2+ ) ( resid 130 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name   hn ) ( resid 130 and name   ha )   5.0   3.2   0.0
assign ( resid 120 and name   hn ) ( resid 130 and name hd2+ )   5.0   3.2   0.0
assign ( resid 120 and name   hn ) ( resid 130 and name   hn )   5.0   3.2   0.0
assign ( resid 120 and name hg2+ ) ( resid 132 and name   hn )   5.0   3.2   0.0
assign ( resid 121 and name   ha ) ( resid 121 and name   hb )   5.0   3.2   0.0
assign ( resid 121 and name   ha ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid 121 and name   hb ) ( resid 121 and name hg++ )   3.5   1.7   0.0
assign ( resid 121 and name   hb ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid 121 and name hg++ ) ( resid 121 and name   hn )   5.0   3.2   0.0
assign ( resid 121 and name   ha ) ( resid 122 and name   hn )   3.5   1.7   0.0
assign ( resid 121 and name   hb ) ( resid 122 and name   hn )   5.0   3.2   0.0
assign ( resid 121 and name hg++ ) ( resid 122 and name   hn )   5.0   3.2   0.0
assign ( resid 121 and name   hn ) ( resid 122 and name   hn )   5.0   3.2   0.0
assign ( resid 121 and name   ha ) ( resid 129 and name   ha )   5.0   3.2   0.0
assign ( resid 121 and name   ha ) ( resid 130 and name   hn )   5.0   3.2   0.0
assign ( resid 122 and name   ha ) ( resid 122 and name   hb )   5.0   3.2   0.0
assign ( resid 122 and name   ha ) ( resid 122 and name hg2+ )   3.5   1.7   0.0
assign ( resid 122 and name   ha ) ( resid 122 and name   hn )   5.0   3.2   0.0
assign ( resid 122 and name   hb ) ( resid 122 and name   hn )   5.0   3.2   0.0
assign ( resid 122 and name hg2+ ) ( resid 122 and name   hn )   5.0   3.2   0.0
assign ( resid 122 and name   hb ) ( resid 123 and name hd++ )   5.0   3.2   0.0
assign ( resid 122 and name   hn ) ( resid 123 and name hd++ )   5.0   3.2   0.0
assign ( resid 122 and name   hn ) ( resid 128 and name   hn )   5.0   3.2   0.0
assign ( resid 122 and name   hn ) ( resid 129 and name   ha )   5.0   3.2   0.0
assign ( resid 123 and name   ha ) ( resid 123 and name  hb+ )   5.0   3.2   0.0
assign ( resid 123 and name   ha ) ( resid 123 and name   hg )   5.0   3.2   0.0
assign ( resid 123 and name   ha ) ( resid 123 and name   hn )   5.0   3.2   0.0
assign ( resid 123 and name  hb+ ) ( resid 123 and name hd++ )   5.0   3.2   0.0
assign ( resid 123 and name  hb+ ) ( resid 123 and name   hn )   5.0   3.2   0.0
assign ( resid 123 and name hd++ ) ( resid 123 and name   hn )   5.0   3.2   0.0
assign ( resid 123 and name   hg ) ( resid 123 and name   hn )   5.0   3.2   0.0
assign ( resid 123 and name   ha ) ( resid 124 and name   hn )   5.0   3.2   0.0
assign ( resid 123 and name  hb+ ) ( resid 124 and name   hn )   5.0   3.2   0.0
assign ( resid 123 and name hd++ ) ( resid 124 and name   hn )   5.0   3.2   0.0
assign ( resid 123 and name   hg ) ( resid 124 and name   hn )   5.0   3.2   0.0
assign ( resid 123 and name   hn ) ( resid 124 and name  hb+ )   5.0   3.2   0.0
assign ( resid 123 and name   hn ) ( resid 124 and name   hn )   5.0   3.2   0.0
assign ( resid 123 and name   ha ) ( resid 127 and name   ha )   3.5   1.7   0.0
assign ( resid 123 and name   ha ) ( resid 127 and name  hd+ )   5.0   3.2   0.0
assign ( resid 123 and name   ha ) ( resid 128 and name   hn )   5.0   3.2   0.0
assign ( resid 124 and name   ha ) ( resid 124 and name  hb+ )   3.5   1.7   0.0
assign ( resid 124 and name   ha ) ( resid 124 and name  hg+ )   3.5   1.7   0.0
assign ( resid 124 and name   ha ) ( resid 124 and name   hn )   5.0   3.2   0.0
assign ( resid 124 and name  hb+ ) ( resid 124 and name  hg+ )   3.5   1.7   0.0
assign ( resid 124 and name  hb+ ) ( resid 124 and name   hn )   3.5   1.7   0.0
assign ( resid 124 and name  hg+ ) ( resid 124 and name   hn )   5.0   3.2   0.0
assign ( resid 124 and name   ha ) ( resid 126 and name   hn )   5.0   3.2   0.0
assign ( resid 124 and name  hg+ ) ( resid 126 and name   hn )   5.0   3.2   0.0
assign ( resid 124 and name   hn ) ( resid 126 and name   hn )   5.0   3.2   0.0
assign ( resid 126 and name  ha+ ) ( resid 126 and name   hn )   5.0   3.2   0.0
assign ( resid 126 and name  ha+ ) ( resid 127 and name  hd+ )   5.0   3.2   0.0
assign ( resid 126 and name   hn ) ( resid 127 and name  hb+ )   5.0   3.2   0.0
assign ( resid 126 and name   hn ) ( resid 127 and name  hd+ )   5.0   3.2   0.0
assign ( resid 127 and name  hb+ ) ( resid 127 and name  hd+ )   5.0   3.2   0.0
assign ( resid 127 and name  hb+ ) ( resid 127 and name  hg+ )   5.0   3.2   0.0
assign ( resid 127 and name  hd+ ) ( resid 127 and name  hg+ )   5.0   3.2   0.0
assign ( resid 127 and name  hb+ ) ( resid 128 and name   hn )   5.0   3.2   0.0
assign ( resid 127 and name  hg+ ) ( resid 128 and name   hn )   5.0   3.2   0.0
assign ( resid 128 and name   ha ) ( resid 128 and name   hn )   5.0   3.2   0.0
assign ( resid 128 and name  hb+ ) ( resid 128 and name   hn )   5.0   3.2   0.0
assign ( resid 128 and name   ha ) ( resid 129 and name   hn )   5.0   3.2   0.0
assign ( resid 128 and name   hn ) ( resid 129 and name   hn )   5.0   3.2   0.0
assign ( resid 128 and name   ha ) ( resid 132 and name   hn )   5.0   3.2   0.0
assign ( resid 128 and name   ha ) ( resid 133 and name   ha )   5.0   3.2   0.0
assign ( resid 128 and name  he+ ) ( resid 133 and name  hb+ )   5.0   3.2   0.0
assign ( resid 128 and name   ha ) ( resid 134 and name   hn )   5.0   3.2   0.0
assign ( resid 128 and name   hn ) ( resid 134 and name hd1+ )   5.0   3.2   0.0
assign ( resid 129 and name   hb ) ( resid 129 and name hg++ )   3.5   1.7   0.0
assign ( resid 129 and name   hb ) ( resid 129 and name   hn )   5.0   3.2   0.0
assign ( resid 129 and name hg++ ) ( resid 129 and name   hn )   5.0   3.2   0.0
assign ( resid 129 and name   hb ) ( resid 130 and name   hn )   5.0   3.2   0.0
assign ( resid 129 and name hg++ ) ( resid 130 and name  hb+ )   5.0   3.2   0.0
assign ( resid 129 and name hg++ ) ( resid 130 and name   ha )   5.0   3.2   0.0
assign ( resid 129 and name hg++ ) ( resid 130 and name   hn )   5.0   3.2   0.0
assign ( resid 129 and name hg++ ) ( resid 130 and name hd2+ )   5.0   3.2   0.0
assign ( resid 129 and name   hn ) ( resid 130 and name   hn )   5.0   3.2   0.0
assign ( resid 129 and name hg++ ) ( resid 132 and name   hb )   5.0   3.2   0.0
assign ( resid 129 and name hg++ ) ( resid 132 and name   hn )   5.0   3.2   0.0
assign ( resid 129 and name   hn ) ( resid 132 and name   hb )   5.0   3.2   0.0
assign ( resid 129 and name   hn ) ( resid 132 and name   hn )   5.0   3.2   0.0
assign ( resid 129 and name   hb ) ( resid 133 and name   ha )   5.0   3.2   0.0
assign ( resid 129 and name   hn ) ( resid 134 and name hd1+ )   5.0   3.2   0.0
assign ( resid 129 and name   hn ) ( resid 134 and name   hn )   5.0   3.2   0.0
assign ( resid 130 and name   ha ) ( resid 130 and name hd2+ )   5.0   3.2   0.0
assign ( resid 130 and name   ha ) ( resid 130 and name  hb+ )   5.0   3.2   0.0
assign ( resid 130 and name   ha ) ( resid 130 and name   hn )   3.5   1.7   0.0
assign ( resid 130 and name  hb+ ) ( resid 130 and name hd2+ )   5.0   3.2   0.0
assign ( resid 130 and name  hb+ ) ( resid 130 and name   hn )   5.0   3.2   0.0
assign ( resid 130 and name   ha ) ( resid 131 and name   hn )   5.0   3.2   0.0
assign ( resid 130 and name  hb+ ) ( resid 131 and name   hn )   5.0   3.2   0.0
assign ( resid 130 and name   hn ) ( resid 131 and name   hn )   5.0   3.2   0.0
assign ( resid 130 and name   hn ) ( resid 132 and name hg++ )   5.0   3.2   0.0
assign ( resid 130 and name  hb+ ) ( resid 153 and name hd++ )   5.0   3.2   0.0
assign ( resid 130 and name hd2+ ) ( resid 153 and name hd++ )   5.0   3.2   0.0
assign ( resid 131 and name  ha+ ) ( resid 131 and name   hn )   5.0   3.2   0.0
assign ( resid 131 and name  ha+ ) ( resid 132 and name   hn )   5.0   3.2   0.0
assign ( resid 131 and name   hn ) ( resid 132 and name   hn )   5.0   3.2   0.0
assign ( resid 132 and name   ha ) ( resid 132 and name   hb )   5.0   3.2   0.0
assign ( resid 132 and name   ha ) ( resid 132 and name hg++ )   3.5   1.7   0.0
assign ( resid 132 and name   ha ) ( resid 132 and name   hn )   5.0   3.2   0.0
assign ( resid 132 and name   hb ) ( resid 132 and name hg++ )   3.5   1.7   0.0
assign ( resid 132 and name   hb ) ( resid 132 and name   hn )   5.0   3.2   0.0
assign ( resid 132 and name hg++ ) ( resid 132 and name   hn )   5.0   3.2   0.0
assign ( resid 132 and name   ha ) ( resid 133 and name   hn )   3.5   1.7   0.0
assign ( resid 132 and name   hb ) ( resid 133 and name   hn )   5.0   3.2   0.0
assign ( resid 132 and name hg++ ) ( resid 133 and name   hn )   5.0   3.2   0.0
assign ( resid 132 and name hg++ ) ( resid 133 and name   ha )   5.0   3.2   0.0
assign ( resid 132 and name hg++ ) ( resid 133 and name  hb+ )   5.0   3.2   0.0
assign ( resid 132 and name   hn ) ( resid 133 and name   hn )   5.0   3.2   0.0
assign ( resid 132 and name hg++ ) ( resid 150 and name  hb+ )   5.0   3.2   0.0
assign ( resid 132 and name hg++ ) ( resid 151 and name  ha+ )   5.0   3.2   0.0
assign ( resid 132 and name hg++ ) ( resid 151 and name   hn )   5.0   3.2   0.0
assign ( resid 132 and name hg++ ) ( resid 152 and name   hn )   5.0   3.2   0.0
assign ( resid 132 and name   hb ) ( resid 153 and name hd++ )   5.0   3.2   0.0
assign ( resid 133 and name   ha ) ( resid 133 and name  hb+ )   5.0   3.2   0.0
assign ( resid 133 and name   ha ) ( resid 133 and name   hn )   5.0   3.2   0.0
assign ( resid 133 and name  hb+ ) ( resid 133 and name   hn )   5.0   3.2   0.0
assign ( resid 133 and name   ha ) ( resid 134 and name   hb )   5.0   3.2   0.0
assign ( resid 133 and name   ha ) ( resid 134 and name hg1+ )   5.0   3.2   0.0
assign ( resid 133 and name   ha ) ( resid 134 and name hd1+ )   5.0   3.2   0.0
assign ( resid 133 and name   ha ) ( resid 134 and name   hn )   5.0   3.2   0.0
assign ( resid 133 and name  hb+ ) ( resid 134 and name   hn )   5.0   3.2   0.0
assign ( resid 133 and name  hb+ ) ( resid 134 and name   hb )   5.0   3.2   0.0
assign ( resid 133 and name   hn ) ( resid 134 and name   hn )   5.0   3.2   0.0
assign ( resid 133 and name  hb+ ) ( resid 135 and name   ha )   3.5   1.7   0.0
assign ( resid 133 and name  hb+ ) ( resid 150 and name  hb+ )   5.0   3.2   0.0
assign ( resid 133 and name  hb+ ) ( resid 150 and name   hn )   5.0   3.2   0.0
assign ( resid 133 and name   hn ) ( resid 150 and name  hb+ )   5.0   3.2   0.0
assign ( resid 134 and name   ha ) ( resid 134 and name   hb )   5.0   3.2   0.0
assign ( resid 134 and name   ha ) ( resid 134 and name   hn )   5.0   3.2   0.0
assign ( resid 134 and name   hb ) ( resid 134 and name hd1+ )   5.0   3.2   0.0
assign ( resid 134 and name   hb ) ( resid 134 and name hg1+ )   5.0   3.2   0.0
assign ( resid 134 and name   hb ) ( resid 134 and name hg2+ )   5.0   3.2   0.0
assign ( resid 134 and name   hb ) ( resid 134 and name   hn )   5.0   3.2   0.0
assign ( resid 134 and name hd1+ ) ( resid 134 and name hg1+ )   5.0   3.2   0.0
assign ( resid 134 and name hd1+ ) ( resid 134 and name hg2+ )   3.5   1.7   0.0
assign ( resid 134 and name hd1+ ) ( resid 134 and name   hn )   5.0   3.2   0.0
assign ( resid 134 and name hg1+ ) ( resid 134 and name hg2+ )   5.0   3.2   0.0
assign ( resid 134 and name hg1+ ) ( resid 134 and name   hn )   5.0   3.2   0.0
assign ( resid 134 and name hg2+ ) ( resid 134 and name   hn )   5.0   3.2   0.0
assign ( resid 134 and name   ha ) ( resid 135 and name   hn )   5.0   3.2   0.0
assign ( resid 134 and name   hb ) ( resid 135 and name   hn )   5.0   3.2   0.0
assign ( resid 134 and name hg2+ ) ( resid 135 and name   hn )   5.0   3.2   0.0
assign ( resid 134 and name   ha ) ( resid 136 and name   hn )   5.0   3.2   0.0
assign ( resid 134 and name hg2+ ) ( resid 136 and name   hn )   5.0   3.2   0.0
assign ( resid 134 and name hd1+ ) ( resid 137 and name  hg+ )   5.0   3.2   0.0
assign ( resid 134 and name hg2+ ) ( resid 137 and name   ha )   5.0   3.2   0.0
assign ( resid 134 and name hg2+ ) ( resid 137 and name  hb+ )   5.0   3.2   0.0
assign ( resid 134 and name hg2+ ) ( resid 137 and name  hd+ )   5.0   3.2   0.0
assign ( resid 134 and name hg2+ ) ( resid 137 and name  hg+ )   3.5   1.7   0.0
assign ( resid 134 and name hg2+ ) ( resid 138 and name   hn )   5.0   3.2   0.0
assign ( resid 134 and name   ha ) ( resid 149 and name   ha )   5.0   3.2   0.0
assign ( resid 134 and name   ha ) ( resid 149 and name hg2+ )   3.5   1.7   0.0
assign ( resid 134 and name hg2+ ) ( resid 149 and name   ha )   5.0   3.2   0.0
assign ( resid 135 and name   ha ) ( resid 135 and name  hb+ )   3.5   1.7   0.0
assign ( resid 135 and name   ha ) ( resid 135 and name   hn )   5.0   3.2   0.0
assign ( resid 135 and name  hb+ ) ( resid 135 and name   hn )   5.0   3.2   0.0
assign ( resid 135 and name   ha ) ( resid 136 and name   hn )   5.0   3.2   0.0
assign ( resid 135 and name  hb+ ) ( resid 136 and name   hn )   5.0   3.2   0.0
assign ( resid 135 and name   hn ) ( resid 136 and name   hn )   5.0   3.2   0.0
assign ( resid 135 and name   hn ) ( resid 148 and name   hb )   5.0   3.2   0.0
assign ( resid 135 and name   hn ) ( resid 148 and name hg++ )   5.0   3.2   0.0
assign ( resid 135 and name   hn ) ( resid 149 and name   ha )   5.0   3.2   0.0
assign ( resid 135 and name   hn ) ( resid 150 and name   hn )   5.0   3.2   0.0
assign ( resid 136 and name  hb+ ) ( resid 136 and name  hg+ )   3.5   1.7   0.0
assign ( resid 136 and name  hb+ ) ( resid 136 and name   hn )   5.0   3.2   0.0
assign ( resid 136 and name  hb+ ) ( resid 137 and name  hd+ )   5.0   3.2   0.0
assign ( resid 136 and name   hn ) ( resid 137 and name  hd+ )   5.0   3.2   0.0
assign ( resid 137 and name   ha ) ( resid 137 and name  hd+ )   5.0   3.2   0.0
assign ( resid 137 and name   ha ) ( resid 137 and name  hg+ )   5.0   3.2   0.0
assign ( resid 137 and name   ha ) ( resid 137 and name  hb+ )   5.0   3.2   0.0
assign ( resid 137 and name  hb+ ) ( resid 137 and name  hd+ )   5.0   3.2   0.0
assign ( resid 137 and name  hd+ ) ( resid 137 and name  hg+ )   5.0   3.2   0.0
assign ( resid 137 and name   ha ) ( resid 138 and name   ha )   5.0   3.2   0.0
assign ( resid 137 and name   ha ) ( resid 138 and name  hb+ )   5.0   3.2   0.0
assign ( resid 137 and name   ha ) ( resid 138 and name   hn )   5.0   3.2   0.0
assign ( resid 137 and name  hb+ ) ( resid 138 and name   hn )   5.0   3.2   0.0
assign ( resid 137 and name  hb+ ) ( resid 138 and name  hb+ )   5.0   3.2   0.0
assign ( resid 137 and name  hg+ ) ( resid 138 and name   hn )   5.0   3.2   0.0
assign ( resid 137 and name   ha ) ( resid 148 and name   hn )   5.0   3.2   0.0
assign ( resid 138 and name   ha ) ( resid 138 and name  hb+ )   5.0   3.2   0.0
assign ( resid 138 and name   ha ) ( resid 138 and name   hn )   5.0   3.2   0.0
assign ( resid 138 and name  hb+ ) ( resid 138 and name   hn )   5.0   3.2   0.0
assign ( resid 138 and name   ha ) ( resid 139 and name   hn )   5.0   3.2   0.0
assign ( resid 138 and name   hn ) ( resid 139 and name hg++ )   5.0   3.2   0.0
assign ( resid 138 and name   hn ) ( resid 139 and name   hn )   5.0   3.2   0.0
assign ( resid 138 and name   hn ) ( resid 147 and name   ha )   5.0   3.2   0.0
assign ( resid 138 and name   hn ) ( resid 148 and name   hn )   5.0   3.2   0.0
assign ( resid 139 and name   ha ) ( resid 139 and name   hb )   5.0   3.2   0.0
assign ( resid 139 and name   ha ) ( resid 139 and name hg++ )   5.0   3.2   0.0
assign ( resid 139 and name   ha ) ( resid 139 and name   hn )   5.0   3.2   0.0
assign ( resid 139 and name   hb ) ( resid 139 and name hg++ )   3.5   1.7   0.0
assign ( resid 139 and name   hb ) ( resid 139 and name   hn )   5.0   3.2   0.0
assign ( resid 139 and name hg++ ) ( resid 139 and name   hn )   5.0   3.2   0.0
assign ( resid 139 and name   ha ) ( resid 140 and name  hb+ )   5.0   3.2   0.0
assign ( resid 139 and name   ha ) ( resid 140 and name   hn )   3.5   1.7   0.0
assign ( resid 139 and name   hb ) ( resid 140 and name   hn )   5.0   3.2   0.0
assign ( resid 139 and name hg++ ) ( resid 140 and name   hn )   5.0   3.2   0.0
assign ( resid 139 and name   hn ) ( resid 140 and name   hn )   5.0   3.2   0.0
assign ( resid 139 and name   hn ) ( resid 146 and name hd1+ )   5.0   3.2   0.0
assign ( resid 139 and name   hn ) ( resid 146 and name   hb )   5.0   3.2   0.0
assign ( resid 139 and name   hn ) ( resid 146 and name   hn )   5.0   3.2   0.0
assign ( resid 139 and name   hn ) ( resid 147 and name   ha )   5.0   3.2   0.0
assign ( resid 140 and name   ha ) ( resid 140 and name  hb+ )   5.0   3.2   0.0
assign ( resid 140 and name   ha ) ( resid 140 and name   hn )   5.0   3.2   0.0
assign ( resid 140 and name  hb+ ) ( resid 140 and name   hn )   5.0   3.2   0.0
assign ( resid 140 and name   ha ) ( resid 141 and name   hn )   5.0   3.2   0.0
assign ( resid 140 and name  hb+ ) ( resid 141 and name   hn )   5.0   3.2   0.0
assign ( resid 140 and name   hn ) ( resid 141 and name   hn )   5.0   3.2   0.0
assign ( resid 140 and name   ha ) ( resid 145 and name   ha )   5.0   3.2   0.0
assign ( resid 140 and name   ha ) ( resid 146 and name   hn )   5.0   3.2   0.0
assign ( resid 141 and name   ha ) ( resid 141 and name   hn )   5.0   3.2   0.0
assign ( resid 141 and name  hb+ ) ( resid 141 and name   hn )   5.0   3.2   0.0
assign ( resid 141 and name  hb+ ) ( resid 142 and name   hn )   5.0   3.2   0.0
assign ( resid 141 and name  hb+ ) ( resid 143 and name   hn )   5.0   3.2   0.0
assign ( resid 141 and name  hb+ ) ( resid 144 and name   hn )   5.0   3.2   0.0
assign ( resid 141 and name   hn ) ( resid 144 and name   hn )   5.0   3.2   0.0
assign ( resid 141 and name   hn ) ( resid 145 and name   ha )   5.0   3.2   0.0
assign ( resid 141 and name   hn ) ( resid 145 and name   hb )   5.0   3.2   0.0
assign ( resid 142 and name   ha ) ( resid 142 and name  hb+ )   5.0   3.2   0.0
assign ( resid 142 and name   ha ) ( resid 142 and name   hn )   5.0   3.2   0.0
assign ( resid 142 and name  hb+ ) ( resid 142 and name   hn )   5.0   3.2   0.0
assign ( resid 142 and name   ha ) ( resid 143 and name   hn )   5.0   3.2   0.0
assign ( resid 142 and name   hn ) ( resid 143 and name   hn )   5.0   3.2   0.0
assign ( resid 143 and name   ha ) ( resid 143 and name  hb+ )   5.0   3.2   0.0
assign ( resid 143 and name   ha ) ( resid 143 and name hd2+ )   5.0   3.2   0.0
assign ( resid 143 and name   ha ) ( resid 143 and name   hn )   5.0   3.2   0.0
assign ( resid 143 and name  hb+ ) ( resid 143 and name hd2+ )   5.0   3.2   0.0
assign ( resid 143 and name  hb+ ) ( resid 143 and name   hn )   5.0   3.2   0.0
assign ( resid 143 and name   ha ) ( resid 144 and name  ha+ )   5.0   3.2   0.0
assign ( resid 143 and name   ha ) ( resid 144 and name   hn )   5.0   3.2   0.0
assign ( resid 143 and name  hb+ ) ( resid 144 and name   hn )   5.0   3.2   0.0
assign ( resid 143 and name   hn ) ( resid 144 and name  ha+ )   5.0   3.2   0.0
assign ( resid 143 and name   hn ) ( resid 144 and name   hn )   5.0   3.2   0.0
assign ( resid 144 and name  ha+ ) ( resid 144 and name   hn )   5.0   3.2   0.0
assign ( resid 144 and name  ha+ ) ( resid 145 and name   hn )   5.0   3.2   0.0
assign ( resid 144 and name   hn ) ( resid 145 and name   hn )   5.0   3.2   0.0
assign ( resid 145 and name   ha ) ( resid 145 and name   hb )   5.0   3.2   0.0
assign ( resid 145 and name   ha ) ( resid 145 and name hg++ )   3.5   1.7   0.0
assign ( resid 145 and name   ha ) ( resid 145 and name   hn )   5.0   3.2   0.0
assign ( resid 145 and name   hb ) ( resid 145 and name hg++ )   3.5   1.7   0.0
assign ( resid 145 and name   hb ) ( resid 145 and name   hn )   5.0   3.2   0.0
assign ( resid 145 and name hg++ ) ( resid 145 and name   hn )   5.0   3.2   0.0
assign ( resid 145 and name   ha ) ( resid 146 and name   hn )   3.5   1.7   0.0
assign ( resid 145 and name   hn ) ( resid 146 and name   ha )   5.0   3.2   0.0
assign ( resid 146 and name   ha ) ( resid 146 and name   hn )   5.0   3.2   0.0
assign ( resid 146 and name   hb ) ( resid 146 and name hd1+ )   5.0   3.2   0.0
assign ( resid 146 and name   hb ) ( resid 146 and name   hn )   5.0   3.2   0.0
assign ( resid 146 and name hd1+ ) ( resid 146 and name   hn )   5.0   3.2   0.0
assign ( resid 147 and name   ha ) ( resid 147 and name  hb+ )   5.0   3.2   0.0
assign ( resid 147 and name   ha ) ( resid 147 and name   hn )   5.0   3.2   0.0
assign ( resid 147 and name  hb+ ) ( resid 147 and name   hn )   5.0   3.2   0.0
assign ( resid 147 and name   ha ) ( resid 148 and name   hb )   5.0   3.2   0.0
assign ( resid 147 and name   ha ) ( resid 148 and name hg++ )   5.0   3.2   0.0
assign ( resid 147 and name   ha ) ( resid 148 and name   hn )   5.0   3.2   0.0
assign ( resid 147 and name  hb+ ) ( resid 148 and name   hn )   5.0   3.2   0.0
assign ( resid 148 and name   ha ) ( resid 148 and name   hb )   5.0   3.2   0.0
assign ( resid 148 and name   ha ) ( resid 148 and name hg++ )   3.5   1.7   0.0
assign ( resid 148 and name   ha ) ( resid 148 and name   hn )   5.0   3.2   0.0
assign ( resid 148 and name   hb ) ( resid 148 and name hg++ )   3.5   1.7   0.0
assign ( resid 148 and name   hb ) ( resid 148 and name   hn )   5.0   3.2   0.0
assign ( resid 148 and name hg++ ) ( resid 148 and name   hn )   3.5   1.7   0.0
assign ( resid 148 and name   ha ) ( resid 149 and name   hn )   3.5   1.7   0.0
assign ( resid 148 and name hg++ ) ( resid 149 and name   hn )   3.5   1.7   0.0
assign ( resid 148 and name   hn ) ( resid 149 and name   hn )   5.0   3.2   0.0
assign ( resid 148 and name hg++ ) ( resid 150 and name   ha )   3.5   1.7   0.0
assign ( resid 148 and name hg++ ) ( resid 151 and name   hn )   5.0   3.2   0.0
assign ( resid 149 and name   ha ) ( resid 149 and name   hb )   5.0   3.2   0.0
assign ( resid 149 and name   ha ) ( resid 149 and name   hn )   5.0   3.2   0.0
assign ( resid 149 and name   hb ) ( resid 149 and name   hn )   5.0   3.2   0.0
assign ( resid 149 and name   ha ) ( resid 150 and name  hb+ )   5.0   3.2   0.0
assign ( resid 149 and name   ha ) ( resid 150 and name   hn )   5.0   3.2   0.0
assign ( resid 149 and name   hb ) ( resid 150 and name   hn )   5.0   3.2   0.0
assign ( resid 149 and name   hn ) ( resid 150 and name   hn )   5.0   3.2   0.0
assign ( resid 149 and name   ha ) ( resid 151 and name   hn )   5.0   3.2   0.0
assign ( resid 149 and name   hb ) ( resid 151 and name   hn )   5.0   3.2   0.0
assign ( resid 149 and name hg1+ ) ( resid 151 and name   hn )   5.0   3.2   0.0
assign ( resid 150 and name   ha ) ( resid 150 and name  hb+ )   5.0   3.2   0.0
assign ( resid 150 and name   ha ) ( resid 150 and name   hn )   5.0   3.2   0.0
assign ( resid 150 and name  hb+ ) ( resid 150 and name   hn )   5.0   3.2   0.0
assign ( resid 150 and name   ha ) ( resid 151 and name   hn )   5.0   3.2   0.0
assign ( resid 150 and name  hb+ ) ( resid 151 and name   hn )   5.0   3.2   0.0
assign ( resid 150 and name   hn ) ( resid 151 and name   hn )   5.0   3.2   0.0
assign ( resid 151 and name  ha+ ) ( resid 151 and name   hn )   5.0   3.2   0.0
assign ( resid 151 and name  ha+ ) ( resid 152 and name hg++ )   5.0   3.2   0.0
assign ( resid 151 and name  ha+ ) ( resid 152 and name   hn )   5.0   3.2   0.0
assign ( resid 151 and name   hn ) ( resid 152 and name hg++ )   5.0   3.2   0.0
assign ( resid 151 and name   hn ) ( resid 152 and name   hn )   5.0   3.2   0.0
assign ( resid 152 and name   ha ) ( resid 152 and name hg++ )   3.5   1.7   0.0
assign ( resid 152 and name   ha ) ( resid 152 and name   hb )   5.0   3.2   0.0
assign ( resid 152 and name   ha ) ( resid 152 and name   hn )   5.0   3.2   0.0
assign ( resid 152 and name   hb ) ( resid 152 and name hg++ )   3.5   1.7   0.0
assign ( resid 152 and name   hb ) ( resid 152 and name   hn )   5.0   3.2   0.0
assign ( resid 152 and name hg++ ) ( resid 152 and name   hn )   5.0   3.2   0.0
assign ( resid 152 and name   ha ) ( resid 153 and name  hb+ )   5.0   3.2   0.0
assign ( resid 152 and name   ha ) ( resid 153 and name   hn )   5.0   3.2   0.0
assign ( resid 152 and name   hb ) ( resid 153 and name   hn )   5.0   3.2   0.0
assign ( resid 152 and name hg++ ) ( resid 153 and name   hn )   5.0   3.2   0.0
assign ( resid 152 and name   hn ) ( resid 153 and name   hn )   5.0   3.2   0.0
assign ( resid 153 and name   ha ) ( resid 153 and name hd++ )   5.0   3.2   0.0
assign ( resid 153 and name   ha ) ( resid 153 and name  hb+ )   5.0   3.2   0.0
assign ( resid 153 and name   ha ) ( resid 153 and name   hg )   5.0   3.2   0.0
assign ( resid 153 and name   ha ) ( resid 153 and name   hn )   5.0   3.2   0.0
assign ( resid 153 and name  hb+ ) ( resid 153 and name hd++ )   5.0   3.2   0.0
assign ( resid 153 and name  hb+ ) ( resid 153 and name   hg )   5.0   3.2   0.0
assign ( resid 153 and name  hb+ ) ( resid 153 and name   hn )   5.0   3.2   0.0
assign ( resid 153 and name hd++ ) ( resid 153 and name   hg )   5.0   3.2   0.0
assign ( resid 153 and name hd++ ) ( resid 153 and name   hn )   5.0   3.2   0.0
assign ( resid 153 and name   hg ) ( resid 153 and name   hn )   5.0   3.2   0.0
assign ( resid 153 and name   ha ) ( resid 154 and name   ha )   5.0   3.2   0.0
assign ( resid 153 and name   ha ) ( resid 154 and name  hg+ )   5.0   3.2   0.0
assign ( resid 153 and name   ha ) ( resid 154 and name   hn )   3.5   1.7   0.0
assign ( resid 153 and name  hb+ ) ( resid 154 and name   hn )   5.0   3.2   0.0
assign ( resid 153 and name hd++ ) ( resid 154 and name   hn )   5.0   3.2   0.0
assign ( resid 153 and name   hn ) ( resid 154 and name   hn )   5.0   3.2   0.0
assign ( resid 154 and name   ha ) ( resid 154 and name  hb+ )   5.0   3.2   0.0
assign ( resid 154 and name   ha ) ( resid 154 and name  hg+ )   5.0   3.2   0.0
assign ( resid 154 and name   ha ) ( resid 154 and name   hn )   5.0   3.2   0.0
assign ( resid 154 and name  hb+ ) ( resid 154 and name  hg+ )   5.0   3.2   0.0
assign ( resid 154 and name  hb+ ) ( resid 154 and name   hn )   5.0   3.2   0.0
assign ( resid 154 and name  hg+ ) ( resid 154 and name   hn )   5.0   3.2   0.0
assign ( resid 154 and name   ha ) ( resid 155 and name  hg+ )   5.0   3.2   0.0
assign ( resid 154 and name   ha ) ( resid 155 and name  hb+ )   5.0   3.2   0.0
assign ( resid 154 and name   ha ) ( resid 155 and name  hd+ )   5.0   3.2   0.0
assign ( resid 154 and name  hb+ ) ( resid 155 and name  hd+ )   5.0   3.2   0.0
assign ( resid 154 and name  hb+ ) ( resid 155 and name  hg+ )   5.0   3.2   0.0
assign ( resid 154 and name  hg+ ) ( resid 155 and name  hd+ )   5.0   3.2   0.0
assign ( resid 154 and name   hn ) ( resid 155 and name  hd+ )   5.0   3.2   0.0
assign ( resid 154 and name  hb+ ) ( resid 157 and name   hn )   5.0   3.2   0.0
assign ( resid 155 and name  hb+ ) ( resid 155 and name  hd+ )   5.0   3.2   0.0
assign ( resid 155 and name  hb+ ) ( resid 155 and name  hg+ )   5.0   3.2   0.0
assign ( resid 155 and name  hd+ ) ( resid 155 and name  hg+ )   5.0   3.2   0.0
assign ( resid 155 and name  hb+ ) ( resid 156 and name   hn )   5.0   3.2   0.0
assign ( resid 155 and name  hg+ ) ( resid 156 and name   hn )   5.0   3.2   0.0
assign ( resid 155 and name  hg+ ) ( resid 156 and name  ha+ )   5.0   3.2   0.0
assign ( resid 155 and name  hb+ ) ( resid 157 and name   hn )   5.0   3.2   0.0
assign ( resid 155 and name  hd+ ) ( resid 157 and name  hb+ )   5.0   3.2   0.0
assign ( resid 155 and name  hg+ ) ( resid 157 and name   hn )   5.0   3.2   0.0
assign ( resid 156 and name  ha+ ) ( resid 156 and name   hn )   3.5   1.7   0.0
assign ( resid 156 and name  ha+ ) ( resid 157 and name   hn )   5.0   3.2   0.0
assign ( resid 156 and name   hn ) ( resid 157 and name   hn )   5.0   3.2   0.0
assign ( resid 157 and name   ha ) ( resid 157 and name  hb+ )   3.5   1.7   0.0
assign ( resid 157 and name   ha ) ( resid 157 and name   hn )   5.0   3.2   0.0
assign ( resid 157 and name  hb+ ) ( resid 157 and name   hn )   5.0   3.2   0.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU  21           HT2      GLU  21  -8.946  -1.200 -17.484
    2    H2   GLU  21           HT1      GLU  21  -9.133  -2.854 -17.819
    3    H3   GLU  21           HT3      GLU  21 -10.464  -1.813 -17.921
    4    HA   GLU  21           HA       GLU  21 -10.623  -3.069 -15.919
    5   1HB   GLU  21           HB2      GLU  21  -7.942  -1.843 -15.235
    6   2HB   GLU  21           HB1      GLU  21  -8.906  -2.866 -14.179
    7   1HG   GLU  21           HG2      GLU  21  -7.677  -3.700 -16.798
    8   2HG   GLU  21           HG1      GLU  21  -7.062  -4.093 -15.192
    9    H    THR  22           HN       THR  22 -11.393  -2.110 -13.919
   10    HA   THR  22           HA       THR  22 -11.327   0.801 -13.767
   11    HB   THR  22           HB       THR  22 -13.919  -0.751 -13.977
   12    HG1  THR  22           HG1      THR  22 -12.372   0.314 -15.840
   13   1HG2  THR  22          2HG2      THR  22 -14.074   1.065 -12.336
   14   2HG2  THR  22          1HG2      THR  22 -13.456   2.201 -13.535
   15   3HG2  THR  22          3HG2      THR  22 -15.020   1.426 -13.780
   16    H    GLY  23           HN       GLY  23 -11.229   1.481 -11.712
   17   1HA   GLY  23           HA1      GLY  23 -11.725  -0.531  -9.594
   18   2HA   GLY  23           HA2      GLY  23 -11.798   1.214  -9.344
   19    H    ASP  24           HN       ASP  24  -9.481  -0.966 -10.893
   20    HA   ASP  24           HA       ASP  24  -7.243  -0.871 -11.085
   21   1HB   ASP  24           HB2      ASP  24  -7.529   1.548 -11.384
   22   2HB   ASP  24           HB1      ASP  24  -7.475   1.777  -9.640
   23    H    ILE  25           HN       ILE  25  -7.076   0.926  -8.115
   24    HA   ILE  25           HA       ILE  25  -5.629  -1.150  -6.788
   25    HB   ILE  25           HB       ILE  25  -6.907   1.248  -5.462
   26   1HG1  ILE  25          2HG1      ILE  25  -4.343   2.033  -5.761
   27   2HG1  ILE  25          1HG1      ILE  25  -4.537   1.105  -7.243
   28   1HG2  ILE  25          1HG2      ILE  25  -6.080  -0.464  -3.961
   29   2HG2  ILE  25          3HG2      ILE  25  -4.502  -0.414  -4.746
   30   3HG2  ILE  25          2HG2      ILE  25  -5.087   0.989  -3.852
   31   1HD1  ILE  25          1HD1      ILE  25  -6.359   3.347  -6.396
   32   2HD1  ILE  25          3HD1      ILE  25  -4.992   3.525  -7.494
   33   3HD1  ILE  25          2HD1      ILE  25  -6.359   2.500  -7.946
   34    H    VAL  26           HN       VAL  26  -8.894   0.210  -6.496
   35    HA   VAL  26           HA       VAL  26  -9.521  -1.370  -4.203
   36    HB   VAL  26           HB       VAL  26 -11.713  -0.425  -4.289
   37   1HG1  VAL  26          2HG1      VAL  26  -9.641   1.591  -5.132
   38   2HG1  VAL  26          1HG1      VAL  26 -11.168   1.966  -4.336
   39   3HG1  VAL  26          3HG1      VAL  26  -9.942   1.021  -3.492
   40   1HG2  VAL  26          2HG2      VAL  26 -12.177  -0.695  -6.670
   41   2HG2  VAL  26          1HG2      VAL  26 -12.491   0.962  -6.153
   42   3HG2  VAL  26          3HG2      VAL  26 -11.019   0.581  -7.049
   43    H    GLU  27           HN       GLU  27  -9.926  -1.814  -7.647
   44    HA   GLU  27           HA       GLU  27 -12.149  -3.557  -7.508
   45   1HB   GLU  27           HB2      GLU  27 -11.783  -4.022  -9.819
   46   2HB   GLU  27           HB1      GLU  27 -11.428  -2.318  -9.560
   47   1HG   GLU  27           HG2      GLU  27  -9.073  -2.741  -9.607
   48   2HG   GLU  27           HG1      GLU  27  -9.347  -4.483  -9.665
   49    H    THR  28           HN       THR  28  -8.915  -3.969  -6.765
   50    HA   THR  28           HA       THR  28  -8.231  -6.531  -7.372
   51    HB   THR  28           HB       THR  28  -7.734  -5.181  -4.716
   52    HG1  THR  28           HG1      THR  28  -6.723  -3.792  -5.965
   53   1HG2  THR  28          2HG2      THR  28  -6.176  -7.290  -6.219
   54   2HG2  THR  28          1HG2      THR  28  -5.663  -6.500  -4.728
   55   3HG2  THR  28          3HG2      THR  28  -7.090  -7.539  -4.730
   56    H    ALA  29           HN       ALA  29 -10.302  -5.555  -4.587
   57    HA   ALA  29           HA       ALA  29 -10.837  -7.896  -3.378
   58   1HB   ALA  29           HB1      ALA  29 -11.882  -5.741  -2.826
   59   2HB   ALA  29           HB3      ALA  29 -12.964  -5.934  -4.206
   60   3HB   ALA  29           HB2      ALA  29 -13.039  -7.072  -2.860
   61    H    THR  30           HN       THR  30 -11.985  -7.016  -6.602
   62    HA   THR  30           HA       THR  30 -13.918  -9.061  -6.878
   63    HB   THR  30           HB       THR  30 -12.345  -7.861  -9.151
   64    HG1  THR  30           HG1      THR  30 -13.098  -5.995  -8.521
   65   1HG2  THR  30          3HG2      THR  30 -15.198  -8.820  -8.902
   66   2HG2  THR  30          2HG2      THR  30 -14.490  -8.091 -10.343
   67   3HG2  THR  30          1HG2      THR  30 -13.892  -9.643  -9.754
   68    H    GLY  31           HN       GLY  31 -10.472  -8.891  -7.640
   69   1HA   GLY  31           HA1      GLY  31  -9.284 -10.572  -8.899
   70   2HA   GLY  31           HA2      GLY  31 -10.549 -11.716  -8.471
   71    H    ALA  32           HN       ALA  32  -7.939  -9.751  -7.128
   72    HA   ALA  32           HA       ALA  32  -6.461 -10.082  -5.463
   73   1HB   ALA  32           HB1      ALA  32  -7.361 -10.623  -3.286
   74   2HB   ALA  32           HB2      ALA  32  -8.832 -11.256  -4.024
   75   3HB   ALA  32           HB3      ALA  32  -8.455  -9.537  -4.144
   76    H    GLY  33           HN       GLY  33  -5.412 -11.651  -6.883
   77   1HA   GLY  33           HA1      GLY  33  -4.736 -13.921  -7.271
   78   2HA   GLY  33           HA2      GLY  33  -5.492 -14.366  -5.742
   79    H    SER  34           HN       SER  34  -3.308 -11.719  -6.574
   80    HA   SER  34           HA       SER  34  -1.186 -12.858  -4.942
   81   1HB   SER  34           HB2      SER  34   0.022 -10.732  -5.703
   82   2HB   SER  34           HB1      SER  34  -0.418 -11.881  -6.968
   83    HG   SER  34           HG       SER  34  -0.963  -9.715  -7.526
   84    H    PHE  35           HN       PHE  35  -3.422 -10.121  -4.928
   85    HA   PHE  35           HA       PHE  35  -2.391  -9.335  -2.297
   86   1HB   PHE  35           HB2      PHE  35  -4.231  -7.817  -4.155
   87   2HB   PHE  35           HB1      PHE  35  -3.537  -7.200  -2.661
   88    HD1  PHE  35           HD1      PHE  35  -0.930  -7.232  -2.548
   89    HD2  PHE  35           HD2      PHE  35  -3.190  -7.367  -6.147
   90    HE1  PHE  35           HE1      PHE  35   1.021  -6.395  -3.801
   91    HE2  PHE  35           HE2      PHE  35  -1.247  -6.534  -7.407
   92    HZ   PHE  35           HZ       PHE  35   0.861  -6.047  -6.234
   93    H    THR  36           HN       THR  36  -3.964 -11.628  -2.570
   94    HA   THR  36           HA       THR  36  -6.700 -11.106  -2.144
   95    HB   THR  36           HB       THR  36  -5.808 -13.214  -3.047
   96    HG1  THR  36           HG1      THR  36  -7.123 -14.115  -0.755
   97   1HG2  THR  36          1HG2      THR  36  -4.899 -13.724  -0.217
   98   2HG2  THR  36          3HG2      THR  36  -4.919 -14.925  -1.508
   99   3HG2  THR  36          2HG2      THR  36  -3.867 -13.516  -1.632
  100    H    THR  37           HN       THR  37  -3.980 -11.443   0.034
  101    HA   THR  37           HA       THR  37  -5.742 -11.537   2.333
  102    HB   THR  37           HB       THR  37  -3.847 -12.992   2.439
  103    HG1  THR  37           HG1      THR  37  -4.030 -10.864   4.216
  104   1HG2  THR  37          2HG2      THR  37  -2.385 -11.817   0.876
  105   2HG2  THR  37          1HG2      THR  37  -2.113 -10.550   2.073
  106   3HG2  THR  37          3HG2      THR  37  -1.540 -12.190   2.379
  107    H    LEU  38           HN       LEU  38  -4.814  -9.059   0.411
  108    HA   LEU  38           HA       LEU  38  -4.806  -7.201   2.677
  109   1HB   LEU  38           HB2      LEU  38  -2.450  -7.769   1.790
  110   2HB   LEU  38           HB1      LEU  38  -2.884  -6.792   0.404
  111    HG   LEU  38           HG       LEU  38  -1.526  -5.627   2.178
  112   1HD1  LEU  38          3HD1      LEU  38  -2.798  -4.351   0.543
  113   2HD1  LEU  38          2HD1      LEU  38  -4.226  -4.434   1.575
  114   3HD1  LEU  38          1HD1      LEU  38  -2.798  -3.550   2.113
  115   1HD2  LEU  38          2HD2      LEU  38  -4.099  -5.865   3.729
  116   2HD2  LEU  38          1HD2      LEU  38  -2.545  -6.587   4.144
  117   3HD2  LEU  38          3HD2      LEU  38  -2.737  -4.834   4.170
  118    H    LEU  39           HN       LEU  39  -4.618  -7.104  -0.913
  119    HA   LEU  39           HA       LEU  39  -5.765  -4.473  -0.837
  120   1HB   LEU  39           HB2      LEU  39  -3.912  -5.439  -2.389
  121   2HB   LEU  39           HB1      LEU  39  -5.264  -6.003  -3.352
  122    HG   LEU  39           HG       LEU  39  -6.049  -3.708  -3.644
  123   1HD1  LEU  39          2HD1      LEU  39  -3.635  -2.947  -1.998
  124   2HD1  LEU  39          1HD1      LEU  39  -4.690  -1.823  -2.855
  125   3HD1  LEU  39          3HD1      LEU  39  -5.322  -2.778  -1.514
  126   1HD2  LEU  39          1HD2      LEU  39  -4.430  -4.621  -5.242
  127   2HD2  LEU  39          3HD2      LEU  39  -4.228  -2.881  -5.035
  128   3HD2  LEU  39          2HD2      LEU  39  -3.108  -3.997  -4.255
  129    H    THR  40           HN       THR  40  -7.022  -7.641  -1.198
  130    HA   THR  40           HA       THR  40  -9.404  -7.091  -2.532
  131    HB   THR  40           HB       THR  40  -8.678  -9.383  -1.799
  132    HG1  THR  40           HG1      THR  40 -11.109  -9.525  -0.731
  133   1HG2  THR  40          2HG2      THR  40  -9.706  -8.464   0.891
  134   2HG2  THR  40          1HG2      THR  40  -9.264 -10.120   0.472
  135   3HG2  THR  40          3HG2      THR  40  -8.030  -8.857   0.501
  136    H    ALA  41           HN       ALA  41  -8.261  -6.256   0.618
  137    HA   ALA  41           HA       ALA  41 -10.829  -5.439   1.626
  138   1HB   ALA  41           HB1      ALA  41  -8.067  -4.951   2.730
  139   2HB   ALA  41           HB2      ALA  41  -9.120  -6.307   3.142
  140   3HB   ALA  41           HB3      ALA  41  -9.588  -4.661   3.574
  141    H    ALA  42           HN       ALA  42  -8.672  -4.092  -0.559
  142    HA   ALA  42           HA       ALA  42  -8.715  -1.375   0.185
  143   1HB   ALA  42           HB2      ALA  42  -7.229  -2.330  -1.568
  144   2HB   ALA  42           HB3      ALA  42  -8.102  -0.888  -2.106
  145   3HB   ALA  42           HB1      ALA  42  -8.632  -2.491  -2.623
  146    H    GLU  43           HN       GLU  43 -10.772  -3.129  -2.124
  147    HA   GLU  43           HA       GLU  43 -12.759  -1.086  -2.266
  148   1HB   GLU  43           HB2      GLU  43 -12.858  -2.536  -4.067
  149   2HB   GLU  43           HB1      GLU  43 -12.504  -3.947  -3.089
  150   1HG   GLU  43           HG2      GLU  43 -14.711  -4.170  -3.888
  151   2HG   GLU  43           HG1      GLU  43 -14.816  -3.797  -2.171
  152    H    ALA  44           HN       ALA  44 -12.380  -4.067  -0.415
  153    HA   ALA  44           HA       ALA  44 -15.060  -3.971   0.522
  154   1HB   ALA  44           HB1      ALA  44 -13.706  -6.023  -0.063
  155   2HB   ALA  44           HB2      ALA  44 -14.656  -6.104   1.426
  156   3HB   ALA  44           HB3      ALA  44 -12.916  -5.822   1.503
  157    H    ALA  45           HN       ALA  45 -12.278  -2.477   1.749
  158    HA   ALA  45           HA       ALA  45 -13.361  -2.449   4.473
  159   1HB   ALA  45           HB2      ALA  45 -10.807  -1.315   3.334
  160   2HB   ALA  45           HB1      ALA  45 -11.306  -1.162   5.022
  161   3HB   ALA  45           HB3      ALA  45 -10.978  -2.757   4.341
  162    H    GLY  46           HN       GLY  46 -14.076  -0.931   1.738
  163   1HA   GLY  46           HA1      GLY  46 -15.048   1.434   3.107
  164   2HA   GLY  46           HA2      GLY  46 -15.427   0.949   1.462
  165    H    LEU  47           HN       LEU  47 -12.437   0.560   1.025
  166    HA   LEU  47           HA       LEU  47 -11.567   3.375   1.038
  167   1HB   LEU  47           HB2      LEU  47 -10.114   0.788   0.560
  168   2HB   LEU  47           HB1      LEU  47  -9.417   2.312   0.057
  169    HG   LEU  47           HG       LEU  47  -9.414   3.085   2.392
  170   1HD1  LEU  47          2HD1      LEU  47 -10.446   0.325   3.017
  171   2HD1  LEU  47          1HD1      LEU  47  -9.871   1.499   4.201
  172   3HD1  LEU  47          3HD1      LEU  47 -11.314   1.843   3.249
  173   1HD2  LEU  47          3HD2      LEU  47  -7.466   1.940   1.453
  174   2HD2  LEU  47          2HD2      LEU  47  -7.641   1.618   3.179
  175   3HD2  LEU  47          1HD2      LEU  47  -8.116   0.394   1.999
  176    H    VAL  48           HN       VAL  48 -13.168   1.262  -0.905
  177    HA   VAL  48           HA       VAL  48 -12.243   1.680  -3.470
  178    HB   VAL  48           HB       VAL  48 -13.926   0.088  -3.113
  179   1HG1  VAL  48          2HG1      VAL  48 -15.057   1.094  -1.209
  180   2HG1  VAL  48          1HG1      VAL  48 -15.782   2.299  -2.273
  181   3HG1  VAL  48          3HG1      VAL  48 -16.214   0.598  -2.445
  182   1HG2  VAL  48          3HG2      VAL  48 -13.958   1.087  -5.320
  183   2HG2  VAL  48          2HG2      VAL  48 -15.594   0.650  -4.828
  184   3HG2  VAL  48          1HG2      VAL  48 -15.072   2.333  -4.757
  185    H    ASP  49           HN       ASP  49 -14.645   3.595  -1.727
  186    HA   ASP  49           HA       ASP  49 -15.084   5.506  -3.750
  187   1HB   ASP  49           HB2      ASP  49 -16.601   5.140  -1.829
  188   2HB   ASP  49           HB1      ASP  49 -15.376   5.796  -0.750
  189    H    THR  50           HN       THR  50 -12.517   4.978  -1.595
  190    HA   THR  50           HA       THR  50 -11.677   7.766  -1.533
  191    HB   THR  50           HB       THR  50 -10.274   5.361  -0.366
  192    HG1  THR  50           HG1      THR  50 -12.439   6.939   0.515
  193   1HG2  THR  50          1HG2      THR  50 -10.071   8.316   0.239
  194   2HG2  THR  50          3HG2      THR  50  -9.266   7.037   1.142
  195   3HG2  THR  50          2HG2      THR  50  -8.841   7.325  -0.545
  196    H    LEU  51           HN       LEU  51 -10.347   4.669  -2.676
  197    HA   LEU  51           HA       LEU  51  -8.015   5.969  -3.760
  198   1HB   LEU  51           HB2      LEU  51  -8.954   3.114  -4.013
  199   2HB   LEU  51           HB1      LEU  51  -7.363   3.710  -4.449
  200    HG   LEU  51           HG       LEU  51  -8.503   3.742  -1.655
  201   1HD1  LEU  51          3HD1      LEU  51  -8.090   1.468  -2.437
  202   2HD1  LEU  51          2HD1      LEU  51  -6.447   1.920  -2.893
  203   3HD1  LEU  51          1HD1      LEU  51  -6.929   1.941  -1.196
  204   1HD2  LEU  51          1HD2      LEU  51  -6.893   5.530  -2.100
  205   2HD2  LEU  51          3HD2      LEU  51  -6.241   4.328  -0.985
  206   3HD2  LEU  51          2HD2      LEU  51  -5.728   4.335  -2.674
  207    H    LYS  52           HN       LYS  52 -10.834   4.289  -5.114
  208    HA   LYS  52           HA       LYS  52  -9.968   5.016  -7.801
  209   1HB   LYS  52           HB2      LYS  52 -10.743   2.732  -7.425
  210   2HB   LYS  52           HB1      LYS  52 -12.284   3.333  -6.832
  211   1HG   LYS  52           HG2      LYS  52 -11.883   4.441  -9.397
  212   2HG   LYS  52           HG1      LYS  52 -11.504   2.715  -9.494
  213   1HD   LYS  52           HD2      LYS  52 -13.649   2.135  -8.583
  214   2HD   LYS  52           HD1      LYS  52 -14.010   3.823  -8.226
  215   1HE   LYS  52           HE2      LYS  52 -13.941   4.301 -10.655
  216   2HE   LYS  52           HE1      LYS  52 -13.716   2.577 -10.953
  217   1HZ   LYS  52           HZ1      LYS  52 -16.044   3.723  -9.505
  218   2HZ   LYS  52           HZ3      LYS  52 -16.049   3.347 -11.158
  219   3HZ   LYS  52           HZ2      LYS  52 -15.849   2.113 -10.009
  220    H    GLY  53           HN       GLY  53 -11.713   6.393  -5.349
  221   1HA   GLY  53           HA1      GLY  53 -13.729   7.545  -5.203
  222   2HA   GLY  53           HA2      GLY  53 -14.007   7.230  -6.906
  223    H    ASP  54           HN       ASP  54 -10.924   8.389  -6.684
  224    HA   ASP  54           HA       ASP  54 -11.929  11.027  -7.441
  225   1HB   ASP  54           HB2      ASP  54 -10.977  11.156  -5.148
  226   2HB   ASP  54           HB1      ASP  54  -9.423  10.641  -5.804
  227    H    GLY  55           HN       GLY  55  -8.764   9.330  -7.360
  228   1HA   GLY  55           HA1      GLY  55  -7.849  10.816  -9.592
  229   2HA   GLY  55           HA2      GLY  55  -8.337   9.197 -10.078
  230    HA   PRO  56           HA       PRO  56  -3.978   8.712  -9.126
  231   1HB   PRO  56           HB2      PRO  56  -2.605  10.872  -8.066
  232   2HB   PRO  56           HB1      PRO  56  -2.832  10.574  -9.796
  233   1HG   PRO  56           HG2      PRO  56  -4.340  12.388  -7.969
  234   2HG   PRO  56           HG1      PRO  56  -3.838  12.650  -9.650
  235   1HD   PRO  56           HD2      PRO  56  -6.375  11.995  -9.002
  236   2HD   PRO  56           HD1      PRO  56  -5.612  11.431 -10.503
  237    H    PHE  57           HN       PHE  57  -3.769   7.323  -7.531
  238    HA   PHE  57           HA       PHE  57  -3.229   8.322  -4.877
  239   1HB   PHE  57           HB2      PHE  57  -5.569   6.604  -5.520
  240   2HB   PHE  57           HB1      PHE  57  -4.683   6.284  -4.026
  241    HD1  PHE  57           HD1      PHE  57  -3.934   8.605  -2.867
  242    HD2  PHE  57           HD2      PHE  57  -7.403   7.958  -5.241
  243    HE1  PHE  57           HE1      PHE  57  -5.023  10.510  -1.777
  244    HE2  PHE  57           HE2      PHE  57  -8.514   9.861  -4.161
  245    HZ   PHE  57           HZ       PHE  57  -7.327  11.146  -2.415
  246    H    THR  58           HN       THR  58  -1.751   7.210  -3.809
  247    HA   THR  58           HA       THR  58  -0.631   4.873  -5.208
  248    HB   THR  58           HB       THR  58   0.920   6.551  -5.611
  249    HG1  THR  58           HG1      THR  58   1.909   5.622  -3.118
  250   1HG2  THR  58          1HG2      THR  58  -0.247   8.171  -4.047
  251   2HG2  THR  58          3HG2      THR  58   0.784   7.523  -2.767
  252   3HG2  THR  58          2HG2      THR  58   1.511   8.323  -4.160
  253    H    VAL  59           HN       VAL  59  -0.575   3.069  -4.064
  254    HA   VAL  59           HA       VAL  59  -0.478   3.251  -1.131
  255    HB   VAL  59           HB       VAL  59  -1.944   1.255  -1.001
  256   1HG1  VAL  59          1HG1      VAL  59  -2.881   3.473  -0.661
  257   2HG1  VAL  59          3HG1      VAL  59  -3.169   3.632  -2.395
  258   3HG1  VAL  59          2HG1      VAL  59  -4.048   2.420  -1.461
  259   1HG2  VAL  59          2HG2      VAL  59  -2.361   1.747  -3.948
  260   2HG2  VAL  59          1HG2      VAL  59  -1.565   0.348  -3.224
  261   3HG2  VAL  59          3HG2      VAL  59  -3.287   0.621  -2.955
  262    H    PHE  60           HN       PHE  60   0.876   1.834  -0.118
  263    HA   PHE  60           HA       PHE  60   2.702   0.318  -1.782
  264   1HB   PHE  60           HB2      PHE  60   2.488   0.239   1.237
  265   2HB   PHE  60           HB1      PHE  60   3.873  -0.209   0.251
  266    HD1  PHE  60           HD1      PHE  60   4.953   1.677  -1.134
  267    HD2  PHE  60           HD2      PHE  60   2.334   2.320   2.152
  268    HE1  PHE  60           HE1      PHE  60   5.872   3.935  -0.865
  269    HE2  PHE  60           HE2      PHE  60   3.227   4.582   2.448
  270    HZ   PHE  60           HZ       PHE  60   5.007   5.407   0.931
  271    H    ALA  61           HN       ALA  61   1.474  -1.301  -2.728
  272    HA   ALA  61           HA       ALA  61  -0.055  -3.071  -0.991
  273   1HB   ALA  61           HB3      ALA  61   0.290  -3.120  -3.987
  274   2HB   ALA  61           HB2      ALA  61  -0.851  -4.087  -3.051
  275   3HB   ALA  61           HB1      ALA  61  -1.030  -2.332  -3.124
  276    HA   PRO  62           HA       PRO  62   3.637  -5.622  -0.950
  277   1HB   PRO  62           HB2      PRO  62   2.935  -7.165   1.142
  278   2HB   PRO  62           HB1      PRO  62   3.555  -5.524   1.337
  279   1HG   PRO  62           HG2      PRO  62   0.768  -6.534   1.557
  280   2HG   PRO  62           HG1      PRO  62   1.556  -5.214   2.433
  281   1HD   PRO  62           HD2      PRO  62  -0.174  -4.936   0.257
  282   2HD   PRO  62           HD1      PRO  62   0.921  -3.687   0.881
  283    H    THR  63           HN       THR  63   4.099  -7.670  -1.685
  284    HA   THR  63           HA       THR  63   1.897  -8.873  -3.140
  285    HB   THR  63           HB       THR  63   4.092  -8.608  -4.232
  286    HG1  THR  63           HG1      THR  63   3.652 -10.350  -5.361
  287   1HG2  THR  63          1HG2      THR  63   5.027 -10.673  -2.239
  288   2HG2  THR  63          3HG2      THR  63   5.947 -10.101  -3.630
  289   3HG2  THR  63          2HG2      THR  63   5.548  -8.990  -2.320
  290    H    ASP  64           HN       ASP  64   1.834 -11.349  -3.202
  291    HA   ASP  64           HA       ASP  64   1.017 -12.331  -0.699
  292   1HB   ASP  64           HB2      ASP  64   0.132 -13.251  -2.759
  293   2HB   ASP  64           HB1      ASP  64   1.733 -13.778  -3.260
  294    H    ALA  65           HN       ALA  65   4.073 -12.389  -2.358
  295    HA   ALA  65           HA       ALA  65   5.310 -14.316  -0.627
  296   1HB   ALA  65           HB2      ALA  65   7.385 -13.682  -1.764
  297   2HB   ALA  65           HB1      ALA  65   6.090 -14.025  -2.911
  298   3HB   ALA  65           HB3      ALA  65   6.538 -12.355  -2.560
  299    H    ALA  66           HN       ALA  66   4.545 -11.017  -0.353
  300    HA   ALA  66           HA       ALA  66   6.759 -10.254   1.322
  301   1HB   ALA  66           HB1      ALA  66   5.533  -8.172   1.661
  302   2HB   ALA  66           HB2      ALA  66   4.122  -8.861   0.861
  303   3HB   ALA  66           HB3      ALA  66   5.607  -8.588  -0.050
  304    H    PHE  67           HN       PHE  67   3.424 -11.272   1.785
  305    HA   PHE  67           HA       PHE  67   3.422 -11.043   4.612
  306   1HB   PHE  67           HB2      PHE  67   1.770 -12.717   2.721
  307   2HB   PHE  67           HB1      PHE  67   1.531 -12.725   4.465
  308    HD1  PHE  67           HD1      PHE  67   1.844 -10.242   1.689
  309    HD2  PHE  67           HD2      PHE  67  -0.103 -11.382   5.296
  310    HE1  PHE  67           HE1      PHE  67   0.367  -8.285   1.506
  311    HE2  PHE  67           HE2      PHE  67  -1.589  -9.433   5.119
  312    HZ   PHE  67           HZ       PHE  67  -1.348  -7.873   3.225
  313    H    ALA  68           HN       ALA  68   4.599 -13.382   2.356
  314    HA   ALA  68           HA       ALA  68   5.107 -15.426   4.312
  315   1HB   ALA  68           HB1      ALA  68   4.716 -15.981   1.951
  316   2HB   ALA  68           HB2      ALA  68   6.274 -16.579   2.518
  317   3HB   ALA  68           HB3      ALA  68   6.198 -15.132   1.513
  318    H    ALA  69           HN       ALA  69   6.584 -12.517   3.410
  319    HA   ALA  69           HA       ALA  69   9.273 -13.203   4.119
  320   1HB   ALA  69           HB3      ALA  69   7.956 -10.499   3.887
  321   2HB   ALA  69           HB2      ALA  69   9.687 -10.788   4.060
  322   3HB   ALA  69           HB1      ALA  69   8.840 -11.341   2.615
  323    H    LEU  70           HN       LEU  70   6.584 -11.487   5.776
  324    HA   LEU  70           HA       LEU  70   7.920 -12.280   8.278
  325   1HB   LEU  70           HB2      LEU  70   6.621 -10.411   9.366
  326   2HB   LEU  70           HB1      LEU  70   7.950  -9.940   8.333
  327    HG   LEU  70           HG       LEU  70   5.108  -9.925   7.318
  328   1HD1  LEU  70          3HD1      LEU  70   5.193  -8.565   9.356
  329   2HD1  LEU  70          2HD1      LEU  70   6.591  -7.697   8.722
  330   3HD1  LEU  70          1HD1      LEU  70   5.027  -7.554   7.920
  331   1HD2  LEU  70          2HD2      LEU  70   6.942  -9.748   5.675
  332   2HD2  LEU  70          1HD2      LEU  70   5.994  -8.264   5.775
  333   3HD2  LEU  70          3HD2      LEU  70   7.574  -8.355   6.552
  334    HA   PRO  71           HA       PRO  71   3.913 -14.479   8.076
  335   1HB   PRO  71           HB2      PRO  71   4.790 -16.972   7.848
  336   2HB   PRO  71           HB1      PRO  71   4.873 -15.865   6.472
  337   1HG   PRO  71           HG2      PRO  71   7.043 -16.815   8.270
  338   2HG   PRO  71           HG1      PRO  71   7.106 -16.402   6.548
  339   1HD   PRO  71           HD2      PRO  71   7.841 -14.746   8.737
  340   2HD   PRO  71           HD1      PRO  71   7.726 -14.278   7.030
  341    H    GLU  72           HN       GLU  72   6.178 -14.062  10.382
  342    HA   GLU  72           HA       GLU  72   5.892 -16.179  12.173
  343   1HB   GLU  72           HB2      GLU  72   7.595 -14.425  12.410
  344   2HB   GLU  72           HB1      GLU  72   6.343 -13.251  12.786
  345   1HG   GLU  72           HG2      GLU  72   5.796 -14.460  14.820
  346   2HG   GLU  72           HG1      GLU  72   7.013 -15.677  14.435
  347    H    GLY  73           HN       GLY  73   4.243 -13.022  12.371
  348   1HA   GLY  73           HA1      GLY  73   2.385 -13.274  14.217
  349   2HA   GLY  73           HA2      GLY  73   1.771 -14.442  13.058
  350    H    THR  74           HN       THR  74   3.313 -11.928  11.447
  351    HA   THR  74           HA       THR  74   1.299  -9.922  11.620
  352    HB   THR  74           HB       THR  74   3.590 -10.329   9.684
  353    HG1  THR  74           HG1      THR  74   3.237  -8.960  12.128
  354   1HG2  THR  74          1HG2      THR  74   1.839  -8.954   8.653
  355   2HG2  THR  74          3HG2      THR  74   1.869  -7.874  10.050
  356   3HG2  THR  74          2HG2      THR  74   3.287  -8.016   9.007
  357    H    VAL  75           HN       VAL  75   2.073 -12.489   9.320
  358    HA   VAL  75           HA       VAL  75   0.091 -11.705   7.457
  359    HB   VAL  75           HB       VAL  75   1.956 -13.179   6.788
  360   1HG1  VAL  75          2HG1      VAL  75   2.144 -14.491   8.842
  361   2HG1  VAL  75          1HG1      VAL  75   0.606 -15.275   8.486
  362   3HG1  VAL  75          3HG1      VAL  75   1.992 -15.532   7.427
  363   1HG2  VAL  75          3HG2      VAL  75  -0.766 -14.440   6.470
  364   2HG2  VAL  75          2HG2      VAL  75  -0.049 -13.209   5.431
  365   3HG2  VAL  75          1HG2      VAL  75   0.652 -14.825   5.496
  366    H    GLU  76           HN       GLU  76   0.134 -13.670  10.334
  367    HA   GLU  76           HA       GLU  76  -2.455 -14.761  10.006
  368   1HB   GLU  76           HB2      GLU  76  -0.732 -15.634  11.606
  369   2HB   GLU  76           HB1      GLU  76  -0.976 -14.200  12.590
  370   1HG   GLU  76           HG2      GLU  76  -2.191 -16.010  13.560
  371   2HG   GLU  76           HG1      GLU  76  -3.345 -14.861  12.883
  372    H    ASP  77           HN       ASP  77  -1.206 -11.919  11.748
  373    HA   ASP  77           HA       ASP  77  -3.636 -10.903  12.660
  374   1HB   ASP  77           HB2      ASP  77  -1.130  -9.455  11.821
  375   2HB   ASP  77           HB1      ASP  77  -2.512  -8.643  12.544
  376    H    LEU  78           HN       LEU  78  -1.938 -10.342   9.623
  377    HA   LEU  78           HA       LEU  78  -3.965  -8.615   8.601
  378   1HB   LEU  78           HB2      LEU  78  -1.399  -9.690   7.577
  379   2HB   LEU  78           HB1      LEU  78  -2.560  -9.080   6.415
  380    HG   LEU  78           HG       LEU  78  -2.552  -6.891   7.505
  381   1HD1  LEU  78          1HD1      LEU  78  -0.499  -8.085   9.361
  382   2HD1  LEU  78          3HD1      LEU  78  -0.932  -6.377   9.269
  383   3HD1  LEU  78          2HD1      LEU  78  -2.127  -7.562   9.795
  384   1HD2  LEU  78          2HD2      LEU  78   0.215  -7.917   6.893
  385   2HD2  LEU  78          1HD2      LEU  78  -0.953  -7.297   5.724
  386   3HD2  LEU  78          3HD2      LEU  78  -0.267  -6.221   6.942
  387    H    LEU  79           HN       LEU  79  -3.747 -11.939   8.865
  388    HA   LEU  79           HA       LEU  79  -5.477 -12.408   6.570
  389   1HB   LEU  79           HB2      LEU  79  -3.616 -13.980   7.147
  390   2HB   LEU  79           HB1      LEU  79  -4.488 -14.393   8.609
  391    HG   LEU  79           HG       LEU  79  -6.342 -15.280   7.254
  392   1HD1  LEU  79          1HD1      LEU  79  -4.545 -14.638   4.916
  393   2HD1  LEU  79          3HD1      LEU  79  -6.037 -15.576   4.839
  394   3HD1  LEU  79          2HD1      LEU  79  -6.089 -13.871   5.287
  395   1HD2  LEU  79          3HD2      LEU  79  -3.628 -16.397   6.549
  396   2HD2  LEU  79          2HD2      LEU  79  -4.568 -16.774   7.994
  397   3HD2  LEU  79          1HD2      LEU  79  -5.163 -17.254   6.405
  398    H    LYS  80           HN       LYS  80  -5.583 -11.886   9.949
  399    HA   LYS  80           HA       LYS  80  -8.117 -13.077  10.499
  400   1HB   LYS  80           HB2      LYS  80  -6.539 -10.940  11.945
  401   2HB   LYS  80           HB1      LYS  80  -8.051 -11.604  12.544
  402   1HG   LYS  80           HG2      LYS  80  -5.600 -13.255  11.993
  403   2HG   LYS  80           HG1      LYS  80  -5.999 -12.570  13.568
  404   1HD   LYS  80           HD2      LYS  80  -8.068 -13.829  13.623
  405   2HD   LYS  80           HD1      LYS  80  -7.753 -14.459  12.004
  406   1HE   LYS  80           HE2      LYS  80  -5.778 -15.611  12.812
  407   2HE   LYS  80           HE1      LYS  80  -6.012 -14.930  14.422
  408   1HZ   LYS  80           HZ3      LYS  80  -7.994 -16.677  13.072
  409   2HZ   LYS  80           HZ2      LYS  80  -6.815 -17.254  14.145
  410   3HZ   LYS  80           HZ1      LYS  80  -8.005 -16.172  14.691
  411    HA   PRO  81           HA       PRO  81 -10.821 -10.130   8.553
  412   1HB   PRO  81           HB2      PRO  81 -12.588 -10.714  10.876
  413   2HB   PRO  81           HB1      PRO  81 -12.936 -10.812   9.147
  414   1HG   PRO  81           HG2      PRO  81 -12.562 -13.025  10.573
  415   2HG   PRO  81           HG1      PRO  81 -11.918 -12.889   8.924
  416   1HD   PRO  81           HD2      PRO  81 -10.493 -12.666  11.544
  417   2HD   PRO  81           HD1      PRO  81  -9.957 -13.420  10.029
  418    H    GLU  82           HN       GLU  82  -9.675  -9.912  11.755
  419    HA   GLU  82           HA       GLU  82 -10.950  -7.583  12.674
  420   1HB   GLU  82           HB2      GLU  82  -8.169  -8.423  13.460
  421   2HB   GLU  82           HB1      GLU  82  -9.387  -7.624  14.444
  422   1HG   GLU  82           HG2      GLU  82  -9.486 -10.466  13.462
  423   2HG   GLU  82           HG1      GLU  82  -9.103  -9.941  15.101
  424    H    ASN  83           HN       ASN  83  -8.187  -8.074  10.576
  425    HA   ASN  83           HA       ASN  83  -6.999  -5.546  11.177
  426   1HB   ASN  83           HB2      ASN  83  -5.263  -6.106   9.746
  427   2HB   ASN  83           HB1      ASN  83  -5.817  -7.677  10.303
  428   1HD2  ASN  83          1HD2      ASN  83  -6.904  -9.029   8.880
  429   2HD2  ASN  83          2HD2      ASN  83  -6.866  -8.771   7.165
  430    H    LYS  84           HN       LYS  84  -9.163  -6.686   8.606
  431    HA   LYS  84           HA       LYS  84  -8.748  -4.412   6.954
  432   1HB   LYS  84           HB2      LYS  84 -10.357  -5.261   5.536
  433   2HB   LYS  84           HB1      LYS  84  -9.865  -6.723   6.378
  434   1HG   LYS  84           HG2      LYS  84 -11.799  -6.616   7.803
  435   2HG   LYS  84           HG1      LYS  84 -12.257  -5.054   7.122
  436   1HD   LYS  84           HD2      LYS  84 -12.413  -6.216   4.886
  437   2HD   LYS  84           HD1      LYS  84 -12.253  -7.741   5.764
  438   1HE   LYS  84           HE2      LYS  84 -14.435  -5.678   6.043
  439   2HE   LYS  84           HE1      LYS  84 -14.585  -7.319   5.419
  440   1HZ   LYS  84           HZ1      LYS  84 -13.949  -8.129   7.647
  441   2HZ   LYS  84           HZ3      LYS  84 -13.975  -6.527   8.214
  442   3HZ   LYS  84           HZ2      LYS  84 -15.401  -7.248   7.653
  443    H    GLU  85           HN       GLU  85 -10.693  -5.031   9.734
  444    HA   GLU  85           HA       GLU  85 -12.513  -2.864   9.449
  445   1HB   GLU  85           HB2      GLU  85 -11.573  -4.140  12.026
  446   2HB   GLU  85           HB1      GLU  85 -13.069  -3.256  11.764
  447   1HG   GLU  85           HG2      GLU  85 -12.364  -5.883  10.479
  448   2HG   GLU  85           HG1      GLU  85 -13.401  -5.685  11.891
  449    H    LYS  86           HN       LYS  86  -9.361  -3.273  10.979
  450    HA   LYS  86           HA       LYS  86  -9.356  -0.551  11.918
  451   1HB   LYS  86           HB2      LYS  86  -7.252  -0.988  12.894
  452   2HB   LYS  86           HB1      LYS  86  -8.191  -2.454  13.111
  453   1HG   LYS  86           HG2      LYS  86  -7.017  -3.485  11.237
  454   2HG   LYS  86           HG1      LYS  86  -6.079  -2.007  11.016
  455   1HD   LYS  86           HD2      LYS  86  -6.052  -3.845  13.408
  456   2HD   LYS  86           HD1      LYS  86  -4.750  -3.586  12.247
  457   1HE   LYS  86           HE2      LYS  86  -5.829  -1.644  14.281
  458   2HE   LYS  86           HE1      LYS  86  -4.215  -2.347  14.214
  459   1HZ   LYS  86           HZ2      LYS  86  -3.988  -1.168  12.008
  460   2HZ   LYS  86           HZ1      LYS  86  -5.388  -0.310  12.420
  461   3HZ   LYS  86           HZ3      LYS  86  -4.007  -0.180  13.388
  462    H    LEU  87           HN       LEU  87  -8.310  -2.290   9.094
  463    HA   LEU  87           HA       LEU  87  -6.645  -0.338   7.951
  464   1HB   LEU  87           HB2      LEU  87  -8.538  -2.299   6.657
  465   2HB   LEU  87           HB1      LEU  87  -7.457  -1.266   5.744
  466    HG   LEU  87           HG       LEU  87  -6.651  -3.429   7.688
  467   1HD1  LEU  87          1HD1      LEU  87  -7.475  -4.266   5.552
  468   2HD1  LEU  87          3HD1      LEU  87  -6.353  -3.209   4.696
  469   3HD1  LEU  87          2HD1      LEU  87  -5.736  -4.518   5.704
  470   1HD2  LEU  87          1HD2      LEU  87  -5.119  -1.510   7.775
  471   2HD2  LEU  87          3HD2      LEU  87  -4.362  -2.932   7.057
  472   3HD2  LEU  87          2HD2      LEU  87  -4.911  -1.611   6.025
  473    H    THR  88           HN       THR  88 -10.154  -0.665   8.066
  474    HA   THR  88           HA       THR  88 -10.924   1.483   6.496
  475    HB   THR  88           HB       THR  88 -12.094   0.502   9.106
  476    HG1  THR  88           HG1      THR  88 -12.872   0.027   6.398
  477   1HG2  THR  88          3HG2      THR  88 -13.285   2.388   7.070
  478   2HG2  THR  88          2HG2      THR  88 -14.176   1.641   8.397
  479   3HG2  THR  88          1HG2      THR  88 -12.858   2.765   8.740
  480    H    GLU  89           HN       GLU  89  -9.824   1.432   9.851
  481    HA   GLU  89           HA       GLU  89 -10.112   4.242  10.282
  482   1HB   GLU  89           HB2      GLU  89 -10.212   2.866  12.196
  483   2HB   GLU  89           HB1      GLU  89  -8.749   2.000  11.754
  484   1HG   GLU  89           HG2      GLU  89  -7.439   4.042  12.179
  485   2HG   GLU  89           HG1      GLU  89  -8.925   4.847  12.698
  486    H    ILE  90           HN       ILE  90  -7.471   2.123   9.329
  487    HA   ILE  90           HA       ILE  90  -5.551   4.249   9.880
  488    HB   ILE  90           HB       ILE  90  -5.581   1.640  10.591
  489   1HG1  ILE  90          2HG1      ILE  90  -3.227   1.986  11.230
  490   2HG1  ILE  90          1HG1      ILE  90  -3.174   3.408  10.188
  491   1HG2  ILE  90          1HG2      ILE  90  -5.185   0.801   8.354
  492   2HG2  ILE  90          3HG2      ILE  90  -3.725   1.783   8.224
  493   3HG2  ILE  90          2HG2      ILE  90  -3.801   0.466   9.396
  494   1HD1  ILE  90          1HD1      ILE  90  -5.002   3.049  12.550
  495   2HD1  ILE  90          3HD1      ILE  90  -3.510   3.990  12.541
  496   3HD1  ILE  90          2HD1      ILE  90  -4.873   4.487  11.536
  497    H    LEU  91           HN       LEU  91  -7.243   3.393   7.280
  498    HA   LEU  91           HA       LEU  91  -5.560   2.770   5.207
  499   1HB   LEU  91           HB2      LEU  91  -7.216   3.499   3.727
  500   2HB   LEU  91           HB1      LEU  91  -8.087   3.025   5.169
  501    HG   LEU  91           HG       LEU  91  -7.408   5.890   4.492
  502   1HD1  LEU  91          3HD1      LEU  91  -9.970   4.372   4.032
  503   2HD1  LEU  91          2HD1      LEU  91  -9.753   6.111   3.824
  504   3HD1  LEU  91          1HD1      LEU  91  -8.877   4.983   2.789
  505   1HD2  LEU  91          3HD2      LEU  91  -7.799   5.488   6.869
  506   2HD2  LEU  91          2HD2      LEU  91  -9.111   6.428   6.161
  507   3HD2  LEU  91          1HD2      LEU  91  -9.337   4.710   6.491
  508    H    THR  92           HN       THR  92  -6.016   5.886   6.709
  509    HA   THR  92           HA       THR  92  -5.144   7.525   4.640
  510    HB   THR  92           HB       THR  92  -4.581   8.954   6.898
  511    HG1  THR  92           HG1      THR  92  -5.383   7.927   8.568
  512   1HG2  THR  92          3HG2      THR  92  -6.126   9.588   5.097
  513   2HG2  THR  92          2HG2      THR  92  -7.306   8.425   5.701
  514   3HG2  THR  92          1HG2      THR  92  -6.861   9.822   6.683
  515    H    TYR  93           HN       TYR  93  -3.236   5.681   6.935
  516    HA   TYR  93           HA       TYR  93  -0.846   7.250   6.310
  517   1HB   TYR  93           HB2      TYR  93  -1.406   6.527   8.659
  518   2HB   TYR  93           HB1      TYR  93  -1.068   4.874   8.166
  519    HD1  TYR  93           HD1      TYR  93   1.230   4.105   7.899
  520    HD2  TYR  93           HD2      TYR  93   0.392   8.186   8.813
  521    HE1  TYR  93           HE1      TYR  93   3.586   4.457   8.487
  522    HE2  TYR  93           HE2      TYR  93   2.755   8.540   9.395
  523    HH   TYR  93           HH       TYR  93   4.678   7.124  10.191
  524    H    HIS  94           HN       HIS  94  -2.496   4.680   5.063
  525    HA   HIS  94           HA       HIS  94  -0.084   3.405   3.958
  526   1HB   HIS  94           HB2      HIS  94  -1.640   1.883   5.122
  527   2HB   HIS  94           HB1      HIS  94  -2.942   2.402   4.062
  528    HD1  HIS  94           HD1      HIS  94  -3.302   1.028   2.043
  529    HD2  HIS  94           HD2      HIS  94   0.498   0.505   3.635
  530    HE1  HIS  94           HE1      HIS  94  -2.264  -0.826   0.705
  531    HE2  HIS  94           HE2      HIS  94   0.100  -0.998   1.567
  532    H    VAL  95           HN       VAL  95  -2.857   5.280   3.327
  533    HA   VAL  95           HA       VAL  95  -2.557   5.099   0.430
  534    HB   VAL  95           HB       VAL  95  -4.592   6.578   2.119
  535   1HG1  VAL  95          3HG1      VAL  95  -4.208   7.719  -0.003
  536   2HG1  VAL  95          2HG1      VAL  95  -4.472   6.209  -0.876
  537   3HG1  VAL  95          1HG1      VAL  95  -5.798   6.954   0.018
  538   1HG2  VAL  95          2HG2      VAL  95  -4.830   4.047   0.488
  539   2HG2  VAL  95          1HG2      VAL  95  -4.870   4.169   2.247
  540   3HG2  VAL  95          3HG2      VAL  95  -6.168   4.876   1.284
  541    H    VAL  96           HN       VAL  96  -1.253   6.450  -0.540
  542    HA   VAL  96           HA       VAL  96  -0.700   9.057   0.694
  543    HB   VAL  96           HB       VAL  96   0.868   7.494  -1.374
  544   1HG1  VAL  96          1HG1      VAL  96   1.088   9.892  -1.766
  545   2HG1  VAL  96          3HG1      VAL  96   1.531  10.135  -0.075
  546   3HG1  VAL  96          2HG1      VAL  96   2.592   9.214  -1.141
  547   1HG2  VAL  96          2HG2      VAL  96   0.993   6.557   0.879
  548   2HG2  VAL  96          1HG2      VAL  96   2.539   7.257   0.390
  549   3HG2  VAL  96          3HG2      VAL  96   1.489   8.127   1.507
  550    HA   PRO  97           HA       PRO  97  -3.320  10.971  -2.293
  551   1HB   PRO  97           HB2      PRO  97  -1.338  13.175  -2.288
  552   2HB   PRO  97           HB1      PRO  97  -3.074  13.213  -1.967
  553   1HG   PRO  97           HG2      PRO  97  -1.318  13.432   0.028
  554   2HG   PRO  97           HG1      PRO  97  -2.823  12.517   0.229
  555   1HD   PRO  97           HD2      PRO  97  -0.042  11.518  -0.204
  556   2HD   PRO  97           HD1      PRO  97  -1.332  10.860   0.824
  557    H    GLY  98           HN       GLY  98  -3.294  11.996  -4.412
  558   1HA   GLY  98           HA1      GLY  98  -2.905  11.678  -6.638
  559   2HA   GLY  98           HA2      GLY  98  -1.739  10.441  -6.209
  560    H    GLU  99           HN       GLU  99   0.361  11.141  -5.560
  561    HA   GLU  99           HA       GLU  99   1.222  13.408  -7.201
  562   1HB   GLU  99           HB2      GLU  99   1.149  13.914  -4.702
  563   2HB   GLU  99           HB1      GLU  99   2.444  12.738  -4.530
  564   1HG   GLU  99           HG2      GLU  99   3.457  14.874  -4.612
  565   2HG   GLU  99           HG1      GLU  99   3.771  14.098  -6.165
  566    H    VAL 100           HN       VAL 100   3.220  13.046  -8.231
  567    HA   VAL 100           HA       VAL 100   3.715  10.216  -8.579
  568    HB   VAL 100           HB       VAL 100   5.151  12.437 -10.020
  569   1HG1  VAL 100          2HG1      VAL 100   6.087  10.206 -10.250
  570   2HG1  VAL 100          1HG1      VAL 100   4.514   9.581 -10.746
  571   3HG1  VAL 100          3HG1      VAL 100   5.365  10.737 -11.771
  572   1HG2  VAL 100          1HG2      VAL 100   2.497  11.186 -10.726
  573   2HG2  VAL 100          3HG2      VAL 100   2.773  12.863 -10.257
  574   3HG2  VAL 100          2HG2      VAL 100   3.433  12.251 -11.773
  575    H    MET 101           HN       MET 101   5.520   9.125  -8.066
  576    HA   MET 101           HA       MET 101   7.091  10.322  -5.963
  577   1HB   MET 101           HB2      MET 101   7.748   8.124  -5.367
  578   2HB   MET 101           HB1      MET 101   6.046   8.045  -5.788
  579   1HG   MET 101           HG2      MET 101   6.734   6.214  -6.895
  580   2HG   MET 101           HG1      MET 101   7.075   7.399  -8.155
  581   1HE   MET 101           HE2      MET 101   9.049   6.847  -4.787
  582   2HE   MET 101           HE1      MET 101   8.621   5.202  -5.261
  583   3HE   MET 101           HE3      MET 101  10.308   5.722  -5.302
  584    H    SER 102           HN       SER 102   9.432   9.259  -5.928
  585    HA   SER 102           HA       SER 102  11.027  10.963  -7.301
  586   1HB   SER 102           HB2      SER 102  11.750   8.220  -6.278
  587   2HB   SER 102           HB1      SER 102  12.887   9.527  -6.609
  588    HG   SER 102           HG       SER 102  11.953  10.736  -4.978
  589    H    SER 103           HN       SER 103   9.799   7.949  -8.605
  590    HA   SER 103           HA       SER 103  11.680   7.548 -10.646
  591   1HB   SER 103           HB2      SER 103   8.714   6.942 -10.652
  592   2HB   SER 103           HB1      SER 103   9.889   6.280 -11.787
  593    HG   SER 103           HG       SER 103  10.895   5.219 -10.088
  594    H    ASP 104           HN       ASP 104   9.424  10.048 -10.205
  595    HA   ASP 104           HA       ASP 104   9.603  10.849 -13.035
  596   1HB   ASP 104           HB2      ASP 104   7.326  10.699 -12.058
  597   2HB   ASP 104           HB1      ASP 104   7.790  11.884 -10.839
  598    H    LEU 105           HN       LEU 105   9.776  12.095  -9.741
  599    HA   LEU 105           HA       LEU 105  10.971  14.559 -10.558
  600   1HB   LEU 105           HB2      LEU 105   9.356  14.364  -8.707
  601   2HB   LEU 105           HB1      LEU 105  10.493  13.366  -7.826
  602    HG   LEU 105           HG       LEU 105  12.069  15.338  -7.913
  603   1HD1  LEU 105          1HD1      LEU 105  10.953  16.557  -9.699
  604   2HD1  LEU 105          3HD1      LEU 105   9.530  16.761  -8.678
  605   3HD1  LEU 105          2HD1      LEU 105  11.053  17.532  -8.232
  606   1HD2  LEU 105          2HD2      LEU 105  10.875  14.663  -5.899
  607   2HD2  LEU 105          1HD2      LEU 105  10.998  16.421  -6.001
  608   3HD2  LEU 105          3HD2      LEU 105   9.480  15.617  -6.402
  609    H    THR 106           HN       THR 106  12.224  13.044  -7.712
  610    HA   THR 106           HA       THR 106  14.576  11.947  -8.958
  611    HB   THR 106           HB       THR 106  15.882  13.466  -7.120
  612    HG1  THR 106           HG1      THR 106  14.188  15.359  -8.381
  613   1HG2  THR 106          2HG2      THR 106  15.383  14.170 -10.012
  614   2HG2  THR 106          1HG2      THR 106  16.694  14.807  -9.019
  615   3HG2  THR 106          3HG2      THR 106  16.630  13.085  -9.394
  616    H    GLU 107           HN       GLU 107  15.794  10.652  -7.515
  617    HA   GLU 107           HA       GLU 107  14.156   9.559  -5.416
  618   1HB   GLU 107           HB2      GLU 107  16.038   7.914  -5.171
  619   2HB   GLU 107           HB1      GLU 107  15.289   7.959  -6.757
  620   1HG   GLU 107           HG2      GLU 107  17.828   9.437  -6.128
  621   2HG   GLU 107           HG1      GLU 107  17.808   7.764  -6.682
  622    H    GLY 108           HN       GLY 108  14.343   9.822  -3.296
  623   1HA   GLY 108           HA1      GLY 108  16.640  11.389  -2.307
  624   2HA   GLY 108           HA2      GLY 108  15.722  10.246  -1.334
  625    H    MET 109           HN       MET 109  13.228  10.809  -1.466
  626    HA   MET 109           HA       MET 109  13.031  13.569  -0.527
  627   1HB   MET 109           HB2      MET 109  11.156  14.139  -1.856
  628   2HB   MET 109           HB1      MET 109  12.323  13.451  -2.973
  629   1HG   MET 109           HG2      MET 109  11.111  11.337  -2.951
  630   2HG   MET 109           HG1      MET 109   9.951  12.010  -1.806
  631   1HE   MET 109           HE3      MET 109   8.799  10.669  -4.249
  632   2HE   MET 109           HE2      MET 109   7.752  11.646  -3.214
  633   3HE   MET 109           HE1      MET 109   7.714  11.860  -4.971
  634    H    THR 110           HN       THR 110  10.798  13.894   0.513
  635    HA   THR 110           HA       THR 110  10.009  11.370   1.802
  636    HB   THR 110           HB       THR 110   9.121  12.875   3.660
  637    HG1  THR 110           HG1      THR 110  10.774  14.764   2.283
  638   1HG2  THR 110          1HG2      THR 110  12.096  12.812   3.150
  639   2HG2  THR 110          3HG2      THR 110  11.335  13.124   4.710
  640   3HG2  THR 110          2HG2      THR 110  11.143  11.551   3.934
  641    H    ALA 111           HN       ALA 111   8.099  10.662   1.582
  642    HA   ALA 111           HA       ALA 111   6.193  12.234   0.013
  643   1HB   ALA 111           HB2      ALA 111   6.341   9.269   0.522
  644   2HB   ALA 111           HB3      ALA 111   6.962  10.099  -0.902
  645   3HB   ALA 111           HB1      ALA 111   5.226  10.082  -0.582
  646    H    GLU 112           HN       GLU 112   4.113  12.574   0.720
  647    HA   GLU 112           HA       GLU 112   3.795  12.181   3.617
  648   1HB   GLU 112           HB2      GLU 112   3.807  14.497   2.767
  649   2HB   GLU 112           HB1      GLU 112   2.402  14.128   1.777
  650   1HG   GLU 112           HG2      GLU 112   1.148  13.602   3.852
  651   2HG   GLU 112           HG1      GLU 112   2.544  14.153   4.780
  652    H    THR 113           HN       THR 113   2.241  10.950   4.429
  653    HA   THR 113           HA       THR 113   0.373   9.574   2.708
  654    HB   THR 113           HB       THR 113  -0.320   8.390   4.713
  655    HG1  THR 113           HG1      THR 113   1.142   9.209   6.656
  656   1HG2  THR 113          1HG2      THR 113   1.819   7.721   3.680
  657   2HG2  THR 113          3HG2      THR 113   2.666   8.810   4.781
  658   3HG2  THR 113          2HG2      THR 113   1.785   7.418   5.417
  659    H    VAL 114           HN       VAL 114  -1.952   9.632   3.032
  660    HA   VAL 114           HA       VAL 114  -3.049  12.218   3.172
  661    HB   VAL 114           HB       VAL 114  -4.484   9.577   3.533
  662   1HG1  VAL 114          2HG1      VAL 114  -5.557  12.291   2.766
  663   2HG1  VAL 114          1HG1      VAL 114  -6.479  10.788   2.781
  664   3HG1  VAL 114          3HG1      VAL 114  -5.844  11.448   4.288
  665   1HG2  VAL 114          2HG2      VAL 114  -3.980  11.209   1.049
  666   2HG2  VAL 114          1HG2      VAL 114  -3.260   9.647   1.440
  667   3HG2  VAL 114          3HG2      VAL 114  -4.993   9.768   1.140
  668    H    GLU 115           HN       GLU 115  -2.676   9.709   5.604
  669    HA   GLU 115           HA       GLU 115  -4.150  10.803   7.711
  670   1HB   GLU 115           HB2      GLU 115  -2.999   8.581   7.741
  671   2HB   GLU 115           HB1      GLU 115  -1.462   9.416   7.913
  672   1HG   GLU 115           HG2      GLU 115  -2.222   8.581  10.046
  673   2HG   GLU 115           HG1      GLU 115  -2.209  10.344  10.047
  674    H    GLY 116           HN       GLY 116  -0.857  11.400   6.647
  675   1HA   GLY 116           HA1      GLY 116  -0.927  13.966   8.110
  676   2HA   GLY 116           HA2      GLY 116  -0.332  13.824   6.459
  677    H    GLY 117           HN       GLY 117   1.286  11.783   6.390
  678   1HA   GLY 117           HA1      GLY 117   2.895  10.784   8.185
  679   2HA   GLY 117           HA2      GLY 117   3.351  12.469   8.379
  680    H    ALA 118           HN       ALA 118   5.382  12.503   7.607
  681    HA   ALA 118           HA       ALA 118   5.685  11.975   4.744
  682   1HB   ALA 118           HB3      ALA 118   6.315  14.205   5.571
  683   2HB   ALA 118           HB1      ALA 118   7.685  13.349   4.863
  684   3HB   ALA 118           HB2      ALA 118   7.528  13.464   6.615
  685    H    LEU 119           HN       LEU 119   6.744  10.268   4.027
  686    HA   LEU 119           HA       LEU 119   8.352   8.712   5.936
  687   1HB   LEU 119           HB2      LEU 119   6.967   7.828   3.402
  688   2HB   LEU 119           HB1      LEU 119   7.914   6.792   4.451
  689    HG   LEU 119           HG       LEU 119   5.336   8.173   5.205
  690   1HD1  LEU 119          1HD1      LEU 119   5.021   6.332   3.627
  691   2HD1  LEU 119          3HD1      LEU 119   5.935   5.265   4.691
  692   3HD1  LEU 119          2HD1      LEU 119   4.392   5.930   5.224
  693   1HD2  LEU 119          2HD2      LEU 119   6.848   7.953   7.105
  694   2HD2  LEU 119          1HD2      LEU 119   5.479   6.851   7.255
  695   3HD2  LEU 119          3HD2      LEU 119   7.053   6.238   6.751
  696    H    THR 120           HN       THR 120  10.118   7.442   4.926
  697    HA   THR 120           HA       THR 120  11.821   9.184   3.372
  698    HB   THR 120           HB       THR 120  12.161   6.542   4.770
  699    HG1  THR 120           HG1      THR 120  12.700   7.926   6.263
  700   1HG2  THR 120          2HG2      THR 120  14.145   7.840   2.908
  701   2HG2  THR 120          1HG2      THR 120  14.575   6.615   4.106
  702   3HG2  THR 120          3HG2      THR 120  13.458   6.214   2.802
  703    H    VAL 121           HN       VAL 121  11.990   9.093   1.183
  704    HA   VAL 121           HA       VAL 121  11.398   6.525  -0.137
  705    HB   VAL 121           HB       VAL 121  10.544   9.251  -1.140
  706   1HG1  VAL 121          1HG1      VAL 121  10.153   6.505  -2.331
  707   2HG1  VAL 121          3HG1      VAL 121   9.448   8.001  -2.946
  708   3HG1  VAL 121          2HG1      VAL 121  11.199   7.779  -2.964
  709   1HG2  VAL 121          3HG2      VAL 121   9.159   8.421   0.707
  710   2HG2  VAL 121          2HG2      VAL 121   8.269   8.450  -0.815
  711   3HG2  VAL 121          1HG2      VAL 121   8.882   6.921  -0.180
  712    H    THR 122           HN       THR 122  13.341   5.878  -0.808
  713    HA   THR 122           HA       THR 122  14.846   7.660  -2.580
  714    HB   THR 122           HB       THR 122  16.100   6.079  -0.319
  715    HG1  THR 122           HG1      THR 122  16.652   8.235   0.422
  716   1HG2  THR 122          2HG2      THR 122  17.528   6.165  -2.312
  717   2HG2  THR 122          1HG2      THR 122  17.360   7.920  -2.361
  718   3HG2  THR 122          3HG2      THR 122  18.196   7.151  -1.011
  719    H    LEU 123           HN       LEU 123  15.604   6.637  -4.360
  720    HA   LEU 123           HA       LEU 123  15.192   3.741  -4.558
  721   1HB   LEU 123           HB2      LEU 123  15.435   5.908  -6.632
  722   2HB   LEU 123           HB1      LEU 123  15.508   4.209  -7.048
  723    HG   LEU 123           HG       LEU 123  13.227   3.963  -6.000
  724   1HD1  LEU 123          1HD1      LEU 123  13.315   6.973  -6.081
  725   2HD1  LEU 123          3HD1      LEU 123  11.862   6.004  -5.834
  726   3HD1  LEU 123          2HD1      LEU 123  13.163   5.961  -4.645
  727   1HD2  LEU 123          3HD2      LEU 123  13.564   4.028  -8.407
  728   2HD2  LEU 123          2HD2      LEU 123  12.068   4.848  -7.960
  729   3HD2  LEU 123          1HD2      LEU 123  13.498   5.790  -8.379
  730    H    GLU 124           HN       GLU 124  17.636   6.211  -4.860
  731    HA   GLU 124           HA       GLU 124  19.628   4.573  -6.053
  732   1HB   GLU 124           HB2      GLU 124  19.698   7.026  -6.199
  733   2HB   GLU 124           HB1      GLU 124  19.928   7.128  -4.459
  734   1HG   GLU 124           HG2      GLU 124  22.064   6.000  -4.647
  735   2HG   GLU 124           HG1      GLU 124  21.830   5.811  -6.384
  736    H    GLY 125           HN       GLY 125  20.805   3.033  -5.153
  737   1HA   GLY 125           HA1      GLY 125  21.516   3.172  -2.331
  738   2HA   GLY 125           HA2      GLY 125  22.132   2.020  -3.509
  739    H    GLY 126           HN       GLY 126  18.938   2.001  -4.043
  740   1HA   GLY 126           HA1      GLY 126  18.407  -0.004  -1.949
  741   2HA   GLY 126           HA2      GLY 126  17.978  -0.289  -3.633
  742    HA   PRO 127           HA       PRO 127  14.517   2.518  -3.410
  743   1HB   PRO 127           HB2      PRO 127  12.609   0.745  -4.177
  744   2HB   PRO 127           HB1      PRO 127  13.725   1.520  -5.309
  745   1HG   PRO 127           HG2      PRO 127  13.857  -1.215  -4.102
  746   2HG   PRO 127           HG1      PRO 127  14.166  -0.713  -5.775
  747   1HD   PRO 127           HD2      PRO 127  16.158  -1.183  -4.001
  748   2HD   PRO 127           HD1      PRO 127  16.295   0.028  -5.292
  749    H    LYS 128           HN       LYS 128  14.400   2.903  -1.250
  750    HA   LYS 128           HA       LYS 128  12.987   0.912   0.394
  751   1HB   LYS 128           HB2      LYS 128  15.494   1.066   0.756
  752   2HB   LYS 128           HB1      LYS 128  15.222   2.695   1.355
  753   1HG   LYS 128           HG2      LYS 128  13.810   1.806   3.137
  754   2HG   LYS 128           HG1      LYS 128  14.079   0.170   2.533
  755   1HD   LYS 128           HD2      LYS 128  16.182   2.055   3.596
  756   2HD   LYS 128           HD1      LYS 128  15.550   0.625   4.412
  757   1HE   LYS 128           HE2      LYS 128  17.016   0.600   1.776
  758   2HE   LYS 128           HE1      LYS 128  17.755   0.260   3.339
  759   1HZ   LYS 128           HZ1      LYS 128  16.208  -1.607   3.593
  760   2HZ   LYS 128           HZ3      LYS 128  15.587  -1.305   2.044
  761   3HZ   LYS 128           HZ2      LYS 128  17.200  -1.782   2.225
  762    H    VAL 129           HN       VAL 129  11.391   1.654   1.641
  763    HA   VAL 129           HA       VAL 129  11.001   4.564   1.809
  764    HB   VAL 129           HB       VAL 129   8.922   2.412   1.396
  765   1HG1  VAL 129          3HG1      VAL 129   8.114   4.034   3.045
  766   2HG1  VAL 129          2HG1      VAL 129   8.514   5.358   1.948
  767   3HG1  VAL 129          1HG1      VAL 129   7.251   4.204   1.515
  768   1HG2  VAL 129          1HG2      VAL 129  10.082   3.169  -0.621
  769   2HG2  VAL 129          3HG2      VAL 129   8.393   3.680  -0.621
  770   3HG2  VAL 129          2HG2      VAL 129   9.666   4.840  -0.235
  771    H    ASN 130           HN       ASN 130  11.277   5.206   3.795
  772    HA   ASN 130           HA       ASN 130  11.209   5.414   6.056
  773   1HB   ASN 130           HB2      ASN 130   8.719   5.062   5.505
  774   2HB   ASN 130           HB1      ASN 130   8.944   3.426   6.118
  775   1HD2  ASN 130          1HD2      ASN 130   7.702   3.592   7.927
  776   2HD2  ASN 130          2HD2      ASN 130   8.057   4.654   9.244
  777    H    GLY 131           HN       GLY 131  12.542   2.958   4.708
  778   1HA   GLY 131           HA1      GLY 131  13.119   1.607   7.252
  779   2HA   GLY 131           HA2      GLY 131  14.168   1.620   5.842
  780    H    VAL 132           HN       VAL 132  11.373   1.118   4.405
  781    HA   VAL 132           HA       VAL 132  11.709  -1.817   4.587
  782    HB   VAL 132           HB       VAL 132   9.467  -0.916   5.486
  783   1HG1  VAL 132          1HG1      VAL 132   8.965  -0.543   2.542
  784   2HG1  VAL 132          3HG1      VAL 132   7.731  -0.509   3.802
  785   3HG1  VAL 132          2HG1      VAL 132   8.995   0.720   3.773
  786   1HG2  VAL 132          3HG2      VAL 132   9.510  -2.991   3.301
  787   2HG2  VAL 132          2HG2      VAL 132   9.826  -3.258   5.015
  788   3HG2  VAL 132          1HG2      VAL 132   8.214  -2.787   4.478
  789    H    SER 133           HN       SER 133  11.552  -2.943   2.520
  790    HA   SER 133           HA       SER 133  12.452  -1.100   0.433
  791   1HB   SER 133           HB2      SER 133  12.734  -4.110   0.516
  792   2HB   SER 133           HB1      SER 133  13.569  -2.993  -0.566
  793    HG   SER 133           HG       SER 133  13.952  -3.452   2.187
  794    H    ILE 134           HN       ILE 134  11.572  -0.897  -1.491
  795    HA   ILE 134           HA       ILE 134   9.143  -2.399  -2.126
  796    HB   ILE 134           HB       ILE 134  10.418  -0.191  -3.760
  797   1HG1  ILE 134          2HG1      ILE 134   8.299   0.056  -1.615
  798   2HG1  ILE 134          1HG1      ILE 134   9.948   0.664  -1.511
  799   1HG2  ILE 134          1HG2      ILE 134   7.632  -1.340  -3.687
  800   2HG2  ILE 134          3HG2      ILE 134   8.096   0.093  -4.603
  801   3HG2  ILE 134          2HG2      ILE 134   8.806  -1.475  -5.002
  802   1HD1  ILE 134          3HD1      ILE 134   9.498   2.179  -3.375
  803   2HD1  ILE 134          2HD1      ILE 134   7.837   1.585  -3.447
  804   3HD1  ILE 134          1HD1      ILE 134   8.404   2.451  -2.019
  805    H    SER 135           HN       SER 135  10.301  -4.387  -2.367
  806    HA   SER 135           HA       SER 135  12.665  -4.643  -3.869
  807   1HB   SER 135           HB2      SER 135  11.718  -7.176  -3.795
  808   2HB   SER 135           HB1      SER 135  12.521  -6.392  -2.432
  809    HG   SER 135           HG       SER 135  10.676  -6.240  -1.399
  810    H    GLN 136           HN       GLN 136   9.297  -4.866  -4.723
  811    HA   GLN 136           HA       GLN 136  10.123  -5.289  -7.509
  812   1HB   GLN 136           HB2      GLN 136   7.464  -5.797  -6.167
  813   2HB   GLN 136           HB1      GLN 136   7.675  -5.798  -7.912
  814   1HG   GLN 136           HG2      GLN 136   7.745  -8.048  -7.256
  815   2HG   GLN 136           HG1      GLN 136   9.417  -7.595  -7.576
  816   1HE2  GLN 136          1HE2      GLN 136  10.280  -9.190  -6.295
  817   2HE2  GLN 136          2HE2      GLN 136  10.172  -9.171  -4.570
  818    HA   PRO 137           HA       PRO 137   9.169  -0.851  -7.083
  819   1HB   PRO 137           HB2      PRO 137  11.058  -0.587  -9.304
  820   2HB   PRO 137           HB1      PRO 137  11.106   0.143  -7.696
  821   1HG   PRO 137           HG2      PRO 137  12.827  -1.790  -8.397
  822   2HG   PRO 137           HG1      PRO 137  12.169  -1.681  -6.751
  823   1HD   PRO 137           HD2      PRO 137  11.302  -3.463  -9.014
  824   2HD   PRO 137           HD1      PRO 137  11.589  -3.876  -7.308
  825    H    ASP 138           HN       ASP 138   7.085  -1.534  -7.989
  826    HA   ASP 138           HA       ASP 138   6.797  -1.029 -10.841
  827   1HB   ASP 138           HB2      ASP 138   5.434  -2.713  -9.371
  828   2HB   ASP 138           HB1      ASP 138   4.503  -1.287  -8.920
  829    H    VAL 139           HN       VAL 139   4.205   0.443 -10.464
  830    HA   VAL 139           HA       VAL 139   4.519   2.819  -9.156
  831    HB   VAL 139           HB       VAL 139   6.668   3.169 -10.219
  832   1HG1  VAL 139          2HG1      VAL 139   5.195   3.024 -12.843
  833   2HG1  VAL 139          1HG1      VAL 139   6.874   3.529 -12.643
  834   3HG1  VAL 139          3HG1      VAL 139   6.394   1.879 -12.244
  835   1HG2  VAL 139          3HG2      VAL 139   4.549   5.034 -11.275
  836   2HG2  VAL 139          2HG2      VAL 139   5.376   5.145  -9.721
  837   3HG2  VAL 139          1HG2      VAL 139   6.276   5.388 -11.218
  838    H    ASP 140           HN       ASP 140   3.722   1.606 -12.403
  839    HA   ASP 140           HA       ASP 140   1.886   3.842 -12.710
  840   1HB   ASP 140           HB2      ASP 140   3.519   3.171 -14.499
  841   2HB   ASP 140           HB1      ASP 140   2.564   1.711 -14.734
  842    H    ALA 141           HN       ALA 141   0.163   3.316 -11.350
  843    HA   ALA 141           HA       ALA 141  -1.357   0.907 -11.985
  844   1HB   ALA 141           HB1      ALA 141  -1.201   1.628  -9.649
  845   2HB   ALA 141           HB3      ALA 141  -2.009   3.141 -10.066
  846   3HB   ALA 141           HB2      ALA 141  -2.871   1.609 -10.215
  847    H    SER 142           HN       SER 142  -3.924   1.486 -12.078
  848    HA   SER 142           HA       SER 142  -4.079   2.727 -14.685
  849   1HB   SER 142           HB2      SER 142  -5.301   0.613 -14.011
  850   2HB   SER 142           HB1      SER 142  -6.354   1.625 -13.028
  851    HG   SER 142           HG       SER 142  -6.224   2.683 -15.475
  852    H    ASN 143           HN       ASN 143  -5.273   3.391 -11.422
  853    HA   ASN 143           HA       ASN 143  -6.238   6.005 -12.387
  854   1HB   ASN 143           HB2      ASN 143  -7.840   4.421 -11.138
  855   2HB   ASN 143           HB1      ASN 143  -6.889   4.784  -9.701
  856   1HD2  ASN 143          1HD2      ASN 143  -8.551   5.797  -8.637
  857   2HD2  ASN 143          2HD2      ASN 143  -9.159   7.342  -9.114
  858    H    GLY 144           HN       GLY 144  -4.143   4.346 -10.139
  859   1HA   GLY 144           HA1      GLY 144  -3.333   5.721  -8.178
  860   2HA   GLY 144           HA2      GLY 144  -3.019   6.962  -9.381
  861    H    VAL 145           HN       VAL 145  -1.503   4.968  -7.479
  862    HA   VAL 145           HA       VAL 145   0.599   4.236  -9.399
  863    HB   VAL 145           HB       VAL 145   1.000   5.837  -6.879
  864   1HG1  VAL 145          2HG1      VAL 145   2.799   4.239  -7.138
  865   2HG1  VAL 145          1HG1      VAL 145   3.057   4.780  -8.797
  866   3HG1  VAL 145          3HG1      VAL 145   3.375   5.876  -7.451
  867   1HG2  VAL 145          1HG2      VAL 145   0.195   7.195  -8.719
  868   2HG2  VAL 145          3HG2      VAL 145   1.880   7.576  -8.356
  869   3HG2  VAL 145          2HG2      VAL 145   1.484   6.575  -9.753
  870    H    ILE 146           HN       ILE 146   1.636   2.370  -8.911
  871    HA   ILE 146           HA       ILE 146   0.802   0.980  -6.441
  872    HB   ILE 146           HB       ILE 146  -0.298  -0.149  -8.162
  873   1HG1  ILE 146          2HG1      ILE 146   0.867  -2.325  -8.466
  874   2HG1  ILE 146          1HG1      ILE 146   2.325  -1.604  -7.796
  875   1HG2  ILE 146          2HG2      ILE 146   0.721   0.963 -10.039
  876   2HG2  ILE 146          1HG2      ILE 146   2.196   0.019  -9.822
  877   3HG2  ILE 146          3HG2      ILE 146   0.699  -0.784 -10.295
  878   1HD1  ILE 146          3HD1      ILE 146   1.169  -1.226  -5.690
  879   2HD1  ILE 146          2HD1      ILE 146  -0.291  -1.953  -6.360
  880   3HD1  ILE 146          1HD1      ILE 146   1.162  -2.930  -6.144
  881    H    HIS 147           HN       HIS 147   2.364   0.300  -5.128
  882    HA   HIS 147           HA       HIS 147   4.988  -0.396  -6.246
  883   1HB   HIS 147           HB2      HIS 147   4.601   1.216  -3.711
  884   2HB   HIS 147           HB1      HIS 147   6.138   0.616  -4.318
  885    HD1  HIS 147           HD1      HIS 147   6.837   1.691  -6.762
  886    HD2  HIS 147           HD2      HIS 147   3.975   3.711  -4.520
  887    HE1  HIS 147           HE1      HIS 147   6.796   4.028  -7.670
  888    HE2  HIS 147           HE2      HIS 147   4.926   5.168  -6.427
  889    H    VAL 148           HN       VAL 148   5.619  -2.399  -5.569
  890    HA   VAL 148           HA       VAL 148   4.047  -3.636  -3.455
  891    HB   VAL 148           HB       VAL 148   6.162  -4.889  -5.208
  892   1HG1  VAL 148          3HG1      VAL 148   6.008  -5.981  -3.015
  893   2HG1  VAL 148          2HG1      VAL 148   4.259  -6.125  -3.200
  894   3HG1  VAL 148          1HG1      VAL 148   5.334  -7.020  -4.277
  895   1HG2  VAL 148          1HG2      VAL 148   4.132  -4.244  -6.438
  896   2HG2  VAL 148          3HG2      VAL 148   4.290  -5.996  -6.320
  897   3HG2  VAL 148          2HG2      VAL 148   3.151  -5.142  -5.280
  898    H    ILE 149           HN       ILE 149   4.673  -3.435  -1.481
  899    HA   ILE 149           HA       ILE 149   7.481  -3.222  -0.795
  900    HB   ILE 149           HB       ILE 149   6.531  -3.194   1.581
  901   1HG1  ILE 149          2HG1      ILE 149   3.959  -2.856   0.017
  902   2HG1  ILE 149          1HG1      ILE 149   4.365  -4.229   1.037
  903   1HG2  ILE 149          2HG2      ILE 149   7.290  -1.190   0.424
  904   2HG2  ILE 149          1HG2      ILE 149   5.716  -1.028  -0.355
  905   3HG2  ILE 149          3HG2      ILE 149   5.858  -0.844   1.393
  906   1HD1  ILE 149          3HD1      ILE 149   3.974  -1.395   1.968
  907   2HD1  ILE 149          2HD1      ILE 149   2.821  -2.718   2.141
  908   3HD1  ILE 149          1HD1      ILE 149   4.366  -2.776   2.993
  909    H    ASP 150           HN       ASP 150   8.545  -4.730   0.553
  910    HA   ASP 150           HA       ASP 150   7.382  -7.420   0.459
  911   1HB   ASP 150           HB2      ASP 150   9.686  -8.222   1.013
  912   2HB   ASP 150           HB1      ASP 150   9.585  -7.354  -0.510
  913    H    GLY 151           HN       GLY 151   7.220  -4.957   2.398
  914   1HA   GLY 151           HA1      GLY 151   8.132  -5.154   4.854
  915   2HA   GLY 151           HA2      GLY 151   7.102  -6.581   4.824
  916    H    VAL 152           HN       VAL 152   6.732  -4.392   6.582
  917    HA   VAL 152           HA       VAL 152   4.248  -3.224   5.510
  918    HB   VAL 152           HB       VAL 152   3.220  -3.460   7.756
  919   1HG1  VAL 152          3HG1      VAL 152   4.153  -6.050   6.504
  920   2HG1  VAL 152          2HG1      VAL 152   2.796  -5.883   7.618
  921   3HG1  VAL 152          1HG1      VAL 152   2.733  -5.114   6.033
  922   1HG2  VAL 152          3HG2      VAL 152   5.664  -5.125   8.371
  923   2HG2  VAL 152          2HG2      VAL 152   5.241  -3.581   9.113
  924   3HG2  VAL 152          1HG2      VAL 152   4.230  -4.999   9.388
  925    H    LEU 153           HN       LEU 153   3.798  -1.112   6.054
  926    HA   LEU 153           HA       LEU 153   5.444   0.229   8.039
  927   1HB   LEU 153           HB2      LEU 153   6.012   2.098   6.577
  928   2HB   LEU 153           HB1      LEU 153   6.749   0.603   6.037
  929    HG   LEU 153           HG       LEU 153   4.239   1.732   4.793
  930   1HD1  LEU 153          1HD1      LEU 153   6.058   3.357   4.605
  931   2HD1  LEU 153          3HD1      LEU 153   7.097   2.108   3.916
  932   3HD1  LEU 153          2HD1      LEU 153   5.659   2.640   3.043
  933   1HD2  LEU 153          3HD2      LEU 153   4.708  -0.661   4.411
  934   2HD2  LEU 153          2HD2      LEU 153   4.810   0.295   2.932
  935   3HD2  LEU 153          1HD2      LEU 153   6.285  -0.224   3.752
  936    H    MET 154           HN       MET 154   3.726   0.617   9.302
  937    HA   MET 154           HA       MET 154   1.919   2.719   8.564
  938   1HB   MET 154           HB2      MET 154   1.017  -0.139   8.724
  939   2HB   MET 154           HB1      MET 154  -0.075   1.126   9.274
  940   1HG   MET 154           HG2      MET 154  -0.423   1.936   7.179
  941   2HG   MET 154           HG1      MET 154   1.188   1.504   6.611
  942   1HE   MET 154           HE1      MET 154  -1.413  -0.846   8.427
  943   2HE   MET 154           HE3      MET 154  -2.441   0.173   7.416
  944   3HE   MET 154           HE2      MET 154  -2.267  -1.543   7.050
  945    HA   PRO 155           HA       PRO 155   1.914   3.957  12.700
  946   1HB   PRO 155           HB2      PRO 155  -0.779   2.915  13.418
  947   2HB   PRO 155           HB1      PRO 155  -0.119   4.545  13.590
  948   1HG   PRO 155           HG2      PRO 155  -1.878   3.971  11.670
  949   2HG   PRO 155           HG1      PRO 155  -0.529   5.091  11.383
  950   1HD   PRO 155           HD2      PRO 155  -0.872   2.263  10.490
  951   2HD   PRO 155           HD1      PRO 155  -0.080   3.623   9.662
  952    H    GLY 156           HN       GLY 156  -0.233   1.207  13.262
  953   1HA   GLY 156           HA1      GLY 156   0.350  -0.241  15.229
  954   2HA   GLY 156           HA2      GLY 156   1.998  -0.197  14.593
  955    H    ALA 157           HN       ALA 157  -1.206  -0.566  13.199
  956    HA   ALA 157           HA       ALA 157  -0.143  -2.364  11.195
  957   1HB   ALA 157           HB2      ALA 157  -2.517  -3.130  12.894
  958   2HB   ALA 157           HB3      ALA 157  -0.919  -3.871  12.990
  959   3HB   ALA 157           HB1      ALA 157  -1.881  -4.034  11.520

  No H/Q in entry =         959