*HEADER   DNA DUPLEX                              21-OCT-97   1AXU    
*TITLE    SOLUTION NMR STRUCTURE OF THE [AP]DG ADDUCT OPPOSITE DA IN  
*TITLE   2 A DNA DUPLEX, NMR, 9 STRUCTURES                            
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: DNA DUPLEX D(CCATC-[AP]G-CTACC)D(GGTAGAGATGG);   
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 OTHER_DETAILS: N1 ATOM OF AP LINKED TO C8 ATOM OF DG6      
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES                                             
*KEYWDS   DNA DUPLEX, AMINOPYRENE ADDUCT, CARCINOGEN ADDUCT           
*EXPDTA   NMR, 9 STRUCTURES                                           
*AUTHOR   Z.GU,A.A.GORIN,R.KRISHNASAMI,B.E.HINGERTY,A.K.BASU,         
*AUTHOR  2 S.BROYDE,D.J.PATEL                                         
*REVDAT  1   01-JUL-98 1AXU    0                                      
 
set echo=false end
assi (resi   1 and name h6   )
     (resi   1 and name h5'  )  3.07  0.61  0.61 !  143 -^-  0.26 
assi (resi   1 and name h8   )
     (resi   1 and name h3'  )  3.23  0.65  0.65 !   96 -v-  0.46 
assi (resi   1 and name h1'  )
     (resi   1 and name h4'  )  2.70  0.54  0.54 !  207 -^-  0.56 
assi (resi   1 and name h6   )
     (resi   1 and name h2'  )  2.34  0.47  0.47 !  184 P--  0.45 
assi (resi   1 and name h6   )
     (resi   2 and name h5   )  3.85  0.77  0.77 !   74 -v-  1.64 
assi (resi   2 and name h6   )
     (resi   2 and name h3'  )  3.29  0.66  0.66 !  102 -v-  0.30 
assi (resi   2 and name h6   )
     (resi   2 and name h3'  )  3.35  0.67  0.67 !  103 P--  0.08 
assi (resi   2 and name h6   )
     (resi   2 and name h1'  )  3.26  0.65  0.65 !   77 -^-  1.49 
assi (resi   3 and name h8   )
     (resi   2 and name h2'  )  3.41  0.68  0.68 !  149 -^-  0.84 
assi (resi   3 and name h8   )
     (resi   2 and name h1'  )  3.60  0.72  0.72 !   63 -^-  0.79 
assi (resi   3 and name h8   )
     (resi   2 and name h3'  )  4.16  0.83  0.83 !   90 -v-  1.34 
assi (resi   3 and name h8   )
     (resi   2 and name h2'' )  2.90  0.58  0.58 !  150 -^-  0.63 
assi (resi   3 and name h8   )
     (resi   3 and name h2'  )  2.21  0.44  0.44 !  151 P--  0.75 
assi (resi   3 and name h8   )
     (resi   3 and name h2'' )  2.78  0.56  0.56 !  152 -^-  0.98 
assi (resi   3 and name h8   )
     (resi   3 and name h4'  )  4.93  0.99  0.99 !  133 -^>  4.38 
assi (resi   3 and name h8   )
     (resi   3 and name h5'' )  4.16  0.83  0.83 !  136 -^-  0.70 
assi (resi   3 and name h8   )
     (resi   3 and name h3'  )  3.75  0.75  0.75 !   91 -v-  2.14 
assi (resi   3 and name h8   )
     (resi   3 and name h1'  )  3.41  0.68  0.68 !   67 -^-  0.82 
assi (resi   3 and name h8   )
     (resi   3 and name h5'  )  3.91  0.78  0.78 !  147 -^-  1.14 
assi (resi   3 and name h1'  )
     (resi   3 and name h3'  )  3.30  0.66  0.66 !  187 -^-  0.19 
assi (resi   3 and name h1'  )
     (resi   3 and name h4'  )  2.94  0.59  0.59 !  200 -^-  0.49 
assi (resi   3 and name h1'  )
     (resi   3 and name h2'' )  2.35  0.47  0.47 !  219 -^-  0.62 
assi (resi   3 and name h1'  )
     (resi   3 and name h2'  )  2.56  0.51  0.51 !  218 P--  0.24 
assi (resi   3 and name h1'  )
     (resi   4 and name h5#  )  4.85  0.97  0.97 !  211 -v-  1.86 
assi (resi   4 and name h6   )
     (resi   3 and name h3'  )  4.12  0.82  0.82 !  108 0v-  2.44 
assi (resi   3 and name h8   )
     (resi   4 and name h6   )  5.58  1.12  1.12 !  117 -v-  1.79 
assi (resi   3 and name h8   )
     (resi   4 and name h5#  )  3.33  0.67  0.67 !  148 -^-  0.43 
assi (resi   4 and name h6   )
     (resi   3 and name h2'' )  2.52  0.50  0.50 !  165 P--  0.43 
assi (resi   4 and name h6   )
     (resi   3 and name h1'  )  3.38  0.68  0.68 !   81 -^-  1.11 
assi (resi   4 and name h6   )
     (resi   3 and name h2'  )  2.79  0.56  0.56 !  167 -^>  1.96 
assi (resi   3 and name h3'  )
     (resi   4 and name h5#  )  4.03  0.81  0.81 !  234 -^-  1.34 
assi (resi   4 and name h6   )
     (resi   4 and name h3'  )  3.51  0.70  0.70 !   22 -v-  1.03 
assi (resi   4 and name h1'  )
     (resi   4 and name h3'  )  3.56  0.71  0.71 !   35 -v-  0.34 
assi (resi   4 and name h6   )
     (resi   4 and name h2'  )  2.17  0.43  0.43 !  179 -^l  0.82 
assi (resi   4 and name h6   )
     (resi   4 and name h5#  )  2.88  0.58  0.58 !  177 P--  0.48 
assi (resi   4 and name h6   )
     (resi   4 and name h1'  )  3.60  0.72  0.72 !   83 -v-  1.42 
assi (resi   5 and name h5   )
     (resi   4 and name h5#  )  4.41  0.88  0.88 !   54 -^>  2.35 
assi (resi   5 and name h6   )
     (resi   4 and name h1'  )  3.95  0.79  0.79 !    2 -v-  1.42 
assi (resi   4 and name h6   )
     (resi   5 and name h5   )  4.11  0.82  0.82 !    1 -^-  1.04 
assi (resi   5 and name h6   )
     (resi   4 and name h2'  )  2.89  0.58  0.58 !  174 P-l  1.21 
assi (resi   5 and name h6   )
     (resi   4 and name h3'  )  4.78  0.96  0.96 !   24 -v-  0.63 
assi (resi   5 and name h6   )
     (resi   4 and name h2'' )  2.67  0.53  0.53 !  172 -^-  0.55 
assi (resi   5 and name h6   )
     (resi   5 and name h3'  )  3.32  0.66  0.66 !   23 -^-  1.26 
assi (resi   5 and name h1'  )
     (resi   5 and name h2'  )  2.98  0.60  0.60 !   55 -^-  0.81 
assi (resi   5 and name h1'  )
     (resi   5 and name h2'' )  2.31  0.46  0.46 !   56 P--  0.36 
assi (resi   5 and name h6   )
     (resi   5 and name h1'  )  3.16  0.63  0.63 !    4 -^-  1.28 
assi (resi   5 and name h3'  )
     (resi   5 and name h2'  )  2.40  0.48  0.48 !  232 -^-  0.94 
assi (resi   5 and name h6   )
     (resi   5 and name h2'' )  2.68  0.54  0.54 !   41 -^-  0.38 
assi (resi   5 and name h6   )
     (resi   5 and name h2'  )  2.33  0.47  0.47 !   40 P-l  0.53 
assi (resi   6 and name h14  )
     (resi   6 and name h16  )  2.50  0.50  0.50 !  124 P--  0.34 
assi (resi   6 and name h14  )
     (resi   6 and name h17  )  5.41  1.08  1.08 !  125 0v-  0.64 
assi (resi   6 and name h21a  )
     (resi   6 and name h19  )  3.34  0.67  0.67 !  126 -^>  3.36 
assi (resi   6 and name h3'  )
     (resi   6 and name h2'' )  2.54  0.51  0.51 !  224 -^-  0.98 
assi (resi   6 and name h3'  )
     (resi   6 and name h4'  )  2.70  0.54  0.54 !  210 -^-  0.94 
assi (resi   6 and name h1'  )
     (resi   6 and name h4'  )  2.92  0.58  0.58 !  209 -^-  1.37 
assi (resi   6 and name h20  )
     (resi   6 and name h19  )  2.39  0.48  0.48 !  132 -^-  0.88 
assi (resi   6 and name h16  )
     (resi   6 and name h17  )  2.67  0.53  0.53 !  131 -^-  0.89 
assi (resi   6 and name h19  )
     (resi   6 and name h17  )  2.79  0.56  0.56 !  130 -^-  1.06 
assi (resi   6 and name h13  )
     (resi   6 and name h14  )  3.11  0.62  0.62 !  118 -v-  1.01 
assi (resi   6 and name h1'  )
     (resi   6 and name h2'' )  2.34  0.47  0.47 !   58 P--  0.43 
assi (resi   6 and name h1'  )
     (resi   6 and name h2'  )  2.93  0.59  0.59 !   57 -v-  0.55 
assi (resi   6 and name h24  )
     (resi   6 and name h1'  )  2.87  0.57  0.57 !   17 P--  1.07 
assi (resi   6 and name h1'  )
     (resi   6 and name h3'  )  3.92  0.78  0.78 !   37 -v-  1.05 
assi (resi   7 and name h6   )
     (resi   6 and name h4'  )  4.79  0.96  0.96 !  138 -v-  1.85 
assi (resi   7 and name h6   )
     (resi   6 and name h3'  )  3.98  0.80  0.80 !   25 P-l  0.69 
assi (resi   7 and name h6   )
     (resi   6 and name h1'  )  3.03  0.61  0.61 !    5 P--  0.62 
assi (resi   6 and name h24  )
     (resi   7 and name h1'  )  3.51  0.70  0.70 !   16 -^-  0.61 
assi (resi   6 and name h23  )
     (resi   7 and name h1'  )  2.88  0.58  0.58 !   15 -^l  1.77 
assi (resi   6 and name h1'  )
     (resi   7 and name h5   )  2.84  0.57  0.57 !   36 -^-  1.05 
assi (resi   7 and name h6   )
     (resi   6 and name h4'  )  3.64  0.73  0.73 !   53 -^-  1.31 
!!assi (resi   7 and name h6   )
!!     (resi   6 and name h2'  )  3.28  0.66  0.66 !   42 -^>  2.00 
assi (resi   7 and name h5   )
     (resi   6 and name h2'  )  3.86  0.77  0.77 !   61 -v-  1.11 
assi (resi  16 and name h2'  )
     (resi   6 and name h19  )  3.55  0.71  0.71 !   52 -^>  3.92 
assi (resi   6 and name h17  )
     (resi  16 and name h3'  )  4.06  0.81  0.81 !   21 -^>  4.74 
assi (resi  16 and name h2'' )
     (resi   6 and name h19  )  3.16  0.63  0.63 !   51 -^-  1.30 
assi (resi   6 and name h17  )
     (resi  16 and name h2'' )  3.51  0.70  0.70 !   48 -^>  2.78 
assi (resi   6 and name h19  )
     (resi  16 and name h1'  )  3.60  0.72  0.72 !   14 -^-  1.18 
assi (resi   6 and name h17  )
     (resi  17 and name h1'  )  4.99  1.00  1.00 !   20 -v-  1.17 
assi (resi   6 and name h20  )
     (resi  17 and name h4'  )  3.97  0.79  0.79 !  114 P--  0.52 
assi (resi   6 and name h19  )
     (resi  17 and name h4'  )  3.40  0.68  0.68 !  113 -^-  0.92 
assi (resi   7 and name h6   )
     (resi   7 and name h2'  )  2.35  0.47  0.47 !  162 -^-  0.94 
assi (resi   7 and name h6   )
     (resi   7 and name h3'  )  3.31  0.66  0.66 !   26 -^-  0.92 
assi (resi   7 and name h6   )
     (resi   7 and name h1'  )  3.18  0.64  0.64 !    6 -^-  0.68 
assi (resi   7 and name h1'  )
     (resi   7 and name h3'  )  3.78  0.76  0.76 !   62 -v-  1.53 
assi (resi   7 and name h1'  )
     (resi   7 and name h4'  )  2.85  0.57  0.57 !  206 -^-  0.16 
assi (resi   7 and name h6   )
     (resi   7 and name h5'  )  3.82  0.76  0.76 !  142 -v-  1.09 
assi (resi   7 and name h6   )
     (resi   8 and name h6   )  4.36  0.87  0.87 !   18 -v-  0.94 
assi (resi   7 and name h6   )
     (resi   8 and name h5#  )  4.83  0.97  0.97 !  212 -v-  0.66 
assi (resi   7 and name h6   )
     (resi   8 and name h5#  )  3.67  0.73  0.73 !   59 P--  0.12 
assi (resi   7 and name h5   )
     (resi   8 and name h5#  )  3.83  0.77  0.77 !   60 -^-  0.61 
assi (resi   8 and name h6   )
     (resi   8 and name h1'  )  3.54  0.71  0.71 !    9 -^-  0.96 
!!assi (resi   8 and name h3'  )
!!     (resi   8 and name h5#  )  3.30  0.66  0.66 !  235 -^-  1.34 
assi (resi   8 and name h6   )
     (resi   8 and name h1'  )  3.39  0.68  0.68 !    8 -^-  1.54 
assi (resi   8 and name h1'  )
     (resi   8 and name h5#  )  5.40  1.08  1.08 !  217 -v>  3.10 
assi (resi   8 and name h6   )
     (resi   8 and name h5#  )  2.91  0.58  0.58 !   43 P--  0.44 
assi (resi   8 and name h6   )
     (resi   8 and name h2'  )  1.97  0.39  0.39 !  181 P--  0.60 
assi (resi   9 and name h8   )
     (resi   8 and name h6   )  4.54  0.91  0.91 !  116 0v-  6.89 
assi (resi   9 and name h8   )
     (resi   8 and name h2'' )  2.82  0.56  0.56 !  157 -^-  1.01 
assi (resi   9 and name h8   )
     (resi   8 and name h2'  )  3.35  0.67  0.67 !  154 -vl  3.87 
assi (resi   9 and name h8   )
     (resi   8 and name h1'  )  3.78  0.76  0.76 !   64 -^-  0.09 
assi (resi   9 and name h8   )
     (resi   8 and name h3'  )  4.29  0.86  0.86 !   93 -v-  2.21 
assi (resi   9 and name h8   )
     (resi   9 and name h3'  )  3.44  0.69  0.69 !   92 -v-  0.93 
assi (resi   9 and name h8   )
     (resi   9 and name h2'  )  2.15  0.43  0.43 !  158 P--  0.53 
assi (resi   9 and name h8   )
     (resi   9 and name h2'' )  2.67  0.53  0.53 !  159 -^-  0.63 
assi (resi   9 and name h8   )
     (resi   9 and name h4'  )  4.72  0.94  0.94 !  134 -^>  3.21 
assi (resi   9 and name h1'  )
     (resi   9 and name h4'  )  2.87  0.57  0.57 !  208 -^-  0.42 
assi (resi   9 and name h8   )
     (resi   9 and name h5'' )  3.97  0.79  0.79 !  146 -v-  1.86 
assi (resi   9 and name h8   )
     (resi   9 and name h5'  )  4.19  0.84  0.84 !  145 -^-  2.18 
assi (resi   9 and name h1'  )
     (resi   9 and name h2'' )  2.19  0.44  0.44 !  226 P--  0.27 
assi (resi   9 and name h1'  )
     (resi   9 and name h3'  )  3.18  0.64  0.64 !  188 -^-  2.04 
assi (resi   9 and name h8   )
     (resi   9 and name h1'  )  3.51  0.70  0.70 !   66 -^-  0.59 
assi (resi   9 and name h8   )
     (resi  10 and name h6   )  4.84  0.97  0.97 !  115 -v-  1.83 
assi (resi  10 and name h6   )
     (resi   9 and name h3'  )  4.16  0.83  0.83 !  107 -v-  1.51 
assi (resi  10 and name h5   )
     (resi   9 and name h2'' )  3.27  0.65  0.65 !  220 -^-  0.77 
assi (resi  10 and name h5   )
     (resi   9 and name h2'  )  3.03  0.61  0.61 !  221 P-l  1.11 
assi (resi  10 and name h6   )
     (resi   9 and name h2'' )  2.50  0.50  0.50 !  164 -^-  0.88 
assi (resi  10 and name h6   )
     (resi   9 and name h1'  )  2.90  0.58  0.58 !   86 P--  0.70 
assi (resi   9 and name h8   )
     (resi  10 and name h5   )  3.58  0.72  0.72 !   65 -^-  0.41 
assi (resi  10 and name h6   )
     (resi   9 and name h2'  )  2.85  0.57  0.57 !  169 -^-  0.27 
!!assi (resi  10 and name h1'  )
!!     (resi  10 and name h5   )  3.25  0.65  0.65 !  194 -^-  1.51 
assi (resi  10 and name h6   )
     (resi  10 and name h4'  )  4.44  0.89  0.89 !  140 -^-  0.98 
assi (resi  10 and name h6   )
     (resi  10 and name h2'  )  2.18  0.44  0.44 !  180 P--  0.40 
assi (resi  10 and name h1'  )
     (resi  10 and name h3'  )  3.38  0.68  0.68 !  198 -^-  1.65 
assi (resi  10 and name h6   )
     (resi  10 and name h2'' )  2.70  0.54  0.54 !  183 -^-  0.57 
assi (resi  10 and name h6   )
     (resi  10 and name h3'  )  3.81  0.76  0.76 !  105 -^-  1.52 
assi (resi  10 and name h6   )
     (resi  10 and name h1'  )  3.15  0.63  0.63 !   85 -^-  0.42 
assi (resi  10 and name h5   )
     (resi  10 and name h2'  )  3.32  0.66  0.66 !  223 -^-  0.64 
assi (resi  10 and name h6   )
     (resi  11 and name h5   )  3.82  0.76  0.76 !   89 -v-  1.41 
assi (resi  11 and name h5   )
     (resi  10 and name h5   )  3.12  0.62  0.62 !  193 P--  0.45 
assi (resi  11 and name h6   )
     (resi  11 and name h1'  )  2.90  0.58  0.58 !   87 -^-  0.46 
assi (resi  11 and name h5   )
     (resi  11 and name h3'  )  4.30  0.86  0.86 !  202 -^>  3.22 
assi (resi  11 and name h1'  )
     (resi  11 and name h3'  )  3.47  0.69  0.69 !  201 -^-  1.45 
assi (resi  11 and name h6   )
     (resi  11 and name h3'  )  2.71  0.54  0.54 !  104 P--  0.29 
assi (resi  11 and name h1'  )
     (resi  11 and name h2'  )  2.14  0.43  0.43 !  225 P--  0.17 
assi (resi  12 and name h8   )
     (resi  12 and name h3'  )  3.80  0.76  0.76 !   97 -^-  0.51 
assi (resi  12 and name h8   )
     (resi  12 and name h5'  )  3.43  0.69  0.69 !  144 -^-  0.59 
assi (resi  12 and name h8   )
     (resi  12 and name h1'  )  3.30  0.66  0.66 !   72 -v-  1.41 
assi (resi  13 and name h8   )
     (resi  12 and name h1'  )  3.29  0.66  0.66 !   73 -^-  1.26 
assi (resi  13 and name h8   )
     (resi  12 and name h3'  )  4.14  0.83  0.83 !   98 -^-  1.89 
assi (resi  13 and name h1'  )
     (resi  13 and name h3'  )  3.22  0.64  0.64 !  189 -^-  0.81 
assi (resi  13 and name h8   )
     (resi  13 and name h3'  )  3.55  0.71  0.71 !  100 -v-  1.14 
assi (resi  13 and name h1'  )
     (resi  13 and name h2'' )  2.20  0.44  0.44 !  229 P--  0.29 
assi (resi  13 and name h8   )
     (resi  13 and name h1'  )  3.29  0.66  0.66 !   70 -^-  0.98 
assi (resi  13 and name h8   )
     (resi  13 and name h4'  )  4.83  0.97  0.97 !  141 -v-  2.55 
assi (resi  14 and name h6   )
     (resi  13 and name h2'  )  2.75  0.55  0.55 !  170 P--  0.26 
assi (resi  14 and name h6   )
     (resi  13 and name h2'' )  2.53  0.51  0.51 !  168 P--  0.56 
assi (resi  14 and name h6   )
     (resi  13 and name h1'  )  2.93  0.59  0.59 !   82 -^-  0.67 
assi (resi  14 and name h6   )
     (resi  13 and name h3'  )  3.86  0.77  0.77 !  109 -^-  0.71 
assi (resi  13 and name h3'  )
     (resi  14 and name h5#  )  3.83  0.77  0.77 !  233 P--  0.24 
assi (resi  13 and name h8   )
     (resi  14 and name h6   )  4.74  0.95  0.95 !  127 0v-  2.03 
assi (resi  13 and name h8   )
     (resi  14 and name h5#  )  3.41  0.68  0.68 !  156 -^-  0.36 
assi (resi  13 and name h1'  )
     (resi  14 and name h5#  )  3.96  0.79  0.79 !  213 -^-  1.10 
assi (resi  14 and name h6   )
     (resi  14 and name h1'  )  3.39  0.68  0.68 !   84 -^-  1.45 
assi (resi  14 and name h6   )
     (resi  14 and name h5#  )  2.85  0.57  0.57 !  178 P--  0.32 
assi (resi  14 and name h6   )
     (resi  14 and name h3'  )  3.26  0.65  0.65 !  110 -^-  0.67 
assi (resi  14 and name h1'  )
     (resi  14 and name h2'' )  2.33  0.47  0.47 !  228 P--  0.32 
assi (resi  15 and name h8   )
     (resi  14 and name h2'  )  3.17  0.63  0.63 !  160 -^>  2.71 
assi (resi  15 and name h8   )
     (resi  14 and name h2'' )  2.91  0.58  0.58 !  163 P--  0.13 
assi (resi  15 and name h1'  )
     (resi  15 and name h2'' )  2.25  0.45  0.45 !  230 P--  0.26 
assi (resi  15 and name h8   )
     (resi  15 and name h1'  )  3.50  0.70  0.70 !   10 -^-  0.31 
assi (resi  15 and name h8   )
     (resi  15 and name h3'  )  3.61  0.72  0.72 !   27 -v-  0.47 
assi (resi  15 and name h1'  )
     (resi  15 and name h3'  )  3.30  0.66  0.66 !  190 -^-  1.71 
assi (resi  16 and name h8   )
     (resi  15 and name h2'' )  3.00  0.60  0.60 !   45 P--  0.08 
assi (resi  16 and name h8   )
     (resi  15 and name h1'  )  4.29  0.86  0.86 !   11 -^-  0.42 
assi (resi  16 and name h8   )
     (resi  15 and name h2'  )  3.34  0.67  0.67 !   44 P--  0.39 
assi (resi  15 and name h8   )
     (resi  16 and name h8   )  5.95  1.19  1.19 !   19 -v>  3.49 
assi (resi  16 and name h1'  )
     (resi  16 and name h2'' )  2.45  0.49  0.49 !  222 P--  0.55 
assi (resi  16 and name h1'  )
     (resi  16 and name h2'  )  3.21  0.64  0.64 !  216 -v-  1.27 
assi (resi  16 and name h3'  )
     (resi  16 and name h2'  )  2.38  0.48  0.48 !  236 -^-  1.10 
assi (resi  16 and name h1'  )
     (resi  16 and name h3'  )  3.37  0.67  0.67 !   38 -v-  1.65 
assi (resi  16 and name h8   )
     (resi  16 and name h2'' )  3.23  0.65  0.65 !   46 -v-  0.81 
assi (resi  16 and name h8   )
     (resi  16 and name h2'  )  2.64  0.53  0.53 !   47 P--  0.56 
assi (resi  17 and name h8   )
     (resi  16 and name h3'  )  3.78  0.76  0.76 !   28 -v-  1.07 
assi (resi  17 and name h3'  )
     (resi  17 and name h4'  )  2.42  0.48  0.48 !  203 -^>  3.11 
assi (resi  17 and name h8   )
     (resi  17 and name h3'  )  3.95  0.79  0.79 !   29 -v-  2.53 
assi (resi  17 and name h8   )
     (resi  17 and name h1'  )  4.16  0.83  0.83 !   12 -^-  0.90 
!!assi (resi  17 and name h8   )
!!     (resi  17 and name h2'' )  2.37  0.47  0.47 !   50 -^-  0.68 
assi (resi  17 and name h8   )
     (resi  17 and name h2'  )  2.96  0.59  0.59 !  186 P--  0.83 
assi (resi  17 and name h8   )
     (resi  17 and name h2'' )  3.64  0.73  0.73 !  185 -^>  2.64 
assi (resi  17 and name h1'  )
     (resi  17 and name h3'  )  3.70  0.74  0.74 !  191 -^-  0.89 
assi (resi  17 and name h8   )
     (resi  17 and name h2'  )  2.68  0.54  0.54 !   49 P--  0.07 
assi (resi  18 and name h8   )
     (resi  17 and name h3'  )  4.46  0.89  0.89 !   30 -v-  1.92 
assi (resi  18 and name h8   )
     (resi  17 and name h4'  )  2.78  0.56  0.56 !   32 P--  0.39 
assi (resi  18 and name h8   )
     (resi  18 and name h3'  )  3.60  0.72  0.72 !   31 -v-  0.73 
assi (resi  19 and name h8   )
     (resi  18 and name h3'  )  3.24  0.65  0.65 !   34 -^-  0.31 
assi (resi  19 and name h8   )
     (resi  19 and name h3'  )  3.83  0.77  0.77 !   33 -v-  2.10 
assi (resi  19 and name h8   )
     (resi  19 and name h4'  )  4.75  0.95  0.95 !  137 -^>  4.97 
assi (resi  19 and name h1'  )
     (resi  19 and name h3'  )  3.56  0.71  0.71 !   39 -^-  0.94 
assi (resi  19 and name h1'  )
     (resi  19 and name h2'' )  2.24  0.45  0.45 !  227 P--  0.44 
assi (resi  19 and name h1'  )
     (resi  19 and name h4'  )  2.92  0.58  0.58 !  205 -^-  0.59 
assi (resi  19 and name h8   )
     (resi  19 and name h1'  )  3.50  0.70  0.70 !   13 -^-  0.55 
assi (resi  20 and name h6   )
     (resi  19 and name h2'  )  2.87  0.57  0.57 !  171 P--  0.10 
assi (resi  19 and name h8   )
     (resi  20 and name h6   )  5.55  1.11  1.11 !  121 -v-  0.69 
assi (resi  20 and name h6   )
     (resi  19 and name h1'  )  3.31  0.66  0.66 !   80 -^l  2.77 
assi (resi  19 and name h8   )
     (resi  20 and name h5#  )  3.55  0.71  0.71 !  155 -^-  1.12 
assi (resi  19 and name h3'  )
     (resi  20 and name h5#  )  3.67  0.73  0.73 !  231 P--  0.51 
assi (resi  20 and name h6   )
     (resi  19 and name h2'' )  2.59  0.52  0.52 !  166 -^-  0.81 
assi (resi  20 and name h6   )
     (resi  19 and name h3'  )  4.18  0.84  0.84 !  112 -v-  0.27 
assi (resi  19 and name h1'  )
     (resi  20 and name h5#  )  4.91  0.98  0.98 !  214 -v-  0.82 
assi (resi  20 and name h6   )
     (resi  20 and name h5#  )  2.95  0.59  0.59 !  176 P--  0.11 
assi (resi  20 and name h1'  )
     (resi  20 and name h3'  )  3.72  0.74  0.74 !  195 -v-  1.24 
assi (resi  20 and name h6   )
     (resi  20 and name h3'  )  3.54  0.71  0.71 !  111 -^-  1.37 
assi (resi  20 and name h6   )
     (resi  20 and name h2'' )  2.70  0.54  0.54 !  173 -^-  0.72 
assi (resi  20 and name h6   )
     (resi  20 and name h2'  )  2.21  0.44  0.44 !  175 P--  0.44 
assi (resi  20 and name h6   )
     (resi  20 and name h1'  )  3.34  0.67  0.67 !   79 -^-  1.06 
assi (resi  20 and name h1'  )
     (resi  20 and name h2'  )  2.92  0.58  0.58 !  215 -v-  0.77 
assi (resi  21 and name h8   )
     (resi  20 and name h3'  )  4.21  0.84  0.84 !   99 -^-  0.54 
assi (resi  21 and name h8   )
     (resi  20 and name h2'  )  3.13  0.63  0.63 !  161 -^-  1.56 
assi (resi  21 and name h8   )
     (resi  21 and name h3'  )  3.23  0.65  0.65 !  101 -v-  0.80 
assi (resi  21 and name h1'  )
     (resi  21 and name h3'  )  3.54  0.71  0.71 !  192 -v-  0.80 
assi (resi  21 and name h1'  )
     (resi  21 and name h4'  )  2.93  0.59  0.59 !  204 -^-  0.33 
!!assi (resi  21 and name h8   )
!!     (resi  21 and name h4'  )  8.10  1.62  1.62 !  139 -v-  0.92 
assi (resi  22 and name h8   )
     (resi  22 and name h1'  )  3.41  0.68  0.68 !   68 -^-  1.51 
assi (resi  22 and name h8   )
     (resi  22 and name h3'  )  3.36  0.67  0.67 !   95 -^-  1.11 
assi (resi  22 and name h1'  )
     (resi  22 and name h3'  )  3.40  0.68  0.68 !  199 -^-  0.84 
set echo=true end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          1H5*        C   1   2.543   5.738   3.666
    2   2H5*    C   1          2H5*        C   1   4.240   6.310   3.953
    3    H4*    C   1           H4*        C   1   4.834   4.078   2.600
    4    H3*    C   1           H3*        C   1   3.931   6.264   1.169
    5   1H2*    C   1          1H2*        C   1   1.602   5.283   1.521
    6   2H2*    C   1          2H2*        C   1   2.097   4.802  -0.142
    7    H1*    C   1           H1*        C   1   3.251   2.751   0.796
    8   1H4     C   1          1H4         C   1  -2.940   0.506   2.100
    9   2H4     C   1          2H4         C   1  -1.954  -0.866   1.612
   10    H5     C   1           H5         C   1  -1.945   2.691   2.505
   11    H6     C   1           H6         C   1   0.102   4.024   2.292
   12    H5T    C   1           H5T        C   1   3.227   3.849   4.850
   13   1H5*    C   2          1H5*        C   2   7.253   3.407  -2.029
   14   2H5*    C   2          2H5*        C   2   6.380   3.140  -0.499
   15    H4*    C   2           H4*        C   2   6.716   0.926  -1.760
   16    H3*    C   2           H3*        C   2   6.469   2.386  -3.914
   17   1H2*    C   2          1H2*        C   2   4.075   2.921  -3.634
   18   2H2*    C   2          2H2*        C   2   4.081   1.588  -4.738
   19    H1*    C   2           H1*        C   2   3.967  -0.058  -2.783
   20   1H4     C   2          1H4         C   2  -1.698   2.963  -1.221
   21   2H4     C   2          2H4         C   2  -2.019   1.236  -1.075
   22    H5     C   2           H5         C   2   0.411   3.895  -1.617
   23    H6     C   2           H6         C   2   2.841   3.312  -2.210
   24   1H5*    A   3          1H5*        A   3   6.660  -2.707  -6.397
   25   2H5*    A   3          2H5*        A   3   5.816  -2.368  -4.859
   26    H4*    A   3           H4*        A   3   4.692  -4.290  -6.158
   27    H3*    A   3           H3*        A   3   5.074  -2.922  -8.517
   28   1H2*    A   3          1H2*        A   3   3.198  -1.295  -8.044
   29   2H2*    A   3          2H2*        A   3   2.256  -2.688  -8.674
   30    H1*    A   3           H1*        A   3   1.801  -3.715  -6.821
   31    H8     A   3           H8         A   3   2.827  -0.143  -6.233
   32   1H6     A   3          1H6         A   3  -2.941   0.678  -3.943
   33   2H6     A   3          2H6         A   3  -1.406   1.460  -4.318
   34    H2     A   3           H2         A   3  -2.451  -3.592  -5.269
   35   1H5*    T   4          1H5*        T   4   2.228  -7.415 -10.313
   36   2H5*    T   4          2H5*        T   4   2.327  -6.427  -8.823
   37    H4*    T   4           H4*        T   4   0.000  -7.162  -9.283
   38    H3*    T   4           H3*        T   4   0.527  -6.538 -12.007
   39   1H2*    T   4          1H2*        T   4   0.180  -4.131 -11.554
   40   2H2*    T   4          2H2*        T   4  -1.514  -4.506 -11.911
   41    H1*    T   4           H1*        T   4  -1.942  -5.075  -9.546
   42    H3     T   4           H3         T   4  -2.762  -1.065  -7.556
   43   1H5M    T   4           H51        T   4   1.320   0.843  -9.127
   44   2H5M    T   4           H52        T   4   2.122  -0.526  -9.825
   45   3H5M    T   4           H53        T   4   0.916   0.366 -10.778
   46    H6     T   4           H6         T   4   0.750  -2.602 -10.415
   47   1H5*    C   5          1H5*        C   5  -4.679  -7.151 -12.043
   48   2H5*    C   5          2H5*        C   5  -3.849  -6.133 -10.830
   49    H4*    C   5           H4*        C   5  -6.013  -5.368 -11.594
   50    H3*    C   5           H3*        C   5  -5.084  -5.956 -14.109
   51   1H2*    C   5          1H2*        C   5  -3.772  -4.050 -14.337
   52   2H2*    C   5          2H2*        C   5  -5.304  -3.321 -15.017
   53    H1*    C   5           H1*        C   5  -6.153  -2.676 -12.987
   54   1H4     C   5          1H4         C   5  -1.280   1.821 -13.013
   55   2H4     C   5          2H4         C   5  -2.754   2.612 -12.464
   56    H5     C   5           H5         C   5  -1.173  -0.663 -13.265
   57    H6     C   5           H6         C   5  -2.548  -2.709 -13.279
   58   1H5*    G   6          1H5*      APG   6  -9.531  -2.859 -15.393
   59   2H5*    G   6          2H5*      APG   6  -8.387  -2.754 -14.072
   60    H4*    G   6           H4*      APG   6  -8.974  -0.543 -15.159
   61    H3*    G   6           H3*      APG   6  -8.683  -1.927 -17.486
   62   1H2*    G   6          1H2*      APG   6  -6.362  -1.545 -17.494
   63   2H2*    G   6          2H2*      APG   6  -6.837   0.023 -18.311
   64    H1*    G   6           H1*      APG   6  -7.114   1.181 -16.297
   65    H1     G   6           H1       APG   6  -0.707  -1.680 -16.266
   66   1H2     G   6          1H2       APG   6  -1.651  -3.770 -16.501
   67   2H2     G   6          2H2       APG   6  -3.366  -3.979 -16.314
   68   1H5*    C   7          1H5*        C   7 -12.532  -0.116 -16.357
   69   2H5*    C   7          2H5*        C   7 -10.895   0.107 -15.753
   70    H4*    C   7           H4*        C   7 -12.356   1.851 -14.633
   71    H3*    C   7           H3*        C   7 -13.682   1.962 -17.185
   72   1H2*    C   7          1H2*        C   7 -11.637   3.034 -18.102
   73   2H2*    C   7          2H2*        C   7 -12.675   4.403 -17.867
   74    H1*    C   7           H1*        C   7 -11.701   4.535 -15.386
   75   1H4     C   7          1H4         C   7  -5.831   4.923 -18.671
   76   2H4     C   7          2H4         C   7  -6.116   6.575 -18.116
   77    H5     C   7           H5         C   7  -7.404   3.086 -18.419
   78    H6     C   7           H6         C   7  -9.650   2.532 -17.510
   79   1H5*    T   8          1H5*        T   8 -15.629   6.730 -15.556
   80   2H5*    T   8          2H5*        T   8 -14.028   6.069 -15.257
   81    H4*    T   8           H4*        T   8 -13.860   8.395 -16.244
   82    H3*    T   8           H3*        T   8 -15.439   7.067 -18.378
   83   1H2*    T   8          1H2*        T   8 -13.663   7.102 -19.858
   84   2H2*    T   8          2H2*        T   8 -13.643   8.946 -19.688
   85    H1*    T   8           H1*        T   8 -12.258   8.902 -17.805
   86    H3     T   8           H3         T   8  -8.154   8.083 -19.762
   87   1H5M    T   8           H51        T   8  -9.542   4.175 -21.703
   88   2H5M    T   8           H52        T   8 -10.853   3.687 -20.641
   89   3H5M    T   8           H53        T   8 -11.203   4.706 -22.085
   90    H6     T   8           H6         T   8 -12.350   5.797 -19.834
   91   1H5*    A   9          1H5*        A   9 -14.937  11.698 -17.242
   92   2H5*    A   9          2H5*        A   9 -13.432  10.768 -17.390
   93    H4*    A   9           H4*        A   9 -12.985  13.120 -17.412
   94    H3*    A   9           H3*        A   9 -14.831  13.217 -19.564
   95   1H2*    A   9          1H2*        A   9 -13.423  12.191 -21.227
   96   2H2*    A   9          2H2*        A   9 -12.736  13.833 -21.273
   97    H1*    A   9           H1*        A   9 -11.301  13.662 -19.789
   98    H8     A   9           H8         A   9 -12.484  10.315 -21.437
   99   1H6     A   9          1H6         A   9  -6.468   8.934 -22.576
  100   2H6     A   9          2H6         A   9  -8.081   8.268 -22.701
  101    H2     A   9           H2         A   9  -6.559  12.642 -20.338
  102   1H5*    C  10          1H5*        C  10 -12.273  17.993 -19.120
  103   2H5*    C  10          2H5*        C  10 -11.700  16.409 -18.586
  104    H4*    C  10           H4*        C  10  -9.903  17.862 -19.047
  105    H3*    C  10           H3*        C  10 -11.281  19.101 -21.012
  106   1H2*    C  10          1H2*        C  10 -11.533  16.990 -22.385
  107   2H2*    C  10          2H2*        C  10 -10.336  18.027 -23.223
  108    H1*    C  10           H1*        C  10  -8.604  16.811 -22.183
  109   1H4     C  10          1H4         C  10 -10.837  11.349 -24.914
  110   2H4     C  10          2H4         C  10  -9.108  11.214 -25.131
  111    H5     C  10           H5         C  10 -11.966  13.264 -24.171
  112    H6     C  10           H6         C  10 -11.745  15.318 -22.813
  113   1H5*    C  11          1H5*        C  11  -6.755  21.061 -23.529
  114   2H5*    C  11          2H5*        C  11  -6.705  19.406 -22.962
  115    H4*    C  11           H4*        C  11  -5.675  19.958 -25.168
  116    H3*    C  11           H3*        C  11  -8.466  20.361 -25.926
  117   1H2*    C  11          1H2*        C  11  -8.210  18.644 -27.917
  118   2H2*    C  11          2H2*        C  11  -6.706  19.285 -28.108
  119    H1*    C  11           H1*        C  11  -5.787  17.951 -27.250
  120   1H4     C  11          1H4         C  11 -10.614  13.318 -26.915
  121   2H4     C  11          2H4         C  11  -9.269  12.748 -27.924
  122    H5     C  11           H5         C  11 -10.520  15.562 -25.935
  123    H6     C  11           H6         C  11  -8.901  17.618 -25.693
  124   1H5*    G  12          1H5*        G  12  -2.669   5.444 -33.418
  125   2H5*    G  12          2H5*        G  12  -3.778   6.657 -34.036
  126    H4*    G  12           H4*        G  12  -1.682   7.858 -33.569
  127    H3*    G  12           H3*        G  12  -1.080   6.576 -31.268
  128   1H2*    G  12          1H2*        G  12  -3.539   7.131 -30.579
  129   2H2*    G  12          2H2*        G  12  -2.439   8.073 -29.500
  130    H1*    G  12           H1*        G  12  -2.425   9.891 -31.064
  131    H8     G  12           H8         G  12  -5.510   7.934 -31.516
  132    H1     G  12           H1         G  12  -6.441  13.527 -28.523
  133   1H2     G  12          1H2         G  12  -2.954  13.711 -28.654
  134   2H2     G  12          2H2         G  12  -4.461  14.615 -28.452
  135    H5T    G  12           H5T        G  12  -4.318   5.012 -32.199
  136   1H5*    G  13          1H5*        G  13   1.479  11.147 -29.864
  137   2H5*    G  13          2H5*        G  13  -0.105  11.703 -30.394
  138    H4*    G  13           H4*        G  13   0.820  13.120 -28.693
  139    H3*    G  13           H3*        G  13   1.479  10.775 -27.197
  140   1H2*    G  13          1H2*        G  13  -0.750  10.204 -26.452
  141   2H2*    G  13          2H2*        G  13  -0.385  11.518 -25.312
  142    H1*    G  13           H1*        G  13  -1.221  13.104 -26.133
  143    H8     G  13           H8         G  13  -2.638   9.872 -27.702
  144    H1     G  13           H1         G  13  -6.774  13.181 -24.130
  145   1H2     G  13          1H2         G  13  -3.977  15.346 -23.727
  146   2H2     G  13          2H2         G  13  -5.690  15.127 -23.342
  147   1H5*    T  14          1H5*        T  14   1.578  14.980 -23.983
  148   2H5*    T  14          2H5*        T  14   0.197  14.680 -25.055
  149    H4*    T  14           H4*        T  14  -0.288  16.138 -23.171
  150    H3*    T  14           H3*        T  14   1.488  14.599 -21.710
  151   1H2*    T  14          1H2*        T  14   0.263  12.695 -21.865
  152   2H2*    T  14          2H2*        T  14  -0.239  13.210 -20.191
  153    H1*    T  14           H1*        T  14  -2.139  14.212 -20.894
  154    H3     T  14           H3         T  14  -5.277  10.991 -21.691
  155   1H5M    T  14           H51        T  14  -2.082   8.274 -23.629
  156   2H5M    T  14           H52        T  14  -2.149   9.326 -25.032
  157   3H5M    T  14           H53        T  14  -0.707   9.374 -23.945
  158    H6     T  14           H6         T  14  -0.784  11.587 -23.199
  159   1H5*    A  15          1H5*        A  15  -1.328  16.175 -17.318
  160   2H5*    A  15          2H5*        A  15  -1.744  15.641 -18.957
  161    H4*    A  15           H4*        A  15  -3.331  14.840 -17.377
  162    H3*    A  15           H3*        A  15  -1.084  13.536 -16.043
  163   1H2*    A  15          1H2*        A  15  -1.789  11.461 -16.622
  164   2H2*    A  15          2H2*        A  15  -3.394  11.911 -15.850
  165    H1*    A  15           H1*        A  15  -4.361  12.670 -17.661
  166    H8     A  15           H8         A  15  -1.419  10.771 -19.197
  167   1H6     A  15          1H6         A  15  -5.924   6.625 -20.761
  168   2H6     A  15          2H6         A  15  -4.166   6.697 -20.726
  169    H2     A  15           H2         A  15  -7.672   9.718 -18.298
  170   1H5*    G  16          1H5*        G  16  -4.275  15.572 -12.279
  171   2H5*    G  16          2H5*        G  16  -4.993  15.165 -13.847
  172    H4*    G  16           H4*        G  16  -6.852  15.367 -12.214
  173    H3*    G  16           H3*        G  16  -5.353  14.295 -10.254
  174   1H2*    G  16          1H2*        G  16  -4.960  12.393 -11.162
  175   2H2*    G  16          2H2*        G  16  -6.485  11.950 -10.198
  176    H1*    G  16           H1*        G  16  -7.941  12.105 -12.139
  177    H8     G  16           H8         G  16  -4.138  11.335 -13.173
  178    H1     G  16           H1         G  16  -8.447   7.783 -16.278
  179   1H2     G  16          1H2         G  16 -10.819   9.937 -14.676
  180   2H2     G  16          2H2         G  16 -10.672   8.365 -15.463
  181   1H5*    A  17          1H5*        A  17  -8.167  11.347  -7.084
  182   2H5*    A  17          2H5*        A  17  -7.749  11.033  -8.812
  183    H4*    A  17           H4*        A  17  -7.398   9.143  -7.095
  184    H3*    A  17           H3*        A  17  -6.380  10.624  -5.292
  185   1H2*    A  17          1H2*        A  17  -4.531  11.215  -6.593
  186   2H2*    A  17          2H2*        A  17  -3.856   9.878  -5.475
  187    H1*    A  17           H1*        A  17  -4.385   8.135  -7.341
  188    H8     A  17           H8         A  17  -3.175  11.706  -8.978
  189   1H6     A  17          1H6         A  17   0.031   8.189 -12.753
  190   2H6     A  17          2H6         A  17  -0.524   9.818 -12.414
  191    H2     A  17           H2         A  17  -2.341   5.424 -10.155
  192   1H5*    G  18          1H5*        G  18  -9.800   7.010  -4.745
  193   2H5*    G  18          2H5*        G  18  -9.780   8.273  -5.937
  194    H4*    G  18           H4*        G  18 -11.049   6.305  -6.681
  195    H3*    G  18           H3*        G  18  -8.429   4.882  -6.290
  196   1H2*    G  18          1H2*        G  18  -9.302   3.245  -7.929
  197   2H2*    G  18          2H2*        G  18 -10.876   4.135  -7.907
  198    H1*    G  18           H1*        G  18  -9.865   5.306  -9.620
  199    H8     G  18           H8         G  18  -6.718   6.873  -8.391
  200    H1     G  18           H1         G  18  -5.701   2.012 -12.360
  201   1H2     G  18          1H2         G  18  -9.106   1.205 -11.713
  202   2H2     G  18          2H2         G  18  -7.696   0.870 -12.694
  203   1H5*    A  19          1H5*        A  19 -13.364   1.309  -4.750
  204   2H5*    A  19          2H5*        A  19 -12.605   2.145  -6.114
  205    H4*    A  19           H4*        A  19 -11.794  -0.233  -5.860
  206    H3*    A  19           H3*        A  19 -11.407   0.555  -2.996
  207   1H2*    A  19          1H2*        A  19  -9.056   0.403  -3.224
  208   2H2*    A  19          2H2*        A  19  -9.400  -1.325  -3.776
  209    H1*    A  19           H1*        A  19  -9.090  -0.853  -5.835
  210    H8     A  19           H8         A  19  -7.914   2.523  -4.113
  211   1H6     A  19          1H6         A  19  -2.604   1.127  -6.851
  212   2H6     A  19          2H6         A  19  -3.557   2.434  -6.191
  213    H2     A  19           H2         A  19  -5.637  -2.020  -8.060
  214   1H5*    T  20          1H5*        T  20 -11.827  -4.519  -3.994
  215   2H5*    T  20          2H5*        T  20 -10.934  -3.454  -5.073
  216    H4*    T  20           H4*        T  20 -10.112  -5.736  -5.240
  217    H3*    T  20           H3*        T  20 -10.279  -6.348  -2.872
  218   1H2*    T  20          1H2*        T  20  -8.938  -4.335  -2.095
  219   2H2*    T  20          2H2*        T  20  -7.760  -5.647  -1.838
  220    H1*    T  20           H1*        T  20  -6.817  -5.345  -4.065
  221    H3     T  20           H3         T  20  -4.113  -1.824  -4.608
  222   1H5M    T  20           H51        T  20  -6.884  -0.388  -0.607
  223   2H5M    T  20           H52        T  20  -6.892   0.867  -1.871
  224   3H5M    T  20           H53        T  20  -8.297  -0.218  -1.591
  225    H6     T  20           H6         T  20  -8.215  -2.501  -2.215
  226   1H5*    G  21          1H5*        G  21  -5.842  -9.683  -3.651
  227   2H5*    G  21          2H5*        G  21  -5.903  -8.269  -4.720
  228    H4*    G  21           H4*        G  21  -3.534  -8.973  -3.798
  229    H3*    G  21           H3*        G  21  -4.834  -9.089  -1.239
  230   1H2*    G  21          1H2*        G  21  -4.703  -6.951  -0.991
  231   2H2*    G  21          2H2*        G  21  -3.085  -7.403  -0.283
  232    H1*    G  21           H1*        G  21  -2.021  -6.976  -2.462
  233    H8     G  21           H8         G  21  -5.365  -5.127  -1.812
  234    H1     G  21           H1         G  21  -0.175  -1.379  -1.759
  235   1H2     G  21          1H2         G  21   1.442  -4.532  -2.227
  236   2H2     G  21          2H2         G  21   1.714  -2.779  -2.238
  237   1H5*    G  22          1H5*        G  22   0.473 -10.403  -2.031
  238   2H5*    G  22          2H5*        G  22  -0.021  -8.843  -2.696
  239    H4*    G  22           H4*        G  22   2.431  -9.048  -2.585
  240    H3*    G  22           H3*        G  22   2.436 -10.456  -0.413
  241   1H2*    G  22          1H2*        G  22   1.238  -8.816   0.841
  242   2H2*    G  22          2H2*        G  22   2.886  -8.538   1.494
  243    H1*    G  22           H1*        G  22   3.336  -6.750   0.040
  244    H8     G  22           H8         G  22  -0.374  -7.534   0.568
  245    H1     G  22           H1         G  22   1.027  -1.319   1.138
  246   1H2     G  22          1H2         G  22   4.265  -2.572   0.356
  247   2H2     G  22          2H2         G  22   3.365  -1.045   0.409
  248   1HN    AP  23           H1        AP  23  -6.390   3.109 -16.383
  249    H2    AP  23           H2        AP  23  -3.174   4.230 -15.646
  250    H3    AP  23           H3        AP  23  -2.535   6.361 -14.108
  251    H4    AP  23           H4        AP  23  -3.301   8.068 -12.534
  252    H5    AP  23           H5        AP  23  -5.167   9.117 -11.154
  253    H6    AP  23           H6        AP  23  -7.679   9.103 -10.408
  254    H7    AP  23           H7        AP  23  -9.811   8.155 -10.561
  255    H8    AP  23           H8        AP  23 -10.230   6.255 -11.957
  256    H9    AP  23           H9        AP  23  -9.452   4.576 -13.625
  257    H10   AP  23           H10       AP  23  -7.791   3.587 -14.868
   
  Start of MODEL    2
    1   1H5*    C   1          1H5*        C   1   0.792   9.424   2.773
    2   2H5*    C   1          2H5*        C   1   1.351   8.002   3.689
    3    H4*    C   1           H4*        C   1   2.991   8.140   1.734
    4    H3*    C   1           H3*        C   1   1.190   9.505   0.083
    5   1H2*    C   1          1H2*        C   1  -0.230   7.549   0.271
    6   2H2*    C   1          2H2*        C   1   0.534   7.460  -1.352
    7    H1*    C   1           H1*        C   1   2.523   6.068  -0.067
    8   1H4     C   1          1H4         C   1  -2.256   1.657   2.074
    9   2H4     C   1          2H4         C   1  -1.309   0.848   0.859
   10    H5     C   1           H5         C   1  -2.074   4.182   2.358
   11    H6     C   1           H6         C   1  -0.640   6.130   1.779
   12    H5T    C   1           H5T        C   1  -0.852   8.069   3.302
   13   1H5*    C   2          1H5*        C   2   5.159   7.824  -3.074
   14   2H5*    C   2          2H5*        C   2   4.651   6.762  -1.745
   15    H4*    C   2           H4*        C   2   5.881   5.578  -3.547
   16    H3*    C   2           H3*        C   2   4.789   6.875  -5.571
   17   1H2*    C   2          1H2*        C   2   2.582   6.470  -4.758
   18   2H2*    C   2          2H2*        C   2   2.637   5.494  -6.152
   19    H1*    C   2           H1*        C   2   3.505   3.479  -4.692
   20   1H4     C   2          1H4         C   2  -2.619   4.164  -2.094
   21   2H4     C   2          2H4         C   2  -2.228   2.454  -2.150
   22    H5     C   2           H5         C   2  -0.788   5.861  -2.332
   23    H6     C   2           H6         C   2   1.488   6.169  -3.190
   24   1H5*    A   3          1H5*        A   3   5.873   2.133  -7.543
   25   2H5*    A   3          2H5*        A   3   5.047   2.182  -5.975
   26    H4*    A   3           H4*        A   3   4.566   0.064  -7.146
   27    H3*    A   3           H3*        A   3   4.444   1.401  -9.574
   28   1H2*    A   3          1H2*        A   3   2.250   2.376  -9.153
   29   2H2*    A   3          2H2*        A   3   1.745   0.716  -9.601
   30    H1*    A   3           H1*        A   3   1.641  -0.264  -7.700
   31    H8     A   3           H8         A   3   1.470   3.608  -7.539
   32   1H6     A   3          1H6         A   3  -4.120   3.100  -4.885
   33   2H6     A   3          2H6         A   3  -3.022   4.216  -5.666
   34    H2     A   3           H2         A   3  -2.577  -1.021  -5.748
   35   1H5*    T   4          1H5*        T   4   3.347  -3.711 -11.295
   36   2H5*    T   4          2H5*        T   4   3.071  -2.970  -9.675
   37    H4*    T   4           H4*        T   4   1.337  -4.416 -10.246
   38    H3*    T   4           H3*        T   4   1.635  -3.656 -12.838
   39   1H2*    T   4          1H2*        T   4   0.429  -1.459 -12.538
   40   2H2*    T   4          2H2*        T   4  -0.943  -2.475 -12.989
   41    H1*    T   4           H1*        T   4  -1.289  -3.035 -10.551
   42    H3     T   4           H3         T   4  -3.530   0.587  -9.030
   43   1H5M    T   4           H51        T   4  -0.129   2.774 -12.294
   44   2H5M    T   4           H52        T   4  -0.400   3.683 -10.815
   45   3H5M    T   4           H53        T   4   1.040   2.698 -10.989
   46    H6     T   4           H6         T   4   0.545   0.153 -11.512
   47   1H5*    C   5          1H5*        C   5  -3.132  -6.000 -12.473
   48   2H5*    C   5          2H5*        C   5  -2.382  -4.725 -11.455
   49    H4*    C   5           H4*        C   5  -4.953  -4.697 -11.805
   50    H3*    C   5           H3*        C   5  -4.263  -4.907 -14.444
   51   1H2*    C   5          1H2*        C   5  -3.293  -2.879 -14.503
   52   2H2*    C   5          2H2*        C   5  -5.021  -2.368 -14.994
   53    H1*    C   5           H1*        C   5  -5.753  -2.062 -12.845
   54   1H4     C   5          1H4         C   5  -2.523   3.670 -12.996
   55   2H4     C   5          2H4         C   5  -3.975   3.816 -12.028
   56    H5     C   5           H5         C   5  -1.949   1.501 -14.062
   57    H6     C   5           H6         C   5  -2.570  -0.924 -14.114
   58   1H5*    G   6          1H5*      APG   6  -9.556  -3.125 -15.042
   59   2H5*    G   6          2H5*      APG   6  -8.129  -2.911 -13.973
   60    H4*    G   6           H4*      APG   6  -9.057  -0.688 -14.786
   61    H3*    G   6           H3*      APG   6  -9.472  -1.875 -17.224
   62   1H2*    G   6          1H2*      APG   6  -7.029  -1.928 -17.681
   63   2H2*    G   6          2H2*      APG   6  -7.557  -0.302 -18.361
   64    H1*    G   6           H1*      APG   6  -7.245   0.826 -16.333
   65    H1     G   6           H1       APG   6  -1.362  -2.760 -17.424
   66   1H2     G   6          1H2       APG   6  -2.645  -4.551 -17.949
   67   2H2     G   6          2H2       APG   6  -4.288  -4.585 -17.281
   68   1H5*    C   7          1H5*        C   7 -12.738  -0.001 -14.819
   69   2H5*    C   7          2H5*        C   7 -10.983   0.263 -14.846
   70    H4*    C   7           H4*        C   7 -12.313   2.268 -14.162
   71    H3*    C   7           H3*        C   7 -13.764   2.071 -16.451
   72   1H2*    C   7          1H2*        C   7 -11.808   2.831 -17.621
   73   2H2*    C   7          2H2*        C   7 -12.786   4.305 -17.510
   74    H1*    C   7           H1*        C   7 -11.414   4.745 -15.260
   75   1H4     C   7          1H4         C   7  -5.724   4.654 -18.845
   76   2H4     C   7          2H4         C   7  -5.868   6.113 -17.890
   77    H5     C   7           H5         C   7  -7.443   2.754 -18.354
   78    H6     C   7           H6         C   7  -9.744   2.391 -17.294
   79   1H5*    T   8          1H5*        T   8 -15.825   6.929 -14.596
   80   2H5*    T   8          2H5*        T   8 -14.260   6.219 -14.274
   81    H4*    T   8           H4*        T   8 -14.011   8.382 -15.191
   82    H3*    T   8           H3*        T   8 -16.029   7.658 -17.200
   83   1H2*    T   8          1H2*        T   8 -14.224   6.932 -18.715
   84   2H2*    T   8          2H2*        T   8 -14.304   8.713 -19.047
   85    H1*    T   8           H1*        T   8 -12.624   9.023 -17.124
   86    H3     T   8           H3         T   8  -8.575   8.267 -18.698
   87   1H5M    T   8           H51        T   8 -11.236   4.974 -21.743
   88   2H5M    T   8           H52        T   8  -9.754   4.340 -21.008
   89   3H5M    T   8           H53        T   8 -11.287   3.935 -20.314
   90    H6     T   8           H6         T   8 -12.742   6.013 -19.312
   91   1H5*    A   9          1H5*        A   9 -15.778  12.935 -16.556
   92   2H5*    A   9          2H5*        A   9 -14.317  11.901 -16.310
   93    H4*    A   9           H4*        A   9 -13.660  14.385 -16.787
   94    H3*    A   9           H3*        A   9 -15.607  14.105 -18.801
   95   1H2*    A   9          1H2*        A   9 -14.363  12.723 -20.255
   96   2H2*    A   9          2H2*        A   9 -13.487  14.215 -20.729
   97    H1*    A   9           H1*        A   9 -11.998  14.354 -19.222
   98    H8     A   9           H8         A   9 -13.387  10.694 -20.216
   99   1H6     A   9          1H6         A   9  -7.636   9.146 -21.778
  100   2H6     A   9          2H6         A   9  -9.274   8.501 -21.688
  101    H2     A   9           H2         A   9  -7.352  13.040 -20.150
  102   1H5*    C  10          1H5*        C  10 -13.188  18.862 -19.914
  103   2H5*    C  10          2H5*        C  10 -12.582  17.391 -19.161
  104    H4*    C  10           H4*        C  10 -10.839  18.693 -20.256
  105    H3*    C  10           H3*        C  10 -12.534  19.273 -22.274
  106   1H2*    C  10          1H2*        C  10 -12.710  17.037 -22.945
  107   2H2*    C  10          2H2*        C  10 -11.449  17.579 -24.144
  108    H1*    C  10           H1*        C  10  -9.677  16.870 -22.858
  109   1H4     C  10          1H4         C  10 -12.097  10.817 -23.882
  110   2H4     C  10          2H4         C  10 -10.339  10.658 -23.793
  111    H5     C  10           H5         C  10 -13.208  12.815 -23.307
  112    H6     C  10           H6         C  10 -12.973  14.970 -22.510
  113   1H5*    C  11          1H5*        C  11  -8.298  20.366 -25.685
  114   2H5*    C  11          2H5*        C  11  -8.035  19.061 -24.473
  115    H4*    C  11           H4*        C  11  -7.207  18.716 -26.703
  116    H3*    C  11           H3*        C  11 -10.048  18.934 -27.402
  117   1H2*    C  11          1H2*        C  11  -9.846  16.632 -28.667
  118   2H2*    C  11          2H2*        C  11  -8.327  17.128 -29.131
  119    H1*    C  11           H1*        C  11  -7.421  16.143 -27.899
  120   1H4     C  11          1H4         C  11 -12.392  12.057 -26.094
  121   2H4     C  11          2H4         C  11 -11.092  10.999 -26.646
  122    H5     C  11           H5         C  11 -12.264  14.340 -26.039
  123    H6     C  11           H6         C  11 -10.665  16.380 -26.503
  124   1H5*    G  12          1H5*        G  12  -4.506   2.153 -28.661
  125   2H5*    G  12          2H5*        G  12  -5.820   2.683 -29.699
  126    H4*    G  12           H4*        G  12  -3.735   3.922 -30.169
  127    H3*    G  12           H3*        G  12  -2.874   3.947 -27.750
  128   1H2*    G  12          1H2*        G  12  -5.178   4.963 -27.039
  129   2H2*    G  12          2H2*        G  12  -4.022   6.232 -26.696
  130    H1*    G  12           H1*        G  12  -4.400   7.161 -28.987
  131    H8     G  12           H8         G  12  -7.334   5.122 -28.209
  132    H1     G  12           H1         G  12  -8.247  11.414 -27.364
  133   1H2     G  12          1H2         G  12  -4.784  11.420 -27.942
  134   2H2     G  12          2H2         G  12  -6.218  12.449 -27.919
  135    H5T    G  12           H5T        G  12  -5.443   3.333 -26.952
  136   1H5*    G  13          1H5*        G  13  -0.168   8.670 -28.801
  137   2H5*    G  13          2H5*        G  13  -1.843   8.935 -29.318
  138    H4*    G  13           H4*        G  13  -0.851  10.955 -28.426
  139    H3*    G  13           H3*        G  13   0.127   9.474 -26.245
  140   1H2*    G  13          1H2*        G  13  -1.963   9.200 -25.155
  141   2H2*    G  13          2H2*        G  13  -1.533  10.843 -24.559
  142    H1*    G  13           H1*        G  13  -2.557  11.963 -25.834
  143    H8     G  13           H8         G  13  -3.953   8.391 -25.770
  144    H1     G  13           H1         G  13  -7.977  12.953 -23.920
  145   1H2     G  13          1H2         G  13  -5.212  15.022 -24.829
  146   2H2     G  13          2H2         G  13  -6.844  14.993 -24.114
  147   1H5*    T  14          1H5*        T  14   0.572  14.622 -24.439
  148   2H5*    T  14          2H5*        T  14  -0.856  14.117 -25.355
  149    H4*    T  14           H4*        T  14  -1.276  15.888 -23.755
  150    H3*    T  14           H3*        T  14   0.460  14.834 -22.086
  151   1H2*    T  14          1H2*        T  14  -0.639  12.830 -21.730
  152   2H2*    T  14          2H2*        T  14  -1.234  13.719 -20.253
  153    H1*    T  14           H1*        T  14  -3.113  14.520 -21.206
  154    H3     T  14           H3         T  14  -6.284  11.493 -21.183
  155   1H5M    T  14           H51        T  14  -3.460   8.017 -22.163
  156   2H5M    T  14           H52        T  14  -2.745   8.584 -23.605
  157   3H5M    T  14           H53        T  14  -1.816   8.677 -22.102
  158    H6     T  14           H6         T  14  -1.704  11.362 -22.475
  159   1H5*    A  15          1H5*        A  15  -2.709  17.208 -17.926
  160   2H5*    A  15          2H5*        A  15  -3.058  16.556 -19.526
  161    H4*    A  15           H4*        A  15  -4.376  15.671 -17.749
  162    H3*    A  15           H3*        A  15  -1.810  14.924 -16.500
  163   1H2*    A  15          1H2*        A  15  -2.076  12.774 -16.694
  164   2H2*    A  15          2H2*        A  15  -3.600  12.848 -15.706
  165    H1*    A  15           H1*        A  15  -4.974  13.436 -17.284
  166    H8     A  15           H8         A  15  -2.073  11.357 -18.857
  167   1H6     A  15          1H6         A  15  -6.519   7.072 -19.360
  168   2H6     A  15          2H6         A  15  -4.794   7.359 -19.600
  169    H2     A  15           H2         A  15  -8.290  10.601 -17.441
  170   1H5*    G  16          1H5*        G  16  -5.490  16.242 -11.807
  171   2H5*    G  16          2H5*        G  16  -5.738  16.085 -13.522
  172    H4*    G  16           H4*        G  16  -6.800  14.364 -12.333
  173    H3*    G  16           H3*        G  16  -4.062  13.769 -11.088
  174   1H2*    G  16          1H2*        G  16  -4.289  11.628 -11.259
  175   2H2*    G  16          2H2*        G  16  -5.969  11.752 -10.492
  176    H1*    G  16           H1*        G  16  -6.987  12.170 -12.634
  177    H8     G  16           H8         G  16  -3.398  10.966 -13.459
  178    H1     G  16           H1         G  16  -8.052   7.435 -16.085
  179   1H2     G  16          1H2         G  16 -10.101   9.790 -14.403
  180   2H2     G  16          2H2         G  16 -10.071   8.303 -15.367
  181   1H5*    A  17          1H5*        A  17  -7.343  12.113  -6.930
  182   2H5*    A  17          2H5*        A  17  -7.394  11.862  -8.656
  183    H4*    A  17           H4*        A  17  -8.028   9.907  -7.541
  184    H3*    A  17           H3*        A  17  -6.862  10.198  -5.291
  185   1H2*    A  17          1H2*        A  17  -4.596  10.133  -6.143
  186   2H2*    A  17          2H2*        A  17  -4.897   8.410  -5.486
  187    H1*    A  17           H1*        A  17  -5.346   7.546  -7.743
  188    H8     A  17           H8         A  17  -3.488  11.145  -8.520
  189   1H6     A  17          1H6         A  17   0.401   7.970 -11.826
  190   2H6     A  17          2H6         A  17  -0.270   9.534 -11.382
  191    H2     A  17           H2         A  17  -2.539   4.968 -10.225
  192   1H5*    G  18          1H5*        G  18 -10.637   5.924  -4.127
  193   2H5*    G  18          2H5*        G  18 -11.313   7.264  -5.085
  194    H4*    G  18           H4*        G  18 -12.186   5.283  -5.985
  195    H3*    G  18           H3*        G  18  -9.308   4.327  -6.379
  196   1H2*    G  18          1H2*        G  18 -10.451   2.930  -8.092
  197   2H2*    G  18          2H2*        G  18 -12.010   3.720  -7.650
  198    H1*    G  18           H1*        G  18 -11.130   5.163  -9.317
  199    H8     G  18           H8         G  18  -8.384   7.161  -7.910
  200    H1     G  18           H1         G  18  -6.143   2.228 -11.249
  201   1H2     G  18          1H2         G  18  -9.387   0.991 -10.978
  202   2H2     G  18          2H2         G  18  -7.741   0.726 -11.581
  203   1H5*    A  19          1H5*        A  19 -12.486  -0.345  -3.190
  204   2H5*    A  19          2H5*        A  19 -12.300  -0.359  -4.938
  205    H4*    A  19           H4*        A  19 -10.484  -1.836  -3.986
  206    H3*    A  19           H3*        A  19 -10.462   0.378  -1.996
  207   1H2*    A  19          1H2*        A  19  -8.229   1.002  -2.379
  208   2H2*    A  19          2H2*        A  19  -7.832  -0.741  -2.226
  209    H1*    A  19           H1*        A  19  -7.673  -1.133  -4.303
  210    H8     A  19           H8         A  19  -7.841   2.827  -3.941
  211   1H6     A  19          1H6         A  19  -4.062   2.914  -8.695
  212   2H6     A  19          2H6         A  19  -5.114   3.885  -7.697
  213    H2     A  19           H2         A  19  -5.577  -1.313  -8.305
  214   1H5*    T  20          1H5*        T  20  -8.836  -4.458  -0.194
  215   2H5*    T  20          2H5*        T  20  -9.218  -3.498  -1.636
  216    H4*    T  20           H4*        T  20  -7.489  -5.096  -2.160
  217    H3*    T  20           H3*        T  20  -6.633  -5.031   0.302
  218   1H2*    T  20          1H2*        T  20  -5.820  -2.661   0.304
  219   2H2*    T  20          2H2*        T  20  -4.289  -3.433  -0.134
  220    H1*    T  20           H1*        T  20  -4.583  -3.439  -2.480
  221    H3     T  20           H3         T  20  -4.177   0.623  -4.385
  222   1H5M    T  20           H51        T  20  -6.470   2.748  -0.758
  223   2H5M    T  20           H52        T  20  -7.488   1.368  -0.353
  224   3H5M    T  20           H53        T  20  -5.952   1.591   0.490
  225    H6     T  20           H6         T  20  -6.315  -0.871  -0.422
  226   1H5*    G  21          1H5*        G  21  -2.186  -8.298  -0.574
  227   2H5*    G  21          2H5*        G  21  -2.555  -7.282  -1.982
  228    H4*    G  21           H4*        G  21   0.097  -7.473  -1.686
  229    H3*    G  21           H3*        G  21  -0.291  -7.551   0.994
  230   1H2*    G  21          1H2*        G  21  -0.987  -5.433   1.156
  231   2H2*    G  21          2H2*        G  21   0.741  -5.200   1.470
  232    H1*    G  21           H1*        G  21   1.182  -4.739  -1.024
  233    H8     G  21           H8         G  21  -2.151  -3.887   0.793
  234    H1     G  21           H1         G  21  -0.337   0.666  -3.313
  235   1H2     G  21          1H2         G  21   2.248  -1.594  -4.055
  236   2H2     G  21          2H2         G  21   1.543  -0.062  -4.508
  237   1H5*    G  22          1H5*        G  22   5.237  -7.870  -0.385
  238   2H5*    G  22          2H5*        G  22   3.897  -7.062  -1.244
  239    H4*    G  22           H4*        G  22   6.045  -6.066  -1.781
  240    H3*    G  22           H3*        G  22   6.960  -6.302   0.711
  241   1H2*    G  22          1H2*        G  22   5.204  -4.914   1.616
  242   2H2*    G  22          2H2*        G  22   6.651  -3.830   1.561
  243    H1*    G  22           H1*        G  22   5.896  -2.857  -0.555
  244    H8     G  22           H8         G  22   3.186  -4.733   1.463
  245    H1     G  22           H1         G  22   1.345   1.159  -0.115
  246   1H2     G  22          1H2         G  22   4.460   1.245  -1.769
  247   2H2     G  22          2H2         G  22   3.003   2.167  -1.378
  248   1HN    AP  23           H1        AP  23  -6.406   2.524 -16.372
  249    H2    AP  23           H2        AP  23  -3.076   3.391 -15.917
  250    H3    AP  23           H3        AP  23  -2.198   5.570 -14.565
  251    H4    AP  23           H4        AP  23  -2.733   7.403 -13.036
  252    H5    AP  23           H5        AP  23  -4.408   8.661 -11.615
  253    H6    AP  23           H6        AP  23  -6.902   8.923 -10.739
  254    H7    AP  23           H7        AP  23  -9.137   8.097 -10.736
  255    H8    AP  23           H8        AP  23  -9.760   6.212 -11.970
  256    H9    AP  23           H9        AP  23  -9.196   4.334 -13.543
  257    H10   AP  23           H10       AP  23  -7.676   3.169 -14.862
   
  Start of MODEL    3
    1   1H5*    C   1          1H5*        C   1   2.299  12.128  -4.052
    2   2H5*    C   1          2H5*        C   1   2.636  11.434  -2.444
    3    H4*    C   1           H4*        C   1   4.528  10.430  -3.825
    4    H3*    C   1           H3*        C   1   3.207  10.768  -6.204
    5   1H2*    C   1          1H2*        C   1   1.471   9.235  -5.291
    6   2H2*    C   1          2H2*        C   1   2.440   8.195  -6.411
    7    H1*    C   1           H1*        C   1   4.065   7.739  -4.470
    8   1H4     C   1          1H4         C   1  -1.383   5.212  -1.256
    9   2H4     C   1          2H4         C   1  -0.215   3.908  -1.374
   10    H5     C   1           H5         C   1  -0.983   7.402  -2.188
   11    H6     C   1           H6         C   1   0.653   8.790  -3.414
   12    H5T    C   1           H5T        C   1   0.632  10.887  -4.304
   13   1H5*    C   2          1H5*        C   2   7.584   7.731  -7.552
   14   2H5*    C   2          2H5*        C   2   6.984   7.362  -5.934
   15    H4*    C   2           H4*        C   2   8.210   5.463  -6.875
   16    H3*    C   2           H3*        C   2   7.286   5.783  -9.375
   17   1H2*    C   2          1H2*        C   2   5.042   5.764  -8.709
   18   2H2*    C   2          2H2*        C   2   5.247   4.213  -9.470
   19    H1*    C   2           H1*        C   2   5.909   3.124  -7.244
   20   1H4     C   2          1H4         C   2  -0.256   5.068  -5.324
   21   2H4     C   2          2H4         C   2  -0.226   3.321  -5.146
   22    H5     C   2           H5         C   2   1.518   6.285  -6.358
   23    H6     C   2           H6         C   2   3.861   6.164  -7.134
   24   1H5*    A   3          1H5*        A   3   7.953   0.336 -10.125
   25   2H5*    A   3          2H5*        A   3   7.324   0.820  -8.519
   26    H4*    A   3           H4*        A   3   6.504  -1.436  -9.330
   27    H3*    A   3           H3*        A   3   6.272  -0.197 -11.801
   28   1H2*    A   3          1H2*        A   3   4.088   0.808 -11.362
   29   2H2*    A   3          2H2*        A   3   3.501  -0.869 -11.643
   30    H1*    A   3           H1*        A   3   3.560  -1.647  -9.628
   31    H8     A   3           H8         A   3   3.619   2.170  -9.745
   32   1H6     A   3          1H6         A   3  -2.012   2.138  -7.007
   33   2H6     A   3          2H6         A   3  -0.824   3.203  -7.729
   34    H2     A   3           H2         A   3  -0.687  -2.038  -7.593
   35   1H5*    T   4          1H5*        T   4   3.935  -4.880 -13.834
   36   2H5*    T   4          2H5*        T   4   3.997  -4.362 -12.149
   37    H4*    T   4           H4*        T   4   2.033  -5.513 -12.358
   38    H3*    T   4           H3*        T   4   1.364  -4.993 -14.856
   39   1H2*    T   4          1H2*        T   4   0.917  -2.523 -14.291
   40   2H2*    T   4          2H2*        T   4  -0.655  -3.214 -14.393
   41    H1*    T   4           H1*        T   4  -0.536  -3.707 -11.829
   42    H3     T   4           H3         T   4  -1.772   0.332 -10.312
   43   1H5M    T   4           H51        T   4   1.407   1.861 -13.950
   44   2H5M    T   4           H52        T   4   1.776   2.553 -12.369
   45   3H5M    T   4           H53        T   4   2.818   1.290 -13.069
   46    H6     T   4           H6         T   4   1.764  -1.109 -13.211
   47   1H5*    C   5          1H5*        C   5  -3.368  -6.254 -11.875
   48   2H5*    C   5          2H5*        C   5  -3.083  -4.783 -10.922
   49    H4*    C   5           H4*        C   5  -5.423  -5.053 -11.728
   50    H3*    C   5           H3*        C   5  -4.420  -5.661 -14.192
   51   1H2*    C   5          1H2*        C   5  -3.465  -3.624 -14.574
   52   2H2*    C   5          2H2*        C   5  -5.085  -3.218 -15.341
   53    H1*    C   5           H1*        C   5  -6.101  -2.452 -13.476
   54   1H4     C   5          1H4         C   5  -2.117   2.808 -13.332
   55   2H4     C   5          2H4         C   5  -3.602   3.154 -12.447
   56    H5     C   5           H5         C   5  -1.684   0.533 -14.134
   57    H6     C   5           H6         C   5  -2.625  -1.732 -14.294
   58   1H5*    G   6          1H5*      APG   6  -9.436  -3.322 -15.427
   59   2H5*    G   6          2H5*      APG   6  -8.267  -2.972 -14.133
   60    H4*    G   6           H4*      APG   6  -9.204  -0.824 -15.097
   61    H3*    G   6           H3*      APG   6  -9.280  -2.077 -17.528
   62   1H2*    G   6          1H2*      APG   6  -6.857  -1.932 -17.751
   63   2H2*    G   6          2H2*      APG   6  -7.408  -0.358 -18.526
   64    H1*    G   6           H1*      APG   6  -7.287   0.826 -16.496
   65    H1     G   6           H1       APG   6  -1.392  -2.843 -17.614
   66   1H2     G   6          1H2       APG   6  -2.707  -4.685 -18.035
   67   2H2     G   6          2H2       APG   6  -4.386  -4.605 -17.504
   68   1H5*    C   7          1H5*        C   7 -13.200  -0.317 -15.604
   69   2H5*    C   7          2H5*        C   7 -11.447  -0.400 -15.286
   70    H4*    C   7           H4*        C   7 -12.642   1.669 -14.484
   71    H3*    C   7           H3*        C   7 -13.860   1.799 -16.945
   72   1H2*    C   7          1H2*        C   7 -11.883   2.725 -17.898
   73   2H2*    C   7          2H2*        C   7 -12.813   4.205 -17.443
   74    H1*    C   7           H1*        C   7 -11.545   4.197 -15.158
   75   1H4     C   7          1H4         C   7  -5.819   4.555 -18.612
   76   2H4     C   7          2H4         C   7  -6.009   6.014 -17.648
   77    H5     C   7           H5         C   7  -7.537   2.716 -18.496
   78    H6     C   7           H6         C   7  -9.847   2.194 -17.479
   79   1H5*    T   8          1H5*        T   8 -16.580   6.473 -14.980
   80   2H5*    T   8          2H5*        T   8 -14.956   5.929 -14.495
   81    H4*    T   8           H4*        T   8 -14.971   8.154 -15.484
   82    H3*    T   8           H3*        T   8 -16.758   7.198 -17.445
   83   1H2*    T   8          1H2*        T   8 -14.793   6.361 -18.806
   84   2H2*    T   8          2H2*        T   8 -15.048   8.055 -19.348
   85    H1*    T   8           H1*        T   8 -13.418   8.752 -17.386
   86    H3     T   8           H3         T   8  -9.175   8.037 -18.563
   87   1H5M    T   8           H51        T   8 -11.802   4.518 -21.527
   88   2H5M    T   8           H52        T   8 -10.075   4.416 -21.214
   89   3H5M    T   8           H53        T   8 -11.188   3.537 -20.175
   90    H6     T   8           H6         T   8 -13.207   5.607 -19.400
   91   1H5*    A   9          1H5*        A   9 -17.099  12.678 -17.225
   92   2H5*    A   9          2H5*        A   9 -15.830  11.478 -16.693
   93    H4*    A   9           H4*        A   9 -14.818  13.775 -17.271
   94    H3*    A   9           H3*        A   9 -16.624  13.574 -19.430
   95   1H2*    A   9          1H2*        A   9 -15.309  12.032 -20.754
   96   2H2*    A   9          2H2*        A   9 -14.437  13.593 -21.082
   97    H1*    A   9           H1*        A   9 -13.053  13.644 -19.567
   98    H8     A   9           H8         A   9 -14.355  10.177 -20.631
   99   1H6     A   9          1H6         A   9  -8.310   8.833 -21.727
  100   2H6     A   9          2H6         A   9  -9.902   8.085 -21.890
  101    H2     A   9           H2         A   9  -8.587  12.803 -19.985
  102   1H5*    C  10          1H5*        C  10 -13.437  17.903 -19.706
  103   2H5*    C  10          2H5*        C  10 -12.903  16.316 -19.144
  104    H4*    C  10           H4*        C  10 -11.037  17.623 -20.097
  105    H3*    C  10           H3*        C  10 -12.655  18.628 -22.066
  106   1H2*    C  10          1H2*        C  10 -13.186  16.299 -22.872
  107   2H2*    C  10          2H2*        C  10 -12.000  16.991 -24.072
  108    H1*    C  10           H1*        C  10 -10.228  16.134 -22.962
  109   1H4     C  10          1H4         C  10 -12.399  10.067 -24.515
  110   2H4     C  10          2H4         C  10 -10.649  10.204 -24.513
  111    H5     C  10           H5         C  10 -13.745  12.177 -23.740
  112    H6     C  10           H6         C  10 -13.470  14.432 -22.905
  113   1H5*    C  11          1H5*        C  11  -8.018  18.214 -23.657
  114   2H5*    C  11          2H5*        C  11  -9.530  17.569 -24.297
  115    H4*    C  11           H4*        C  11  -7.272  18.668 -25.921
  116    H3*    C  11           H3*        C  11 -10.094  18.701 -26.611
  117   1H2*    C  11          1H2*        C  11  -9.882  16.835 -28.478
  118   2H2*    C  11          2H2*        C  11  -8.406  17.488 -28.797
  119    H1*    C  11           H1*        C  11  -7.349  16.250 -28.031
  120   1H4     C  11          1H4         C  11 -11.913  11.576 -26.494
  121   2H4     C  11          2H4         C  11 -10.711  10.773 -27.513
  122    H5     C  11           H5         C  11 -11.825  13.794 -25.959
  123    H6     C  11           H6         C  11 -10.330  15.979 -26.206
  124   1H5*    G  12          1H5*        G  12  -4.162   2.489 -29.831
  125   2H5*    G  12          2H5*        G  12  -4.924   3.206 -31.264
  126    H4*    G  12           H4*        G  12  -2.824   4.320 -30.801
  127    H3*    G  12           H3*        G  12  -2.705   4.005 -28.267
  128   1H2*    G  12          1H2*        G  12  -5.144   4.938 -28.097
  129   2H2*    G  12          2H2*        G  12  -4.181   6.157 -27.264
  130    H1*    G  12           H1*        G  12  -3.764   7.345 -29.361
  131    H8     G  12           H8         G  12  -6.977   5.358 -29.343
  132    H1     G  12           H1         G  12  -7.754  11.650 -28.666
  133   1H2     G  12          1H2         G  12  -4.274  11.703 -28.656
  134   2H2     G  12          2H2         G  12  -5.756  12.658 -28.877
  135    H5T    G  12           H5T        G  12  -6.538   3.028 -29.779
  136   1H5*    G  13          1H5*        G  13   0.258   8.739 -28.069
  137   2H5*    G  13          2H5*        G  13  -1.168   9.099 -29.064
  138    H4*    G  13           H4*        G  13  -0.359  11.128 -27.958
  139    H3*    G  13           H3*        G  13   0.164   9.704 -25.594
  140   1H2*    G  13          1H2*        G  13  -2.089   9.242 -25.007
  141   2H2*    G  13          2H2*        G  13  -1.899  10.845 -24.290
  142    H1*    G  13           H1*        G  13  -2.690  12.026 -25.657
  143    H8     G  13           H8         G  13  -3.826   8.442 -26.296
  144    H1     G  13           H1         G  13  -8.370  12.403 -24.219
  145   1H2     G  13          1H2         G  13  -5.703  14.712 -24.221
  146   2H2     G  13          2H2         G  13  -7.462  14.497 -24.101
  147   1H5*    T  14          1H5*        T  14  -0.312  14.806 -24.434
  148   2H5*    T  14          2H5*        T  14  -1.687  14.130 -25.306
  149    H4*    T  14           H4*        T  14  -2.286  16.119 -23.909
  150    H3*    T  14           H3*        T  14  -0.519  15.150 -22.114
  151   1H2*    T  14          1H2*        T  14  -1.645  13.229 -21.703
  152   2H2*    T  14          2H2*        T  14  -2.275  14.196 -20.269
  153    H1*    T  14           H1*        T  14  -4.124  14.913 -21.295
  154    H3     T  14           H3         T  14  -7.337  11.759 -21.242
  155   1H5M    T  14           H51        T  14  -4.395   8.377 -22.404
  156   2H5M    T  14           H52        T  14  -3.665   9.240 -23.745
  157   3H5M    T  14           H53        T  14  -2.793   9.132 -22.211
  158    H6     T  14           H6         T  14  -2.724  11.734 -22.528
  159   1H5*    A  15          1H5*        A  15  -3.695  17.326 -18.146
  160   2H5*    A  15          2H5*        A  15  -4.166  16.703 -19.736
  161    H4*    A  15           H4*        A  15  -5.491  15.694 -17.974
  162    H3*    A  15           H3*        A  15  -2.806  15.126 -16.795
  163   1H2*    A  15          1H2*        A  15  -2.942  12.999 -17.031
  164   2H2*    A  15          2H2*        A  15  -4.432  12.972 -15.954
  165    H1*    A  15           H1*        A  15  -5.884  13.370 -17.558
  166    H8     A  15           H8         A  15  -2.868  11.526 -19.183
  167   1H6     A  15          1H6         A  15  -6.893   6.845 -19.477
  168   2H6     A  15          2H6         A  15  -5.201   7.291 -19.691
  169    H2     A  15           H2         A  15  -8.923  10.284 -17.507
  170   1H5*    G  16          1H5*        G  16  -6.087  16.390 -11.781
  171   2H5*    G  16          2H5*        G  16  -6.669  16.007 -13.405
  172    H4*    G  16           H4*        G  16  -7.137  14.262 -11.813
  173    H3*    G  16           H3*        G  16  -4.203  13.746 -11.685
  174   1H2*    G  16          1H2*        G  16  -4.695  11.668 -11.297
  175   2H2*    G  16          2H2*        G  16  -6.342  11.936 -10.536
  176    H1*    G  16           H1*        G  16  -7.437  12.144 -12.684
  177    H8     G  16           H8         G  16  -3.798  11.377 -13.581
  178    H1     G  16           H1         G  16  -8.133   7.257 -15.875
  179   1H2     G  16          1H2         G  16 -10.416   9.333 -14.162
  180   2H2     G  16          2H2         G  16 -10.151   7.829 -15.064
  181   1H5*    A  17          1H5*        A  17  -7.813  11.945  -7.214
  182   2H5*    A  17          2H5*        A  17  -7.684  11.285  -8.854
  183    H4*    A  17           H4*        A  17  -7.674   9.507  -7.423
  184    H3*    A  17           H3*        A  17  -6.904  10.702  -5.336
  185   1H2*    A  17          1H2*        A  17  -4.612  11.063  -6.155
  186   2H2*    A  17          2H2*        A  17  -4.431   9.511  -5.093
  187    H1*    A  17           H1*        A  17  -4.715   8.068  -7.142
  188    H8     A  17           H8         A  17  -3.581  11.483  -8.750
  189   1H6     A  17          1H6         A  17   2.051   9.017  -9.102
  190   2H6     A  17          2H6         A  17   0.960  10.179  -9.853
  191    H2     A  17           H2         A  17  -0.532   6.087  -6.958
  192   1H5*    G  18          1H5*        G  18 -10.665   7.971  -5.117
  193   2H5*    G  18          2H5*        G  18 -10.660   8.788  -6.686
  194    H4*    G  18           H4*        G  18 -11.923   6.667  -6.836
  195    H3*    G  18           H3*        G  18  -9.331   5.387  -5.915
  196   1H2*    G  18          1H2*        G  18 -10.036   3.456  -7.344
  197   2H2*    G  18          2H2*        G  18 -11.603   4.287  -7.593
  198    H1*    G  18           H1*        G  18 -10.618   5.090  -9.411
  199    H8     G  18           H8         G  18  -7.552   6.962  -8.328
  200    H1     G  18           H1         G  18  -6.190   1.789 -11.789
  201   1H2     G  18          1H2         G  18  -9.517   0.846 -11.173
  202   2H2     G  18          2H2         G  18  -7.992   0.504 -12.002
  203   1H5*    A  19          1H5*        A  19 -12.258   0.764  -5.772
  204   2H5*    A  19          2H5*        A  19 -11.974   1.676  -7.265
  205    H4*    A  19           H4*        A  19 -10.731  -0.505  -7.029
  206    H3*    A  19           H3*        A  19  -9.825   0.796  -4.547
  207   1H2*    A  19          1H2*        A  19  -7.584   0.855  -5.236
  208   2H2*    A  19          2H2*        A  19  -7.696  -0.965  -5.523
  209    H1*    A  19           H1*        A  19  -7.961  -0.769  -7.619
  210    H8     A  19           H8         A  19  -7.291   2.990  -6.761
  211   1H6     A  19          1H6         A  19  -2.059   2.285  -9.955
  212   2H6     A  19          2H6         A  19  -3.224   3.445  -9.350
  213    H2     A  19           H2         A  19  -4.201  -1.609 -10.084
  214   1H5*    T  20          1H5*        T  20  -9.133  -4.653  -4.560
  215   2H5*    T  20          2H5*        T  20  -9.065  -3.510  -5.925
  216    H4*    T  20           H4*        T  20  -7.492  -5.379  -6.274
  217    H3*    T  20           H3*        T  20  -7.012  -5.608  -3.738
  218   1H2*    T  20          1H2*        T  20  -6.185  -3.275  -3.637
  219   2H2*    T  20          2H2*        T  20  -4.623  -4.185  -3.616
  220    H1*    T  20           H1*        T  20  -4.452  -4.089  -6.050
  221    H3     T  20           H3         T  20  -2.717  -0.055  -7.247
  222   1H5M    T  20           H51        T  20  -6.496   1.235  -3.796
  223   2H5M    T  20           H52        T  20  -5.196   0.705  -2.739
  224   3H5M    T  20           H53        T  20  -4.979   2.151  -3.760
  225    H6     T  20           H6         T  20  -5.986  -1.352  -4.030
  226   1H5*    G  21          1H5*        G  21  -2.191  -8.211  -4.433
  227   2H5*    G  21          2H5*        G  21  -2.370  -7.109  -5.801
  228    H4*    G  21           H4*        G  21   0.003  -7.089  -4.927
  229    H3*    G  21           H3*        G  21  -1.194  -6.978  -2.335
  230   1H2*    G  21          1H2*        G  21  -1.616  -4.782  -2.533
  231   2H2*    G  21          2H2*        G  21  -0.018  -4.645  -1.766
  232    H1*    G  21           H1*        G  21   1.051  -4.604  -4.045
  233    H8     G  21           H8         G  21  -2.460  -3.239  -3.447
  234    H1     G  21           H1         G  21   1.757   1.171  -5.351
  235   1H2     G  21          1H2         G  21   3.916  -1.564  -5.242
  236   2H2     G  21          2H2         G  21   3.719   0.106  -5.835
  237   1H5*    G  22          1H5*        G  22   4.114  -6.318  -3.141
  238   2H5*    G  22          2H5*        G  22   2.994  -5.411  -4.170
  239    H4*    G  22           H4*        G  22   5.131  -4.388  -4.280
  240    H3*    G  22           H3*        G  22   5.696  -5.087  -1.720
  241   1H2*    G  22          1H2*        G  22   3.966  -3.677  -0.867
  242   2H2*    G  22          2H2*        G  22   5.436  -2.731  -0.502
  243    H1*    G  22           H1*        G  22   5.240  -1.536  -2.665
  244    H8     G  22           H8         G  22   2.095  -2.849  -0.988
  245    H1     G  22           H1         G  22   2.191   3.403  -2.458
  246   1H2     G  22          1H2         G  22   5.263   2.381  -3.915
  247   2H2     G  22          2H2         G  22   4.219   3.764  -3.545
  248   1HN    AP  23           H1        AP  23  -6.342   2.541 -16.414
  249    H2    AP  23           H2        AP  23  -3.028   3.378 -15.907
  250    H3    AP  23           H3        AP  23  -2.112   5.512 -14.501
  251    H4    AP  23           H4        AP  23  -2.622   7.378 -12.959
  252    H5    AP  23           H5        AP  23  -4.331   8.675 -11.557
  253    H6    AP  23           H6        AP  23  -6.847   8.961 -10.762
  254    H7    AP  23           H7        AP  23  -9.072   8.188 -10.841
  255    H8    AP  23           H8        AP  23  -9.690   6.307 -12.083
  256    H9    AP  23           H9        AP  23  -9.109   4.411 -13.631
  257    H10   AP  23           H10       AP  23  -7.571   3.217 -14.911
   
  Start of MODEL    4
    1   1H5*    C   1          1H5*        C   1   5.426   9.793  -2.708
    2   2H5*    C   1          2H5*        C   1   5.645   8.859  -1.162
    3    H4*    C   1           H4*        C   1   7.259   7.775  -2.854
    4    H3*    C   1           H3*        C   1   5.990   8.891  -4.973
    5   1H2*    C   1          1H2*        C   1   3.986   7.657  -4.333
    6   2H2*    C   1          2H2*        C   1   4.644   6.694  -5.712
    7    H1*    C   1           H1*        C   1   6.217   5.464  -4.025
    8   1H4     C   1          1H4         C   1   0.342   2.859  -1.849
    9   2H4     C   1          2H4         C   1   1.551   1.578  -1.910
   10    H5     C   1           H5         C   1   1.053   5.201  -2.039
   11    H6     C   1           H6         C   1   2.950   6.680  -2.872
   12    H5T    C   1           H5T        C   1   4.013   7.562  -1.879
   13   1H5*    C   2          1H5*        C   2   9.530   5.507  -7.609
   14   2H5*    C   2          2H5*        C   2   8.961   5.252  -5.939
   15    H4*    C   2           H4*        C   2   9.687   3.129  -6.948
   16    H3*    C   2           H3*        C   2   8.824   3.958  -9.476
   17   1H2*    C   2          1H2*        C   2   6.647   4.180  -8.793
   18   2H2*    C   2          2H2*        C   2   6.601   2.615  -9.575
   19    H1*    C   2           H1*        C   2   7.051   1.364  -7.580
   20   1H4     C   2          1H4         C   2   1.260   4.044  -5.253
   21   2H4     C   2          2H4         C   2   1.128   2.304  -5.193
   22    H5     C   2           H5         C   2   3.221   5.127  -6.347
   23    H6     C   2           H6         C   2   5.505   4.735  -7.186
   24   1H5*    A   3          1H5*        A   3   8.498  -1.176 -11.155
   25   2H5*    A   3          2H5*        A   3   7.898  -0.845  -9.507
   26    H4*    A   3           H4*        A   3   6.718  -2.747 -10.727
   27    H3*    A   3           H3*        A   3   6.413  -1.347 -13.033
   28   1H2*    A   3          1H2*        A   3   4.638   0.080 -12.148
   29   2H2*    A   3          2H2*        A   3   3.731  -1.424 -12.568
   30    H1*    A   3           H1*        A   3   3.786  -2.468 -10.667
   31    H8     A   3           H8         A   3   4.513   1.201 -10.313
   32   1H6     A   3          1H6         A   3  -0.774   1.705  -6.925
   33   2H6     A   3          2H6         A   3   0.685   2.602  -7.289
   34    H2     A   3           H2         A   3  -0.166  -2.494  -8.047
   35   1H5*    T   4          1H5*        T   4   3.528  -6.072 -13.983
   36   2H5*    T   4          2H5*        T   4   3.770  -5.067 -12.540
   37    H4*    T   4           H4*        T   4   1.388  -5.661 -12.554
   38    H3*    T   4           H3*        T   4   1.494  -4.772 -15.289
   39   1H2*    T   4          1H2*        T   4   0.622  -2.603 -14.620
   40   2H2*    T   4          2H2*        T   4  -0.933  -3.368 -14.265
   41    H1*    T   4           H1*        T   4  -0.180  -3.863 -11.932
   42    H3     T   4           H3         T   4  -1.213   0.088 -10.112
   43   1H5M    T   4           H51        T   4   1.907   2.409 -12.921
   44   2H5M    T   4           H52        T   4   3.015   1.074 -13.223
   45   3H5M    T   4           H53        T   4   1.765   1.400 -14.382
   46    H6     T   4           H6         T   4   1.698  -1.198 -13.689
   47   1H5*    C   5          1H5*        C   5  -2.849  -6.352 -13.260
   48   2H5*    C   5          2H5*        C   5  -1.842  -5.167 -12.401
   49    H4*    C   5           H4*        C   5  -4.338  -5.121 -11.933
   50    H3*    C   5           H3*        C   5  -4.519  -5.223 -14.711
   51   1H2*    C   5          1H2*        C   5  -3.781  -3.036 -14.936
   52   2H2*    C   5          2H2*        C   5  -5.579  -2.698 -14.887
   53    H1*    C   5           H1*        C   5  -5.746  -2.552 -12.609
   54   1H4     C   5          1H4         C   5  -2.009   3.032 -13.141
   55   2H4     C   5          2H4         C   5  -3.302   3.360 -12.003
   56    H5     C   5           H5         C   5  -1.657   0.785 -14.011
   57    H6     C   5           H6         C   5  -2.602  -1.517 -14.105
   58   1H5*    G   6          1H5*      APG   6  -9.440  -3.013 -14.789
   59   2H5*    G   6          2H5*      APG   6  -8.185  -2.708 -13.556
   60    H4*    G   6           H4*      APG   6  -8.914  -0.637 -14.708
   61    H3*    G   6           H3*      APG   6  -8.977  -2.219 -17.019
   62   1H2*    G   6          1H2*      APG   6  -6.560  -2.001 -17.311
   63   2H2*    G   6          2H2*      APG   6  -7.180  -0.537 -18.228
   64    H1*    G   6           H1*      APG   6  -7.154   0.824 -16.310
   65    H1     G   6           H1       APG   6  -1.031  -2.419 -17.483
   66   1H2     G   6          1H2       APG   6  -2.175  -4.286 -18.002
   67   2H2     G   6          2H2       APG   6  -3.861  -4.454 -17.547
   68   1H5*    C   7          1H5*        C   7 -13.069   0.022 -16.062
   69   2H5*    C   7          2H5*        C   7 -11.501   0.008 -15.224
   70    H4*    C   7           H4*        C   7 -12.915   2.087 -14.458
   71    H3*    C   7           H3*        C   7 -13.802   2.015 -17.076
   72   1H2*    C   7          1H2*        C   7 -11.733   2.826 -17.904
   73   2H2*    C   7          2H2*        C   7 -12.514   4.407 -17.781
   74    H1*    C   7           H1*        C   7 -11.639   4.564 -15.377
   75   1H4     C   7          1H4         C   7  -5.725   4.368 -18.643
   76   2H4     C   7          2H4         C   7  -5.873   5.786 -17.622
   77    H5     C   7           H5         C   7  -7.462   2.542 -18.381
   78    H6     C   7           H6         C   7  -9.790   2.122 -17.436
   79   1H5*    T   8          1H5*        T   8 -15.723   6.811 -15.122
   80   2H5*    T   8          2H5*        T   8 -14.185   5.994 -14.810
   81    H4*    T   8           H4*        T   8 -14.006   8.543 -14.962
   82    H3*    T   8           H3*        T   8 -15.424   7.977 -17.422
   83   1H2*    T   8          1H2*        T   8 -13.346   7.829 -18.565
   84   2H2*    T   8          2H2*        T   8 -13.725   9.618 -18.653
   85    H1*    T   8           H1*        T   8 -12.223   9.751 -16.485
   86    H3     T   8           H3         T   8  -8.009   9.671 -18.087
   87   1H5M    T   8           H51        T   8 -10.383   5.917 -20.855
   88   2H5M    T   8           H52        T   8  -8.647   5.796 -20.574
   89   3H5M    T   8           H53        T   8  -9.739   4.896 -19.535
   90    H6     T   8           H6         T   8 -11.794   6.775 -18.679
   91   1H5*    A   9          1H5*        A   9 -15.135  12.997 -16.093
   92   2H5*    A   9          2H5*        A   9 -13.706  11.950 -15.808
   93    H4*    A   9           H4*        A   9 -13.035  14.412 -16.059
   94    H3*    A   9           H3*        A   9 -14.967  14.432 -18.156
   95   1H2*    A   9          1H2*        A   9 -13.543  13.337 -19.777
   96   2H2*    A   9          2H2*        A   9 -12.863  15.007 -19.886
   97    H1*    A   9           H1*        A   9 -11.395  14.954 -18.422
   98    H8     A   9           H8         A   9 -12.480  11.529 -19.901
   99   1H6     A   9          1H6         A   9  -6.427  10.610 -21.371
  100   2H6     A   9          2H6         A   9  -8.012   9.885 -21.520
  101    H2     A   9           H2         A   9  -6.806  14.465 -19.286
  102   1H5*    C  10          1H5*        C  10 -12.287  19.175 -18.102
  103   2H5*    C  10          2H5*        C  10 -11.364  17.781 -17.633
  104    H4*    C  10           H4*        C  10  -9.778  19.381 -18.609
  105    H3*    C  10           H3*        C  10 -11.664  20.228 -20.463
  106   1H2*    C  10          1H2*        C  10 -11.683  18.071 -21.526
  107   2H2*    C  10          2H2*        C  10 -10.586  18.990 -22.633
  108    H1*    C  10           H1*        C  10  -8.718  18.138 -21.616
  109   1H4     C  10          1H4         C  10 -10.747  12.134 -23.519
  110   2H4     C  10          2H4         C  10  -9.005  12.288 -23.657
  111    H5     C  10           H5         C  10 -12.032  13.989 -22.605
  112    H6     C  10           H6         C  10 -11.937  16.121 -21.547
  113   1H5*    C  11          1H5*        C  11  -7.298  21.590 -23.542
  114   2H5*    C  11          2H5*        C  11  -7.391  20.223 -22.445
  115    H4*    C  11           H4*        C  11  -6.163  19.987 -24.709
  116    H3*    C  11           H3*        C  11  -8.850  20.411 -25.818
  117   1H2*    C  11          1H2*        C  11  -8.608  18.278 -27.313
  118   2H2*    C  11          2H2*        C  11  -7.034  18.665 -27.516
  119    H1*    C  11           H1*        C  11  -6.281  17.604 -26.235
  120   1H4     C  11          1H4         C  11 -11.445  13.319 -25.531
  121   2H4     C  11          2H4         C  11 -10.059  12.472 -26.201
  122    H5     C  11           H5         C  11 -11.323  15.774 -25.143
  123    H6     C  11           H6         C  11  -9.622  17.771 -25.177
  124   1H5*    G  12          1H5*        G  12  -2.971   4.397 -29.377
  125   2H5*    G  12          2H5*        G  12  -4.206   5.101 -30.454
  126    H4*    G  12           H4*        G  12  -2.200   6.593 -30.294
  127    H3*    G  12           H3*        G  12  -1.527   5.945 -27.819
  128   1H2*    G  12          1H2*        G  12  -3.901   6.691 -27.052
  129   2H2*    G  12          2H2*        G  12  -2.800   7.969 -26.440
  130    H1*    G  12           H1*        G  12  -3.001   9.180 -28.460
  131    H8     G  12           H8         G  12  -6.019   6.986 -28.018
  132    H1     G  12           H1         G  12  -6.965  13.175 -26.750
  133   1H2     G  12          1H2         G  12  -3.502  13.351 -27.126
  134   2H2     G  12          2H2         G  12  -5.027  14.250 -27.223
  135    H5T    G  12           H5T        G  12  -5.525   4.956 -28.867
  136   1H5*    G  13          1H5*        G  13   1.303  10.778 -27.765
  137   2H5*    G  13          2H5*        G  13  -0.272  11.051 -28.545
  138    H4*    G  13           H4*        G  13   0.552  13.058 -27.465
  139    H3*    G  13           H3*        G  13   1.478  11.575 -25.323
  140   1H2*    G  13          1H2*        G  13  -0.510  11.062 -24.281
  141   2H2*    G  13          2H2*        G  13  -0.341  12.713 -23.604
  142    H1*    G  13           H1*        G  13  -1.538  13.764 -24.819
  143    H8     G  13           H8         G  13  -2.555  10.124 -25.171
  144    H1     G  13           H1         G  13  -6.910  14.412 -23.222
  145   1H2     G  13          1H2         G  13  -4.142  16.601 -23.657
  146   2H2     G  13          2H2         G  13  -5.883  16.543 -23.363
  147   1H5*    T  14          1H5*        T  14   1.516  16.643 -23.338
  148   2H5*    T  14          2H5*        T  14   0.111  16.237 -24.342
  149    H4*    T  14           H4*        T  14  -0.611  17.812 -22.691
  150    H3*    T  14           H3*        T  14   1.281  16.766 -20.937
  151   1H2*    T  14          1H2*        T  14   0.304  14.789 -20.608
  152   2H2*    T  14          2H2*        T  14  -0.437  15.683 -19.213
  153    H1*    T  14           H1*        T  14  -2.325  16.287 -20.285
  154    H3     T  14           H3         T  14  -5.415  13.007 -20.785
  155   1H5M    T  14           H51        T  14  -0.580  10.919 -21.670
  156   2H5M    T  14           H52        T  14  -1.963   9.886 -21.203
  157   3H5M    T  14           H53        T  14  -1.879  10.526 -22.862
  158    H6     T  14           H6         T  14  -0.681  13.205 -21.511
  159   1H5*    A  15          1H5*        A  15  -1.824  18.638 -16.635
  160   2H5*    A  15          2H5*        A  15  -2.462  18.035 -18.139
  161    H4*    A  15           H4*        A  15  -3.404  17.010 -16.100
  162    H3*    A  15           H3*        A  15  -0.666  15.841 -15.647
  163   1H2*    A  15          1H2*        A  15  -1.360  13.772 -15.714
  164   2H2*    A  15          2H2*        A  15  -2.642  14.094 -14.508
  165    H1*    A  15           H1*        A  15  -4.182  14.810 -15.919
  166    H8     A  15           H8         A  15  -1.654  13.144 -18.311
  167   1H6     A  15          1H6         A  15  -5.996   8.847 -19.206
  168   2H6     A  15          2H6         A  15  -4.499   9.568 -19.753
  169    H2     A  15           H2         A  15  -7.638  11.966 -16.290
  170   1H5*    G  16          1H5*        G  16  -5.745  16.344 -12.136
  171   2H5*    G  16          2H5*        G  16  -6.099  16.010 -13.855
  172    H4*    G  16           H4*        G  16  -7.209  14.441 -12.329
  173    H3*    G  16           H3*        G  16  -4.414  13.967 -11.294
  174   1H2*    G  16          1H2*        G  16  -4.629  11.828 -11.446
  175   2H2*    G  16          2H2*        G  16  -6.313  11.921 -10.679
  176    H1*    G  16           H1*        G  16  -7.385  12.096 -12.789
  177    H8     G  16           H8         G  16  -3.683  11.368 -13.653
  178    H1     G  16           H1         G  16  -7.952   7.187 -15.932
  179   1H2     G  16          1H2         G  16 -10.235   9.349 -14.305
  180   2H2     G  16          2H2         G  16 -10.003   7.743 -14.992
  181   1H5*    A  17          1H5*        A  17  -7.717  12.197  -7.885
  182   2H5*    A  17          2H5*        A  17  -7.677  11.340  -9.409
  183    H4*    A  17           H4*        A  17  -8.054   9.929  -7.414
  184    H3*    A  17           H3*        A  17  -6.643  11.405  -5.879
  185   1H2*    A  17          1H2*        A  17  -4.525  11.015  -7.153
  186   2H2*    A  17          2H2*        A  17  -4.333   9.916  -5.639
  187    H1*    A  17           H1*        A  17  -5.426   8.054  -6.857
  188    H8     A  17           H8         A  17  -3.717  10.227  -9.673
  189   1H6     A  17          1H6         A  17  -0.222   5.108 -10.357
  190   2H6     A  17          2H6         A  17  -0.330   6.808 -10.774
  191    H2     A  17           H2         A  17  -2.978   4.600  -6.786
  192   1H5*    G  18          1H5*        G  18 -10.743   8.315  -5.330
  193   2H5*    G  18          2H5*        G  18 -10.865   9.130  -6.909
  194    H4*    G  18           H4*        G  18 -11.663   7.024  -7.125
  195    H3*    G  18           H3*        G  18  -9.026   5.595  -6.272
  196   1H2*    G  18          1H2*        G  18  -9.847   3.929  -7.892
  197   2H2*    G  18          2H2*        G  18 -11.438   4.745  -7.883
  198    H1*    G  18           H1*        G  18 -10.360   5.637  -9.708
  199    H8     G  18           H8         G  18  -7.395   7.499  -8.480
  200    H1     G  18           H1         G  18  -5.855   1.961 -11.230
  201   1H2     G  18          1H2         G  18  -9.255   1.257 -10.980
  202   2H2     G  18          2H2         G  18  -7.641   0.681 -11.412
  203   1H5*    A  19          1H5*        A  19 -11.062   1.809  -5.277
  204   2H5*    A  19          2H5*        A  19 -10.812   2.356  -6.946
  205    H4*    A  19           H4*        A  19 -10.062  -0.082  -6.665
  206    H3*    A  19           H3*        A  19  -9.091   0.810  -4.206
  207   1H2*    A  19          1H2*        A  19  -6.996   1.545  -4.931
  208   2H2*    A  19          2H2*        A  19  -6.614  -0.186  -5.188
  209    H1*    A  19           H1*        A  19  -7.140  -0.406  -7.239
  210    H8     A  19           H8         A  19  -6.440   3.440  -6.559
  211   1H6     A  19          1H6         A  19  -1.249   2.169  -9.722
  212   2H6     A  19          2H6         A  19  -2.071   3.432  -8.844
  213    H2     A  19           H2         A  19  -3.716  -1.490  -9.630
  214   1H5*    T  20          1H5*        T  20  -8.452  -4.677  -4.158
  215   2H5*    T  20          2H5*        T  20  -8.485  -3.596  -5.585
  216    H4*    T  20           H4*        T  20  -6.822  -5.450  -5.903
  217    H3*    T  20           H3*        T  20  -6.574  -5.470  -3.281
  218   1H2*    T  20          1H2*        T  20  -5.552  -3.172  -3.157
  219   2H2*    T  20          2H2*        T  20  -4.117  -4.226  -2.988
  220    H1*    T  20           H1*        T  20  -3.753  -4.312  -5.369
  221    H3     T  20           H3         T  20  -1.715  -0.530  -7.036
  222   1H5M    T  20           H51        T  20  -4.452   2.250  -4.324
  223   2H5M    T  20           H52        T  20  -5.535   1.097  -3.528
  224   3H5M    T  20           H53        T  20  -3.929   1.360  -2.893
  225    H6     T  20           H6         T  20  -5.173  -1.348  -3.801
  226   1H5*    G  21          1H5*        G  21  -2.407  -8.647  -4.657
  227   2H5*    G  21          2H5*        G  21  -2.841  -7.237  -5.679
  228    H4*    G  21           H4*        G  21  -0.313  -7.915  -5.801
  229    H3*    G  21           H3*        G  21  -0.607  -7.892  -3.009
  230   1H2*    G  21          1H2*        G  21  -0.875  -5.691  -2.932
  231   2H2*    G  21          2H2*        G  21   0.900  -5.716  -2.635
  232    H1*    G  21           H1*        G  21   1.354  -5.614  -5.087
  233    H8     G  21           H8         G  21  -1.825  -4.023  -3.850
  234    H1     G  21           H1         G  21   2.865   0.029  -5.471
  235   1H2     G  21          1H2         G  21   4.578  -3.080  -5.942
  236   2H2     G  21          2H2         G  21   4.686  -1.364  -6.326
  237   1H5*    G  22          1H5*        G  22   4.605  -8.507  -4.125
  238   2H5*    G  22          2H5*        G  22   3.817  -7.258  -5.109
  239    H4*    G  22           H4*        G  22   6.197  -7.052  -5.268
  240    H3*    G  22           H3*        G  22   6.661  -7.774  -2.687
  241   1H2*    G  22          1H2*        G  22   5.374  -5.969  -1.869
  242   2H2*    G  22          2H2*        G  22   7.010  -5.351  -1.545
  243    H1*    G  22           H1*        G  22   7.068  -4.104  -3.639
  244    H8     G  22           H8         G  22   3.537  -5.045  -2.452
  245    H1     G  22           H1         G  22   4.538   1.253  -2.945
  246   1H2     G  22          1H2         G  22   7.743   0.258  -4.013
  247   2H2     G  22          2H2         G  22   6.603   1.600  -3.781
  248   1HN    AP  23           H1        AP  23  -6.384   2.529 -16.038
  249    H2    AP  23           H2        AP  23  -3.064   3.517 -15.443
  250    H3    AP  23           H3        AP  23  -2.309   5.668 -13.971
  251    H4    AP  23           H4        AP  23  -2.962   7.521 -12.478
  252    H5    AP  23           H5        AP  23  -4.799   8.793 -11.258
  253    H6    AP  23           H6        AP  23  -7.307   9.054 -10.661
  254    H7    AP  23           H7        AP  23  -9.520   8.248 -10.869
  255    H8    AP  23           H8        AP  23 -10.020   6.344 -12.190
  256    H9    AP  23           H9        AP  23  -9.360   4.552 -13.653
  257    H10   AP  23           H10       AP  23  -7.739   3.322 -14.831
   
  Start of MODEL    5
    1   1H5*    C   1          1H5*        C   1  -0.368   8.511   2.354
    2   2H5*    C   1          2H5*        C   1   0.944   9.629   1.872
    3    H4*    C   1           H4*        C   1   2.161   7.544   0.872
    4    H3*    C   1           H3*        C   1   0.173   8.809  -0.526
    5   1H2*    C   1          1H2*        C   1  -1.391   7.165   0.483
    6   2H2*    C   1          2H2*        C   1  -1.072   6.533  -1.173
    7    H1*    C   1           H1*        C   1   1.000   5.346  -0.196
    8   1H4     C   1          1H4         C   1  -3.932   1.785   2.858
    9   2H4     C   1          2H4         C   1  -2.952   0.653   1.947
   10    H5     C   1           H5         C   1  -3.395   4.166   2.926
   11    H6     C   1           H6         C   1  -1.877   5.893   2.079
   12    H5T    C   1           H5T        C   1   1.059   7.487   3.733
   13   1H5*    C   2          1H5*        C   2   4.038   6.335  -3.516
   14   2H5*    C   2          2H5*        C   2   3.482   5.853  -1.889
   15    H4*    C   2           H4*        C   2   4.520   3.921  -2.992
   16    H3*    C   2           H3*        C   2   3.590   4.895  -5.347
   17   1H2*    C   2          1H2*        C   2   1.309   4.679  -4.741
   18   2H2*    C   2          2H2*        C   2   1.478   3.312  -5.759
   19    H1*    C   2           H1*        C   2   2.063   1.832  -3.817
   20   1H4     C   2          1H4         C   2  -3.953   3.492  -1.392
   21   2H4     C   2          2H4         C   2  -3.813   1.739  -1.543
   22    H5     C   2           H5         C   2  -2.107   4.940  -2.127
   23    H6     C   2           H6         C   2   0.248   4.907  -3.033
   24   1H5*    A   3          1H5*        A   3   5.643   0.360  -7.058
   25   2H5*    A   3          2H5*        A   3   4.506   0.165  -5.719
   26    H4*    A   3           H4*        A   3   4.510  -1.903  -7.256
   27    H3*    A   3           H3*        A   3   4.562  -0.125  -9.381
   28   1H2*    A   3          1H2*        A   3   2.158   0.555  -9.187
   29   2H2*    A   3          2H2*        A   3   1.952  -1.056  -9.924
   30    H1*    A   3           H1*        A   3   1.728  -2.314  -8.266
   31    H8     A   3           H8         A   3   1.292   1.376  -7.414
   32   1H6     A   3          1H6         A   3  -4.326   0.287  -4.996
   33   2H6     A   3          2H6         A   3  -3.303   1.535  -5.637
   34    H2     A   3           H2         A   3  -2.671  -3.582  -6.566
   35   1H5*    T   4          1H5*        T   4   3.176  -4.777 -12.018
   36   2H5*    T   4          2H5*        T   4   3.017  -4.209 -10.352
   37    H4*    T   4           H4*        T   4   1.368  -5.715 -10.645
   38    H3*    T   4           H3*        T   4   0.784  -5.440 -13.232
   39   1H2*    T   4          1H2*        T   4   0.069  -3.020 -12.794
   40   2H2*    T   4          2H2*        T   4  -1.500  -3.841 -13.032
   41    H1*    T   4           H1*        T   4  -1.613  -4.358 -10.646
   42    H3     T   4           H3         T   4  -3.520  -0.535  -9.150
   43   1H5M    T   4           H51        T   4   1.212   1.035 -11.256
   44   2H5M    T   4           H52        T   4  -0.188   1.760 -12.072
   45   3H5M    T   4           H53        T   4   0.053   2.014 -10.353
   46    H6     T   4           H6         T   4   0.466  -1.493 -11.634
   47   1H5*    C   5          1H5*        C   5  -4.396  -6.736 -12.090
   48   2H5*    C   5          2H5*        C   5  -3.270  -5.731 -11.155
   49    H4*    C   5           H4*        C   5  -5.501  -4.760 -11.713
   50    H3*    C   5           H3*        C   5  -4.712  -5.442 -14.405
   51   1H2*    C   5          1H2*        C   5  -3.997  -3.286 -14.852
   52   2H2*    C   5          2H2*        C   5  -5.770  -2.830 -14.865
   53    H1*    C   5           H1*        C   5  -5.997  -2.551 -12.652
   54   1H4     C   5          1H4         C   5  -2.195   2.788 -13.676
   55   2H4     C   5          2H4         C   5  -3.487   3.225 -12.547
   56    H5     C   5           H5         C   5  -1.735   0.432 -14.125
   57    H6     C   5           H6         C   5  -2.750  -1.874 -13.980
   58   1H5*    G   6          1H5*      APG   6  -9.567  -2.891 -15.356
   59   2H5*    G   6          2H5*      APG   6  -8.477  -2.789 -13.964
   60    H4*    G   6           H4*      APG   6  -8.961  -0.606 -15.108
   61    H3*    G   6           H3*      APG   6  -8.711  -2.052 -17.437
   62   1H2*    G   6          1H2*      APG   6  -6.347  -1.728 -17.589
   63   2H2*    G   6          2H2*      APG   6  -6.976  -0.175 -18.339
   64    H1*    G   6           H1*      APG   6  -7.002   0.969 -16.338
   65    H1     G   6           H1       APG   6  -0.778  -2.114 -17.498
   66   1H2     G   6          1H2       APG   6  -1.962  -4.172 -17.756
   67   2H2     G   6          2H2       APG   6  -3.681  -4.178 -17.408
   68   1H5*    C   7          1H5*        C   7 -12.923  -0.009 -16.426
   69   2H5*    C   7          2H5*        C   7 -11.300  -0.141 -15.696
   70    H4*    C   7           H4*        C   7 -12.602   1.848 -14.614
   71    H3*    C   7           H3*        C   7 -13.572   2.047 -17.285
   72   1H2*    C   7          1H2*        C   7 -11.594   3.131 -17.938
   73   2H2*    C   7          2H2*        C   7 -12.547   4.598 -17.463
   74    H1*    C   7           H1*        C   7 -11.454   4.398 -15.177
   75   1H4     C   7          1H4         C   7  -5.647   4.764 -18.617
   76   2H4     C   7          2H4         C   7  -5.929   6.201 -17.627
   77    H5     C   7           H5         C   7  -7.326   2.834 -18.397
   78    H6     C   7           H6         C   7  -9.623   2.330 -17.460
   79   1H5*    T   8          1H5*        T   8 -15.343   6.588 -15.411
   80   2H5*    T   8          2H5*        T   8 -13.786   5.829 -15.117
   81    H4*    T   8           H4*        T   8 -13.829   8.313 -15.773
   82    H3*    T   8           H3*        T   8 -14.987   7.217 -18.268
   83   1H2*    T   8          1H2*        T   8 -12.944   7.203 -19.201
   84   2H2*    T   8          2H2*        T   8 -13.279   8.996 -19.431
   85    H1*    T   8           H1*        T   8 -12.094   9.370 -17.254
   86    H3     T   8           H3         T   8  -7.741   9.347 -18.731
   87   1H5M    T   8           H51        T   8  -9.462   4.454 -19.863
   88   2H5M    T   8           H52        T   8  -9.712   5.357 -21.371
   89   3H5M    T   8           H53        T   8  -8.095   5.190 -20.700
   90    H6     T   8           H6         T   8 -11.364   6.260 -19.142
   91   1H5*    A   9          1H5*        A   9 -14.697  12.292 -17.683
   92   2H5*    A   9          2H5*        A   9 -13.285  11.251 -17.292
   93    H4*    A   9           H4*        A   9 -12.646  13.686 -17.910
   94    H3*    A   9           H3*        A   9 -14.339  13.360 -20.095
   95   1H2*    A   9          1H2*        A   9 -12.796  11.871 -21.322
   96   2H2*    A   9          2H2*        A   9 -12.111  13.584 -21.621
   97    H1*    A   9           H1*        A   9 -10.848  13.847 -20.190
   98    H8     A   9           H8         A   9 -11.574  10.181 -20.958
   99   1H6     A   9          1H6         A   9  -5.397   9.504 -21.943
  100   2H6     A   9          2H6         A   9  -6.903   8.612 -22.047
  101    H2     A   9           H2         A   9  -6.117  13.525 -20.444
  102   1H5*    C  10          1H5*        C  10 -12.305  18.749 -20.527
  103   2H5*    C  10          2H5*        C  10 -11.544  17.347 -19.752
  104    H4*    C  10           H4*        C  10 -10.051  18.473 -21.284
  105    H3*    C  10           H3*        C  10 -12.092  18.676 -23.174
  106   1H2*    C  10          1H2*        C  10 -11.936  16.217 -23.621
  107   2H2*    C  10          2H2*        C  10 -10.894  17.051 -24.886
  108    H1*    C  10           H1*        C  10  -9.028  16.847 -23.558
  109   1H4     C  10          1H4         C  10  -9.632  10.317 -24.387
  110   2H4     C  10          2H4         C  10  -7.914  10.630 -24.133
  111    H5     C  10           H5         C  10 -11.299  12.047 -24.201
  112    H6     C  10           H6         C  10 -11.661  14.418 -23.692
  113   1H5*    C  11          1H5*        C  11  -7.341  19.526 -24.645
  114   2H5*    C  11          2H5*        C  11  -8.427  18.204 -25.082
  115    H4*    C  11           H4*        C  11  -6.350  19.511 -26.805
  116    H3*    C  11           H3*        C  11  -8.920  18.598 -27.811
  117   1H2*    C  11          1H2*        C  11  -7.908  16.576 -29.173
  118   2H2*    C  11          2H2*        C  11  -6.614  17.539 -29.408
  119    H1*    C  11           H1*        C  11  -5.456  16.795 -28.267
  120   1H4     C  11          1H4         C  11  -8.848  11.226 -26.452
  121   2H4     C  11          2H4         C  11  -7.300  10.751 -27.130
  122    H5     C  11           H5         C  11  -9.535  13.579 -26.463
  123    H6     C  11           H6         C  11  -8.598  15.997 -26.929
  124   1H5*    G  12          1H5*        G  12   0.822   3.738 -27.439
  125   2H5*    G  12          2H5*        G  12   0.053   4.187 -28.974
  126    H4*    G  12           H4*        G  12   1.873   5.742 -28.379
  127    H3*    G  12           H3*        G  12   1.464   5.741 -25.786
  128   1H2*    G  12          1H2*        G  12  -1.024   6.263 -26.235
  129   2H2*    G  12          2H2*        G  12  -0.395   7.776 -25.536
  130    H1*    G  12           H1*        G  12   0.123   8.681 -27.605
  131    H8     G  12           H8         G  12  -2.466   6.088 -28.087
  132    H1     G  12           H1         G  12  -4.714  12.077 -28.177
  133   1H2     G  12          1H2         G  12  -1.449  12.957 -27.612
  134   2H2     G  12          2H2         G  12  -3.115  13.463 -27.971
  135    H5T    G  12           H5T        G  12  -1.476   3.635 -27.378
  136   1H5*    G  13          1H5*        G  13   2.923  10.653 -26.994
  137   2H5*    G  13          2H5*        G  13   1.371  10.537 -27.825
  138    H4*    G  13           H4*        G  13   2.045  12.884 -27.301
  139    H3*    G  13           H3*        G  13   2.935  11.937 -24.911
  140   1H2*    G  13          1H2*        G  13   0.829  11.291 -24.081
  141   2H2*    G  13          2H2*        G  13   0.949  13.009 -23.434
  142    H1*    G  13           H1*        G  13  -0.325  13.831 -24.669
  143    H8     G  13           H8         G  13  -0.852  10.065 -24.764
  144    H1     G  13           H1         G  13  -6.358  13.286 -24.378
  145   1H2     G  13          1H2         G  13  -4.464  16.118 -25.096
  146   2H2     G  13          2H2         G  13  -5.947  15.486 -24.399
  147   1H5*    T  14          1H5*        T  14   2.086  17.063 -23.184
  148   2H5*    T  14          2H5*        T  14   1.246  16.011 -24.337
  149    H4*    T  14           H4*        T  14  -0.378  17.123 -22.759
  150    H3*    T  14           H3*        T  14   1.651  16.247 -20.835
  151   1H2*    T  14          1H2*        T  14   0.737  14.368 -20.353
  152   2H2*    T  14          2H2*        T  14  -0.508  15.328 -19.384
  153    H1*    T  14           H1*        T  14  -1.951  15.578 -21.057
  154    H3     T  14           H3         T  14  -4.495  11.886 -21.479
  155   1H5M    T  14           H51        T  14   0.513  10.467 -22.403
  156   2H5M    T  14           H52        T  14   0.297  10.029 -20.725
  157   3H5M    T  14           H53        T  14  -0.604   9.149 -22.039
  158    H6     T  14           H6         T  14   0.207  12.626 -21.423
  159   1H5*    A  15          1H5*        A  15  -1.861  18.299 -17.318
  160   2H5*    A  15          2H5*        A  15  -2.088  17.646 -18.957
  161    H4*    A  15           H4*        A  15  -3.731  16.920 -17.265
  162    H3*    A  15           H3*        A  15  -1.300  15.945 -15.856
  163   1H2*    A  15          1H2*        A  15  -1.864  13.856 -15.946
  164   2H2*    A  15          2H2*        A  15  -3.442  14.194 -15.114
  165    H1*    A  15           H1*        A  15  -4.570  14.616 -16.937
  166    H8     A  15           H8         A  15  -1.448  12.849 -18.349
  167   1H6     A  15          1H6         A  15  -5.258   8.081 -19.428
  168   2H6     A  15          2H6         A  15  -3.570   8.588 -19.480
  169    H2     A  15           H2         A  15  -7.597  11.248 -17.461
  170   1H5*    G  16          1H5*        G  16  -5.401  16.509 -12.078
  171   2H5*    G  16          2H5*        G  16  -5.641  16.093 -13.793
  172    H4*    G  16           H4*        G  16  -7.107  14.798 -12.329
  173    H3*    G  16           H3*        G  16  -4.553  14.105 -10.974
  174   1H2*    G  16          1H2*        G  16  -4.695  12.039 -11.474
  175   2H2*    G  16          2H2*        G  16  -6.360  11.927 -10.638
  176    H1*    G  16           H1*        G  16  -7.534  12.443 -12.621
  177    H8     G  16           H8         G  16  -3.976  11.565 -13.760
  178    H1     G  16           H1         G  16  -8.376   7.446 -15.839
  179   1H2     G  16          1H2         G  16 -10.577   9.483 -13.963
  180   2H2     G  16          2H2         G  16 -10.414   8.041 -14.981
  181   1H5*    A  17          1H5*        A  17  -7.962  12.209  -7.587
  182   2H5*    A  17          2H5*        A  17  -7.746  11.660  -9.263
  183    H4*    A  17           H4*        A  17  -8.170   9.770  -7.792
  184    H3*    A  17           H3*        A  17  -7.216  10.737  -5.708
  185   1H2*    A  17          1H2*        A  17  -4.918  10.851  -6.511
  186   2H2*    A  17          2H2*        A  17  -4.931   9.241  -5.532
  187    H1*    A  17           H1*        A  17  -5.439   7.912  -7.524
  188    H8     A  17           H8         A  17  -3.602  11.164  -8.895
  189   1H6     A  17          1H6         A  17  -0.004   7.080 -11.797
  190   2H6     A  17          2H6         A  17  -0.170   8.776 -11.358
  191    H2     A  17           H2         A  17  -2.836   4.775  -9.278
  192   1H5*    G  18          1H5*        G  18  -9.916   6.183  -3.946
  193   2H5*    G  18          2H5*        G  18 -10.036   7.685  -4.863
  194    H4*    G  18           H4*        G  18 -11.211   5.907  -6.008
  195    H3*    G  18           H3*        G  18  -8.547   4.550  -6.468
  196   1H2*    G  18          1H2*        G  18  -9.873   3.334  -8.208
  197   2H2*    G  18          2H2*        G  18 -11.322   4.218  -7.639
  198    H1*    G  18           H1*        G  18 -10.425   5.764  -9.183
  199    H8     G  18           H8         G  18  -7.384   7.163  -8.337
  200    H1     G  18           H1         G  18  -6.211   1.941 -11.810
  201   1H2     G  18          1H2         G  18  -9.552   1.158 -11.038
  202   2H2     G  18          2H2         G  18  -8.041   0.590 -11.772
  203   1H5*    A  19          1H5*        A  19 -13.857   1.109  -6.377
  204   2H5*    A  19          2H5*        A  19 -12.999   1.399  -7.872
  205    H4*    A  19           H4*        A  19 -12.412  -0.817  -7.326
  206    H3*    A  19           H3*        A  19 -12.348  -0.170  -4.531
  207   1H2*    A  19          1H2*        A  19  -9.975  -0.016  -4.382
  208   2H2*    A  19          2H2*        A  19  -9.922  -1.753  -4.874
  209    H1*    A  19           H1*        A  19  -9.608  -1.497  -6.945
  210    H8     A  19           H8         A  19  -8.696   1.858  -5.012
  211   1H6     A  19          1H6         A  19  -3.638   2.068  -8.438
  212   2H6     A  19          2H6         A  19  -4.514   2.798  -7.099
  213    H2     A  19           H2         A  19  -5.994  -1.405  -9.845
  214   1H5*    T  20          1H5*        T  20 -11.840  -5.873  -5.411
  215   2H5*    T  20          2H5*        T  20 -11.298  -4.622  -6.556
  216    H4*    T  20           H4*        T  20  -9.875  -6.528  -6.732
  217    H3*    T  20           H3*        T  20 -10.237  -7.217  -4.183
  218   1H2*    T  20          1H2*        T  20  -9.268  -5.121  -3.310
  219   2H2*    T  20          2H2*        T  20  -7.892  -6.255  -3.099
  220    H1*    T  20           H1*        T  20  -6.953  -5.739  -5.211
  221    H3     T  20           H3         T  20  -4.827  -1.788  -5.382
  222   1H5M    T  20           H51        T  20  -8.020   0.324  -2.610
  223   2H5M    T  20           H52        T  20  -9.422  -0.760  -2.703
  224   3H5M    T  20           H53        T  20  -8.170  -1.070  -1.526
  225    H6     T  20           H6         T  20  -8.932  -3.192  -3.356
  226   1H5*    G  21          1H5*        G  21  -5.282  -9.716  -4.834
  227   2H5*    G  21          2H5*        G  21  -5.918  -8.335  -5.753
  228    H4*    G  21           H4*        G  21  -3.506  -8.151  -5.114
  229    H3*    G  21           H3*        G  21  -4.620  -8.753  -2.472
  230   1H2*    G  21          1H2*        G  21  -4.721  -6.778  -1.780
  231   2H2*    G  21          2H2*        G  21  -2.949  -6.750  -1.600
  232    H1*    G  21           H1*        G  21  -2.637  -5.886  -3.866
  233    H8     G  21           H8         G  21  -5.964  -4.996  -2.138
  234    H1     G  21           H1         G  21  -1.620  -0.332  -2.837
  235   1H2     G  21          1H2         G  21   0.188  -2.872  -4.484
  236   2H2     G  21          2H2         G  21   0.132  -1.176  -3.975
  237   1H5*    G  22          1H5*        G  22   0.623  -8.551  -3.171
  238   2H5*    G  22          2H5*        G  22  -0.350  -7.190  -3.792
  239    H4*    G  22           H4*        G  22   1.944  -6.666  -3.613
  240    H3*    G  22           H3*        G  22   2.268  -8.103  -1.337
  241   1H2*    G  22          1H2*        G  22   0.835  -6.749  -0.054
  242   2H2*    G  22          2H2*        G  22   2.436  -6.112   0.425
  243    H1*    G  22           H1*        G  22   2.339  -4.306  -1.188
  244    H8     G  22           H8         G  22  -1.013  -5.777  -0.200
  245    H1     G  22           H1         G  22  -0.623   0.595   0.524
  246   1H2     G  22          1H2         G  22   2.549   0.108  -0.928
  247   2H2     G  22          2H2         G  22   1.411   1.285  -0.268
  248   1HN    AP  23           H1        AP  23  -6.193   2.736 -16.165
  249    H2    AP  23           H2        AP  23  -2.859   3.844 -15.596
  250    H3    AP  23           H3        AP  23  -2.224   6.067 -14.193
  251    H4    AP  23           H4        AP  23  -2.974   7.892 -12.762
  252    H5    AP  23           H5        AP  23  -4.845   9.047 -11.507
  253    H6    AP  23           H6        AP  23  -7.398   9.165 -10.890
  254    H7    AP  23           H7        AP  23  -9.566   8.184 -11.027
  255    H8    AP  23           H8        AP  23  -9.937   6.203 -12.244
  256    H9    AP  23           H9        AP  23  -9.143   4.388 -13.651
  257    H10   AP  23           H10       AP  23  -7.485   3.296 -14.814
   
  Start of MODEL    6
    1   1H5*    C   1          1H5*        C   1   4.406   7.333   1.543
    2   2H5*    C   1          2H5*        C   1   4.543   5.641   2.083
    3    H4*    C   1           H4*        C   1   6.166   5.871   0.054
    4    H3*    C   1           H3*        C   1   4.576   7.723  -1.188
    5   1H2*    C   1          1H2*        C   1   2.827   5.998  -1.292
    6   2H2*    C   1          2H2*        C   1   3.534   5.952  -2.939
    7    H1*    C   1           H1*        C   1   5.265   4.236  -2.050
    8   1H4     C   1          1H4         C   1  -0.429   0.829  -0.230
    9   2H4     C   1          2H4         C   1   0.360  -0.236  -1.370
   10    H5     C   1           H5         C   1   0.536   2.887   0.529
   11    H6     C   1           H6         C   1   2.367   4.534   0.138
   12    H5T    C   1           H5T        C   1   2.525   7.024   0.874
   13   1H5*    C   2          1H5*        C   2   8.330   6.020  -4.950
   14   2H5*    C   2          2H5*        C   2   7.837   4.943  -3.628
   15    H4*    C   2           H4*        C   2   8.655   3.622  -5.458
   16    H3*    C   2           H3*        C   2   7.725   5.323  -7.388
   17   1H2*    C   2          1H2*        C   2   5.474   5.064  -6.854
   18   2H2*    C   2          2H2*        C   2   5.682   3.990  -8.225
   19    H1*    C   2           H1*        C   2   6.019   2.022  -6.779
   20   1H4     C   2          1H4         C   2  -0.033   3.663  -4.365
   21   2H4     C   2          2H4         C   2   0.046   1.912  -4.504
   22    H5     C   2           H5         C   2   2.073   4.941  -4.315
   23    H6     C   2           H6         C   2   4.417   4.918  -5.095
   24   1H5*    A   3          1H5*        A   3   8.016   0.757 -10.112
   25   2H5*    A   3          2H5*        A   3   7.444   0.788  -8.413
   26    H4*    A   3           H4*        A   3   6.423  -1.077  -9.654
   27    H3*    A   3           H3*        A   3   6.234   0.716 -11.837
   28   1H2*    A   3          1H2*        A   3   3.945   1.469 -11.291
   29   2H2*    A   3          2H2*        A   3   3.480  -0.191 -11.709
   30    H1*    A   3           H1*        A   3   3.526  -1.102  -9.764
   31    H8     A   3           H8         A   3   3.775   2.694  -9.486
   32   1H6     A   3          1H6         A   3  -1.670   2.506  -6.507
   33   2H6     A   3          2H6         A   3  -0.431   3.545  -7.198
   34    H2     A   3           H2         A   3  -0.518  -1.679  -7.699
   35   1H5*    T   4          1H5*        T   4   4.460  -4.367 -13.933
   36   2H5*    T   4          2H5*        T   4   4.509  -3.754 -12.280
   37    H4*    T   4           H4*        T   4   2.714  -5.249 -12.406
   38    H3*    T   4           H3*        T   4   1.828  -4.786 -14.887
   39   1H2*    T   4          1H2*        T   4   1.196  -2.426 -14.253
   40   2H2*    T   4          2H2*        T   4  -0.397  -3.174 -14.217
   41    H1*    T   4           H1*        T   4  -0.040  -3.788 -11.786
   42    H3     T   4           H3         T   4  -1.600   0.018  -9.977
   43   1H5M    T   4           H51        T   4   1.254   1.961 -13.832
   44   2H5M    T   4           H52        T   4   1.234   2.782 -12.270
   45   3H5M    T   4           H53        T   4   2.623   1.816 -12.756
   46    H6     T   4           H6         T   4   1.852  -0.845 -13.192
   47   1H5*    C   5          1H5*        C   5  -3.225  -6.614 -12.834
   48   2H5*    C   5          2H5*        C   5  -1.941  -5.697 -12.012
   49    H4*    C   5           H4*        C   5  -4.282  -4.759 -11.855
   50    H3*    C   5           H3*        C   5  -3.985  -4.904 -14.748
   51   1H2*    C   5          1H2*        C   5  -3.469  -2.679 -14.903
   52   2H2*    C   5          2H2*        C   5  -5.212  -2.297 -14.519
   53    H1*    C   5           H1*        C   5  -4.979  -2.480 -12.243
   54   1H4     C   5          1H4         C   5  -1.768   3.247 -13.173
   55   2H4     C   5          2H4         C   5  -3.003   3.539 -11.948
   56    H5     C   5           H5         C   5  -1.379   1.100 -14.112
   57    H6     C   5           H6         C   5  -2.083  -1.286 -14.087
   58   1H5*    G   6          1H5*      APG   6  -9.144  -3.178 -15.156
   59   2H5*    G   6          2H5*      APG   6  -8.052  -2.485 -13.922
   60    H4*    G   6           H4*      APG   6  -9.272  -0.573 -15.003
   61    H3*    G   6           H3*      APG   6  -9.476  -1.935 -17.341
   62   1H2*    G   6          1H2*      APG   6  -7.046  -1.780 -17.727
   63   2H2*    G   6          2H2*      APG   6  -7.702  -0.275 -18.565
   64    H1*    G   6           H1*      APG   6  -7.490   1.060 -16.644
   65    H1     G   6           H1       APG   6  -1.542  -2.694 -17.335
   66   1H2     G   6          1H2       APG   6  -2.751  -4.463 -17.867
   67   2H2     G   6          2H2       APG   6  -4.493  -4.434 -17.626
   68   1H5*    C   7          1H5*        C   7 -13.295  -0.130 -15.358
   69   2H5*    C   7          2H5*        C   7 -11.539  -0.049 -15.036
   70    H4*    C   7           H4*        C   7 -12.860   1.990 -14.546
   71    H3*    C   7           H3*        C   7 -13.983   1.840 -17.060
   72   1H2*    C   7          1H2*        C   7 -12.071   2.911 -17.970
   73   2H2*    C   7          2H2*        C   7 -13.000   4.385 -17.574
   74    H1*    C   7           H1*        C   7 -11.745   4.455 -15.294
   75   1H4     C   7          1H4         C   7  -6.128   4.703 -19.012
   76   2H4     C   7          2H4         C   7  -6.207   6.118 -17.964
   77    H5     C   7           H5         C   7  -7.786   2.831 -18.668
   78    H6     C   7           H6         C   7 -10.062   2.346 -17.541
   79   1H5*    T   8          1H5*        T   8 -15.771   6.763 -15.623
   80   2H5*    T   8          2H5*        T   8 -14.270   5.998 -15.076
   81    H4*    T   8           H4*        T   8 -14.071   8.363 -15.883
   82    H3*    T   8           H3*        T   8 -15.364   7.254 -18.306
   83   1H2*    T   8          1H2*        T   8 -13.337   7.218 -19.335
   84   2H2*    T   8          2H2*        T   8 -13.701   9.030 -19.462
   85    H1*    T   8           H1*        T   8 -12.330   9.285 -17.331
   86    H3     T   8           H3         T   8  -8.002   9.111 -18.771
   87   1H5M    T   8           H51        T   8  -8.546   5.106 -20.962
   88   2H5M    T   8           H52        T   8  -9.904   4.376 -20.115
   89   3H5M    T   8           H53        T   8 -10.178   5.325 -21.599
   90    H6     T   8           H6         T   8 -11.783   6.227 -19.358
   91   1H5*    A   9          1H5*        A   9 -14.974  12.177 -17.181
   92   2H5*    A   9          2H5*        A   9 -13.717  10.931 -16.900
   93    H4*    A   9           H4*        A   9 -12.844  13.336 -17.088
   94    H3*    A   9           H3*        A   9 -14.530  13.414 -19.396
   95   1H2*    A   9          1H2*        A   9 -12.961  12.270 -20.886
   96   2H2*    A   9          2H2*        A   9 -12.189  13.915 -20.840
   97    H1*    A   9           H1*        A   9 -10.959  13.782 -19.203
   98    H8     A   9           H8         A   9 -11.953  10.423 -20.774
   99   1H6     A   9          1H6         A   9  -5.958   9.587 -22.180
  100   2H6     A   9          2H6         A   9  -7.552   8.875 -22.406
  101    H2     A   9           H2         A   9  -6.344  13.424 -20.125
  102   1H5*    C  10          1H5*        C  10 -11.602  18.023 -19.016
  103   2H5*    C  10          2H5*        C  10 -10.982  16.470 -18.442
  104    H4*    C  10           H4*        C  10  -9.140  17.925 -19.013
  105    H3*    C  10           H3*        C  10 -10.557  19.147 -20.950
  106   1H2*    C  10          1H2*        C  10 -10.865  16.971 -22.099
  107   2H2*    C  10          2H2*        C  10  -9.669  17.862 -23.149
  108    H1*    C  10           H1*        C  10  -7.901  16.913 -22.025
  109   1H4     C  10          1H4         C  10 -10.132  11.238 -24.634
  110   2H4     C  10          2H4         C  10  -8.373  11.095 -24.536
  111    H5     C  10           H5         C  10 -11.318  12.996 -23.598
  112    H6     C  10           H6         C  10 -11.159  15.049 -22.395
  113   1H5*    C  11          1H5*        C  11  -5.771  20.186 -23.609
  114   2H5*    C  11          2H5*        C  11  -5.937  18.653 -22.740
  115    H4*    C  11           H4*        C  11  -4.840  18.584 -24.962
  116    H3*    C  11           H3*        C  11  -7.534  19.412 -25.891
  117   1H2*    C  11          1H2*        C  11  -7.513  17.587 -27.706
  118   2H2*    C  11          2H2*        C  11  -5.889  17.796 -27.854
  119    H1*    C  11           H1*        C  11  -5.238  16.514 -26.763
  120   1H4     C  11          1H4         C  11 -10.576  12.444 -26.785
  121   2H4     C  11          2H4         C  11  -9.097  11.560 -27.159
  122    H5     C  11           H5         C  11 -10.381  14.898 -26.036
  123    H6     C  11           H6         C  11  -8.621  16.778 -25.837
  124   1H5*    G  12          1H5*        G  12  -2.242   3.006 -29.459
  125   2H5*    G  12          2H5*        G  12  -3.264   3.732 -30.714
  126    H4*    G  12           H4*        G  12  -1.188   4.952 -30.522
  127    H3*    G  12           H3*        G  12  -0.875   4.625 -27.954
  128   1H2*    G  12          1H2*        G  12  -3.276   5.569 -27.621
  129   2H2*    G  12          2H2*        G  12  -2.233   6.837 -26.933
  130    H1*    G  12           H1*        G  12  -2.120   7.985 -29.062
  131    H8     G  12           H8         G  12  -5.179   5.863 -29.048
  132    H1     G  12           H1         G  12  -6.118  12.017 -27.559
  133   1H2     G  12          1H2         G  12  -2.598  12.090 -27.769
  134   2H2     G  12          2H2         G  12  -4.100  13.040 -27.698
  135    H5T    G  12           H5T        G  12  -4.469   3.182 -28.893
  136   1H5*    G  13          1H5*        G  13   2.356   9.095 -27.648
  137   2H5*    G  13          2H5*        G  13   0.993   9.589 -28.669
  138    H4*    G  13           H4*        G  13   1.911  11.508 -27.473
  139    H3*    G  13           H3*        G  13   2.335   9.954 -25.237
  140   1H2*    G  13          1H2*        G  13   0.016   9.670 -24.601
  141   2H2*    G  13          2H2*        G  13   0.375  11.230 -23.826
  142    H1*    G  13           H1*        G  13  -0.367  12.503 -25.152
  143    H8     G  13           H8         G  13  -1.752   8.992 -25.840
  144    H1     G  13           H1         G  13  -6.147  13.210 -23.971
  145   1H2     G  13          1H2         G  13  -3.376  15.397 -23.912
  146   2H2     G  13          2H2         G  13  -5.133  15.286 -23.796
  147   1H5*    T  14          1H5*        T  14   2.298  15.184 -23.746
  148   2H5*    T  14          2H5*        T  14   0.903  14.858 -24.769
  149    H4*    T  14           H4*        T  14   0.421  16.596 -23.142
  150    H3*    T  14           H3*        T  14   1.998  15.358 -21.351
  151   1H2*    T  14          1H2*        T  14   0.721  13.445 -21.064
  152   2H2*    T  14          2H2*        T  14  -0.022  14.378 -19.698
  153    H1*    T  14           H1*        T  14  -1.712  15.246 -20.805
  154    H3     T  14           H3         T  14  -4.958  12.129 -21.174
  155   1H5M    T  14           H51        T  14  -1.538   9.300 -23.210
  156   2H5M    T  14           H52        T  14  -0.208   9.750 -22.093
  157   3H5M    T  14           H53        T  14  -1.610   8.849 -21.502
  158    H6     T  14           H6         T  14  -0.260  12.052 -21.989
  159   1H5*    A  15          1H5*        A  15  -1.393  17.622 -17.819
  160   2H5*    A  15          2H5*        A  15  -1.663  16.902 -19.406
  161    H4*    A  15           H4*        A  15  -3.394  16.327 -17.790
  162    H3*    A  15           H3*        A  15  -1.117  15.315 -16.147
  163   1H2*    A  15          1H2*        A  15  -1.739  13.281 -16.227
  164   2H2*    A  15          2H2*        A  15  -3.358  13.638 -15.469
  165    H1*    A  15           H1*        A  15  -4.370  14.092 -17.380
  166    H8     A  15           H8         A  15  -1.380  12.026 -18.610
  167   1H6     A  15          1H6         A  15  -5.673   7.552 -19.321
  168   2H6     A  15          2H6         A  15  -3.940   7.846 -19.311
  169    H2     A  15           H2         A  15  -7.652  11.124 -17.596
  170   1H5*    G  16          1H5*        G  16  -4.903  16.360 -12.302
  171   2H5*    G  16          2H5*        G  16  -5.151  15.944 -14.003
  172    H4*    G  16           H4*        G  16  -6.703  14.739 -12.479
  173    H3*    G  16           H3*        G  16  -4.151  13.862 -11.210
  174   1H2*    G  16          1H2*        G  16  -4.460  11.800 -11.603
  175   2H2*    G  16          2H2*        G  16  -6.059  11.847 -10.710
  176    H1*    G  16           H1*        G  16  -7.323  12.316 -12.673
  177    H8     G  16           H8         G  16  -3.778  11.120 -13.824
  178    H1     G  16           H1         G  16  -8.433   7.281 -15.903
  179   1H2     G  16          1H2         G  16 -10.560   9.594 -14.242
  180   2H2     G  16          2H2         G  16 -10.507   8.081 -15.155
  181   1H5*    A  17          1H5*        A  17  -7.732  12.455  -8.135
  182   2H5*    A  17          2H5*        A  17  -7.552  11.446  -9.572
  183    H4*    A  17           H4*        A  17  -8.188  10.095  -7.600
  184    H3*    A  17           H3*        A  17  -6.735  11.486  -5.976
  185   1H2*    A  17          1H2*        A  17  -4.628  10.905  -7.093
  186   2H2*    A  17          2H2*        A  17  -4.703   9.695  -5.651
  187    H1*    A  17           H1*        A  17  -5.889   8.014  -7.110
  188    H8     A  17           H8         A  17  -3.678  10.164  -9.577
  189   1H6     A  17          1H6         A  17  -0.262   5.046  -9.762
  190   2H6     A  17          2H6         A  17  -0.616   6.602 -10.511
  191    H2     A  17           H2         A  17  -3.640   4.354  -6.866
  192   1H5*    G  18          1H5*        G  18 -10.596   7.352  -4.627
  193   2H5*    G  18          2H5*        G  18 -11.106   8.381  -5.985
  194    H4*    G  18           H4*        G  18 -11.785   6.117  -6.424
  195    H3*    G  18           H3*        G  18  -8.875   5.311  -5.936
  196   1H2*    G  18          1H2*        G  18  -9.495   3.389  -7.424
  197   2H2*    G  18          2H2*        G  18 -11.193   3.945  -7.363
  198    H1*    G  18           H1*        G  18 -10.447   5.098  -9.259
  199    H8     G  18           H8         G  18  -7.736   7.423  -8.331
  200    H1     G  18           H1         G  18  -5.481   2.163 -11.185
  201   1H2     G  18          1H2         G  18  -8.674   0.910 -10.444
  202   2H2     G  18          2H2         G  18  -7.086   0.546 -11.138
  203   1H5*    A  19          1H5*        A  19 -11.498   0.376  -4.783
  204   2H5*    A  19          2H5*        A  19 -11.365   0.490  -6.544
  205    H4*    A  19           H4*        A  19  -9.944  -1.248  -5.838
  206    H3*    A  19           H3*        A  19  -9.242   0.536  -3.566
  207   1H2*    A  19          1H2*        A  19  -7.070   1.002  -4.332
  208   2H2*    A  19          2H2*        A  19  -6.749  -0.788  -4.318
  209    H1*    A  19           H1*        A  19  -7.142  -1.154  -6.374
  210    H8     A  19           H8         A  19  -6.914   2.796  -6.052
  211   1H6     A  19          1H6         A  19  -1.976   2.171  -9.686
  212   2H6     A  19          2H6         A  19  -2.886   3.314  -8.754
  213    H2     A  19           H2         A  19  -3.638  -1.888  -8.973
  214   1H5*    T  20          1H5*        T  20  -8.298  -4.766  -3.123
  215   2H5*    T  20          2H5*        T  20  -8.302  -3.471  -4.360
  216    H4*    T  20           H4*        T  20  -6.804  -5.327  -4.963
  217    H3*    T  20           H3*        T  20  -6.210  -5.594  -2.421
  218   1H2*    T  20          1H2*        T  20  -5.101  -3.320  -2.279
  219   2H2*    T  20          2H2*        T  20  -3.673  -4.337  -2.479
  220    H1*    T  20           H1*        T  20  -3.772  -4.183  -4.927
  221    H3     T  20           H3         T  20  -1.928  -0.196  -6.140
  222   1H5M    T  20           H51        T  20  -5.835   0.980  -2.796
  223   2H5M    T  20           H52        T  20  -4.488   0.922  -1.679
  224   3H5M    T  20           H53        T  20  -4.560   2.179  -2.959
  225    H6     T  20           H6         T  20  -5.181  -1.411  -2.866
  226   1H5*    G  21          1H5*        G  21  -2.152  -9.131  -3.799
  227   2H5*    G  21          2H5*        G  21  -2.504  -8.009  -5.125
  228    H4*    G  21           H4*        G  21  -0.053  -8.512  -5.157
  229    H3*    G  21           H3*        G  21  -0.092  -8.488  -2.357
  230   1H2*    G  21          1H2*        G  21  -0.303  -6.221  -2.248
  231   2H2*    G  21          2H2*        G  21   1.462  -6.372  -2.177
  232    H1*    G  21           H1*        G  21   1.632  -6.136  -4.703
  233    H8     G  21           H8         G  21  -1.395  -4.672  -2.860
  234    H1     G  21           H1         G  21   1.943  -0.090  -5.835
  235   1H2     G  21          1H2         G  21   3.878  -2.808  -7.031
  236   2H2     G  21          2H2         G  21   3.763  -1.060  -6.914
  237   1H5*    G  22          1H5*        G  22   5.257  -9.721  -4.253
  238   2H5*    G  22          2H5*        G  22   4.034  -8.638  -4.924
  239    H4*    G  22           H4*        G  22   6.350  -7.869  -5.377
  240    H3*    G  22           H3*        G  22   7.261  -8.486  -3.010
  241   1H2*    G  22          1H2*        G  22   5.625  -7.128  -1.876
  242   2H2*    G  22          2H2*        G  22   7.081  -6.112  -1.699
  243    H1*    G  22           H1*        G  22   6.590  -4.824  -3.683
  244    H8     G  22           H8         G  22   3.714  -6.481  -1.896
  245    H1     G  22           H1         G  22   2.926  -0.209  -2.914
  246   1H2     G  22          1H2         G  22   5.845  -0.531  -4.786
  247   2H2     G  22          2H2         G  22   4.756   0.579  -3.958
  248   1HN    AP  23           H1        AP  23  -6.392   2.829 -16.569
  249    H2    AP  23           H2        AP  23  -3.077   3.532 -15.780
  250    H3    AP  23           H3        AP  23  -2.220   5.599 -14.238
  251    H4    AP  23           H4        AP  23  -2.803   7.427 -12.686
  252    H5    AP  23           H5        AP  23  -4.580   8.712 -11.390
  253    H6    AP  23           H6        AP  23  -7.096   9.027 -10.764
  254    H7    AP  23           H7        AP  23  -9.344   8.305 -10.996
  255    H8    AP  23           H8        AP  23  -9.909   6.462 -12.355
  256    H9    AP  23           H9        AP  23  -9.294   4.661 -13.875
  257    H10   AP  23           H10       AP  23  -7.728   3.456 -15.096
   
  Start of MODEL    7
    1   1H5*    C   1          1H5*        C   1   4.201   7.246   3.298
    2   2H5*    C   1          2H5*        C   1   5.590   8.287   2.981
    3    H4*    C   1           H4*        C   1   6.556   6.232   1.576
    4    H3*    C   1           H3*        C   1   4.642   8.024   0.692
    5   1H2*    C   1          1H2*        C   1   2.955   6.449   1.440
    6   2H2*    C   1          2H2*        C   1   3.075   6.076  -0.321
    7    H1*    C   1           H1*        C   1   4.976   4.476   0.231
    8   1H4     C   1          1H4         C   1  -0.151   0.936   2.871
    9   2H4     C   1          2H4         C   1   0.505  -0.006   1.548
   10    H5     C   1           H5         C   1   0.511   3.259   3.236
   11    H6     C   1           H6         C   1   2.195   4.954   2.699
   12    H5T    C   1           H5T        C   1   5.946   5.745   4.144
   13   1H5*    C   2          1H5*        C   2   7.186   6.747  -4.107
   14   2H5*    C   2          2H5*        C   2   7.374   5.775  -2.661
   15    H4*    C   2           H4*        C   2   7.893   4.382  -4.454
   16    H3*    C   2           H3*        C   2   6.373   5.601  -6.255
   17   1H2*    C   2          1H2*        C   2   4.410   5.157  -5.027
   18   2H2*    C   2          2H2*        C   2   4.235   4.142  -6.404
   19    H1*    C   2           H1*        C   2   5.354   2.161  -5.032
   20   1H4     C   2          1H4         C   2   0.452   2.803  -0.555
   21   2H4     C   2          2H4         C   2   0.083   1.457  -1.627
   22    H5     C   2           H5         C   2   2.024   4.604  -1.529
   23    H6     C   2           H6         C   2   4.011   4.822  -3.018
   24   1H5*    A   3          1H5*        A   3   6.938   0.462  -8.932
   25   2H5*    A   3          2H5*        A   3   6.596   0.490  -7.187
   26    H4*    A   3           H4*        A   3   5.480  -1.525  -8.138
   27    H3*    A   3           H3*        A   3   5.000  -0.199 -10.556
   28   1H2*    A   3          1H2*        A   3   3.080   1.151  -9.617
   29   2H2*    A   3          2H2*        A   3   2.287  -0.385 -10.011
   30    H1*    A   3           H1*        A   3   2.554  -1.444  -8.203
   31    H8     A   3           H8         A   3   3.072   2.256  -7.754
   32   1H6     A   3          1H6         A   3  -2.434   2.539  -4.733
   33   2H6     A   3          2H6         A   3  -1.137   3.545  -5.327
   34    H2     A   3           H2         A   3  -1.754  -1.603  -6.241
   35   1H5*    T   4          1H5*        T   4   2.238  -4.535  -9.468
   36   2H5*    T   4          2H5*        T   4   1.696  -3.516  -8.128
   37    H4*    T   4           H4*        T   4   0.004  -5.016  -8.520
   38    H3*    T   4           H3*        T   4   0.448  -5.194 -11.134
   39   1H2*    T   4          1H2*        T   4  -0.085  -2.709 -11.479
   40   2H2*    T   4          2H2*        T   4  -1.528  -3.509 -12.099
   41    H1*    T   4           H1*        T   4  -2.552  -3.488  -9.847
   42    H3     T   4           H3         T   4  -4.210   0.700  -9.424
   43   1H5M    T   4           H51        T   4   0.712   1.764  -9.641
   44   2H5M    T   4           H52        T   4   0.835   1.396 -11.363
   45   3H5M    T   4           H53        T   4  -0.199   2.713 -10.797
   46    H6     T   4           H6         T   4   0.142  -0.996 -10.536
   47   1H5*    C   5          1H5*        C   5  -4.892  -6.305 -11.436
   48   2H5*    C   5          2H5*        C   5  -4.012  -5.148 -10.407
   49    H4*    C   5           H4*        C   5  -6.043  -4.145 -11.465
   50    H3*    C   5           H3*        C   5  -4.910  -5.436 -13.782
   51   1H2*    C   5          1H2*        C   5  -3.854  -3.551 -14.580
   52   2H2*    C   5          2H2*        C   5  -5.499  -2.881 -15.011
   53    H1*    C   5           H1*        C   5  -5.998  -2.072 -12.993
   54   1H4     C   5          1H4         C   5  -1.320   2.559 -13.811
   55   2H4     C   5          2H4         C   5  -2.673   3.154 -12.841
   56    H5     C   5           H5         C   5  -1.133   0.011 -14.088
   57    H6     C   5           H6         C   5  -2.497  -2.095 -13.891
   58   1H5*    G   6          1H5*      APG   6  -9.302  -2.913 -15.138
   59   2H5*    G   6          2H5*      APG   6  -8.004  -2.539 -13.996
   60    H4*    G   6           H4*      APG   6  -8.959  -0.496 -15.208
   61    H3*    G   6           H3*      APG   6  -8.773  -1.982 -17.500
   62   1H2*    G   6          1H2*      APG   6  -6.403  -1.510 -17.638
   63   2H2*    G   6          2H2*      APG   6  -7.127  -0.077 -18.542
   64    H1*    G   6           H1*      APG   6  -7.222   1.248 -16.628
   65    H1     G   6           H1       APG   6  -1.010  -2.014 -17.065
   66   1H2     G   6          1H2       APG   6  -2.130  -3.962 -16.931
   67   2H2     G   6          2H2       APG   6  -3.869  -4.015 -16.791
   68   1H5*    C   7          1H5*        C   7 -13.071  -0.209 -16.341
   69   2H5*    C   7          2H5*        C   7 -11.384  -0.139 -15.772
   70    H4*    C   7           H4*        C   7 -12.775   1.763 -14.716
   71    H3*    C   7           H3*        C   7 -13.992   1.864 -17.285
   72   1H2*    C   7          1H2*        C   7 -12.034   2.791 -18.157
   73   2H2*    C   7          2H2*        C   7 -12.958   4.289 -17.854
   74    H1*    C   7           H1*        C   7 -11.813   4.388 -15.480
   75   1H4     C   7          1H4         C   7  -6.155   4.778 -19.034
   76   2H4     C   7          2H4         C   7  -6.368   6.262 -18.109
   77    H5     C   7           H5         C   7  -7.781   2.874 -18.763
   78    H6     C   7           H6         C   7  -9.989   2.308 -17.722
   79   1H5*    T   8          1H5*        T   8 -15.796   6.819 -16.004
   80   2H5*    T   8          2H5*        T   8 -14.345   6.044 -15.381
   81    H4*    T   8           H4*        T   8 -14.111   8.359 -16.357
   82    H3*    T   8           H3*        T   8 -15.333   7.135 -18.778
   83   1H2*    T   8          1H2*        T   8 -13.264   6.960 -19.672
   84   2H2*    T   8          2H2*        T   8 -13.537   8.724 -20.022
   85    H1*    T   8           H1*        T   8 -12.332   9.170 -17.790
   86    H3     T   8           H3         T   8  -7.988   9.017 -19.204
   87   1H5M    T   8           H51        T   8 -10.182   5.153 -21.842
   88   2H5M    T   8           H52        T   8  -8.523   4.927 -21.274
   89   3H5M    T   8           H53        T   8  -9.876   4.234 -20.345
   90    H6     T   8           H6         T   8 -11.696   6.035 -19.664
   91   1H5*    A   9          1H5*        A   9 -14.961  11.878 -17.619
   92   2H5*    A   9          2H5*        A   9 -13.556  10.808 -17.482
   93    H4*    A   9           H4*        A   9 -12.911  13.375 -17.595
   94    H3*    A   9           H3*        A   9 -14.599  13.347 -19.861
   95   1H2*    A   9          1H2*        A   9 -12.957  12.198 -21.303
   96   2H2*    A   9          2H2*        A   9 -12.296  13.902 -21.311
   97    H1*    A   9           H1*        A   9 -11.017  13.890 -19.729
   98    H8     A   9           H8         A   9 -11.902  10.406 -21.130
   99   1H6     A   9          1H6         A   9  -5.851   9.538 -22.401
  100   2H6     A   9          2H6         A   9  -7.411   8.750 -22.546
  101    H2     A   9           H2         A   9  -6.255  13.416 -20.523
  102   1H5*    C  10          1H5*        C  10 -11.957  18.181 -19.741
  103   2H5*    C  10          2H5*        C  10 -11.101  16.731 -19.201
  104    H4*    C  10           H4*        C  10  -9.616  18.458 -20.036
  105    H3*    C  10           H3*        C  10 -11.311  19.087 -22.086
  106   1H2*    C  10          1H2*        C  10 -11.134  16.837 -23.038
  107   2H2*    C  10          2H2*        C  10  -9.945  17.763 -24.068
  108    H1*    C  10           H1*        C  10  -8.170  17.146 -22.825
  109   1H4     C  10          1H4         C  10  -9.654  10.919 -24.423
  110   2H4     C  10          2H4         C  10  -7.901  11.153 -24.513
  111    H5     C  10           H5         C  10 -11.091  12.716 -23.841
  112    H6     C  10           H6         C  10 -11.198  14.987 -22.962
  113   1H5*    C  11          1H5*        C  11  -6.714  20.638 -24.674
  114   2H5*    C  11          2H5*        C  11  -6.743  19.270 -23.542
  115    H4*    C  11           H4*        C  11  -5.370  19.102 -25.676
  116    H3*    C  11           H3*        C  11  -8.022  19.329 -26.904
  117   1H2*    C  11          1H2*        C  11  -7.572  17.218 -28.328
  118   2H2*    C  11          2H2*        C  11  -5.989  17.634 -28.418
  119    H1*    C  11           H1*        C  11  -5.276  16.651 -27.097
  120   1H4     C  11          1H4         C  11 -10.262  12.170 -26.698
  121   2H4     C  11          2H4         C  11  -8.780  11.374 -27.246
  122    H5     C  11           H5         C  11 -10.296  14.595 -26.367
  123    H6     C  11           H6         C  11  -8.701  16.678 -26.324
  124   1H5*    G  12          1H5*        G  12  -1.538   4.083 -29.662
  125   2H5*    G  12          2H5*        G  12   0.160   3.937 -30.173
  126    H4*    G  12           H4*        G  12   0.224   6.380 -30.585
  127    H3*    G  12           H3*        G  12   0.245   5.301 -27.992
  128   1H2*    G  12          1H2*        G  12  -2.185   5.775 -27.820
  129   2H2*    G  12          2H2*        G  12  -1.480   7.198 -26.963
  130    H1*    G  12           H1*        G  12  -1.270   8.443 -28.942
  131    H8     G  12           H8         G  12  -4.206   6.191 -29.086
  132    H1     G  12           H1         G  12  -5.512  12.227 -27.413
  133   1H2     G  12          1H2         G  12  -2.069  12.533 -27.490
  134   2H2     G  12          2H2         G  12  -3.645  13.368 -27.619
  135    H5T    G  12           H5T        G  12  -1.920   4.851 -31.857
  136   1H5*    G  13          1H5*        G  13   2.997  10.022 -27.476
  137   2H5*    G  13          2H5*        G  13   1.521  10.288 -28.402
  138    H4*    G  13           H4*        G  13   2.277  12.321 -27.294
  139    H3*    G  13           H3*        G  13   2.891  10.980 -24.978
  140   1H2*    G  13          1H2*        G  13   0.630  10.345 -24.491
  141   2H2*    G  13          2H2*        G  13   0.844  11.857 -23.527
  142    H1*    G  13           H1*        G  13  -0.054  13.103 -24.821
  143    H8     G  13           H8         G  13  -1.119   9.496 -25.682
  144    H1     G  13           H1         G  13  -5.865  13.444 -23.994
  145   1H2     G  13          1H2         G  13  -3.213  15.693 -23.617
  146   2H2     G  13          2H2         G  13  -4.978  15.573 -23.800
  147   1H5*    T  14          1H5*        T  14   1.938  16.228 -23.144
  148   2H5*    T  14          2H5*        T  14   0.601  15.668 -24.163
  149    H4*    T  14           H4*        T  14  -0.191  16.978 -22.257
  150    H3*    T  14           H3*        T  14   1.786  15.766 -20.723
  151   1H2*    T  14          1H2*        T  14   0.770  13.706 -20.628
  152   2H2*    T  14          2H2*        T  14   0.021  14.429 -19.145
  153    H1*    T  14           H1*        T  14  -1.832  15.104 -20.112
  154    H3     T  14           H3         T  14  -4.822  11.938 -21.202
  155   1H5M    T  14           H51        T  14  -1.424   8.838 -21.998
  156   2H5M    T  14           H52        T  14  -0.608   9.856 -23.184
  157   3H5M    T  14           H53        T  14   0.030   9.781 -21.530
  158    H6     T  14           H6         T  14  -0.069  12.205 -21.607
  159   1H5*    A  15          1H5*        A  15  -2.037  17.840 -17.322
  160   2H5*    A  15          2H5*        A  15  -2.148  17.001 -18.875
  161    H4*    A  15           H4*        A  15  -4.043  16.515 -17.398
  162    H3*    A  15           H3*        A  15  -2.019  15.808 -15.344
  163   1H2*    A  15          1H2*        A  15  -2.325  13.669 -15.621
  164   2H2*    A  15          2H2*        A  15  -3.990  13.923 -14.874
  165    H1*    A  15           H1*        A  15  -4.987  14.274 -16.826
  166    H8     A  15           H8         A  15  -1.822  12.572 -18.071
  167   1H6     A  15          1H6         A  15  -5.710   7.844 -19.580
  168   2H6     A  15          2H6         A  15  -4.016   8.294 -19.659
  169    H2     A  15           H2         A  15  -8.015  10.941 -17.594
  170   1H5*    G  16          1H5*        G  16  -6.228  16.292 -11.817
  171   2H5*    G  16          2H5*        G  16  -6.532  15.863 -13.498
  172    H4*    G  16           H4*        G  16  -7.522  14.174 -11.981
  173    H3*    G  16           H3*        G  16  -4.657  13.620 -11.190
  174   1H2*    G  16          1H2*        G  16  -5.109  11.527 -11.245
  175   2H2*    G  16          2H2*        G  16  -6.840  11.753 -10.586
  176    H1*    G  16           H1*        G  16  -7.798  12.008 -12.688
  177    H8     G  16           H8         G  16  -4.187  11.201 -13.501
  178    H1     G  16           H1         G  16  -8.570   7.402 -16.185
  179   1H2     G  16          1H2         G  16 -10.769   9.706 -14.576
  180   2H2     G  16          2H2         G  16 -10.721   8.117 -15.348
  181   1H5*    A  17          1H5*        A  17  -7.593  11.776  -7.628
  182   2H5*    A  17          2H5*        A  17  -7.542  10.776  -9.057
  183    H4*    A  17           H4*        A  17  -7.675   9.341  -7.051
  184    H3*    A  17           H3*        A  17  -6.341  10.955  -5.571
  185   1H2*    A  17          1H2*        A  17  -4.232  10.658  -6.861
  186   2H2*    A  17          2H2*        A  17  -4.007   9.472  -5.422
  187    H1*    A  17           H1*        A  17  -5.014   7.603  -6.716
  188    H8     A  17           H8         A  17  -3.615  10.056  -9.479
  189   1H6     A  17          1H6         A  17   0.661   5.727 -10.423
  190   2H6     A  17          2H6         A  17   0.027   7.288 -10.951
  191    H2     A  17           H2         A  17  -1.838   4.329  -7.074
  192   1H5*    G  18          1H5*        G  18 -10.185   7.239  -4.788
  193   2H5*    G  18          2H5*        G  18  -9.939   8.467  -6.044
  194    H4*    G  18           H4*        G  18 -11.129   6.513  -6.902
  195    H3*    G  18           H3*        G  18  -8.587   4.921  -6.235
  196   1H2*    G  18          1H2*        G  18  -9.608   3.479  -8.158
  197   2H2*    G  18          2H2*        G  18 -11.007   4.571  -8.058
  198    H1*    G  18           H1*        G  18  -9.859   5.692  -9.631
  199    H8     G  18           H8         G  18  -6.744   6.980  -8.161
  200    H1     G  18           H1         G  18  -5.661   2.354 -12.453
  201   1H2     G  18          1H2         G  18  -9.109   1.774 -12.093
  202   2H2     G  18          2H2         G  18  -7.605   1.239 -12.847
  203   1H5*    A  19          1H5*        A  19 -13.103   1.948  -3.682
  204   2H5*    A  19          2H5*        A  19 -12.549   2.426  -5.270
  205    H4*    A  19           H4*        A  19 -11.706   0.268  -4.777
  206    H3*    A  19           H3*        A  19 -10.544   1.286  -2.276
  207   1H2*    A  19          1H2*        A  19  -8.325   1.175  -2.999
  208   2H2*    A  19          2H2*        A  19  -8.537  -0.532  -3.570
  209    H1*    A  19           H1*        A  19  -9.017  -0.145  -5.565
  210    H8     A  19           H8         A  19  -7.269   3.124  -3.963
  211   1H6     A  19          1H6         A  19  -3.932   3.298  -8.979
  212   2H6     A  19          2H6         A  19  -4.412   4.145  -7.525
  213    H2     A  19           H2         A  19  -6.959   0.098  -9.656
  214   1H5*    T  20          1H5*        T  20 -10.264  -3.987  -3.278
  215   2H5*    T  20          2H5*        T  20 -10.083  -2.490  -4.182
  216    H4*    T  20           H4*        T  20  -8.950  -4.269  -5.265
  217    H3*    T  20           H3*        T  20  -8.014  -5.593  -3.273
  218   1H2*    T  20          1H2*        T  20  -6.766  -3.495  -2.440
  219   2H2*    T  20          2H2*        T  20  -5.432  -4.474  -3.074
  220    H1*    T  20           H1*        T  20  -5.779  -3.586  -5.369
  221    H3     T  20           H3         T  20  -3.526   0.420  -5.400
  222   1H5M    T  20           H51        T  20  -5.803   0.229  -0.673
  223   2H5M    T  20           H52        T  20  -5.638   1.816  -1.497
  224   3H5M    T  20           H53        T  20  -7.146   0.874  -1.576
  225    H6     T  20           H6         T  20  -6.774  -1.520  -2.491
  226   1H5*    G  21          1H5*        G  21  -3.907  -8.178  -6.565
  227   2H5*    G  21          2H5*        G  21  -4.072  -6.586  -7.320
  228    H4*    G  21           H4*        G  21  -1.602  -7.204  -7.154
  229    H3*    G  21           H3*        G  21  -2.316  -8.336  -4.675
  230   1H2*    G  21          1H2*        G  21  -2.519  -6.263  -3.735
  231   2H2*    G  21          2H2*        G  21  -0.844  -6.663  -3.261
  232    H1*    G  21           H1*        G  21  -0.019  -5.617  -5.374
  233    H8     G  21           H8         G  21  -3.276  -4.435  -3.913
  234    H1     G  21           H1         G  21   1.498  -0.219  -3.520
  235   1H2     G  21          1H2         G  21   3.193  -2.849  -5.084
  236   2H2     G  21          2H2         G  21   3.221  -1.102  -4.705
  237   1H5*    G  22          1H5*        G  22   2.746  -7.757  -6.158
  238   2H5*    G  22          2H5*        G  22   1.909  -6.195  -6.162
  239    H4*    G  22           H4*        G  22   4.393  -6.036  -6.232
  240    H3*    G  22           H3*        G  22   4.584  -8.025  -4.542
  241   1H2*    G  22          1H2*        G  22   3.548  -6.899  -2.700
  242   2H2*    G  22          2H2*        G  22   5.263  -6.535  -2.316
  243    H1*    G  22           H1*        G  22   5.228  -4.406  -3.356
  244    H8     G  22           H8         G  22   1.821  -5.857  -2.332
  245    H1     G  22           H1         G  22   2.754   0.147  -0.301
  246   1H2     G  22          1H2         G  22   5.766  -0.192  -2.117
  247   2H2     G  22          2H2         G  22   4.710   0.884  -1.174
  248   1HN    AP  23           H1        AP  23  -6.039   3.413 -17.217
  249    H2    AP  23           H2        AP  23  -2.971   4.141 -16.047
  250    H3    AP  23           H3        AP  23  -2.252   6.011 -14.222
  251    H4    AP  23           H4        AP  23  -2.954   7.579 -12.457
  252    H5    AP  23           H5        AP  23  -4.809   8.584 -11.045
  253    H6    AP  23           H6        AP  23  -7.328   8.741 -10.448
  254    H7    AP  23           H7        AP  23  -9.508   8.021 -10.784
  255    H8    AP  23           H8        AP  23 -10.030   6.346 -12.417
  256    H9    AP  23           H9        AP  23  -9.294   4.761 -14.181
  257    H10   AP  23           H10       AP  23  -7.657   3.796 -15.510
   
  Start of MODEL    8
    1   1H5*    C   1          1H5*        C   1   2.388   9.934   1.457
    2   2H5*    C   1          2H5*        C   1   2.827   8.884   2.848
    3    H4*    C   1           H4*        C   1   4.253   7.911   1.027
    4    H3*    C   1           H3*        C   1   2.761   9.245  -0.915
    5   1H2*    C   1          1H2*        C   1   0.883   7.846  -0.141
    6   2H2*    C   1          2H2*        C   1   1.295   7.165  -1.707
    7    H1*    C   1           H1*        C   1   3.134   5.717  -0.404
    8   1H4     C   1          1H4         C   1  -2.210   2.636   2.333
    9   2H4     C   1          2H4         C   1  -1.209   1.434   1.563
   10    H5     C   1           H5         C   1  -1.583   5.085   2.307
   11    H6     C   1           H6         C   1   0.162   6.709   1.457
   12    H5T    C   1           H5T        C   1   0.519   9.036   1.259
   13   1H5*    C   2          1H5*        C   2   6.660   6.639  -3.706
   14   2H5*    C   2          2H5*        C   2   5.990   5.880  -2.190
   15    H4*    C   2           H4*        C   2   7.158   4.268  -3.643
   16    H3*    C   2           H3*        C   2   6.245   5.579  -5.886
   17   1H2*    C   2          1H2*        C   2   3.998   5.252  -5.337
   18   2H2*    C   2          2H2*        C   2   4.325   4.089  -6.619
   19    H1*    C   2           H1*        C   2   4.652   2.263  -4.812
   20   1H4     C   2          1H4         C   2  -1.432   4.030  -2.389
   21   2H4     C   2          2H4         C   2  -1.455   2.317  -2.682
   22    H5     C   2           H5         C   2   0.638   5.277  -2.597
   23    H6     C   2           H6         C   2   3.053   5.190  -3.430
   24   1H5*    A   3          1H5*        A   3   6.900   0.542  -7.889
   25   2H5*    A   3          2H5*        A   3   6.085   0.755  -6.340
   26    H4*    A   3           H4*        A   3   5.395  -1.301  -7.620
   27    H3*    A   3           H3*        A   3   5.261   0.221 -10.126
   28   1H2*    A   3          1H2*        A   3   3.206   1.330  -9.477
   29   2H2*    A   3          2H2*        A   3   2.579  -0.238 -10.075
   30    H1*    A   3           H1*        A   3   2.479  -1.341  -8.229
   31    H8     A   3           H8         A   3   2.572   2.508  -7.774
   32   1H6     A   3          1H6         A   3  -3.167   2.107  -5.625
   33   2H6     A   3          2H6         A   3  -1.919   3.156  -6.234
   34    H2     A   3           H2         A   3  -1.747  -2.045  -6.623
   35   1H5*    T   4          1H5*        T   4   2.895  -4.342 -11.294
   36   2H5*    T   4          2H5*        T   4   2.637  -3.546  -9.709
   37    H4*    T   4           H4*        T   4   0.735  -4.833 -10.156
   38    H3*    T   4           H3*        T   4   1.017  -4.452 -12.852
   39   1H2*    T   4          1H2*        T   4   0.359  -1.979 -12.642
   40   2H2*    T   4          2H2*        T   4  -1.091  -2.792 -13.137
   41    H1*    T   4           H1*        T   4  -1.768  -3.132 -10.717
   42    H3     T   4           H3         T   4  -3.264   0.935  -9.224
   43   1H5M    T   4           H51        T   4   0.502   3.183 -10.617
   44   2H5M    T   4           H52        T   4   1.727   2.002 -10.810
   45   3H5M    T   4           H53        T   4   0.717   2.355 -12.206
   46    H6     T   4           H6         T   4   0.731  -0.427 -11.493
   47   1H5*    C   5          1H5*        C   5  -4.349  -6.644 -11.789
   48   2H5*    C   5          2H5*        C   5  -2.990  -5.797 -11.168
   49    H4*    C   5           H4*        C   5  -5.235  -4.552 -11.485
   50    H3*    C   5           H3*        C   5  -4.850  -5.278 -14.259
   51   1H2*    C   5          1H2*        C   5  -4.399  -3.059 -14.918
   52   2H2*    C   5          2H2*        C   5  -6.088  -2.644 -14.318
   53    H1*    C   5           H1*        C   5  -5.660  -2.488 -12.132
   54   1H4     C   5          1H4         C   5  -2.042   2.845 -13.445
   55   2H4     C   5          2H4         C   5  -3.131   3.228 -12.101
   56    H5     C   5           H5         C   5  -1.910   0.638 -14.444
   57    H6     C   5           H6         C   5  -2.922  -1.651 -14.316
   58   1H5*    G   6          1H5*      APG   6  -9.718  -2.823 -15.113
   59   2H5*    G   6          2H5*      APG   6  -8.451  -2.405 -13.895
   60    H4*    G   6           H4*      APG   6  -9.124  -0.519 -15.129
   61    H3*    G   6           H3*      APG   6  -9.169  -1.993 -17.458
   62   1H2*    G   6          1H2*      APG   6  -6.785  -1.892 -17.718
   63   2H2*    G   6          2H2*      APG   6  -7.222  -0.340 -18.596
   64    H1*    G   6           H1*      APG   6  -7.190   0.878 -16.561
   65    H1     G   6           H1       APG   6  -0.871  -2.119 -17.781
   66   1H2     G   6          1H2       APG   6  -1.965  -4.118 -18.241
   67   2H2     G   6          2H2       APG   6  -3.714  -4.132 -18.297
   68   1H5*    C   7          1H5*        C   7 -13.207  -0.131 -16.517
   69   2H5*    C   7          2H5*        C   7 -11.492  -0.196 -16.024
   70    H4*    C   7           H4*        C   7 -12.858   1.854 -15.477
   71    H3*    C   7           H3*        C   7 -13.536   2.035 -18.246
   72   1H2*    C   7          1H2*        C   7 -11.435   2.910 -18.617
   73   2H2*    C   7          2H2*        C   7 -12.348   4.438 -18.389
   74    H1*    C   7           H1*        C   7 -11.608   4.324 -15.821
   75   1H4     C   7          1H4         C   7  -5.361   4.760 -18.263
   76   2H4     C   7          2H4         C   7  -5.753   6.224 -17.401
   77    H5     C   7           H5         C   7  -7.164   2.847 -18.442
   78    H6     C   7           H6         C   7  -9.524   2.350 -17.795
   79   1H5*    T   8          1H5*        T   8 -15.848   6.867 -16.338
   80   2H5*    T   8          2H5*        T   8 -14.466   5.999 -15.633
   81    H4*    T   8           H4*        T   8 -14.004   8.361 -16.188
   82    H3*    T   8           H3*        T   8 -15.266   7.637 -18.779
   83   1H2*    T   8          1H2*        T   8 -13.198   7.209 -19.663
   84   2H2*    T   8          2H2*        T   8 -13.225   9.054 -19.813
   85    H1*    T   8           H1*        T   8 -11.956   9.128 -17.622
   86    H3     T   8           H3         T   8  -7.742   8.530 -18.571
   87   1H5M    T   8           H51        T   8  -9.853   4.239 -20.612
   88   2H5M    T   8           H52        T   8 -10.201   5.323 -21.971
   89   3H5M    T   8           H53        T   8  -8.531   5.007 -21.530
   90    H6     T   8           H6         T   8 -11.670   6.207 -19.959
   91   1H5*    A   9          1H5*        A   9 -14.326  12.720 -17.879
   92   2H5*    A   9          2H5*        A   9 -13.114  11.558 -17.370
   93    H4*    A   9           H4*        A   9 -12.288  13.929 -18.118
   94    H3*    A   9           H3*        A   9 -13.843  13.539 -20.372
   95   1H2*    A   9          1H2*        A   9 -12.299  12.072 -21.567
   96   2H2*    A   9          2H2*        A   9 -11.458  13.697 -21.738
   97    H1*    A   9           H1*        A   9 -10.270  13.855 -20.100
   98    H8     A   9           H8         A   9 -11.278  10.299 -21.067
   99   1H6     A   9          1H6         A   9  -5.205   8.808 -21.845
  100   2H6     A   9          2H6         A   9  -6.785   8.043 -21.839
  101    H2     A   9           H2         A   9  -5.431  12.855 -20.255
  102   1H5*    C  10          1H5*        C  10 -11.301  18.305 -20.969
  103   2H5*    C  10          2H5*        C  10 -10.825  16.911 -20.063
  104    H4*    C  10           H4*        C  10  -8.907  18.100 -20.905
  105    H3*    C  10           H3*        C  10 -10.368  18.494 -23.210
  106   1H2*    C  10          1H2*        C  10 -10.247  16.287 -23.997
  107   2H2*    C  10          2H2*        C  10  -8.697  16.879 -24.783
  108    H1*    C  10           H1*        C  10  -7.354  16.288 -23.093
  109   1H4     C  10          1H4         C  10  -9.267   9.990 -24.646
  110   2H4     C  10          2H4         C  10  -7.548  10.087 -24.263
  111    H5     C  10           H5         C  10 -10.653  12.141 -24.325
  112    H6     C  10           H6         C  10 -10.490  14.447 -23.625
  113   1H5*    C  11          1H5*        C  11  -6.035  20.100 -26.115
  114   2H5*    C  11          2H5*        C  11  -5.725  18.855 -24.912
  115    H4*    C  11           H4*        C  11  -4.606  18.759 -27.057
  116    H3*    C  11           H3*        C  11  -7.151  18.230 -28.109
  117   1H2*    C  11          1H2*        C  11  -6.432  15.971 -29.186
  118   2H2*    C  11          2H2*        C  11  -4.907  16.621 -29.457
  119    H1*    C  11           H1*        C  11  -3.978  16.078 -28.026
  120   1H4     C  11          1H4         C  11  -8.243  11.012 -26.483
  121   2H4     C  11          2H4         C  11  -6.667  10.285 -26.789
  122    H5     C  11           H5         C  11  -8.547  13.348 -26.519
  123    H6     C  11           H6         C  11  -7.259  15.628 -27.015
  124   1H5*    G  12          1H5*        G  12   1.137   2.672 -27.616
  125   2H5*    G  12          2H5*        G  12  -0.272   2.738 -28.721
  126    H4*    G  12           H4*        G  12   1.609   4.119 -29.425
  127    H3*    G  12           H3*        G  12   2.368   4.777 -26.997
  128   1H2*    G  12          1H2*        G  12  -0.009   5.548 -26.469
  129   2H2*    G  12          2H2*        G  12   0.883   7.119 -26.519
  130    H1*    G  12           H1*        G  12   0.477   7.489 -28.721
  131    H8     G  12           H8         G  12  -2.107   5.039 -28.055
  132    H1     G  12           H1         G  12  -3.950  11.118 -27.549
  133   1H2     G  12          1H2         G  12  -0.496  11.756 -27.881
  134   2H2     G  12          2H2         G  12  -2.127  12.405 -27.879
  135    H5T    G  12           H5T        G  12  -0.036   3.773 -26.101
  136   1H5*    G  13          1H5*        G  13   4.092   9.832 -26.864
  137   2H5*    G  13          2H5*        G  13   2.827   9.894 -28.149
  138    H4*    G  13           H4*        G  13   2.605  11.575 -26.346
  139    H3*    G  13           H3*        G  13   3.112   9.212 -24.628
  140   1H2*    G  13          1H2*        G  13   0.944   9.188 -23.807
  141   2H2*    G  13          2H2*        G  13   1.261  10.823 -23.117
  142    H1*    G  13           H1*        G  13   0.366  11.840 -24.569
  143    H8     G  13           H8         G  13  -0.714   8.100 -24.957
  144    H1     G  13           H1         G  13  -5.621  12.132 -24.362
  145   1H2     G  13          1H2         G  13  -3.108  14.567 -24.834
  146   2H2     G  13          2H2         G  13  -4.718  14.307 -24.155
  147   1H5*    T  14          1H5*        T  14   3.564  14.209 -22.576
  148   2H5*    T  14          2H5*        T  14   2.320  13.720 -23.740
  149    H4*    T  14           H4*        T  14   1.505  15.451 -22.450
  150    H3*    T  14           H3*        T  14   2.736  14.551 -20.166
  151   1H2*    T  14          1H2*        T  14   1.596  12.566 -20.091
  152   2H2*    T  14          2H2*        T  14   0.615  13.465 -18.874
  153    H1*    T  14           H1*        T  14  -0.916  14.258 -20.343
  154    H3     T  14           H3         T  14  -4.051  11.005 -21.472
  155   1H5M    T  14           H51        T  14   0.730   8.630 -21.945
  156   2H5M    T  14           H52        T  14  -0.229   8.191 -20.467
  157   3H5M    T  14           H53        T  14  -0.862   7.833 -22.041
  158    H6     T  14           H6         T  14   0.709  11.097 -21.083
  159   1H5*    A  15          1H5*        A  15  -1.195  17.162 -17.384
  160   2H5*    A  15          2H5*        A  15  -1.395  16.468 -19.020
  161    H4*    A  15           H4*        A  15  -3.286  16.161 -17.392
  162    H3*    A  15           H3*        A  15  -1.116  15.003 -15.727
  163   1H2*    A  15          1H2*        A  15  -1.775  12.963 -15.787
  164   2H2*    A  15          2H2*        A  15  -3.322  13.443 -14.967
  165    H1*    A  15           H1*        A  15  -4.435  13.930 -16.860
  166    H8     A  15           H8         A  15  -1.530  11.757 -18.184
  167   1H6     A  15          1H6         A  15  -5.838   7.351 -18.829
  168   2H6     A  15          2H6         A  15  -4.133   7.707 -18.951
  169    H2     A  15           H2         A  15  -7.763  11.029 -17.046
  170   1H5*    G  16          1H5*        G  16  -5.842  16.440 -11.773
  171   2H5*    G  16          2H5*        G  16  -6.738  16.160 -13.247
  172    H4*    G  16           H4*        G  16  -7.690  14.569 -11.748
  173    H3*    G  16           H3*        G  16  -4.806  13.570 -11.527
  174   1H2*    G  16          1H2*        G  16  -5.602  11.652 -10.813
  175   2H2*    G  16          2H2*        G  16  -7.262  12.321 -10.404
  176    H1*    G  16           H1*        G  16  -8.004  12.058 -12.681
  177    H8     G  16           H8         G  16  -4.224  11.502 -12.934
  178    H1     G  16           H1         G  16  -8.096   7.337 -15.883
  179   1H2     G  16          1H2         G  16 -10.570   9.591 -14.629
  180   2H2     G  16          2H2         G  16 -10.361   8.031 -15.421
  181   1H5*    A  17          1H5*        A  17  -6.946  12.033  -7.640
  182   2H5*    A  17          2H5*        A  17  -6.925  10.939  -9.057
  183    H4*    A  17           H4*        A  17  -7.477   9.651  -7.251
  184    H3*    A  17           H3*        A  17  -6.076  10.960  -5.597
  185   1H2*    A  17          1H2*        A  17  -4.035  10.527  -6.956
  186   2H2*    A  17          2H2*        A  17  -3.792   9.398  -5.448
  187    H1*    A  17           H1*        A  17  -4.879   7.555  -6.735
  188    H8     A  17           H8         A  17  -3.748   9.813  -9.666
  189   1H6     A  17          1H6         A  17   0.967   5.745 -10.253
  190   2H6     A  17          2H6         A  17   0.063   7.028 -11.053
  191    H2     A  17           H2         A  17  -1.237   4.718  -6.561
  192   1H5*    G  18          1H5*        G  18 -10.400   8.807  -5.703
  193   2H5*    G  18          2H5*        G  18  -9.915   9.303  -7.303
  194    H4*    G  18           H4*        G  18 -11.581   7.532  -7.329
  195    H3*    G  18           H3*        G  18 -10.377   6.406  -5.143
  196   1H2*    G  18          1H2*        G  18  -8.493   5.815  -6.299
  197   2H2*    G  18          2H2*        G  18  -9.373   4.254  -6.351
  198    H1*    G  18           H1*        G  18 -10.289   4.648  -8.549
  199    H8     G  18           H8         G  18  -7.414   7.153  -8.170
  200    H1     G  18           H1         G  18  -5.677   2.097 -11.622
  201   1H2     G  18          1H2         G  18  -8.900   0.915 -11.044
  202   2H2     G  18          2H2         G  18  -7.272   0.623 -11.662
  203   1H5*    A  19          1H5*        A  19 -13.204   1.692  -4.814
  204   2H5*    A  19          2H5*        A  19 -12.663   2.287  -6.431
  205    H4*    A  19           H4*        A  19 -11.509   0.280  -5.935
  206    H3*    A  19           H3*        A  19 -10.900   1.843  -3.421
  207   1H2*    A  19          1H2*        A  19  -8.560   1.645  -3.648
  208   2H2*    A  19          2H2*        A  19  -8.820  -0.122  -3.950
  209    H1*    A  19           H1*        A  19  -8.687   0.102  -6.071
  210    H8     A  19           H8         A  19  -7.969   3.773  -4.712
  211   1H6     A  19          1H6         A  19  -3.186   3.286  -8.605
  212   2H6     A  19          2H6         A  19  -3.971   4.466  -7.585
  213    H2     A  19           H2         A  19  -5.577  -0.227  -9.143
  214   1H5*    T  20          1H5*        T  20 -10.632  -3.654  -3.367
  215   2H5*    T  20          2H5*        T  20 -10.304  -2.441  -4.639
  216    H4*    T  20           H4*        T  20  -9.137  -4.613  -4.819
  217    H3*    T  20           H3*        T  20  -8.835  -5.001  -2.272
  218   1H2*    T  20          1H2*        T  20  -7.650  -2.783  -2.203
  219   2H2*    T  20          2H2*        T  20  -6.269  -3.894  -1.833
  220    H1*    T  20           H1*        T  20  -5.827  -3.915  -4.269
  221    H3     T  20           H3         T  20  -3.660   0.037  -5.411
  222   1H5M    T  20           H51        T  20  -5.974   1.667  -1.304
  223   2H5M    T  20           H52        T  20  -6.414   2.583  -2.737
  224   3H5M    T  20           H53        T  20  -7.590   1.482  -1.955
  225    H6     T  20           H6         T  20  -7.286  -0.890  -2.432
  226   1H5*    G  21          1H5*        G  21  -4.796  -8.489  -3.698
  227   2H5*    G  21          2H5*        G  21  -5.099  -7.360  -5.026
  228    H4*    G  21           H4*        G  21  -2.516  -7.830  -5.007
  229    H3*    G  21           H3*        G  21  -2.872  -8.184  -2.288
  230   1H2*    G  21          1H2*        G  21  -3.127  -5.938  -1.884
  231   2H2*    G  21          2H2*        G  21  -1.451  -6.186  -1.443
  232    H1*    G  21           H1*        G  21  -0.816  -5.650  -3.925
  233    H8     G  21           H8         G  21  -4.004  -4.209  -2.420
  234    H1     G  21           H1         G  21   0.337   0.262  -3.874
  235   1H2     G  21          1H2         G  21   2.249  -2.568  -4.733
  236   2H2     G  21          2H2         G  21   2.102  -0.835  -5.065
  237   1H5*    G  22          1H5*        G  22   2.369  -7.696  -4.079
  238   2H5*    G  22          2H5*        G  22   1.217  -6.580  -4.814
  239    H4*    G  22           H4*        G  22   3.478  -5.648  -4.900
  240    H3*    G  22           H3*        G  22   4.077  -7.013  -2.826
  241   1H2*    G  22          1H2*        G  22   2.440  -5.913  -1.449
  242   2H2*    G  22          2H2*        G  22   3.969  -5.223  -0.790
  243    H1*    G  22           H1*        G  22   3.838  -3.350  -2.369
  244    H8     G  22           H8         G  22   0.642  -4.991  -1.221
  245    H1     G  22           H1         G  22   1.040   1.330  -0.275
  246   1H2     G  22          1H2         G  22   4.001   0.799  -2.093
  247   2H2     G  22          2H2         G  22   3.063   1.975  -1.136
  248   1HN    AP  23           H1        AP  23  -6.431   2.605 -16.156
  249    H2    AP  23           H2        AP  23  -3.160   3.583 -15.342
  250    H3    AP  23           H3        AP  23  -2.525   5.777 -13.855
  251    H4    AP  23           H4        AP  23  -3.296   7.583 -12.347
  252    H5    AP  23           H5        AP  23  -5.211   8.729 -11.122
  253    H6    AP  23           H6        AP  23  -7.771   8.965 -10.619
  254    H7    AP  23           H7        AP  23  -9.918   8.123 -10.881
  255    H8    AP  23           H8        AP  23 -10.333   6.172 -12.222
  256    H9    AP  23           H9        AP  23  -9.557   4.405 -13.718
  257    H10   AP  23           H10       AP  23  -7.857   3.286 -14.914
   
  Start of MODEL    9
    1   1H5*    C   1          1H5*        C   1   0.605  10.589   2.814
    2   2H5*    C   1          2H5*        C   1   1.129   9.335   4.003
    3    H4*    C   1           H4*        C   1   2.617   8.919   1.943
    4    H3*    C   1           H3*        C   1   0.916  10.310   0.423
    5   1H2*    C   1          1H2*        C   1  -0.760   8.542   0.608
    6   2H2*    C   1          2H2*        C   1   0.104   8.094  -0.922
    7    H1*    C   1           H1*        C   1   1.806   6.765   0.379
    8   1H4     C   1          1H4         C   1  -3.694   3.342   2.516
    9   2H4     C   1          2H4         C   1  -2.508   2.171   1.959
   10    H5     C   1           H5         C   1  -3.102   5.714   2.729
   11    H6     C   1           H6         C   1  -1.398   7.401   2.105
   12    H5T    C   1           H5T        C   1  -0.530   8.080   3.342
   13   1H5*    C   2          1H5*        C   2   5.022   7.842  -2.421
   14   2H5*    C   2          2H5*        C   2   4.339   7.060  -0.971
   15    H4*    C   2           H4*        C   2   5.397   5.454  -2.377
   16    H3*    C   2           H3*        C   2   4.637   6.620  -4.703
   17   1H2*    C   2          1H2*        C   2   2.357   6.518  -4.266
   18   2H2*    C   2          2H2*        C   2   2.585   5.221  -5.397
   19    H1*    C   2           H1*        C   2   2.782   3.534  -3.557
   20   1H4     C   2          1H4         C   2  -3.282   5.594  -1.875
   21   2H4     C   2          2H4         C   2  -3.346   3.838  -1.891
   22    H5     C   2           H5         C   2  -1.250   6.811  -1.988
   23    H6     C   2           H6         C   2   1.190   6.652  -2.550
   24   1H5*    A   3          1H5*        A   3   5.367   1.523  -5.926
   25   2H5*    A   3          2H5*        A   3   4.338   1.980  -4.507
   26    H4*    A   3           H4*        A   3   3.773  -0.246  -5.400
   27    H3*    A   3           H3*        A   3   4.210   0.811  -7.929
   28   1H2*    A   3          1H2*        A   3   2.056   2.001  -7.961
   29   2H2*    A   3          2H2*        A   3   1.375   0.405  -8.422
   30    H1*    A   3           H1*        A   3   0.979  -0.365  -6.428
   31    H8     A   3           H8         A   3   1.100   3.518  -6.747
   32   1H6     A   3          1H6         A   3  -4.612   3.601  -4.164
   33   2H6     A   3          2H6         A   3  -3.543   4.603  -5.137
   34    H2     A   3           H2         A   3  -3.264  -0.568  -4.444
   35   1H5*    T   4          1H5*        T   4   2.500  -4.060  -9.883
   36   2H5*    T   4          2H5*        T   4   1.960  -3.496  -8.270
   37    H4*    T   4           H4*        T   4   0.116  -4.656  -9.098
   38    H3*    T   4           H3*        T   4   0.772  -4.142 -11.729
   39   1H2*    T   4          1H2*        T   4   0.029  -1.722 -11.676
   40   2H2*    T   4          2H2*        T   4  -1.498  -2.490 -12.088
   41    H1*    T   4           H1*        T   4  -2.218  -2.790  -9.753
   42    H3     T   4           H3         T   4  -3.738   1.116  -8.270
   43   1H5M    T   4           H51        T   4  -0.047   3.546  -9.961
   44   2H5M    T   4           H52        T   4   1.219   2.314  -9.793
   45   3H5M    T   4           H53        T   4   0.267   2.417 -11.274
   46    H6     T   4           H6         T   4   0.338  -0.132 -10.440
   47   1H5*    C   5          1H5*        C   5  -4.623  -7.030 -12.516
   48   2H5*    C   5          2H5*        C   5  -4.052  -5.938 -11.232
   49    H4*    C   5           H4*        C   5  -5.946  -5.111 -12.506
   50    H3*    C   5           H3*        C   5  -4.216  -5.535 -14.801
   51   1H2*    C   5          1H2*        C   5  -3.725  -3.337 -15.100
   52   2H2*    C   5          2H2*        C   5  -5.459  -2.920 -15.379
   53    H1*    C   5           H1*        C   5  -6.057  -2.735 -13.226
   54   1H4     C   5          1H4         C   5  -2.036   2.611 -13.065
   55   2H4     C   5          2H4         C   5  -3.266   2.929 -11.880
   56    H5     C   5           H5         C   5  -1.663   0.388 -13.932
   57    H6     C   5           H6         C   5  -2.576  -1.829 -14.187
   58   1H5*    G   6          1H5*      APG   6  -9.014  -3.510 -15.873
   59   2H5*    G   6          2H5*      APG   6  -7.672  -3.220 -14.743
   60    H4*    G   6           H4*      APG   6  -8.978  -1.118 -15.292
   61    H3*    G   6           H3*      APG   6  -9.049  -1.942 -17.854
   62   1H2*    G   6          1H2*      APG   6  -6.695  -1.575 -18.164
   63   2H2*    G   6          2H2*      APG   6  -7.351   0.085 -18.632
   64    H1*    G   6           H1*      APG   6  -7.289   0.960 -16.448
   65    H1     G   6           H1       APG   6  -1.123  -2.256 -17.651
   66   1H2     G   6          1H2       APG   6  -2.321  -4.149 -18.309
   67   2H2     G   6          2H2       APG   6  -4.031  -4.196 -17.907
   68   1H5*    C   7          1H5*        C   7 -12.080  -0.456 -14.492
   69   2H5*    C   7          2H5*        C   7 -10.425   0.184 -14.815
   70    H4*    C   7           H4*        C   7 -12.030   1.895 -13.820
   71    H3*    C   7           H3*        C   7 -13.610   1.325 -16.024
   72   1H2*    C   7          1H2*        C   7 -12.066   2.556 -17.448
   73   2H2*    C   7          2H2*        C   7 -13.184   3.878 -16.988
   74    H1*    C   7           H1*        C   7 -11.655   4.450 -15.026
   75   1H4     C   7          1H4         C   7  -6.214   4.793 -18.752
   76   2H4     C   7          2H4         C   7  -6.611   6.395 -18.118
   77    H5     C   7           H5         C   7  -7.790   2.949 -18.516
   78    H6     C   7           H6         C   7  -9.952   2.287 -17.325
   79   1H5*    T   8          1H5*        T   8 -15.747   6.118 -14.056
   80   2H5*    T   8          2H5*        T   8 -14.077   5.485 -14.053
   81    H4*    T   8           H4*        T   8 -14.218   7.835 -14.557
   82    H3*    T   8           H3*        T   8 -16.441   7.262 -16.318
   83   1H2*    T   8          1H2*        T   8 -14.748   6.597 -18.174
   84   2H2*    T   8          2H2*        T   8 -15.169   8.342 -18.295
   85    H1*    T   8           H1*        T   8 -13.064   8.751 -16.743
   86    H3     T   8           H3         T   8  -9.193   7.951 -18.764
   87   1H5M    T   8           H51        T   8 -10.557   4.184 -21.030
   88   2H5M    T   8           H52        T   8 -11.754   3.535 -19.899
   89   3H5M    T   8           H53        T   8 -12.250   4.637 -21.228
   90    H6     T   8           H6         T   8 -13.319   5.590 -18.798
   91   1H5*    A   9          1H5*        A   9 -15.983  12.641 -15.158
   92   2H5*    A   9          2H5*        A   9 -14.574  11.563 -15.541
   93    H4*    A   9           H4*        A   9 -14.266  14.090 -16.137
   94    H3*    A   9           H3*        A   9 -16.691  13.621 -17.621
   95   1H2*    A   9          1H2*        A   9 -15.655  12.273 -19.354
   96   2H2*    A   9          2H2*        A   9 -15.133  13.894 -19.929
   97    H1*    A   9           H1*        A   9 -13.339  14.124 -18.897
   98    H8     A   9           H8         A   9 -14.597  10.579 -19.562
   99   1H6     A   9          1H6         A   9  -8.935   9.088 -21.886
  100   2H6     A   9          2H6         A   9 -10.558   8.462 -21.646
  101    H2     A   9           H2         A   9  -8.831  13.243 -20.258
  102   1H5*    C  10          1H5*        C  10 -14.497  18.430 -18.911
  103   2H5*    C  10          2H5*        C  10 -13.678  17.022 -18.208
  104    H4*    C  10           H4*        C  10 -12.108  18.297 -19.461
  105    H3*    C  10           H3*        C  10 -14.064  18.980 -21.285
  106   1H2*    C  10          1H2*        C  10 -14.314  16.743 -22.161
  107   2H2*    C  10          2H2*        C  10 -13.163  17.445 -23.353
  108    H1*    C  10           H1*        C  10 -11.262  16.849 -22.142
  109   1H4     C  10          1H4         C  10 -13.237  10.638 -23.462
  110   2H4     C  10          2H4         C  10 -11.491  10.759 -23.707
  111    H5     C  10           H5         C  10 -14.495  12.528 -22.529
  112    H6     C  10           H6         C  10 -14.322  14.683 -21.657
  113   1H5*    C  11          1H5*        C  11 -10.092  20.248 -24.928
  114   2H5*    C  11          2H5*        C  11  -9.812  19.008 -23.674
  115    H4*    C  11           H4*        C  11  -9.021  18.484 -25.941
  116    H3*    C  11           H3*        C  11 -11.885  18.813 -26.609
  117   1H2*    C  11          1H2*        C  11 -11.932  16.567 -27.830
  118   2H2*    C  11          2H2*        C  11 -10.442  16.849 -28.418
  119    H1*    C  11           H1*        C  11  -9.363  16.078 -27.175
  120   1H4     C  11          1H4         C  11 -14.280  11.689 -25.639
  121   2H4     C  11          2H4         C  11 -12.850  10.854 -26.240
  122    H5     C  11           H5         C  11 -14.165  14.206 -25.345
  123    H6     C  11           H6         C  11 -12.545  16.192 -25.687
  124   1H5*    G  12          1H5*        G  12  -6.483   2.500 -29.577
  125   2H5*    G  12          2H5*        G  12  -7.938   3.229 -30.250
  126    H4*    G  12           H4*        G  12  -5.901   4.534 -30.781
  127    H3*    G  12           H3*        G  12  -4.716   4.213 -28.476
  128   1H2*    G  12          1H2*        G  12  -6.924   5.032 -27.367
  129   2H2*    G  12          2H2*        G  12  -5.702   6.265 -26.960
  130    H1*    G  12           H1*        G  12  -6.306   7.437 -29.106
  131    H8     G  12           H8         G  12  -9.186   5.296 -28.213
  132    H1     G  12           H1         G  12  -9.999  11.537 -27.300
  133   1H2     G  12          1H2         G  12  -6.580  11.635 -27.984
  134   2H2     G  12          2H2         G  12  -8.106  12.546 -27.883
  135    H5T    G  12           H5T        G  12  -8.147   2.538 -27.984
  136   1H5*    G  13          1H5*        G  13  -1.956   9.238 -29.344
  137   2H5*    G  13          2H5*        G  13  -3.663   9.534 -29.753
  138    H4*    G  13           H4*        G  13  -2.461  11.476 -28.821
  139    H3*    G  13           H3*        G  13  -1.325   9.909 -26.876
  140   1H2*    G  13          1H2*        G  13  -3.306   9.447 -25.616
  141   2H2*    G  13          2H2*        G  13  -2.816  11.000 -24.884
  142    H1*    G  13           H1*        G  13  -3.980  12.253 -25.904
  143    H8     G  13           H8         G  13  -5.355   8.638 -26.177
  144    H1     G  13           H1         G  13  -9.388  12.878 -23.622
  145   1H2     G  13          1H2         G  13  -6.605  14.998 -24.164
  146   2H2     G  13          2H2         G  13  -8.347  15.006 -23.776
  147   1H5*    T  14          1H5*        T  14  -1.421  15.117 -25.149
  148   2H5*    T  14          2H5*        T  14  -2.969  14.558 -25.770
  149    H4*    T  14           H4*        T  14  -3.136  16.266 -23.968
  150    H3*    T  14           H3*        T  14  -1.064  15.174 -22.735
  151   1H2*    T  14          1H2*        T  14  -2.026  13.150 -22.215
  152   2H2*    T  14          2H2*        T  14  -2.364  14.043 -20.664
  153    H1*    T  14           H1*        T  14  -4.428  14.666 -21.225
  154    H3     T  14           H3         T  14  -7.558  11.505 -21.275
  155   1H5M    T  14           H51        T  14  -3.966   8.343 -22.212
  156   2H5M    T  14           H52        T  14  -4.558   8.696 -23.831
  157   3H5M    T  14           H53        T  14  -2.988   9.339 -23.295
  158    H6     T  14           H6         T  14  -3.044  11.576 -22.842
  159   1H5*    A  15          1H5*        A  15  -3.733  17.278 -18.264
  160   2H5*    A  15          2H5*        A  15  -4.347  16.626 -19.771
  161    H4*    A  15           H4*        A  15  -5.461  15.754 -17.751
  162    H3*    A  15           H3*        A  15  -2.824  15.105 -16.820
  163   1H2*    A  15          1H2*        A  15  -3.077  12.964 -16.933
  164   2H2*    A  15          2H2*        A  15  -4.529  13.142 -15.776
  165    H1*    A  15           H1*        A  15  -6.020  13.335 -17.403
  166    H8     A  15           H8         A  15  -3.039  11.657 -19.230
  167   1H6     A  15          1H6         A  15  -7.099   6.932 -19.942
  168   2H6     A  15          2H6         A  15  -5.392   7.284 -20.163
  169    H2     A  15           H2         A  15  -8.979   9.937 -17.511
  170   1H5*    G  16          1H5*        G  16  -5.729  16.234 -11.624
  171   2H5*    G  16          2H5*        G  16  -6.358  16.033 -13.250
  172    H4*    G  16           H4*        G  16  -6.827  14.161 -11.780
  173    H3*    G  16           H3*        G  16  -3.881  13.495 -11.792
  174   1H2*    G  16          1H2*        G  16  -4.470  11.424 -11.369
  175   2H2*    G  16          2H2*        G  16  -6.053  11.863 -10.526
  176    H1*    G  16           H1*        G  16  -7.198  12.064 -12.599
  177    H8     G  16           H8         G  16  -3.611  11.235 -13.673
  178    H1     G  16           H1         G  16  -8.196   7.378 -15.944
  179   1H2     G  16          1H2         G  16 -10.299   9.417 -14.047
  180   2H2     G  16          2H2         G  16 -10.143   8.039 -15.123
  181   1H5*    A  17          1H5*        A  17  -7.851  12.007  -7.537
  182   2H5*    A  17          2H5*        A  17  -7.443  11.356  -9.147
  183    H4*    A  17           H4*        A  17  -7.951   9.758  -7.375
  184    H3*    A  17           H3*        A  17  -6.931  11.088  -5.486
  185   1H2*    A  17          1H2*        A  17  -4.740  11.078  -6.405
  186   2H2*    A  17          2H2*        A  17  -4.659   9.763  -5.070
  187    H1*    A  17           H1*        A  17  -5.103   7.961  -6.802
  188    H8     A  17           H8         A  17  -3.462  11.049  -8.879
  189   1H6     A  17          1H6         A  17   0.197   6.644 -11.106
  190   2H6     A  17          2H6         A  17  -0.027   8.379 -10.975
  191    H2     A  17           H2         A  17  -2.497   4.736  -8.143
  192   1H5*    G  18          1H5*        G  18 -11.076   8.430  -5.498
  193   2H5*    G  18          2H5*        G  18 -10.938   8.923  -7.194
  194    H4*    G  18           H4*        G  18 -11.967   6.786  -7.139
  195    H3*    G  18           H3*        G  18  -9.526   5.906  -5.549
  196   1H2*    G  18          1H2*        G  18  -9.531   3.808  -6.711
  197   2H2*    G  18          2H2*        G  18 -11.161   4.071  -7.370
  198    H1*    G  18           H1*        G  18 -10.263   4.926  -9.147
  199    H8     G  18           H8         G  18  -7.360   7.102  -7.885
  200    H1     G  18           H1         G  18  -5.729   1.985 -11.377
  201   1H2     G  18          1H2         G  18  -9.099   1.163 -11.040
  202   2H2     G  18          2H2         G  18  -7.488   0.623 -11.533
  203   1H5*    A  19          1H5*        A  19 -13.251   1.361  -4.208
  204   2H5*    A  19          2H5*        A  19 -12.471   1.223  -5.771
  205    H4*    A  19           H4*        A  19 -11.296  -0.242  -4.329
  206    H3*    A  19           H3*        A  19 -11.446   1.725  -2.143
  207   1H2*    A  19          1H2*        A  19  -9.203   2.382  -2.334
  208   2H2*    A  19          2H2*        A  19  -8.752   0.642  -2.055
  209    H1*    A  19           H1*        A  19  -8.403   0.015  -4.036
  210    H8     A  19           H8         A  19  -7.960   3.937  -3.644
  211   1H6     A  19          1H6         A  19  -4.028   3.434  -8.210
  212   2H6     A  19          2H6         A  19  -4.938   4.558  -7.231
  213    H2     A  19           H2         A  19  -6.038  -0.522  -7.869
  214   1H5*    T  20          1H5*        T  20 -10.808  -3.590  -0.456
  215   2H5*    T  20          2H5*        T  20 -10.557  -2.540  -1.864
  216    H4*    T  20           H4*        T  20  -8.833  -4.158  -1.663
  217    H3*    T  20           H3*        T  20  -8.735  -3.918   1.016
  218   1H2*    T  20          1H2*        T  20  -7.867  -1.510   0.985
  219   2H2*    T  20          2H2*        T  20  -6.357  -2.468   1.096
  220    H1*    T  20           H1*        T  20  -6.123  -2.723  -1.301
  221    H3     T  20           H3         T  20  -4.219   0.888  -2.976
  222   1H5M    T  20           H51        T  20  -7.186   3.897  -0.780
  223   2H5M    T  20           H52        T  20  -8.519   2.855  -0.463
  224   3H5M    T  20           H53        T  20  -7.294   3.006   0.768
  225    H6     T  20           H6         T  20  -7.850   0.234   0.068
  226   1H5*    G  21          1H5*        G  21  -4.271  -7.575   0.771
  227   2H5*    G  21          2H5*        G  21  -4.864  -6.490  -0.482
  228    H4*    G  21           H4*        G  21  -2.418  -6.427  -0.400
  229    H3*    G  21           H3*        G  21  -2.692  -6.034   2.487
  230   1H2*    G  21          1H2*        G  21  -3.095  -3.866   2.261
  231   2H2*    G  21          2H2*        G  21  -1.313  -3.761   2.244
  232    H1*    G  21           H1*        G  21  -1.202  -3.843  -0.198
  233    H8     G  21           H8         G  21  -4.107  -2.219   1.831
  234    H1     G  21           H1         G  21  -1.185   1.599  -2.373
  235   1H2     G  21          1H2         G  21   0.424  -1.389  -3.341
  236   2H2     G  21          2H2         G  21   0.481   0.354  -3.475
  237   1H5*    G  22          1H5*        G  22   2.726  -7.576   1.257
  238   2H5*    G  22          2H5*        G  22   1.560  -6.738   0.215
  239    H4*    G  22           H4*        G  22   3.967  -6.073  -0.105
  240    H3*    G  22           H3*        G  22   4.556  -6.122   2.401
  241   1H2*    G  22          1H2*        G  22   2.846  -4.512   2.999
  242   2H2*    G  22          2H2*        G  22   4.315  -3.515   3.091
  243    H1*    G  22           H1*        G  22   4.028  -2.667   0.857
  244    H8     G  22           H8         G  22   0.923  -4.135   2.432
  245    H1     G  22           H1         G  22   0.338   2.066   0.945
  246   1H2     G  22          1H2         G  22   3.494   1.756  -0.390
  247   2H2     G  22          2H2         G  22   2.133   2.796   0.044
  248   1HN    AP  23           H1        AP  23  -6.292   2.864 -16.409
  249    H2    AP  23           H2        AP  23  -2.888   3.445 -15.526
  250    H3    AP  23           H3        AP  23  -2.012   5.415 -13.881
  251    H4    AP  23           H4        AP  23  -2.565   7.208 -12.297
  252    H5    AP  23           H5        AP  23  -4.342   8.514 -11.003
  253    H6    AP  23           H6        AP  23  -6.898   8.931 -10.482
  254    H7    AP  23           H7        AP  23  -9.160   8.303 -10.855
  255    H8    AP  23           H8        AP  23  -9.720   6.551 -12.325
  256    H9    AP  23           H9        AP  23  -9.115   4.810 -13.876
  257    H10   AP  23           H10       AP  23  -7.546   3.572 -15.073
   
   
  No H/Q in entry =         257