*HEADER    ANTIFREEZE PROTEIN                      14-NOV-04   1Y04              
*TITLE     SOLUTION STRUCTURE OF A RECOMBINANT TYPE I SCULPIN                    
*TITLE    2 ANTIFREEZE PROTEIN                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIFREEZE PEPTIDE SS-3;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RSS3;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MYOXOCEPHALUS SCORPIUS;                         
*SOURCE   3 ORGANISM_COMMON: SHORTHORN SCULPIN;                                  
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-2T                                   
*KEYWDS    TYPE I ANTIFREEZE PROTEIN, SCULPIN, NMR SPECTROSCOPY,                 
*KEYWDS   2 SOLUTION STRUCTURE, A-HELIX                                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.H.Y.KWAN, K.FAIRLEY, P.I.ANDERBERG, C.W.LIEW, M.M.HARDING,          
*AUTHOR   2 J.P.MACKAY                                                           
*REVDAT   1   15-MAR-05 1Y04    0                                                

 ASSI {   22}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.256 ppm2      8.233 CV     1
 ASSI {   33}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.267 ppm2      8.114 CV     1
 ASSI {   35}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.079 ppm2      7.787 CV     1
 ASSI {   38}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.249 ppm2      8.459 CV     1
 ASSI {   42}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.256 ppm2      8.332 CV     1
 ASSI {   44}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.243 ppm2      8.169 CV     1
 ASSI {   50}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.254 ppm2      8.388 CV     1
 ASSI {   52}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.261 ppm2      8.366 CV     1
 ASSI {   54}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.210 ppm2      8.416 CV     1
 ASSI {   56}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.519 ppm2      8.808 CV     1
 ASSI {   61}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.255 ppm2      8.043 CV     1
 ASSI {   63}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.251 ppm2      8.337 CV     1
 ASSI {   66}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.256 ppm2      8.172 CV     1
 ASSI {   72}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.337 ppm2      7.818 CV     1
 ASSI {   78}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.229 ppm2      8.129 CV     1
 ASSI {   80}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.142 ppm2      8.085 CV     1
 ASSI {   84}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.275 ppm2      8.089 CV     1
 ASSI {   87}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.222 ppm2      8.005 CV     1
 ASSI {   90}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.450 ppm2      8.938 CV     1
 ASSI {   94}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.203 ppm2      8.503 CV     1
 ASSI {   97}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.240 ppm2      7.934 CV     1
 ASSI {  101}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.709 ppm2      8.577 CV     1
 ASSI {  105}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.127 ppm2      8.269 CV     1
 ASSI {  107}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.246 ppm2      8.529 CV     1
 ASSI {  111}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      8.461 CV     1
 ASSI {  113}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.501 ppm2      8.862 CV     1
 ASSI {  117}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.450 ppm2      8.616 CV     1
 ASSI {  124}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.210 ppm2      8.378 CV     1
 ASSI {  127}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.307 ppm2      8.244 CV     1
 ASSI {  130}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.461 ppm2      8.803 CV     1
 ASSI {  135}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.213 ppm2      8.080 CV     1
 ASSI {  149}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.843 ppm2      8.937 CV     1
 ASSI {  150}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.680 ppm2      8.937 CV     1
 ASSI {  151}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.847 ppm2      2.679 CV     1
 ASSI {  152}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      6.000     4.500     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.450 ppm2      2.843 CV     1
 ASSI {  153}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.449 ppm2      2.677 CV     1
 ASSI {  155}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.852 ppm2      8.862 CV     1
 ASSI {  156}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
      6.000     4.500     0.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.501 ppm2      3.847 CV     1
 ASSI {  157}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.612 ppm2      8.808 CV     1
 ASSI {  158}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.554 ppm2      8.808 CV     1
 ASSI {  159}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.082 ppm2      8.808 CV     1
 ASSI {  160}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      8.808 CV     1
 ASSI {  161}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG3 ))
      6.000     4.500     0.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.519 ppm2      2.606 CV     1
 ASSI {  162}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HG2 ))
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.518 ppm2      2.549 CV     1
 ASSI {  163}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.518 ppm2      2.077 CV     1
 ASSI {  164}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      6.000     4.500     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.517 ppm2      2.017 CV     1
 ASSI {  165}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 3    and name HB2 ))
      6.000     4.500     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.612 ppm2      2.021 CV     1
 ASSI {  166}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HB2 ))
      6.000     4.500     0.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.552 ppm2      2.020 CV     1
 ASSI {  167}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HB2 ))
      6.000     4.500     0.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.080 ppm2      2.019 CV     1
 ASSI {  168}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 3    and name HB3 ))
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.612 ppm2      2.076 CV     1
 ASSI {  169}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 3    and name HG2 ))
      6.000     4.500     0.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.616 ppm2      2.549 CV     1
 ASSI {  170}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HB3 ))
      6.000     4.500     0.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.550 ppm2      2.076 CV     1
 ASSI {  171}
   (  segid "    " and resid 5    and name HB% )
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.435 ppm2      8.617 CV     1
 ASSI {  172}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HB% )
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.450 ppm2      1.436 CV     1
 ASSI {  173}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.870 ppm2      8.578 CV     1
 ASSI {  174}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB3 ))
      6.000     4.500     0.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.710 ppm2      2.874 CV     1
 ASSI {  175}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.038 ppm2      8.530 CV     1
 ASSI {  176}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.249 ppm2      4.039 CV     1
 ASSI {  177}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      6.000     4.500     0.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.246 ppm2      1.295 CV     1
 ASSI {  178}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      1.295 CV     1
 ASSI {  179}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.872 ppm2      8.504 CV     1
 OR {  179}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  180}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      8.502 CV     1
 ASSI {  181}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.636 ppm2      8.503 CV     1
 ASSI {  182}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HE  ))
      6.000     4.500     0.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.206 ppm2      7.303 CV     1
 ASSI {  183}
   (( segid "    " and resid 8    and name HD3 ))
   (( segid "    " and resid 8    and name HE  ))
      6.000     4.500     0.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.225 ppm2      7.303 CV     1
 OR {  183}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HE  ))
 ASSI {  184}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HE  ))
      6.000     4.500     0.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      7.303 CV     1
 OR {  184}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HE  ))
 ASSI {  185}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 8    and name HE  ))
      6.000     4.500     0.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      7.303 CV     1
 ASSI {  186}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HE  ))
      6.000     4.500     0.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.636 ppm2      7.303 CV     1
 ASSI {  187}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HD2 ))
      6.000     4.500     0.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.202 ppm2      3.229 CV     1
 OR {  187}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HD3 ))
 ASSI {  188}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      6.000     4.500     0.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.208 ppm2      1.869 CV     1
 OR {  188}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
 ASSI {  189}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG3 ))
      6.000     4.500     0.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.204 ppm2      1.741 CV     1
 ASSI {  190}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG2 ))
      6.000     4.500     0.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.204 ppm2      1.631 CV     1
 ASSI {  191}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HB2 ))
      6.000     4.500     0.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.225 ppm2      1.871 CV     1
 OR {  191}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HB3 ))
 OR {  191}
   (( segid "    " and resid 8    and name HD3 ))
   (( segid "    " and resid 8    and name HB2 ))
 OR {  191}
   (( segid "    " and resid 8    and name HD3 ))
   (( segid "    " and resid 8    and name HB3 ))
 ASSI {  192}
   (( segid "    " and resid 8    and name HD3 ))
   (( segid "    " and resid 8    and name HG3 ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.223 ppm2      1.744 CV     1
 OR {  192}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HG3 ))
 ASSI {  193}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HG2 ))
      6.000     4.500     0.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.221 ppm2      1.635 CV     1
 OR {  193}
   (( segid "    " and resid 8    and name HD3 ))
   (( segid "    " and resid 8    and name HG2 ))
 ASSI {  194}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HG2 ))
      6.000     4.500     0.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.866 ppm2      1.634 CV     1
 OR {  194}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HG2 ))
 ASSI {  195}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 8    and name HG2 ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.751 ppm2      1.639 CV     1
 ASSI {  196}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HG3 ))
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.868 ppm2      1.744 CV     1
 OR {  196}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HG3 ))
 ASSI {  197}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.457 ppm2      8.459 CV     1
 ASSI {  198}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.251 ppm2      1.452 CV     1
 ASSI {  199}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.125 ppm2      8.461 CV     1
 ASSI {  200}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.294 ppm2      8.461 CV     1
 ASSI {  201}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HG2%)
      6.000     4.500     0.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.134 ppm2      1.295 CV     1
 ASSI {  202}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 13   and name HG2%)
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.320 ppm2      1.295 CV     1
 ASSI {  204}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.533 ppm2      8.416 CV     1
 ASSI {  205}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HB% )
      6.000     4.500     0.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.212 ppm2      1.528 CV     1
 ASSI {  206}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.552 ppm2      8.388 CV     1
 ASSI {  207}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HB% )
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.254 ppm2      1.546 CV     1
 ASSI {  208}
   (  segid "    " and resid 7    and name HB% )
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      8.366 CV     1
 ASSI {  209}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HB% )
      6.000     4.500     0.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.259 ppm2      1.448 CV     1
 ASSI {  210}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.469 ppm2      8.378 CV     1
 ASSI {  211}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HB% )
      6.000     4.500     0.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      1.464 CV     1
 ASSI {  212}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.931 ppm2      8.269 CV     1
 ASSI {  213}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.682 ppm2      8.269 CV     1
 OR {  213}
   (( segid "    " and resid 22   and name HD3 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  214}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.441 ppm2      8.270 CV     1
 OR {  214}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  215}
   (( segid "    " and resid 22   and name HG3 ))
   (  segid "    " and resid 22   and name HZ% )
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.456 ppm2      7.708 CV     1
 OR {  215}
   (( segid "    " and resid 22   and name HG2 ))
   (  segid "    " and resid 22   and name HZ% )
 ASSI {  216}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 22   and name HZ% )
      6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.689 ppm2      7.708 CV     1
 OR {  216}
   (( segid "    " and resid 22   and name HD3 ))
   (  segid "    " and resid 22   and name HZ% )
 ASSI {  217}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HZ% )
      6.000     4.500     0.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.939 ppm2      7.708 CV     1
 OR {  217}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 22   and name HZ% )
 ASSI {  218}
   (( segid "    " and resid 22   and name HE3 ))
   (  segid "    " and resid 22   and name HZ% )
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.961 ppm2      7.708 CV     1
 OR {  218}
   (( segid "    " and resid 22   and name HE2 ))
   (  segid "    " and resid 22   and name HZ% )
 ASSI {  219}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HZ% )
      6.000     4.500     0.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.131 ppm2      7.699 CV     1
 ASSI {  220}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HE2 ))
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.130 ppm2      2.959 CV     1
 OR {  220}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HE3 ))
 ASSI {  221}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      6.000     4.500     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.128 ppm2      1.934 CV     1
 OR {  221}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  222}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HD3 ))
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.125 ppm2      1.677 CV     1
 OR {  222}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HD2 ))
 ASSI {  223}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG3 ))
      6.000     4.500     0.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.131 ppm2      1.442 CV     1
 OR {  223}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI {  224}
   (( segid "    " and resid 22   and name HE2 ))
   (( segid "    " and resid 22   and name HG3 ))
      6.000     4.500     0.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.961 ppm2      1.443 CV     1
 OR {  224}
   (( segid "    " and resid 22   and name HE2 ))
   (( segid "    " and resid 22   and name HG2 ))
 OR {  224}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 22   and name HG3 ))
 ASSI {  225}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 22   and name HD3 ))
      6.000     4.500     0.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.962 ppm2      1.680 CV     1
 OR {  225}
   (( segid "    " and resid 22   and name HE2 ))
   (( segid "    " and resid 22   and name HD2 ))
 OR {  225}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 22   and name HD2 ))
 ASSI {  226}
   (( segid "    " and resid 22   and name HE2 ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.964 ppm2      1.934 CV     1
 OR {  226}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  226}
   (( segid "    " and resid 22   and name HE2 ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI {  227}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HG2 ))
      6.000     4.500     0.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.931 ppm2      1.442 CV     1
 OR {  227}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG3 ))
 OR {  227}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI {  228}
   (( segid "    " and resid 22   and name HD3 ))
   (( segid "    " and resid 22   and name HG2 ))
      6.000     4.500     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.680 ppm2      1.443 CV     1
 OR {  228}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HG3 ))
 OR {  228}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI {  229}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HD2 ))
      6.000     4.500     0.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.931 ppm2      1.679 CV     1
 OR {  229}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HD2 ))
 OR {  229}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HD3 ))
 OR {  229}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HD3 ))
 ASSI {  230}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD3 ))
      6.000     4.500     0.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.416 ppm2      3.809 CV     1
 ASSI {  231}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HD2 ))
      6.000     4.500     0.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.420 ppm2      3.728 CV     1
 ASSI {  232}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HD2 ))
      6.000     4.500     0.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.817 ppm2      3.728 CV     1
 ASSI {  233}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB3 ))
      6.000     4.500     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      2.330 CV     1
 ASSI {  234}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HB3 ))
      6.000     4.500     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.813 ppm2      2.330 CV     1
 ASSI {  235}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HB3 ))
      6.000     4.500     0.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.724 ppm2      2.330 CV     1
 ASSI {  236}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     4.500     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      2.090 CV     1
 ASSI {  237}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      2.006 CV     1
 ASSI {  238}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      6.000     4.500     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      1.903 CV     1
 ASSI {  239}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     4.500     0.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.725 ppm2      2.090 CV     1
 ASSI {  240}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.725 ppm2      2.005 CV     1
 ASSI {  241}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HB2 ))
      6.000     4.500     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.724 ppm2      1.904 CV     1
 ASSI {  242}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     4.500     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.815 ppm2      2.090 CV     1
 ASSI {  243}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.815 ppm2      2.006 CV     1
 ASSI {  244}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HB2 ))
      6.000     4.500     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.813 ppm2      1.903 CV     1
 ASSI {  245}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HB2 ))
      6.000     4.500     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.337 ppm2      1.901 CV     1
 ASSI {  246}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.335 ppm2      2.006 CV     1
 ASSI {  247}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HG3 ))
      6.000     4.500     0.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.331 ppm2      2.090 CV     1
 ASSI {  248}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HB2 ))
      6.000     4.500     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.012 ppm2      1.903 CV     1
 ASSI {  249}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HB2 ))
      6.000     4.500     0.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.094 ppm2      1.903 CV     1
 ASSI {  250}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.097 ppm2      2.005 CV     1
 ASSI {  251}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.378 ppm2      7.787 CV     1
 ASSI {  252}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HB% )
      6.000     4.500     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      1.379 CV     1
 ASSI {  253}
   (  segid "    " and resid 32   and name HB% )
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.472 ppm2      7.933 CV     1
 ASSI {  254}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HB% )
      6.000     4.500     0.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.241 ppm2      1.467 CV     1
 ASSI {  255}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.439 ppm2      7.818 CV     1
 ASSI {  256}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HB% )
      6.000     4.500     0.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.339 ppm2      1.439 CV     1
 ASSI {  257}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HB% )
      6.000     4.500     0.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.285 ppm2      1.462 CV     1
 ASSI {  258}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.280 ppm2      7.852 CV     1
 ASSI {  259}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.462 ppm2      7.853 CV     1
 ASSI {  260}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.008 ppm2      8.244 CV     1
 ASSI {  261}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.885 ppm2      8.245 CV     1
 ASSI {  262}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 12   and name HZ% )
      6.000     4.500     0.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.009 ppm2      7.805 CV     1
 ASSI {  263}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 12   and name HZ% )
      6.000     4.500     0.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.885 ppm2      7.805 CV     1
 ASSI {  264}
   (( segid "    " and resid 12   and name HD3 ))
   (  segid "    " and resid 12   and name HZ% )
      6.000     4.500     0.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      7.805 CV     1
 ASSI {  265}
   (( segid "    " and resid 12   and name HD2 ))
   (  segid "    " and resid 12   and name HZ% )
      6.000     4.500     0.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.651 ppm2      7.805 CV     1
 ASSI {  266}
   (( segid "    " and resid 12   and name HG2 ))
   (  segid "    " and resid 12   and name HZ% )
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.497 ppm2      7.804 CV     1
 OR {  266}
   (( segid "    " and resid 12   and name HG3 ))
   (  segid "    " and resid 12   and name HZ% )
 ASSI {  267}
   (( segid "    " and resid 12   and name HE2 ))
   (  segid "    " and resid 12   and name HZ% )
      6.000     4.500     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.023 ppm2      7.806 CV     1
 OR {  267}
   (( segid "    " and resid 12   and name HE3 ))
   (  segid "    " and resid 12   and name HZ% )
 ASSI {  268}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      6.000     4.500     0.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.308 ppm2      2.010 CV     1
 ASSI {  269}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      6.000     4.500     0.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.308 ppm2      1.883 CV     1
 ASSI {  270}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD3 ))
      6.000     4.500     0.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.309 ppm2      1.741 CV     1
 ASSI {  271}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD2 ))
      6.000     4.500     0.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.309 ppm2      1.651 CV     1
 ASSI {  272}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG3 ))
      6.000     4.500     0.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.309 ppm2      1.488 CV     1
 OR {  272}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  273}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HG3 ))
      6.000     4.500     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.021 ppm2      1.488 CV     1
 OR {  273}
   (( segid "    " and resid 12   and name HE3 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  273}
   (( segid "    " and resid 12   and name HE3 ))
   (( segid "    " and resid 12   and name HG3 ))
 ASSI {  274}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HD2 ))
      6.000     4.500     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.024 ppm2      1.648 CV     1
 OR {  274}
   (( segid "    " and resid 12   and name HE3 ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI {  276}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HB2 ))
      6.000     4.500     0.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.018 ppm2      1.880 CV     1
 OR {  276}
   (( segid "    " and resid 12   and name HE3 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  277}
   (( segid "    " and resid 12   and name HE2 ))
   (( segid "    " and resid 12   and name HB3 ))
      6.000     4.500     0.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.024 ppm2      2.005 CV     1
 OR {  277}
   (( segid "    " and resid 12   and name HE3 ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {  278}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HE2 ))
      6.000     4.500     0.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.312 ppm2      3.022 CV     1
 OR {  278}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HE3 ))
 ASSI {  279}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HG2 ))
      6.000     4.500     0.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.012 ppm2      1.488 CV     1
 OR {  279}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HG3 ))
 ASSI {  280}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG3 ))
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.893 ppm2      1.488 CV     1
 OR {  280}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  281}
   (( segid "    " and resid 12   and name HD3 ))
   (( segid "    " and resid 12   and name HG2 ))
      6.000     4.500     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.750 ppm2      1.488 CV     1
 OR {  281}
   (( segid "    " and resid 12   and name HD3 ))
   (( segid "    " and resid 12   and name HG3 ))
 ASSI {  282}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG3 ))
      6.000     4.500     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.656 ppm2      1.489 CV     1
 OR {  282}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  283}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HD3 ))
      6.000     4.500     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.009 ppm2      1.741 CV     1
 ASSI {  284}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HD3 ))
      6.000     4.500     0.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.884 ppm2      1.742 CV     1
 ASSI {  285}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HD2 ))
      6.000     4.500     0.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.885 ppm2      1.646 CV     1
 ASSI {  286}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HD2 ))
      6.000     4.500     0.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.008 ppm2      1.649 CV     1
 ASSI {  287}
   (( segid "    " and resid 12   and name HD3 ))
   (( segid "    " and resid 12   and name HD2 ))
      6.000     4.500     0.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.745 ppm2      1.649 CV     1
 ASSI {  288}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
      6.000     4.500     0.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.006 ppm2      1.876 CV     1
 ASSI {  289}
   (( segid "    " and resid 23   and name HE2 ))
   (  segid "    " and resid 23   and name HZ% )
      6.000     4.500     0.000 peak   289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.030 ppm2      7.841 CV     1
 OR {  289}
   (( segid "    " and resid 23   and name HE3 ))
   (  segid "    " and resid 23   and name HZ% )
 ASSI {  290}
   (( segid "    " and resid 23   and name HB3 ))
   (  segid "    " and resid 23   and name HZ% )
      6.000     4.500     0.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      7.840 CV     1
 ASSI {  291}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 23   and name HZ% )
      6.000     4.500     0.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.897 ppm2      7.840 CV     1
 ASSI {  292}
   (( segid "    " and resid 23   and name HD3 ))
   (  segid "    " and resid 23   and name HZ% )
      6.000     4.500     0.000 peak   292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.761 ppm2      7.841 CV     1
 ASSI {  293}
   (( segid "    " and resid 23   and name HD2 ))
   (  segid "    " and resid 23   and name HZ% )
      6.000     4.500     0.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.658 ppm2      7.842 CV     1
 ASSI {  294}
   (( segid "    " and resid 23   and name HG2 ))
   (  segid "    " and resid 23   and name HZ% )
      6.000     4.500     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.512 ppm2      7.840 CV     1
 ASSI {  295}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.065 ppm2      8.041 CV     1
 ASSI {  296}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.897 ppm2      8.042 CV     1
 ASSI {  297}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.761 ppm2      8.041 CV     1
 ASSI {  298}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.512 ppm2      8.042 CV     1
 ASSI {  299}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.065 ppm2      1.504 CV     1
 ASSI {  300}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.900 ppm2      1.507 CV     1
 ASSI {  301}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.763 ppm2      1.504 CV     1
 ASSI {  302}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.659 ppm2      1.505 CV     1
 ASSI {  304}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.900 ppm2      1.655 CV     1
 ASSI {  305}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HD3 ))
      6.000     4.500     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.894 ppm2      1.760 CV     1
 ASSI {  306}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HD3 ))
      6.000     4.500     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      1.759 CV     1
 ASSI {  307}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      1.653 CV     1
 ASSI {  308}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      1.895 CV     1
 ASSI {  309}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     4.500     0.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.028 ppm2      2.061 CV     1
 OR {  309}
   (( segid "    " and resid 23   and name HE2 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  310}
   (( segid "    " and resid 23   and name HE2 ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.030 ppm2      1.896 CV     1
 OR {  310}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  312}
   (( segid "    " and resid 23   and name HE2 ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.033 ppm2      1.654 CV     1
 OR {  312}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI {  313}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.033 ppm2      1.504 CV     1
 OR {  313}
   (( segid "    " and resid 23   and name HE2 ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI {  314}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.254 ppm2      1.508 CV     1
 ASSI {  315}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.248 ppm2      1.655 CV     1
 ASSI {  316}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD3 ))
      6.000     4.500     0.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.247 ppm2      1.756 CV     1
 ASSI {  317}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.250 ppm2      1.896 CV     1
 ASSI {  318}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     4.500     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.250 ppm2      2.061 CV     1
 ASSI {  319}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HE3 ))
      6.000     4.500     0.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.258 ppm2      3.030 CV     1
 OR {  319}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HE2 ))
 ASSI {  320}
   (  segid "    " and resid 31   and name HB% )
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.479 ppm2      8.004 CV     1
 ASSI {  321}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HB% )
      6.000     4.500     0.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.224 ppm2      1.475 CV     1
 ASSI {  322}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.522 ppm2      8.233 CV     1
 ASSI {  323}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.257 ppm2      1.516 CV     1
 ASSI {  324}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.788 ppm2      8.089 CV     1
 OR {  324}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  326}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.712 ppm2      8.089 CV     1
 ASSI {  327}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 18   and name HD1%)
      6.000     4.500     0.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.978 ppm2      0.930 CV     1
 ASSI {  328}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 18   and name HD1%)
      6.000     4.500     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.711 ppm2      0.930 CV     1
 ASSI {  329}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 18   and name HD2%)
      6.000     4.500     0.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.711 ppm2      0.973 CV     1
 ASSI {  330}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 18   and name HD2%)
      6.000     4.500     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.788 ppm2      0.971 CV     1
 OR {  330}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
 ASSI {  331}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
      6.000     4.500     0.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.788 ppm2      0.930 CV     1
 OR {  331}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  332}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HG  ))
      6.000     4.500     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.788 ppm2      1.704 CV     1
 OR {  332}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HG  ))
 ASSI {  333}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.269 ppm2      1.785 CV     1
 OR {  333}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI {  334}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HG  ))
      6.000     4.500     0.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.269 ppm2      1.710 CV     1
 ASSI {  335}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
      6.000     4.500     0.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.275 ppm2      0.973 CV     1
 ASSI {  336}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      6.000     4.500     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.275 ppm2      0.928 CV     1
 ASSI {  337}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.269 ppm2      8.040 CV     1
 ASSI {  338}
   (  segid "    " and resid 25   and name HB% )
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.498 ppm2      8.040 CV     1
 ASSI {  339}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HB% )
      6.000     4.500     0.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.270 ppm2      1.493 CV     1
 ASSI {  340}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
      6.000     4.500     0.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.142 ppm2      1.540 CV     1
 ASSI {  341}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.545 ppm2      8.083 CV     1
 ASSI {  342}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.566 ppm2      8.079 CV     1
 ASSI {  343}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.213 ppm2      1.564 CV     1
 ASSI {  344}
   (  segid "    " and resid 29   and name HB% )
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.535 ppm2      8.173 CV     1
 ASSI {  345}
   (  segid "    " and resid 17   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.519 ppm2      8.169 CV     1
 ASSI {  346}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HB% )
      6.000     4.500     0.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.274 ppm2      1.529 CV     1
 ASSI {  347}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HB% )
      6.000     4.500     0.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.243 ppm2      1.515 CV     1
 ASSI {  349}
   (  segid "    " and resid 30   and name HB% )
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.519 ppm2      8.128 CV     1
 ASSI {  350}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HB% )
      6.000     4.500     0.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.227 ppm2      1.514 CV     1
 ASSI {  351}
   (  segid "    " and resid 28   and name HB% )
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.520 ppm2      8.114 CV     1
 ASSI {  352}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HB% )
      6.000     4.500     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.266 ppm2      1.518 CV     1
 ASSI {  353}
   (( segid "    " and resid 8    and name HH22))
   (( segid "    " and resid 8    and name HH11))
      6.000     4.500     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.568 ppm2      7.012 CV     1
 ASSI {  354}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 13   and name HA  ))
      6.000     4.500     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.321 ppm2      4.126 CV     1
 ASSI {  355}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.501 ppm2      8.808 CV     1
 ASSI {  356}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.852 ppm2      8.808 CV     1
 ASSI {  357}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.892 ppm2      8.862 CV     1
 ASSI {  358}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.892 ppm2      8.807 CV     1
 ASSI {  359}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
      6.000     4.500     0.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.501 ppm2      3.887 CV     1
 ASSI {  360}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.870 ppm2      8.804 CV     1
 ASSI {  361}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.687 ppm2      8.804 CV     1
 ASSI {  362}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.870 ppm2      2.683 CV     1
 ASSI {  363}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.463 ppm2      2.682 CV     1
 ASSI {  364}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      6.000     4.500     0.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.463 ppm2      2.865 CV     1
 ASSI {  365}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.500     0.800     0.800 peak   365 spectrum    1 weight  0.10000E+01 volume  0.52499E-01 ppm1      4.519 ppm2      8.577 CV     1
 ASSI {  366}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.612 ppm2      8.577 CV     1
 ASSI {  367}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.554 ppm2      8.579 CV     1
 ASSI {  368}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      4.000     2.000     2.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.28281E-02 ppm1      2.022 ppm2      8.579 CV     1
 ASSI {  369}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
      3.500     1.500     1.500 peak   369 spectrum    1 weight  0.10000E+01 volume  0.67240E-02 ppm1      2.082 ppm2      8.579 CV     1
 ASSI {  370}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.200     1.300     1.300 peak   370 spectrum    1 weight  0.10000E+01 volume  0.10089E-01 ppm1      8.580 ppm2      8.809 CV     1
 ASSI {  371}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.500     0.800     0.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.45239E-01 ppm1      4.709 ppm2      8.617 CV     1
 ASSI {  372}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.25041E-01 ppm1      2.870 ppm2      8.618 CV     1
 ASSI {  373}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HD3 ))
      3.200     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.11133E-01 ppm1      4.452 ppm2      3.809 CV     1
 ASSI {  374}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HD2 ))
      3.300     1.300     1.300 peak   374 spectrum    1 weight  0.10000E+01 volume  0.97609E-02 ppm1      4.449 ppm2      3.728 CV     1
 ASSI {  375}
   (( segid "    " and resid 6    and name HD3 ))
   (  segid "    " and resid 5    and name HB% )
      2.800     1.000     1.000 peak   375 spectrum    1 weight  0.11000E+02 volume  0.26135E-01 ppm1      3.811 ppm2      1.436 CV     1
 ASSI {  376}
   (( segid "    " and resid 6    and name HD2 ))
   (  segid "    " and resid 5    and name HB% )
      2.900     1.000     1.000 peak   376 spectrum    1 weight  0.11000E+02 volume  0.21535E-01 ppm1      3.726 ppm2      1.436 CV     1
 ASSI {  377}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak   377 spectrum    1 weight  0.10000E+01 volume  0.30721E-01 ppm1      4.411 ppm2      8.366 CV     1
 ASSI {  378}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 7    and name HN  ))
      3.900     1.900     1.900 peak   378 spectrum    1 weight  0.10000E+01 volume  0.31796E-02 ppm1      3.809 ppm2      8.366 CV     1
 ASSI {  379}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.300     1.400     1.400 peak   379 spectrum    1 weight  0.11000E+02 volume  0.92250E-02 ppm1      3.724 ppm2      8.366 CV     1
 ASSI {  380}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
      3.500     1.500     1.500 peak   380 spectrum    1 weight  0.10000E+01 volume  0.68214E-02 ppm1      2.331 ppm2      8.366 CV     1
 ASSI {  381}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 7    and name HN  ))
      3.900     1.900     1.900 peak   381 spectrum    1 weight  0.10000E+01 volume  0.31473E-02 ppm1      2.087 ppm2      8.365 CV     1
 ASSI {  382}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.700     1.700     1.700 peak   382 spectrum    1 weight  0.11000E+02 volume  0.45594E-02 ppm1      2.007 ppm2      8.366 CV     1
 ASSI {  383}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.000     1.100     1.100 peak   383 spectrum    1 weight  0.10000E+01 volume  0.16936E-01 ppm1      1.904 ppm2      8.366 CV     1
 ASSI {  384}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.259 ppm2      8.503 CV     1
 ASSI {  385}
   (  segid "    " and resid 7    and name HB% )
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      8.503 CV     1
 ASSI {  386}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak   386 spectrum    1 weight  0.10000E+01 volume  0.12280E-01 ppm1      8.363 ppm2      8.502 CV     1
 ASSI {  387}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak   387 spectrum    1 weight  0.10000E+01 volume  0.33642E-01 ppm1      4.203 ppm2      8.459 CV     1
 ASSI {  388}
   (( segid "    " and resid 8    and name HD2 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.217 ppm2      8.505 CV     1
 OR {  388}
   (( segid "    " and resid 8    and name HD3 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  389}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.872 ppm2      8.459 CV     1
 OR {  389}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {  390}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 9    and name HN  ))
      3.800     1.800     1.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.36771E-02 ppm1      1.747 ppm2      8.460 CV     1
 ASSI {  391}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.636 ppm2      8.459 CV     1
 ASSI {  392}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.250 ppm2      8.378 CV     1
 ASSI {  393}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak   393 spectrum    1 weight  0.10000E+01 volume  0.12062E-01 ppm1      8.379 ppm2      8.459 CV     1
 ASSI {  394}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.459 ppm2      8.378 CV     1
 ASSI {  395}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.210 ppm2      8.337 CV     1
 ASSI {  396}
   (  segid "    " and resid 10   and name HB% )
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.467 ppm2      8.337 CV     1
 ASSI {  397}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.470 ppm2      8.337 CV     1
 ASSI {  398}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HB% )
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.251 ppm2      1.466 CV     1
 ASSI {  399}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.470 ppm2      8.244 CV     1
 ASSI {  400}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.251 ppm2      8.244 CV     1
 ASSI {  401}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.100     1.100 peak   401 spectrum    1 weight  0.10000E+01 volume  0.18224E-01 ppm1      8.244 ppm2      8.338 CV     1
 ASSI {  402}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.307 ppm2      8.461 CV     1
 ASSI {  403}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      2.900     1.100     1.100 peak   403 spectrum    1 weight  0.10000E+01 volume  0.19548E-01 ppm1      2.008 ppm2      8.460 CV     1
 ASSI {  404}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.885 ppm2      8.460 CV     1
 ASSI {  405}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.653 ppm2      8.245 CV     1
 ASSI {  406}
   (( segid "    " and resid 12   and name HD3 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.748 ppm2      8.245 CV     1
 ASSI {  407}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.653 ppm2      8.461 CV     1
 ASSI {  408}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak   408 spectrum    1 weight  0.10000E+01 volume  0.12421E-01 ppm1      8.245 ppm2      8.461 CV     1
 ASSI {  409}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HB% )
      6.000     4.500     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.256 ppm2      1.481 CV     1
 ASSI {  410}
   (  segid "    " and resid 14   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.487 ppm2      8.331 CV     1
 ASSI {  411}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.100     1.100 peak   411 spectrum    1 weight  0.10000E+01 volume  0.18733E-01 ppm1      4.319 ppm2      8.332 CV     1
 ASSI {  412}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.200     1.200 peak   412 spectrum    1 weight  0.10000E+01 volume  0.14904E-01 ppm1      4.125 ppm2      8.332 CV     1
 ASSI {  413}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak   413 spectrum    1 weight  0.10000E+01 volume  0.10075E-01 ppm1      1.294 ppm2      8.331 CV     1
 ASSI {  414}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.300     1.300 peak   414 spectrum    1 weight  0.10000E+01 volume  0.97516E-02 ppm1      8.336 ppm2      8.461 CV     1
 ASSI {  415}
   (  segid "    " and resid 14   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.487 ppm2      8.416 CV     1
 ASSI {  416}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.256 ppm2      8.417 CV     1
 ASSI {  417}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   417 spectrum    1 weight  0.10000E+01 volume  0.33084E-01 ppm1      1.533 ppm2      8.803 CV     1
 ASSI {  418}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.700     1.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.50065E-02 ppm1      4.210 ppm2      8.803 CV     1
 ASSI {  419}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.20769E-01 ppm1      8.416 ppm2      8.803 CV     1
 ASSI {  420}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak   420 spectrum    1 weight  0.10000E+01 volume  0.14523E-01 ppm1      4.459 ppm2      8.170 CV     1
 ASSI {  421}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.100     1.100 peak   421 spectrum    1 weight  0.10000E+01 volume  0.18653E-01 ppm1      2.871 ppm2      8.170 CV     1
 ASSI {  422}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak   422 spectrum    1 weight  0.10000E+01 volume  0.15989E-01 ppm1      2.686 ppm2      8.170 CV     1
 ASSI {  423}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.21349E-01 ppm1      8.169 ppm2      8.802 CV     1
 ASSI {  424}
   (  segid "    " and resid 17   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.519 ppm2      8.089 CV     1
 ASSI {  425}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.243 ppm2      8.089 CV     1
 ASSI {  426}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.100     1.100 peak   426 spectrum    1 weight  0.10000E+01 volume  0.19375E-01 ppm1      8.092 ppm2      8.170 CV     1
 ASSI {  427}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.712 ppm2      8.084 CV     1
 ASSI {  428}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.788 ppm2      8.084 CV     1
 ASSI {  429}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.275 ppm2      8.084 CV     1
 ASSI {  430}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.142 ppm2      8.234 CV     1
 ASSI {  431}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.545 ppm2      8.234 CV     1
 ASSI {  432}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.085 ppm2      8.235 CV     1
 ASSI {  433}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.522 ppm2      8.080 CV     1
 ASSI {  434}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.256 ppm2      8.080 CV     1
 ASSI {  435}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.087 ppm2      8.234 CV     1
 ASSI {  436}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.213 ppm2      8.269 CV     1
 ASSI {  437}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.566 ppm2      8.269 CV     1
 ASSI {  438}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.441 ppm2      8.042 CV     1
 OR {  438}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  439}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.682 ppm2      8.042 CV     1
 OR {  439}
   (( segid "    " and resid 22   and name HD3 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  440}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.931 ppm2      8.042 CV     1
 OR {  440}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  441}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.23593E-01 ppm1      4.127 ppm2      8.042 CV     1
 ASSI {  442}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.000     1.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.21248E-01 ppm1      8.042 ppm2      8.269 CV     1
 ASSI {  443}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.256 ppm2      8.529 CV     1
 ASSI {  444}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.100     1.100 peak   444 spectrum    1 weight  0.10000E+01 volume  0.18202E-01 ppm1      2.065 ppm2      8.529 CV     1
 ASSI {  445}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.897 ppm2      8.530 CV     1
 ASSI {  446}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.758 ppm2      8.530 CV     1
 ASSI {  447}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.653 ppm2      8.528 CV     1
 ASSI {  448}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak   448 spectrum    1 weight  0.10000E+01 volume  0.10155E-01 ppm1      1.511 ppm2      8.531 CV     1
 ASSI {  449}
   (( segid "    " and resid 23   and name HE3 ))
   (( segid "    " and resid 23   and name HG3 ))
      6.000     4.500     0.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.030 ppm2      1.449 CV     1
 OR {  449}
   (( segid "    " and resid 23   and name HE2 ))
   (( segid "    " and resid 23   and name HG3 ))
 ASSI {  450}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HG3 ))
      6.000     4.500     0.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.066 ppm2      1.450 CV     1
 ASSI {  451}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG3 ))
      6.000     4.500     0.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.896 ppm2      1.448 CV     1
 ASSI {  452}
   (( segid "    " and resid 23   and name HD3 ))
   (( segid "    " and resid 23   and name HG3 ))
      6.000     4.500     0.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.763 ppm2      1.448 CV     1
 ASSI {  453}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG3 ))
      6.000     4.500     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.658 ppm2      1.449 CV     1
 ASSI {  454}
   (( segid "    " and resid 23   and name HG3 ))
   (  segid "    " and resid 23   and name HZ% )
      6.000     4.500     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.452 ppm2      7.842 CV     1
 ASSI {  455}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.452 ppm2      8.043 CV     1
 ASSI {  456}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.455 ppm2      8.530 CV     1
 ASSI {  457}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG3 ))
      6.000     4.500     0.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.254 ppm2      1.448 CV     1
 ASSI {  458}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.293 ppm2      8.531 CV     1
 ASSI {  459}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.040 ppm2      8.531 CV     1
 ASSI {  460}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.245 ppm2      8.040 CV     1
 ASSI {  461}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak   461 spectrum    1 weight  0.10000E+01 volume  0.15697E-01 ppm1      4.038 ppm2      8.039 CV     1
 ASSI {  462}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.200     1.200 peak   462 spectrum    1 weight  0.10000E+01 volume  0.15072E-01 ppm1      1.293 ppm2      8.040 CV     1
 ASSI {  463}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.045 ppm2      8.531 CV     1
 ASSI {  464}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.269 ppm2      8.389 CV     1
 ASSI {  465}
   (  segid "    " and resid 25   and name HB% )
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.498 ppm2      8.389 CV     1
 ASSI {  466}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     0.900     0.900 peak   466 spectrum    1 weight  0.10000E+01 volume  0.26803E-01 ppm1      8.040 ppm2      8.387 CV     1
 ASSI {  467}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.26241E-01 ppm1      1.552 ppm2      8.937 CV     1
 ASSI {  468}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.24762E-01 ppm1      4.251 ppm2      8.937 CV     1
 ASSI {  469}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.389 ppm2      8.937 CV     1
 ASSI {  470}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.449 ppm2      8.114 CV     1
 ASSI {  471}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.23174E-01 ppm1      2.845 ppm2      8.115 CV     1
 ASSI {  472}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.100     1.100 peak   472 spectrum    1 weight  0.10000E+01 volume  0.17924E-01 ppm1      2.679 ppm2      8.114 CV     1
 ASSI {  473}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.25462E-01 ppm1      8.112 ppm2      8.936 CV     1
 ASSI {  474}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.267 ppm2      8.172 CV     1
 ASSI {  475}
   (  segid "    " and resid 28   and name HB% )
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.520 ppm2      8.173 CV     1
 ASSI {  476}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.257 ppm2      8.128 CV     1
 ASSI {  477}
   (  segid "    " and resid 29   and name HB% )
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.535 ppm2      8.129 CV     1
 ASSI {  478}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.229 ppm2      8.005 CV     1
 ASSI {  479}
   (  segid "    " and resid 30   and name HB% )
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.519 ppm2      8.005 CV     1
 ASSI {  480}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.800     0.800 peak   480 spectrum    1 weight  0.10000E+01 volume  0.40233E-01 ppm1      8.003 ppm2      8.130 CV     1
 ASSI {  481}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.221 ppm2      7.934 CV     1
 ASSI {  482}
   (  segid "    " and resid 31   and name HB% )
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.479 ppm2      7.934 CV     1
 ASSI {  483}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.28321E-01 ppm1      7.931 ppm2      8.005 CV     1
 ASSI {  484}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak   484 spectrum    1 weight  0.10000E+01 volume  0.15586E-01 ppm1      4.240 ppm2      7.852 CV     1
 ASSI {  485}
   (  segid "    " and resid 32   and name HB% )
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.472 ppm2      7.853 CV     1
 ASSI {  486}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak   486 spectrum    1 weight  0.10000E+01 volume  0.32845E-01 ppm1      7.851 ppm2      7.934 CV     1
 ASSI {  487}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak   487 spectrum    1 weight  0.10000E+01 volume  0.13262E-01 ppm1      4.280 ppm2      7.818 CV     1
 ASSI {  488}
   (  segid "    " and resid 33   and name HB% )
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.461 ppm2      7.818 CV     1
 ASSI {  489}
   (  segid "    " and resid 34   and name HB% )
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.439 ppm2      7.787 CV     1
 ASSI {  490}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.450 ppm2      8.579 CV     1
 ASSI {  491}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HD22))
      6.000     4.500     0.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.870 ppm2      7.802 CV     1
 ASSI {  492}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HD22))
      6.000     4.500     0.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.709 ppm2      7.800 CV     1
 ASSI {  493}
   (( segid "    " and resid 4    and name HD21))
   (( segid "    " and resid 4    and name HD22))
      6.000     4.500     0.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.053 ppm2      7.802 CV     1
 ASSI {  494}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HD21))
      6.000     4.500     0.000 peak   494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.709 ppm2      7.052 CV     1
 ASSI {  495}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HD21))
      6.000     4.500     0.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.870 ppm2      7.054 CV     1
 ASSI {  496}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HD21))
      6.000     4.500     0.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.449 ppm2      7.054 CV     1
 ASSI {  497}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.875 ppm2      1.450 CV     1
 ASSI {  498}
   (( segid "    " and resid 8    and name HH12))
   (( segid "    " and resid 8    and name HE  ))
      6.000     4.500     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.002 ppm2      7.304 CV     1
 OR {  498}
   (( segid "    " and resid 8    and name HH11))
   (( segid "    " and resid 8    and name HE  ))
 ASSI {  501}
   (( segid "    " and resid 8    and name HH21))
   (( segid "    " and resid 8    and name HE  ))
      6.000     4.500     0.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.566 ppm2      7.304 CV     1
 ASSI {  503}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.400     1.400 peak   503 spectrum    1 weight  0.10000E+01 volume  0.78749E-02 ppm1      4.038 ppm2      8.939 CV     1
 ASSI {  504}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.900     1.900     1.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.35785E-02 ppm1      8.042 ppm2      8.939 CV     1
 ASSI {  505}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.900     1.900     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.31761E-02 ppm1      8.164 ppm2      8.939 CV     1
 ASSI {  506}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600 peak   506 spectrum    1 weight  0.10000E+01 volume  0.55952E-02 ppm1      8.088 ppm2      8.804 CV     1
 ASSI {  507}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak   507 spectrum    1 weight  0.10000E+01 volume  0.35616E-02 ppm1      4.130 ppm2      8.804 CV     1
 ASSI {  510}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.298 ppm2      8.419 CV     1
 ASSI {  513}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   513 spectrum    1 weight  0.10000E+01 volume  0.23399E-02 ppm1      1.297 ppm2      8.170 CV     1
 ASSI {  515}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.900     1.900     1.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.35059E-02 ppm1      1.788 ppm2      8.173 CV     1
 OR {  515}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  518}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak   518 spectrum    1 weight  0.11000E+02 volume  0.12717E-01 ppm1      3.725 ppm2      8.617 CV     1
 ASSI {  519}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak   519 spectrum    1 weight  0.11000E+02 volume  0.13001E-01 ppm1      3.814 ppm2      8.617 CV     1
 ASSI {  520}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      4.100     2.100     1.900 peak   520 spectrum    1 weight  0.10000E+01 volume  0.24877E-02 ppm1      4.043 ppm2      8.388 CV     1
 ASSI {  521}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.800     1.800     1.800 peak   521 spectrum    1 weight  0.10000E+01 volume  0.36461E-02 ppm1      4.128 ppm2      8.389 CV     1
 ASSI {  522}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.130 ppm2      8.417 CV     1
 ASSI {  523}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      4.300     2.300     1.700 peak   523 spectrum    1 weight  0.10000E+01 volume  0.19959E-02 ppm1      4.131 ppm2      8.532 CV     1
 ASSI {  526}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      4.200     2.200     1.800 peak   526 spectrum    1 weight  0.11000E+02 volume  0.20415E-02 ppm1      4.450 ppm2      8.505 CV     1
 ASSI {  527}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.900     1.900     1.900 peak   527 spectrum    1 weight  0.10000E+01 volume  0.34159E-02 ppm1      4.412 ppm2      8.460 CV     1
 ASSI {  528}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      5.100     3.300     0.900 peak   528 spectrum    1 weight  0.11000E+02 volume  0.65690E-03 ppm1      4.451 ppm2      8.460 CV     1
 ASSI {  529}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      4.400     2.400     1.600 peak   529 spectrum    1 weight  0.10000E+01 volume  0.16714E-02 ppm1      4.462 ppm2      8.416 CV     1
 ASSI {  530}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.312 ppm2      8.418 CV     1
 ASSI {  531}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak   531 spectrum    1 weight  0.10000E+01 volume  0.43673E-02 ppm1      4.460 ppm2      8.236 CV     1
 ASSI {  532}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.500     1.600     1.600 peak   532 spectrum    1 weight  0.10000E+01 volume  0.61308E-02 ppm1      4.131 ppm2      8.170 CV     1
 ASSI {  533}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.600     1.600     1.600 peak   533 spectrum    1 weight  0.10000E+01 volume  0.52721E-02 ppm1      4.036 ppm2      8.113 CV     1
 ASSI {  535}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.900     1.900     1.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.35532E-02 ppm1      8.270 ppm2      8.532 CV     1
 ASSI {  536}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak   536 spectrum    1 weight  0.10000E+01 volume  0.15728E-01 ppm1      8.078 ppm2      8.270 CV     1
 ASSI {  537}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.600     1.600 peak   537 spectrum    1 weight  0.10000E+01 volume  0.59847E-02 ppm1      7.935 ppm2      8.130 CV     1
 ASSI {  538}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.600     1.600     1.600 peak   538 spectrum    1 weight  0.10000E+01 volume  0.54713E-02 ppm1      7.852 ppm2      8.007 CV     1
 ASSI {  539}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      3.900     1.900     1.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.31225E-02 ppm1      4.452 ppm2      8.006 CV     1
 ASSI {  540}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.000     1.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.21389E-01 ppm1      4.338 ppm2      7.789 CV     1
 ASSI {  541}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.900     1.900     1.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.34270E-02 ppm1      4.246 ppm2      7.792 CV     1
 ASSI {  546}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 4    and name HB3 ))
      3.600     1.700     1.700 peak   546 spectrum    1 weight  0.11000E+02 volume  0.50197E-02 ppm1      3.724 ppm2      2.873 CV     1
 ASSI {  547}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 4    and name HB3 ))
      4.300     2.300     1.700 peak   547 spectrum    1 weight  0.11000E+02 volume  0.19419E-02 ppm1      3.813 ppm2      2.873 CV     1
 ASSI {  548}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      3.000     1.100     1.100 peak   548 spectrum    1 weight  0.10000E+01 volume  0.16081E-01 ppm1      4.038 ppm2      2.844 CV     1
 ASSI {  549}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.300     1.400     1.400 peak   549 spectrum    1 weight  0.10000E+01 volume  0.84060E-02 ppm1      4.131 ppm2      2.874 CV     1
 ASSI {  554}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.400     1.500     1.500 peak   554 spectrum    1 weight  0.10000E+01 volume  0.74101E-02 ppm1      4.129 ppm2      2.678 CV     1
 ASSI {  555}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.400     1.400     1.400 peak   555 spectrum    1 weight  0.10000E+01 volume  0.78262E-02 ppm1      4.039 ppm2      2.677 CV     1
 ASSI {  556}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.300     1.400     1.400 peak   556 spectrum    1 weight  0.10000E+01 volume  0.90523E-02 ppm1      4.450 ppm2      1.868 CV     1
 OR {  556}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
 ASSI {  557}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.700     0.900     0.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.28114E-01 ppm1      4.211 ppm2      1.786 CV     1
 OR {  557}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI {  558}
   (( segid "    " and resid 22   and name HE2 ))
   (  segid "    " and resid 18   and name HD1%)
      3.300     1.300     1.300 peak   558 spectrum    1 weight  0.11000E+02 volume  0.93755E-02 ppm1      2.959 ppm2      0.929 CV     1
 OR {  558}
   (( segid "    " and resid 22   and name HE3 ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  559}
   (( segid "    " and resid 22   and name HE2 ))
   (  segid "    " and resid 18   and name HD2%)
      3.400     1.400     1.400 peak   559 spectrum    1 weight  0.10000E+01 volume  0.77421E-02 ppm1      2.959 ppm2      0.973 CV     1
 OR {  559}
   (( segid "    " and resid 22   and name HE3 ))
   (  segid "    " and resid 18   and name HD2%)
 ASSI {  560}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
      3.500     1.500     1.500 peak   560 spectrum    1 weight  0.10000E+01 volume  0.66797E-02 ppm1      4.211 ppm2      0.973 CV     1
 ASSI {  561}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      3.500     1.600     1.600 peak   561 spectrum    1 weight  0.10000E+01 volume  0.61175E-02 ppm1      4.208 ppm2      0.933 CV     1
 ASSI {  563}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
      4.400     2.400     1.600 peak   563 spectrum    1 weight  0.10000E+01 volume  0.16804E-02 ppm1      4.135 ppm2      0.973 CV     1
 ASSI {  564}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 25   and name HB% )
      6.000     4.500     0.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.126 ppm2      1.507 CV     1
 ASSI {  565}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 35   and name HB% )
      3.100     1.200     1.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.12629E-01 ppm1      4.246 ppm2      1.382 CV     1
 ASSI {  566}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      3.000     1.100     1.100 peak   566 spectrum    1 weight  0.10000E+01 volume  0.15395E-01 ppm1      4.412 ppm2      1.457 CV     1
 ASSI {  569}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HB% )
      4.100     2.100     1.900 peak   569 spectrum    1 weight  0.10000E+01 volume  0.23323E-02 ppm1      4.711 ppm2      1.437 CV     1
 ASSI {  578}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.500     1.600     1.600 peak   578 spectrum    1 weight  0.10000E+01 volume  0.59227E-02 ppm1      4.140 ppm2      1.789 CV     1
 OR {  578}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  584}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 21   and name HB% )
      3.800     1.800     1.800 peak   584 spectrum    1 weight  0.10000E+01 volume  0.41557E-02 ppm1      0.931 ppm2      1.571 CV     1
 ASSI {  587}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 21   and name HB% )
      3.800     1.800     1.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.42163E-02 ppm1      0.974 ppm2      1.569 CV     1
 ASSI {  589}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.30628E-02 ppm1      4.267 ppm2      8.802 CV     1
 ASSI {  590}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      5.200     3.400     0.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.59405E-03 ppm1      4.415 ppm2      8.504 CV     1
 ASSI {  591}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      4.800     2.900     1.200 peak   591 spectrum    1 weight  0.10000E+01 volume  0.96725E-03 ppm1      1.296 ppm2      8.247 CV     1
 ASSI {  592}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 28   and name HN  ))
      4.200     2.200     1.800 peak   592 spectrum    1 weight  0.10000E+01 volume  0.21349E-02 ppm1      1.298 ppm2      8.115 CV     1
 ASSI {  594}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      4.800     2.800     1.200 peak   594 spectrum    1 weight  0.10000E+01 volume  0.10177E-02 ppm1      1.295 ppm2      8.805 CV     1
 ASSI {  595}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      4.800     2.900     1.200 peak   595 spectrum    1 weight  0.10000E+01 volume  0.98800E-03 ppm1      1.296 ppm2      8.939 CV     1
 ASSI {  596}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.600     2.600     1.400 peak   596 spectrum    1 weight  0.10000E+01 volume  0.13236E-02 ppm1      8.806 ppm2      8.464 CV     1
 ASSI {  597}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.200     2.200     1.800 peak   597 spectrum    1 weight  0.10000E+01 volume  0.22890E-02 ppm1      8.386 ppm2      8.116 CV     1
 ASSI {  600}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.600     2.600     1.400 peak   600 spectrum    1 weight  0.10000E+01 volume  0.12394E-02 ppm1      8.529 ppm2      8.939 CV     1
 ASSI {  601}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.450 ppm2      8.578 CV     1
 ASSI {  604}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 6    and name HD2 ))
      5.100     3.300     0.900 peak   604 spectrum    1 weight  0.11000E+02 volume  0.66842E-03 ppm1      4.710 ppm2      3.726 CV     1
 ASSI {  605}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      4.700     2.700     1.300 peak   605 spectrum    1 weight  0.10000E+01 volume  0.11408E-02 ppm1      4.709 ppm2      1.451 CV     1
 ASSI {  606}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HG2 ))
      4.600     2.700     1.400 peak   606 spectrum    1 weight  0.11000E+02 volume  0.11991E-02 ppm1      4.451 ppm2      1.632 CV     1
 ASSI {  607}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HG3 ))
      4.700     2.800     1.300 peak   607 spectrum    1 weight  0.10000E+01 volume  0.10722E-02 ppm1      4.451 ppm2      1.741 CV     1
 ASSI {  608}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
      4.800     2.900     1.200 peak   608 spectrum    1 weight  0.10000E+01 volume  0.94509E-03 ppm1      2.865 ppm2      8.367 CV     1
 ASSI {  609}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      4.500     2.500     1.500 peak   609 spectrum    1 weight  0.10000E+01 volume  0.14139E-02 ppm1      1.782 ppm2      8.418 CV     1
 OR {  609}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  610}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      4.700     2.800     1.300 peak   610 spectrum    1 weight  0.10000E+01 volume  0.10601E-02 ppm1      2.871 ppm2      8.417 CV     1
 ASSI {  611}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      5.200     3.400     0.800 peak   611 spectrum    1 weight  0.10000E+01 volume  0.57457E-03 ppm1      2.693 ppm2      8.419 CV     1
 ASSI {  612}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.970 ppm2      8.270 CV     1
 ASSI {  613}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   613 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.933 ppm2      8.270 CV     1
 ASSI {  618}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      8.270 CV     1
 ASSI {  620}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.087 ppm2      8.616 CV     1
 ASSI {  621}
   (( segid "    " and resid 22   and name HE2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.963 ppm2      8.272 CV     1
 OR {  621}
   (( segid "    " and resid 22   and name HE3 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  627}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      3.700     1.700     1.700 peak   627 spectrum    1 weight  0.11000E+02 volume  0.48338E-02 ppm1      2.869 ppm2      8.462 CV     1
 ASSI {  629}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.884 ppm2      8.418 CV     1
 ASSI {  630}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.007 ppm2      8.416 CV     1
 ASSI {  633}
   (( segid "    " and resid 22   and name HE2 ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.960 ppm2      1.566 CV     1
 OR {  633}
   (( segid "    " and resid 22   and name HE3 ))
   (  segid "    " and resid 21   and name HB% )
 ASSI {  634}
   (( segid "    " and resid 4    and name HD22))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.797 ppm2      8.575 CV     1
 ASSI {  348}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HB% )
      6.000     4.500     0.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.244 ppm2      1.510 CV     1
 OR {  348}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HB% )
 OR {  348}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HB% )
 ASSI {  502}
   (  segid "    " and resid 28   and name HB% )
   (( segid "    " and resid 27   and name HN  ))
      3.200     1.200     1.200 peak   502 spectrum    1 weight  0.10000E+01 volume  0.11819E-01 ppm1      1.514 ppm2      8.938 CV     1
 OR {  502}
   (  segid "    " and resid 25   and name HB% )
   (( segid "    " and resid 27   and name HN  ))
 OR {  502}
   (  segid "    " and resid 29   and name HB% )
   (( segid "    " and resid 27   and name HN  ))
 OR {  502}
   (  segid "    " and resid 30   and name HB% )
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  508}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.400     1.400 peak   508 spectrum    1 weight  0.10000E+01 volume  0.89461E-02 ppm1      0.930 ppm2      8.089 CV     1
 OR {  508}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  509}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.300     1.300 peak   509 spectrum    1 weight  0.10000E+01 volume  0.94379E-02 ppm1      0.970 ppm2      8.089 CV     1
 OR {  509}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  511}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      4.000     2.000     2.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.29219E-02 ppm1      1.297 ppm2      8.383 CV     1
 OR {  511}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  512}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.561 ppm2      8.531 CV     1
 OR {  512}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  514}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.500     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.883 ppm2      8.338 CV     1
 OR {  514}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 OR {  514}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  534}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.463 ppm2      8.088 CV     1
 OR {  534}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  542}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.400     1.400     1.400 peak   542 spectrum    1 weight  0.10000E+01 volume  0.80033E-02 ppm1      4.228 ppm2      7.819 CV     1
 OR {  542}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  543}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.500     1.500 peak   543 spectrum    1 weight  0.10000E+01 volume  0.67240E-02 ppm1      1.931 ppm2      8.080 CV     1
 OR {  543}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
 OR {  543}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  551}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      4.000     2.000     2.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.28653E-02 ppm1      4.263 ppm2      2.875 CV     1
 OR {  551}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 4    and name HB3 ))
 ASSI {  552}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      3.700     1.700     1.700 peak   552 spectrum    1 weight  0.10000E+01 volume  0.45682E-02 ppm1      4.260 ppm2      2.845 CV     1
 OR {  552}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 27   and name HB3 ))
 ASSI {  553}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.700     1.700     1.700 peak   553 spectrum    1 weight  0.10000E+01 volume  0.43540E-02 ppm1      4.262 ppm2      2.678 CV     1
 OR {  553}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
 OR {  553}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 27   and name HB2 ))
 OR {  553}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  553}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  562}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      4.500     2.500     1.500 peak   562 spectrum    1 weight  0.10000E+01 volume  0.13935E-02 ppm1      4.137 ppm2      0.932 CV     1
 OR {  562}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  567}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 30   and name HB% )
      2.700     0.900     0.900 peak   567 spectrum    1 weight  0.10000E+01 volume  0.33544E-01 ppm1      4.451 ppm2      1.521 CV     1
 OR {  567}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 15   and name HB% )
 ASSI {  568}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
      2.800     1.000     1.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.26369E-01 ppm1      4.464 ppm2      1.543 CV     1
 OR {  568}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 26   and name HB% )
 OR {  568}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 15   and name HB% )
 ASSI {  570}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 17   and name HB% )
      2.900     1.100     1.100 peak   570 spectrum    1 weight  0.10000E+01 volume  0.17963E-01 ppm1      2.682 ppm2      1.531 CV     1
 OR {  570}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 26   and name HB% )
 OR {  570}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 28   and name HB% )
 OR {  570}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 15   and name HB% )
 ASSI {  571}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 15   and name HB% )
      3.200     1.300     1.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.10699E-01 ppm1      2.864 ppm2      1.533 CV     1
 OR {  571}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 17   and name HB% )
 ASSI {  572}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 28   and name HB% )
      3.700     1.700     1.700 peak   572 spectrum    1 weight  0.10000E+01 volume  0.46302E-02 ppm1      2.845 ppm2      1.518 CV     1
 OR {  572}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 30   and name HB% )
 ASSI {  574}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 12   and name HG3 ))
      3.700     1.700     1.700 peak   574 spectrum    1 weight  0.10000E+01 volume  0.48870E-02 ppm1      2.861 ppm2      1.475 CV     1
 OR {  574}
   (( segid "    " and resid 27   and name HB3 ))
   (  segid "    " and resid 31   and name HB% )
 OR {  574}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  574}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 14   and name HB% )
 ASSI {  575}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 25   and name HB% )
      3.600     1.600     1.600 peak   575 spectrum    1 weight  0.10000E+01 volume  0.51658E-02 ppm1      2.683 ppm2      1.478 CV     1
 OR {  575}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 14   and name HB% )
 OR {  575}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 31   and name HB% )
 OR {  575}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 12   and name HG3 ))
 OR {  575}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  577}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
      3.300     1.300     1.300 peak   577 spectrum    1 weight  0.10000E+01 volume  0.95971E-02 ppm1      4.034 ppm2      1.523 CV     1
 OR {  577}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 28   and name HB% )
 ASSI {  585}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 17   and name HB% )
      3.600     1.600     1.600 peak   585 spectrum    1 weight  0.10000E+01 volume  0.57058E-02 ppm1      0.930 ppm2      1.537 CV     1
 OR {  585}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 15   and name HB% )
 OR {  585}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 19   and name HB% )
 ASSI {  586}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 19   and name HB% )
      3.500     1.500     1.500 peak   586 spectrum    1 weight  0.10000E+01 volume  0.62769E-02 ppm1      0.976 ppm2      1.535 CV     1
 OR {  586}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 15   and name HB% )
 OR {  586}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 17   and name HB% )
 ASSI {  588}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.29702E-02 ppm1      4.317 ppm2      8.804 CV     1
 OR {  588}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  593}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      4.300     2.300     1.700 peak   593 spectrum    1 weight  0.10000E+01 volume  0.18149E-02 ppm1      1.298 ppm2      8.091 CV     1
 OR {  593}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  603}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.500     1.500     1.500 peak   603 spectrum    1 weight  0.10000E+01 volume  0.63654E-02 ppm1      4.450 ppm2      8.129 CV     1
 OR {  603}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  616}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.532 ppm2      8.244 CV     1
 OR {  616}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  617}
   (  segid "    " and resid 26   and name HB% )
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.549 ppm2      8.043 CV     1
 OR {  617}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
 OR {  617}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
 OR {  617}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  631}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.010 ppm2      8.338 CV     1
 OR {  631}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  632}
   (  segid "    " and resid 30   and name HB% )
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.520 ppm2      7.934 CV     1
 OR {  632}
   (  segid "    " and resid 29   and name HB% )
   (( segid "    " and resid 32   and name HN  ))
 OR {  632}
   (  segid "    " and resid 28   and name HB% )
   (( segid "    " and resid 32   and name HN  ))

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  17.916  13.433  -1.609
    2   2H    GLY   1          2H        GLY   1  19.446  12.842  -1.176
    3   3H    GLY   1          3H        GLY   1  18.368  13.371   0.023
    4   1HA   GLY   1          2HA       GLY   1  17.708  11.136  -1.791
    5   2HA   GLY   1          1HA       GLY   1  18.596  10.879  -0.297
    6    H    SER   2           H        SER   2  15.713  12.644  -1.419
    7    HA   SER   2           HA       SER   2  14.404  12.701   1.055
    8   1HB   SER   2          1HB       SER   2  12.425  12.634  -0.958
    9   2HB   SER   2          2HB       SER   2  13.141  14.060  -0.205
   10    HG   SER   2           HG       SER   2  14.019  12.715  -2.555
   11    H    MET   3           H        MET   3  13.938  10.498  -1.705
   12    HA   MET   3           HA       MET   3  12.410   8.674  -0.018
   13   1HB   MET   3          1HB       MET   3  13.131   8.549  -2.955
   14   2HB   MET   3          2HB       MET   3  12.134   7.364  -2.123
   15   1HG   MET   3          1HG       MET   3  10.687   9.445  -1.502
   16   2HG   MET   3          2HG       MET   3  11.502  10.174  -2.885
   17   1HE   MET   3          1HE       MET   3   8.278   9.998  -3.264
   18   2HE   MET   3          2HE       MET   3   7.686   8.338  -3.220
   19   3HE   MET   3          3HE       MET   3   8.517   9.013  -1.820
   20    H    ASN   4           H        ASN   4  13.226   6.871   0.856
   21    HA   ASN   4           HA       ASN   4  16.062   6.367   0.588
   22   1HB   ASN   4          1HB       ASN   4  14.421   6.138   2.720
   23   2HB   ASN   4          2HB       ASN   4  14.372   4.485   2.115
   24   1HD2  ASN   4          1HD2      ASN   4  16.312   6.930   3.582
   25   2HD2  ASN   4          2HD2      ASN   4  17.666   5.924   3.959
   26    H    ALA   5           H        ALA   5  16.846   5.109  -0.903
   27    HA   ALA   5           HA       ALA   5  15.182   3.576  -2.625
   28   1HB   ALA   5          1HB       ALA   5  17.580   2.777  -3.423
   29   2HB   ALA   5          2HB       ALA   5  16.937   4.371  -3.819
   30   3HB   ALA   5          3HB       ALA   5  18.077   4.186  -2.486
   31    HA   PRO   6           HA       PRO   6  17.449  -0.289  -0.623
   32   1HB   PRO   6          1HB       PRO   6  17.887   0.829   2.095
   33   2HB   PRO   6          2HB       PRO   6  18.891  -0.283   1.159
   34   1HG   PRO   6          1HG       PRO   6  19.604   2.263   1.455
   35   2HG   PRO   6          2HG       PRO   6  19.850   1.423  -0.089
   36   1HD   PRO   6          1HD       PRO   6  17.746   3.402   0.683
   37   2HD   PRO   6          2HD       PRO   6  18.622   3.224  -0.851
   38    H    ALA   7           H        ALA   7  15.760   1.879   1.640
   39    HA   ALA   7           HA       ALA   7  14.267  -0.122   2.936
   40   1HB   ALA   7          1HB       ALA   7  13.828   1.598   4.263
   41   2HB   ALA   7          2HB       ALA   7  14.538   2.699   3.082
   42   3HB   ALA   7          3HB       ALA   7  12.819   2.312   3.006
   43    H    ARG   8           H        ARG   8  13.637   1.806   0.069
   44    HA   ARG   8           HA       ARG   8  10.911   1.344  -0.248
   45   1HB   ARG   8          1HB       ARG   8  13.132   2.215  -1.934
   46   2HB   ARG   8          2HB       ARG   8  11.875   1.374  -2.829
   47   1HG   ARG   8          1HG       ARG   8  10.271   2.964  -2.321
   48   2HG   ARG   8          2HG       ARG   8  11.180   3.584  -0.941
   49   1HD   ARG   8          1HD       ARG   8  12.540   4.874  -2.235
   50   2HD   ARG   8          2HD       ARG   8  12.464   3.766  -3.604
   51    HE   ARG   8           HE       ARG   8  10.567   5.895  -2.955
   52   1HH1  ARG   8          2HH1      ARG   8  11.450   3.211  -5.036
   53   2HH1  ARG   8          1HH1      ARG   8  10.400   3.707  -6.333
   54   1HH2  ARG   8          2HH2      ARG   8   9.201   6.552  -4.657
   55   2HH2  ARG   8          1HH2      ARG   8   9.116   5.612  -6.117
   56    H    ALA   9           H        ALA   9  13.671  -0.580  -1.370
   57    HA   ALA   9           HA       ALA   9  11.990  -2.521  -2.666
   58   1HB   ALA   9          1HB       ALA   9  14.870  -3.022  -2.040
   59   2HB   ALA   9          2HB       ALA   9  13.928  -3.493  -3.454
   60   3HB   ALA   9          3HB       ALA   9  14.426  -1.815  -3.248
   61    H    ALA  10           H        ALA  10  13.588  -2.208   0.428
   62    HA   ALA  10           HA       ALA  10  13.371  -4.957   1.159
   63   1HB   ALA  10          1HB       ALA  10  13.535  -2.926   3.295
   64   2HB   ALA  10          2HB       ALA  10  14.486  -4.389   3.042
   65   3HB   ALA  10          3HB       ALA  10  14.841  -2.933   2.111
   66    H    ALA  11           H        ALA  11  11.547  -2.039   2.068
   67    HA   ALA  11           HA       ALA  11   9.666  -3.584   3.623
   68   1HB   ALA  11          1HB       ALA  11  10.339  -0.773   3.283
   69   2HB   ALA  11          2HB       ALA  11   8.601  -1.058   3.399
   70   3HB   ALA  11          3HB       ALA  11   9.675  -1.620   4.680
   71    H    LYS  12           H        LYS  12  10.014  -3.137   0.403
   72    HA   LYS  12           HA       LYS  12   7.530  -2.383  -0.582
   73   1HB   LYS  12          1HB       LYS  12   9.884  -3.174  -1.704
   74   2HB   LYS  12          2HB       LYS  12   8.854  -4.550  -2.072
   75   1HG   LYS  12          1HG       LYS  12   7.478  -2.090  -2.630
   76   2HG   LYS  12          2HG       LYS  12   9.032  -2.137  -3.463
   77   1HD   LYS  12          1HD       LYS  12   8.280  -3.639  -4.928
   78   2HD   LYS  12          2HD       LYS  12   7.684  -4.682  -3.634
   79   1HE   LYS  12          2HE       LYS  12   5.697  -3.137  -3.475
   80   2HE   LYS  12          1HE       LYS  12   6.259  -2.392  -4.971
   81   1HZ   LYS  12          1HZ       LYS  12   4.824  -3.959  -5.766
   82   2HZ   LYS  12          2HZ       LYS  12   5.147  -5.073  -4.524
   83   3HZ   LYS  12          3HZ       LYS  12   6.265  -4.852  -5.785
   84    H    THR  13           H        THR  13   8.659  -5.605   0.394
   85    HA   THR  13           HA       THR  13   6.376  -7.018  -0.456
   86    HB   THR  13           HB       THR  13   7.862  -8.005   1.924
   87    HG1  THR  13           1HG      THR  13   9.035  -7.600  -0.661
   88   1HG2  THR  13          1HG2      THR  13   7.100  -9.201  -0.746
   89   2HG2  THR  13          2HG2      THR  13   6.263  -9.447   0.786
   90   3HG2  THR  13          3HG2      THR  13   7.897 -10.071   0.565
   91    H    ALA  14           H        ALA  14   7.136  -5.357   2.559
   92    HA   ALA  14           HA       ALA  14   4.877  -6.277   4.017
   93   1HB   ALA  14          1HB       ALA  14   6.641  -5.413   5.309
   94   2HB   ALA  14          2HB       ALA  14   6.730  -3.934   4.351
   95   3HB   ALA  14          3HB       ALA  14   5.361  -4.206   5.430
   96    H    ALA  15           H        ALA  15   5.533  -3.400   2.064
   97    HA   ALA  15           HA       ALA  15   3.019  -2.160   2.441
   98   1HB   ALA  15          1HB       ALA  15   3.890  -0.532   1.173
   99   2HB   ALA  15          2HB       ALA  15   5.380  -1.473   1.208
  100   3HB   ALA  15          3HB       ALA  15   4.263  -1.644  -0.145
  101    H    ASP  16           H        ASP  16   4.220  -4.564   0.200
  102    HA   ASP  16           HA       ASP  16   2.086  -4.597  -1.628
  103   1HB   ASP  16          1HB       ASP  16   4.385  -6.263  -0.987
  104   2HB   ASP  16          2HB       ASP  16   2.995  -7.229  -1.468
  105    H    ALA  17           H        ALA  17   2.681  -6.534   1.282
  106    HA   ALA  17           HA       ALA  17   0.315  -8.059   1.127
  107   1HB   ALA  17          1HB       ALA  17   1.267  -9.142   2.817
  108   2HB   ALA  17          2HB       ALA  17   2.564  -7.947   2.799
  109   3HB   ALA  17          3HB       ALA  17   1.165  -7.715   3.846
  110    H    LEU  18           H        LEU  18   1.074  -4.993   2.703
  111    HA   LEU  18           HA       LEU  18  -1.422  -4.795   4.067
  112   1HB   LEU  18          1HB       LEU  18   0.995  -3.232   3.817
  113   2HB   LEU  18          2HB       LEU  18  -0.427  -2.209   3.739
  114    HG   LEU  18           HG       LEU  18  -1.104  -3.673   5.873
  115   1HD1  LEU  18          1HD1      LEU  18   1.863  -3.430   6.228
  116   2HD1  LEU  18          2HD1      LEU  18   0.699  -4.332   7.200
  117   3HD1  LEU  18          3HD1      LEU  18   1.129  -4.900   5.586
  118   1HD2  LEU  18          1HD2      LEU  18   0.812  -1.353   6.039
  119   2HD2  LEU  18          2HD2      LEU  18  -0.905  -1.194   5.670
  120   3HD2  LEU  18          3HD2      LEU  18  -0.393  -1.835   7.232
  121    H    ALA  19           H        ALA  19  -0.336  -4.041   0.872
  122    HA   ALA  19           HA       ALA  19  -2.367  -2.183   0.178
  123   1HB   ALA  19          1HB       ALA  19  -1.623  -3.586  -2.139
  124   2HB   ALA  19          2HB       ALA  19  -1.033  -2.019  -1.587
  125   3HB   ALA  19          3HB       ALA  19  -0.182  -3.493  -1.127
  126    H    ALA  20           H        ALA  20  -2.305  -5.611   0.532
  127    HA   ALA  20           HA       ALA  20  -4.560  -6.250  -1.065
  128   1HB   ALA  20          1HB       ALA  20  -3.011  -7.612   1.068
  129   2HB   ALA  20          2HB       ALA  20  -4.627  -8.221   0.713
  130   3HB   ALA  20          3HB       ALA  20  -3.411  -8.153  -0.562
  131    H    ALA  21           H        ALA  21  -4.148  -5.407   2.343
  132    HA   ALA  21           HA       ALA  21  -6.956  -5.621   2.931
  133   1HB   ALA  21          1HB       ALA  21  -4.963  -4.211   4.669
  134   2HB   ALA  21          2HB       ALA  21  -6.397  -5.124   5.133
  135   3HB   ALA  21          3HB       ALA  21  -4.970  -5.970   4.536
  136    H    LYS  22           H        LYS  22  -4.642  -3.030   2.300
  137    HA   LYS  22           HA       LYS  22  -6.319  -0.838   2.793
  138   1HB   LYS  22          1HB       LYS  22  -3.845  -1.307   1.226
  139   2HB   LYS  22          2HB       LYS  22  -4.775   0.127   0.815
  140   1HG   LYS  22          1HG       LYS  22  -4.679   0.835   3.171
  141   2HG   LYS  22          2HG       LYS  22  -3.670  -0.567   3.527
  142   1HD   LYS  22          1HD       LYS  22  -2.446   0.639   1.345
  143   2HD   LYS  22          2HD       LYS  22  -2.948   1.982   2.371
  144   1HE   LYS  22          2HE       LYS  22  -1.917   0.273   4.209
  145   2HE   LYS  22          1HE       LYS  22  -0.898  -0.078   2.813
  146   1HZ   LYS  22          1HZ       LYS  22  -0.035   1.706   4.271
  147   2HZ   LYS  22          2HZ       LYS  22  -1.385   2.651   3.875
  148   3HZ   LYS  22          3HZ       LYS  22  -0.279   2.208   2.669
  149    H    LYS  23           H        LYS  23  -5.978  -2.927   0.009
  150    HA   LYS  23           HA       LYS  23  -7.501  -1.553  -1.864
  151   1HB   LYS  23          1HB       LYS  23  -6.294  -3.532  -2.506
  152   2HB   LYS  23          2HB       LYS  23  -7.192  -4.518  -1.364
  153   1HG   LYS  23          1HG       LYS  23  -8.952  -3.203  -3.248
  154   2HG   LYS  23          2HG       LYS  23  -7.734  -4.186  -4.062
  155   1HD   LYS  23          1HD       LYS  23  -9.452  -5.188  -1.791
  156   2HD   LYS  23          2HD       LYS  23  -9.866  -5.394  -3.494
  157   1HE   LYS  23          2HE       LYS  23  -8.595  -7.216  -3.570
  158   2HE   LYS  23          1HE       LYS  23  -7.187  -6.237  -3.163
  159   1HZ   LYS  23          1HZ       LYS  23  -9.016  -7.612  -1.263
  160   2HZ   LYS  23          2HZ       LYS  23  -7.789  -6.536  -0.793
  161   3HZ   LYS  23          3HZ       LYS  23  -7.388  -7.985  -1.573
  162    H    THR  24           H        THR  24  -8.576  -3.933   0.569
  163    HA   THR  24           HA       THR  24 -11.318  -3.774  -0.090
  164    HB   THR  24           HB       THR  24 -10.857  -4.478   2.683
  165    HG1  THR  24           1HG      THR  24  -9.208  -5.839   2.478
  166   1HG2  THR  24          1HG2      THR  24 -12.479  -5.253   0.570
  167   2HG2  THR  24          2HG2      THR  24 -12.393  -6.025   2.154
  168   3HG2  THR  24          3HG2      THR  24 -11.419  -6.641   0.820
  169    H    ALA  25           H        ALA  25  -9.287  -1.978   2.140
  170    HA   ALA  25           HA       ALA  25 -11.302  -0.643   3.579
  171   1HB   ALA  25          1HB       ALA  25  -8.479   0.154   2.893
  172   2HB   ALA  25          2HB       ALA  25  -9.519   1.097   3.960
  173   3HB   ALA  25          3HB       ALA  25  -9.069  -0.552   4.396
  174    H    ALA  26           H        ALA  26  -9.574   0.241   0.605
  175    HA   ALA  26           HA       ALA  26 -11.056   2.645   0.181
  176   1HB   ALA  26          1HB       ALA  26 -10.029   2.587  -2.080
  177   2HB   ALA  26          2HB       ALA  26  -8.851   2.406  -0.780
  178   3HB   ALA  26          3HB       ALA  26  -9.371   0.996  -1.702
  179    H    ASP  27           H        ASP  27 -11.332  -0.686  -0.893
  180    HA   ASP  27           HA       ASP  27 -13.266  -0.383  -2.883
  181   1HB   ASP  27          1HB       ASP  27 -12.089  -2.469  -2.630
  182   2HB   ASP  27          2HB       ASP  27 -12.738  -2.696  -1.011
  183    H    ALA  28           H        ALA  28 -13.633  -0.833   0.604
  184    HA   ALA  28           HA       ALA  28 -16.392  -1.155   0.740
  185   1HB   ALA  28          1HB       ALA  28 -16.224  -0.601   3.035
  186   2HB   ALA  28          2HB       ALA  28 -14.704  -1.387   2.606
  187   3HB   ALA  28          3HB       ALA  28 -14.774   0.369   2.767
  188    H    ALA  29           H        ALA  29 -14.480   1.768   0.385
  189    HA   ALA  29           HA       ALA  29 -16.766   3.502   0.651
  190   1HB   ALA  29          1HB       ALA  29 -13.868   3.833   0.327
  191   2HB   ALA  29          2HB       ALA  29 -14.850   5.070  -0.457
  192   3HB   ALA  29          3HB       ALA  29 -15.022   4.776   1.272
  193    H    ALA  30           H        ALA  30 -14.670   2.388  -1.986
  194    HA   ALA  30           HA       ALA  30 -15.842   3.929  -4.025
  195   1HB   ALA  30          1HB       ALA  30 -13.865   3.162  -4.781
  196   2HB   ALA  30          2HB       ALA  30 -13.978   1.658  -3.865
  197   3HB   ALA  30          3HB       ALA  30 -14.846   1.827  -5.389
  198    H    ALA  31           H        ALA  31 -16.436   0.556  -3.046
  199    HA   ALA  31           HA       ALA  31 -18.363   0.071  -5.090
  200   1HB   ALA  31          1HB       ALA  31 -16.998  -1.469  -3.195
  201   2HB   ALA  31          2HB       ALA  31 -18.711  -1.667  -2.828
  202   3HB   ALA  31          3HB       ALA  31 -18.108  -2.037  -4.442
  203    H    ALA  32           H        ALA  32 -18.510   1.641  -2.054
  204    HA   ALA  32           HA       ALA  32 -21.357   1.296  -1.695
  205   1HB   ALA  32          1HB       ALA  32 -21.134   2.540   0.267
  206   2HB   ALA  32          2HB       ALA  32 -19.594   1.688   0.147
  207   3HB   ALA  32          3HB       ALA  32 -19.701   3.387  -0.317
  208    H    ALA  33           H        ALA  33 -19.304   3.288  -3.507
  209    HA   ALA  33           HA       ALA  33 -21.342   5.367  -3.831
  210   1HB   ALA  33          1HB       ALA  33 -19.583   6.619  -5.013
  211   2HB   ALA  33          2HB       ALA  33 -19.100   6.175  -3.375
  212   3HB   ALA  33          3HB       ALA  33 -18.471   5.274  -4.755
  213    H    ALA  34           H        ALA  34 -19.187   3.357  -5.841
  214    HA   ALA  34           HA       ALA  34 -20.867   3.823  -8.164
  215   1HB   ALA  34          1HB       ALA  34 -18.159   3.326  -7.809
  216   2HB   ALA  34          2HB       ALA  34 -18.787   1.842  -8.527
  217   3HB   ALA  34          3HB       ALA  34 -19.029   3.388  -9.342
  218    H    ALA  35           H        ALA  35 -22.721   2.780  -7.097
  219    HA   ALA  35           HA       ALA  35 -22.722  -0.097  -7.651
  220   1HB   ALA  35          1HB       ALA  35 -22.824  -0.506  -5.451
  221   2HB   ALA  35          2HB       ALA  35 -23.151   1.184  -5.063
  222   3HB   ALA  35          3HB       ALA  35 -24.472   0.115  -5.540
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  22.841  -0.321 -14.223
    2   2H    GLY   1          2H        GLY   1  22.207  -1.677 -13.430
    3   3H    GLY   1          3H        GLY   1  23.622  -0.950 -12.860
    4   1HA   GLY   1          2HA       GLY   1  22.086   1.146 -12.685
    5   2HA   GLY   1          1HA       GLY   1  20.844  -0.094 -12.572
    6    H    SER   2           H        SER   2  20.950   1.353 -10.416
    7    HA   SER   2           HA       SER   2  22.857   0.406  -8.492
    8   1HB   SER   2          1HB       SER   2  20.615   1.596  -7.209
    9   2HB   SER   2          2HB       SER   2  22.210   2.300  -7.482
   10    HG   SER   2           HG       SER   2  20.561   3.569  -8.413
   11    H    MET   3           H        MET   3  22.341  -0.830  -6.604
   12    HA   MET   3           HA       MET   3  20.261  -2.833  -7.141
   13   1HB   MET   3          1HB       MET   3  22.852  -3.215  -6.527
   14   2HB   MET   3          2HB       MET   3  22.178  -3.193  -4.903
   15   1HG   MET   3          1HG       MET   3  21.731  -5.342  -5.180
   16   2HG   MET   3          2HG       MET   3  20.469  -4.850  -6.309
   17   1HE   MET   3          1HE       MET   3  20.166  -6.436  -7.641
   18   2HE   MET   3          2HE       MET   3  20.860  -6.035  -9.212
   19   3HE   MET   3          3HE       MET   3  21.311  -7.539  -8.402
   20    H    ASN   4           H        ASN   4  19.810  -0.120  -5.992
   21    HA   ASN   4           HA       ASN   4  19.201  -0.482  -3.223
   22   1HB   ASN   4          1HB       ASN   4  19.676   1.711  -4.721
   23   2HB   ASN   4          2HB       ASN   4  17.916   1.736  -4.681
   24   1HD2  ASN   4          1HD2      ASN   4  18.807   3.818  -3.574
   25   2HD2  ASN   4          2HD2      ASN   4  18.856   3.734  -1.841
   26    H    ALA   5           H        ALA   5  17.279  -0.081  -6.127
   27    HA   ALA   5           HA       ALA   5  14.770  -0.516  -4.933
   28   1HB   ALA   5          1HB       ALA   5  14.518   0.450  -6.977
   29   2HB   ALA   5          2HB       ALA   5  15.782  -0.525  -7.724
   30   3HB   ALA   5          3HB       ALA   5  14.195  -1.228  -7.410
   31    HA   PRO   6           HA       PRO   6  15.376  -5.234  -6.395
   32   1HB   PRO   6          1HB       PRO   6  18.336  -5.216  -5.990
   33   2HB   PRO   6          2HB       PRO   6  17.360  -6.171  -7.115
   34   1HG   PRO   6          1HG       PRO   6  18.743  -4.088  -7.991
   35   2HG   PRO   6          2HG       PRO   6  17.105  -4.395  -8.596
   36   1HD   PRO   6          1HD       PRO   6  18.048  -2.363  -6.625
   37   2HD   PRO   6          2HD       PRO   6  16.788  -2.233  -7.868
   38    H    ALA   7           H        ALA   7  17.375  -3.527  -4.027
   39    HA   ALA   7           HA       ALA   7  17.312  -5.662  -2.111
   40   1HB   ALA   7          1HB       ALA   7  18.350  -2.895  -2.198
   41   2HB   ALA   7          2HB       ALA   7  17.959  -3.544  -0.605
   42   3HB   ALA   7          3HB       ALA   7  19.119  -4.380  -1.639
   43    H    ARG   8           H        ARG   8  15.440  -2.770  -2.749
   44    HA   ARG   8           HA       ARG   8  13.960  -2.849  -0.303
   45   1HB   ARG   8          1HB       ARG   8  14.278  -1.056  -2.468
   46   2HB   ARG   8          2HB       ARG   8  12.564  -1.436  -2.374
   47   1HG   ARG   8          1HG       ARG   8  12.859   0.457  -1.028
   48   2HG   ARG   8          2HG       ARG   8  12.730  -0.896   0.098
   49   1HD   ARG   8          1HD       ARG   8  14.560   0.139   0.973
   50   2HD   ARG   8          2HD       ARG   8  15.353  -0.922  -0.191
   51    HE   ARG   8           HE       ARG   8  15.200   1.149  -1.710
   52   1HH1  ARG   8          2HH1      ARG   8  15.699   1.229   1.759
   53   2HH1  ARG   8          1HH1      ARG   8  16.530   2.756   1.724
   54   1HH2  ARG   8          2HH2      ARG   8  16.287   3.127  -1.760
   55   2HH2  ARG   8          1HH2      ARG   8  16.889   3.827  -0.285
   56    H    ALA   9           H        ALA   9  13.782  -4.580  -3.212
   57    HA   ALA   9           HA       ALA   9  11.053  -5.006  -3.565
   58   1HB   ALA   9          1HB       ALA   9  13.255  -7.006  -4.061
   59   2HB   ALA   9          2HB       ALA   9  11.654  -6.990  -4.801
   60   3HB   ALA   9          3HB       ALA   9  12.805  -5.702  -5.162
   61    H    ALA  10           H        ALA  10  13.258  -6.391  -1.232
   62    HA   ALA  10           HA       ALA  10  11.644  -8.555  -0.386
   63   1HB   ALA  10          1HB       ALA  10  13.676  -8.892   0.506
   64   2HB   ALA  10          2HB       ALA  10  14.043  -7.170   0.584
   65   3HB   ALA  10          3HB       ALA  10  13.060  -7.920   1.842
   66    H    ALA  11           H        ALA  11  11.894  -5.195   0.667
   67    HA   ALA  11           HA       ALA  11  10.009  -5.509   2.810
   68   1HB   ALA  11          1HB       ALA  11  10.184  -2.800   2.289
   69   2HB   ALA  11          2HB       ALA  11  11.159  -3.708   3.445
   70   3HB   ALA  11          3HB       ALA  11  11.764  -3.423   1.814
   71    H    LYS  12           H        LYS  12   9.886  -4.790  -0.554
   72    HA   LYS  12           HA       LYS  12   7.474  -3.426  -0.776
   73   1HB   LYS  12          1HB       LYS  12   9.296  -4.373  -2.553
   74   2HB   LYS  12          2HB       LYS  12   7.982  -5.513  -2.807
   75   1HG   LYS  12          1HG       LYS  12   6.990  -2.813  -2.717
   76   2HG   LYS  12          2HG       LYS  12   8.265  -2.983  -3.925
   77   1HD   LYS  12          1HD       LYS  12   6.981  -4.241  -5.267
   78   2HD   LYS  12          2HD       LYS  12   6.341  -5.184  -3.920
   79   1HE   LYS  12          2HE       LYS  12   4.943  -3.124  -3.362
   80   2HE   LYS  12          1HE       LYS  12   5.396  -2.532  -4.959
   81   1HZ   LYS  12          1HZ       LYS  12   4.031  -5.125  -4.456
   82   2HZ   LYS  12          2HZ       LYS  12   4.359  -4.429  -5.967
   83   3HZ   LYS  12          3HZ       LYS  12   3.243  -3.700  -4.923
   84    H    THR  13           H        THR  13   8.123  -6.882  -0.485
   85    HA   THR  13           HA       THR  13   5.537  -7.858  -0.870
   86    HB   THR  13           HB       THR  13   7.028  -9.315   1.164
   87    HG1  THR  13           1HG      THR  13   8.943  -8.783   0.381
   88   1HG2  THR  13          1HG2      THR  13   6.528 -10.151  -1.680
   89   2HG2  THR  13          2HG2      THR  13   5.224 -10.101  -0.492
   90   3HG2  THR  13          3HG2      THR  13   6.617 -11.152  -0.226
   91    H    ALA  14           H        ALA  14   7.119  -6.631   2.046
   92    HA   ALA  14           HA       ALA  14   5.040  -7.431   3.828
   93   1HB   ALA  14          1HB       ALA  14   7.616  -6.199   4.031
   94   2HB   ALA  14          2HB       ALA  14   6.444  -5.280   4.974
   95   3HB   ALA  14          3HB       ALA  14   6.665  -7.001   5.279
   96    H    ALA  15           H        ALA  15   5.832  -4.456   2.105
   97    HA   ALA  15           HA       ALA  15   3.725  -2.937   3.327
   98   1HB   ALA  15          1HB       ALA  15   6.012  -2.316   1.907
   99   2HB   ALA  15          2HB       ALA  15   4.704  -1.887   0.804
  100   3HB   ALA  15          3HB       ALA  15   4.761  -1.183   2.420
  101    H    ASP  16           H        ASP  16   4.064  -4.943   0.504
  102    HA   ASP  16           HA       ASP  16   1.896  -4.030  -1.017
  103   1HB   ASP  16          1HB       ASP  16   3.770  -5.960  -1.371
  104   2HB   ASP  16          2HB       ASP  16   2.357  -6.950  -1.028
  105    H    ALA  17           H        ALA  17   2.057  -6.436   1.562
  106    HA   ALA  17           HA       ALA  17  -0.630  -7.256   1.490
  107   1HB   ALA  17          1HB       ALA  17   1.628  -7.497   3.340
  108   2HB   ALA  17          2HB       ALA  17   0.043  -7.540   4.114
  109   3HB   ALA  17          3HB       ALA  17   0.436  -8.695   2.842
  110    H    LEU  18           H        LEU  18   0.992  -4.579   3.084
  111    HA   LEU  18           HA       LEU  18  -1.244  -3.706   4.608
  112   1HB   LEU  18          1HB       LEU  18   1.043  -3.060   5.173
  113   2HB   LEU  18          2HB       LEU  18   1.196  -2.199   3.653
  114    HG   LEU  18           HG       LEU  18  -0.948  -0.919   4.674
  115   1HD1  LEU  18          1HD1      LEU  18  -0.607  -0.532   7.048
  116   2HD1  LEU  18          2HD1      LEU  18  -0.920  -2.238   6.734
  117   3HD1  LEU  18          3HD1      LEU  18   0.725  -1.688   7.060
  118   1HD2  LEU  18          1HD2      LEU  18   0.435   0.860   4.732
  119   2HD2  LEU  18          2HD2      LEU  18   1.627   0.041   5.739
  120   3HD2  LEU  18          3HD2      LEU  18   1.578  -0.267   4.003
  121    H    ALA  19           H        ALA  19   0.068  -2.832   1.445
  122    HA   ALA  19           HA       ALA  19  -1.798  -0.789   0.853
  123   1HB   ALA  19          1HB       ALA  19   0.478  -1.647  -0.320
  124   2HB   ALA  19          2HB       ALA  19  -0.722  -2.332  -1.414
  125   3HB   ALA  19          3HB       ALA  19  -0.698  -0.596  -1.108
  126    H    ALA  20           H        ALA  20  -1.771  -4.269   0.254
  127    HA   ALA  20           HA       ALA  20  -4.086  -4.452  -1.307
  128   1HB   ALA  20          1HB       ALA  20  -3.596  -6.608   0.656
  129   2HB   ALA  20          2HB       ALA  20  -3.862  -6.696  -1.083
  130   3HB   ALA  20          3HB       ALA  20  -2.279  -6.237  -0.457
  131    H    ALA  21           H        ALA  21  -3.661  -4.475   2.210
  132    HA   ALA  21           HA       ALA  21  -6.354  -4.886   2.908
  133   1HB   ALA  21          1HB       ALA  21  -5.698  -3.860   5.095
  134   2HB   ALA  21          2HB       ALA  21  -4.663  -5.185   4.563
  135   3HB   ALA  21          3HB       ALA  21  -4.117  -3.514   4.394
  136    H    LYS  22           H        LYS  22  -4.575  -1.996   2.040
  137    HA   LYS  22           HA       LYS  22  -6.642  -0.154   2.759
  138   1HB   LYS  22          1HB       LYS  22  -3.987  -0.045   1.565
  139   2HB   LYS  22          2HB       LYS  22  -5.103   1.085   0.809
  140   1HG   LYS  22          1HG       LYS  22  -4.835   2.482   2.501
  141   2HG   LYS  22          2HG       LYS  22  -5.451   1.264   3.618
  142   1HD   LYS  22          1HD       LYS  22  -2.754   0.623   2.895
  143   2HD   LYS  22          2HD       LYS  22  -2.834   2.299   3.442
  144   1HE   LYS  22          2HE       LYS  22  -4.385   0.462   5.096
  145   2HE   LYS  22          1HE       LYS  22  -2.664   0.084   5.057
  146   1HZ   LYS  22          1HZ       LYS  22  -2.139   2.276   5.806
  147   2HZ   LYS  22          2HZ       LYS  22  -3.318   1.645   6.853
  148   3HZ   LYS  22          3HZ       LYS  22  -3.754   2.781   5.667
  149    H    LYS  23           H        LYS  23  -5.774  -1.972  -0.086
  150    HA   LYS  23           HA       LYS  23  -7.383  -0.724  -2.011
  151   1HB   LYS  23          1HB       LYS  23  -6.074  -3.340  -1.662
  152   2HB   LYS  23          2HB       LYS  23  -7.491  -3.368  -2.702
  153   1HG   LYS  23          1HG       LYS  23  -6.154  -1.198  -3.638
  154   2HG   LYS  23          2HG       LYS  23  -4.844  -2.281  -3.163
  155   1HD   LYS  23          1HD       LYS  23  -7.172  -3.088  -4.895
  156   2HD   LYS  23          2HD       LYS  23  -5.602  -2.589  -5.517
  157   1HE   LYS  23          2HE       LYS  23  -4.917  -4.695  -5.332
  158   2HE   LYS  23          1HE       LYS  23  -5.073  -4.545  -3.582
  159   1HZ   LYS  23          1HZ       LYS  23  -7.554  -5.081  -4.088
  160   2HZ   LYS  23          2HZ       LYS  23  -6.415  -6.335  -4.018
  161   3HZ   LYS  23          3HZ       LYS  23  -6.934  -5.742  -5.522
  162    H    THR  24           H        THR  24  -8.017  -3.575  -0.028
  163    HA   THR  24           HA       THR  24 -10.715  -3.896  -0.741
  164    HB   THR  24           HB       THR  24 -10.173  -4.750   1.985
  165    HG1  THR  24           1HG      THR  24  -8.399  -6.017   1.566
  166   1HG2  THR  24          1HG2      THR  24 -11.178  -5.806  -0.566
  167   2HG2  THR  24          2HG2      THR  24 -11.734  -6.101   1.082
  168   3HG2  THR  24          3HG2      THR  24 -10.346  -6.985   0.447
  169    H    ALA  25           H        ALA  25  -9.192  -1.916   1.730
  170    HA   ALA  25           HA       ALA  25 -11.527  -1.196   3.143
  171   1HB   ALA  25          1HB       ALA  25  -8.866   0.164   2.800
  172   2HB   ALA  25          2HB       ALA  25 -10.154   0.837   3.799
  173   3HB   ALA  25          3HB       ALA  25  -9.465  -0.737   4.194
  174    H    ALA  26           H        ALA  26  -9.852   0.282   0.399
  175    HA   ALA  26           HA       ALA  26 -11.672   2.433   0.059
  176   1HB   ALA  26          1HB       ALA  26 -10.534   1.814  -2.438
  177   2HB   ALA  26          2HB       ALA  26 -10.031   3.064  -1.299
  178   3HB   ALA  26          3HB       ALA  26  -9.309   1.453  -1.221
  179    H    ASP  27           H        ASP  27 -11.425  -0.799  -1.288
  180    HA   ASP  27           HA       ASP  27 -13.462  -0.606  -3.213
  181   1HB   ASP  27          1HB       ASP  27 -11.708  -2.433  -2.946
  182   2HB   ASP  27          2HB       ASP  27 -12.738  -3.109  -1.689
  183    H    ALA  28           H        ALA  28 -13.548  -1.706   0.172
  184    HA   ALA  28           HA       ALA  28 -16.275  -2.397   0.221
  185   1HB   ALA  28          1HB       ALA  28 -15.216  -3.259   2.037
  186   2HB   ALA  28          2HB       ALA  28 -14.198  -1.835   2.261
  187   3HB   ALA  28          3HB       ALA  28 -15.883  -1.804   2.779
  188    H    ALA  29           H        ALA  29 -14.618   0.645   0.942
  189    HA   ALA  29           HA       ALA  29 -16.887   2.084   1.810
  190   1HB   ALA  29          1HB       ALA  29 -14.695   2.921   2.294
  191   2HB   ALA  29          2HB       ALA  29 -14.303   3.032   0.575
  192   3HB   ALA  29          3HB       ALA  29 -15.522   4.099   1.274
  193    H    ALA  30           H        ALA  30 -15.463   1.553  -1.361
  194    HA   ALA  30           HA       ALA  30 -17.233   3.298  -2.766
  195   1HB   ALA  30          1HB       ALA  30 -16.379   1.608  -4.688
  196   2HB   ALA  30          2HB       ALA  30 -15.448   2.987  -4.104
  197   3HB   ALA  30          3HB       ALA  30 -15.123   1.370  -3.474
  198    H    ALA  31           H        ALA  31 -17.209  -0.154  -2.035
  199    HA   ALA  31           HA       ALA  31 -19.458  -0.868  -3.581
  200   1HB   ALA  31          1HB       ALA  31 -18.896  -2.897  -2.865
  201   2HB   ALA  31          2HB       ALA  31 -17.687  -2.165  -1.809
  202   3HB   ALA  31          3HB       ALA  31 -19.318  -2.465  -1.209
  203    H    ALA  32           H        ALA  32 -19.118   0.299  -0.268
  204    HA   ALA  32           HA       ALA  32 -22.020   0.380   0.051
  205   1HB   ALA  32          1HB       ALA  32 -21.115  -0.373   2.028
  206   2HB   ALA  32          2HB       ALA  32 -19.690   0.656   1.895
  207   3HB   ALA  32          3HB       ALA  32 -21.243   1.354   2.356
  208    H    ALA  33           H        ALA  33 -21.212   1.992  -1.962
  209    HA   ALA  33           HA       ALA  33 -20.532   4.633  -1.306
  210   1HB   ALA  33          1HB       ALA  33 -21.019   5.175  -3.516
  211   2HB   ALA  33          2HB       ALA  33 -20.597   3.463  -3.606
  212   3HB   ALA  33          3HB       ALA  33 -22.290   3.957  -3.634
  213    H    ALA  34           H        ALA  34 -23.644   2.996  -1.564
  214    HA   ALA  34           HA       ALA  34 -24.882   5.325  -0.255
  215   1HB   ALA  34          1HB       ALA  34 -26.898   5.008  -1.572
  216   2HB   ALA  34          2HB       ALA  34 -25.516   5.265  -2.635
  217   3HB   ALA  34          3HB       ALA  34 -26.165   3.639  -2.409
  218    H    ALA  35           H        ALA  35 -23.815   3.184   1.094
  219    HA   ALA  35           HA       ALA  35 -26.199   2.030   2.316
  220   1HB   ALA  35          1HB       ALA  35 -25.773   0.128   1.137
  221   2HB   ALA  35          2HB       ALA  35 -24.057   0.498   0.950
  222   3HB   ALA  35          3HB       ALA  35 -24.663  -0.138   2.483
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  14.414  -0.143   4.922
    2   2H    GLY   1          2H        GLY   1  13.656  -0.717   3.519
    3   3H    GLY   1          3H        GLY   1  13.701  -1.683   4.906
    4   1HA   GLY   1          2HA       GLY   1  11.521  -0.758   4.680
    5   2HA   GLY   1          1HA       GLY   1  12.323  -0.063   6.083
    6    H    SER   2           H        SER   2  13.987   1.796   4.886
    7    HA   SER   2           HA       SER   2  12.234   3.966   4.597
    8   1HB   SER   2          1HB       SER   2  14.990   4.233   3.543
    9   2HB   SER   2          2HB       SER   2  14.122   5.237   4.707
   10    HG   SER   2           HG       SER   2  15.048   4.167   6.241
   11    H    MET   3           H        MET   3  12.326   5.532   2.766
   12    HA   MET   3           HA       MET   3  11.488   4.214   0.365
   13   1HB   MET   3          1HB       MET   3  11.521   6.984   1.410
   14   2HB   MET   3          2HB       MET   3  11.514   6.810  -0.339
   15   1HG   MET   3          1HG       MET   3   9.556   5.113   0.223
   16   2HG   MET   3          2HG       MET   3   9.423   6.141   1.647
   17   1HE   MET   3          1HE       MET   3   8.816   9.637   0.171
   18   2HE   MET   3          2HE       MET   3   8.099   8.674   1.461
   19   3HE   MET   3          3HE       MET   3   9.854   8.742   1.279
   20    H    ASN   4           H        ASN   4  13.967   3.384   0.541
   21    HA   ASN   4           HA       ASN   4  15.389   4.901  -1.551
   22   1HB   ASN   4          1HB       ASN   4  16.462   4.361   0.850
   23   2HB   ASN   4          2HB       ASN   4  16.847   2.845   0.041
   24   1HD2  ASN   4          1HD2      ASN   4  18.718   4.767   0.979
   25   2HD2  ASN   4          2HD2      ASN   4  19.596   5.352  -0.394
   26    H    ALA   5           H        ALA   5  16.592   3.463  -3.095
   27    HA   ALA   5           HA       ALA   5  14.752   1.672  -4.232
   28   1HB   ALA   5          1HB       ALA   5  16.974   2.976  -5.137
   29   2HB   ALA   5          2HB       ALA   5  17.497   1.291  -5.146
   30   3HB   ALA   5          3HB       ALA   5  16.055   1.770  -6.038
   31    HA   PRO   6           HA       PRO   6  17.449  -2.037  -2.844
   32   1HB   PRO   6          1HB       PRO   6  19.476  -1.046  -0.981
   33   2HB   PRO   6          2HB       PRO   6  19.679  -2.021  -2.437
   34   1HG   PRO   6          1HG       PRO   6  20.497   0.542  -2.312
   35   2HG   PRO   6          2HG       PRO   6  19.872  -0.181  -3.808
   36   1HD   PRO   6          1HD       PRO   6  18.463   1.588  -1.830
   37   2HD   PRO   6          2HD       PRO   6  18.457   1.661  -3.606
   38    H    ALA   7           H        ALA   7  16.432   0.461  -0.783
   39    HA   ALA   7           HA       ALA   7  16.339  -1.175   1.617
   40   1HB   ALA   7          1HB       ALA   7  15.746   0.755   2.787
   41   2HB   ALA   7          2HB       ALA   7  16.868   1.331   1.553
   42   3HB   ALA   7          3HB       ALA   7  15.132   1.554   1.340
   43    H    ARG   8           H        ARG   8  14.356  -0.475  -1.054
   44    HA   ARG   8           HA       ARG   8  11.898  -1.140   0.366
   45   1HB   ARG   8          1HB       ARG   8  12.566   0.045  -2.266
   46   2HB   ARG   8          2HB       ARG   8  11.118  -0.952  -2.211
   47   1HG   ARG   8          1HG       ARG   8  11.651   1.361  -0.358
   48   2HG   ARG   8          2HG       ARG   8  10.710   1.466  -1.848
   49   1HD   ARG   8          1HD       ARG   8   8.900   0.582  -0.878
   50   2HD   ARG   8          2HD       ARG   8   9.836  -0.726  -0.158
   51    HE   ARG   8           HE       ARG   8  10.455   1.023   1.584
   52   1HH1  ARG   8          2HH1      ARG   8   7.402   1.013  -0.134
   53   2HH1  ARG   8          1HH1      ARG   8   6.545   1.848   1.135
   54   1HH2  ARG   8          2HH2      ARG   8   9.331   2.097   3.260
   55   2HH2  ARG   8          1HH2      ARG   8   7.644   2.464   3.059
   56    H    ALA   9           H        ALA   9  14.391  -2.846  -0.785
   57    HA   ALA   9           HA       ALA   9  13.232  -4.796  -2.460
   58   1HB   ALA   9          1HB       ALA   9  15.329  -5.498  -2.625
   59   2HB   ALA   9          2HB       ALA   9  15.777  -4.228  -1.487
   60   3HB   ALA   9          3HB       ALA   9  15.410  -5.849  -0.897
   61    H    ALA  10           H        ALA  10  14.119  -5.012   1.000
   62    HA   ALA  10           HA       ALA  10  12.494  -7.415   1.263
   63   1HB   ALA  10          1HB       ALA  10  13.730  -6.157   3.642
   64   2HB   ALA  10          2HB       ALA  10  13.642  -7.855   3.169
   65   3HB   ALA  10          3HB       ALA  10  14.814  -6.785   2.400
   66    H    ALA  11           H        ALA  11  11.896  -4.188   1.319
   67    HA   ALA  11           HA       ALA  11   9.986  -4.234   3.519
   68   1HB   ALA  11          1HB       ALA  11  11.503  -2.205   2.158
   69   2HB   ALA  11          2HB       ALA  11   9.794  -1.779   2.208
   70   3HB   ALA  11          3HB       ALA  11  10.659  -2.127   3.704
   71    H    LYS  12           H        LYS  12  10.051  -4.631   0.119
   72    HA   LYS  12           HA       LYS  12   7.559  -3.582  -0.608
   73   1HB   LYS  12          1HB       LYS  12   8.141  -4.273  -2.660
   74   2HB   LYS  12          2HB       LYS  12   9.647  -4.807  -1.930
   75   1HG   LYS  12          1HG       LYS  12   7.613  -6.819  -1.615
   76   2HG   LYS  12          2HG       LYS  12   7.770  -6.355  -3.310
   77   1HD   LYS  12          1HD       LYS  12   9.978  -7.037  -3.423
   78   2HD   LYS  12          2HD       LYS  12  10.215  -6.907  -1.679
   79   1HE   LYS  12          2HE       LYS  12   9.617  -9.029  -1.360
   80   2HE   LYS  12          1HE       LYS  12   8.163  -8.837  -2.338
   81   1HZ   LYS  12          1HZ       LYS  12   9.711  -9.020  -4.315
   82   2HZ   LYS  12          2HZ       LYS  12   9.433 -10.439  -3.432
   83   3HZ   LYS  12          3HZ       LYS  12  10.881  -9.584  -3.223
   84    H    THR  13           H        THR  13   8.412  -6.632   0.870
   85    HA   THR  13           HA       THR  13   6.089  -8.087   0.374
   86    HB   THR  13           HB       THR  13   7.159  -8.536   3.043
   87    HG1  THR  13           1HG      THR  13   9.284  -8.861   2.472
   88   1HG2  THR  13          1HG2      THR  13   6.323 -10.000   0.713
   89   2HG2  THR  13          2HG2      THR  13   6.516 -10.563   2.373
   90   3HG2  THR  13          3HG2      THR  13   7.891 -10.588   1.269
   91    H    ALA  14           H        ALA  14   6.888  -5.961   3.113
   92    HA   ALA  14           HA       ALA  14   4.338  -6.244   4.363
   93   1HB   ALA  14          1HB       ALA  14   5.106  -4.348   5.778
   94   2HB   ALA  14          2HB       ALA  14   6.247  -5.692   5.714
   95   3HB   ALA  14          3HB       ALA  14   6.548  -4.232   4.768
   96    H    ALA  15           H        ALA  15   5.797  -3.886   2.180
   97    HA   ALA  15           HA       ALA  15   3.780  -1.927   2.342
   98   1HB   ALA  15          1HB       ALA  15   4.880  -1.850  -0.255
   99   2HB   ALA  15          2HB       ALA  15   5.302  -0.853   1.137
  100   3HB   ALA  15          3HB       ALA  15   6.168  -2.360   0.840
  101    H    ASP  16           H        ASP  16   4.231  -4.657   0.137
  102    HA   ASP  16           HA       ASP  16   1.977  -4.100  -1.478
  103   1HB   ASP  16          1HB       ASP  16   3.856  -5.540  -2.187
  104   2HB   ASP  16          2HB       ASP  16   3.351  -6.751  -1.014
  105    H    ALA  17           H        ALA  17   2.447  -6.204   1.336
  106    HA   ALA  17           HA       ALA  17  -0.104  -7.372   1.370
  107   1HB   ALA  17          1HB       ALA  17   1.793  -6.753   3.633
  108   2HB   ALA  17          2HB       ALA  17   0.336  -7.735   3.801
  109   3HB   ALA  17          3HB       ALA  17   1.645  -8.270   2.745
  110    H    LEU  18           H        LEU  18   1.108  -4.342   2.712
  111    HA   LEU  18           HA       LEU  18  -1.271  -3.579   4.031
  112   1HB   LEU  18          1HB       LEU  18   1.246  -2.604   3.961
  113   2HB   LEU  18          2HB       LEU  18   0.453  -1.465   2.890
  114    HG   LEU  18           HG       LEU  18  -1.238  -1.088   4.751
  115   1HD1  LEU  18          1HD1      LEU  18   0.736  -1.926   6.745
  116   2HD1  LEU  18          2HD1      LEU  18  -1.024  -2.031   6.768
  117   3HD1  LEU  18          3HD1      LEU  18  -0.079  -3.251   5.912
  118   1HD2  LEU  18          1HD2      LEU  18   0.952   0.245   4.108
  119   2HD2  LEU  18          2HD2      LEU  18  -0.020   0.680   5.515
  120   3HD2  LEU  18          3HD2      LEU  18   1.449  -0.275   5.720
  121    H    ALA  19           H        ALA  19  -0.051  -3.053   0.762
  122    HA   ALA  19           HA       ALA  19  -2.105  -1.284  -0.071
  123   1HB   ALA  19          1HB       ALA  19  -1.319  -2.251  -2.402
  124   2HB   ALA  19          2HB       ALA  19  -0.310  -1.144  -1.471
  125   3HB   ALA  19          3HB       ALA  19   0.007  -2.878  -1.422
  126    H    ALA  20           H        ALA  20  -1.804  -4.775  -0.002
  127    HA   ALA  20           HA       ALA  20  -4.067  -5.387  -1.585
  128   1HB   ALA  20          1HB       ALA  20  -2.393  -7.067  -1.094
  129   2HB   ALA  20          2HB       ALA  20  -2.762  -6.971   0.628
  130   3HB   ALA  20          3HB       ALA  20  -3.965  -7.600  -0.498
  131    H    ALA  21           H        ALA  21  -3.623  -4.953   1.897
  132    HA   ALA  21           HA       ALA  21  -6.351  -5.421   2.568
  133   1HB   ALA  21          1HB       ALA  21  -5.091  -5.753   4.420
  134   2HB   ALA  21          2HB       ALA  21  -3.924  -4.504   3.986
  135   3HB   ALA  21          3HB       ALA  21  -5.476  -4.055   4.691
  136    H    LYS  22           H        LYS  22  -4.514  -2.625   1.590
  137    HA   LYS  22           HA       LYS  22  -6.351  -0.630   2.392
  138   1HB   LYS  22          1HB       LYS  22  -3.877  -0.749   1.004
  139   2HB   LYS  22          2HB       LYS  22  -5.000   0.148  -0.008
  140   1HG   LYS  22          1HG       LYS  22  -4.112   1.834   1.247
  141   2HG   LYS  22          2HG       LYS  22  -5.524   1.416   2.218
  142   1HD   LYS  22          1HD       LYS  22  -3.756  -0.271   3.298
  143   2HD   LYS  22          2HD       LYS  22  -2.646   0.993   2.762
  144   1HE   LYS  22          2HE       LYS  22  -3.196   2.214   4.532
  145   2HE   LYS  22          1HE       LYS  22  -4.867   2.261   3.971
  146   1HZ   LYS  22          1HZ       LYS  22  -3.666   0.677   6.072
  147   2HZ   LYS  22          2HZ       LYS  22  -4.749  -0.175   5.080
  148   3HZ   LYS  22          3HZ       LYS  22  -5.264   1.216   5.899
  149    H    LYS  23           H        LYS  23  -6.109  -2.681  -0.434
  150    HA   LYS  23           HA       LYS  23  -8.011  -1.377  -2.050
  151   1HB   LYS  23          1HB       LYS  23  -6.404  -3.130  -2.828
  152   2HB   LYS  23          2HB       LYS  23  -7.370  -4.334  -1.986
  153   1HG   LYS  23          1HG       LYS  23  -8.872  -2.636  -3.846
  154   2HG   LYS  23          2HG       LYS  23  -7.657  -3.674  -4.596
  155   1HD   LYS  23          1HD       LYS  23  -8.695  -5.536  -3.120
  156   2HD   LYS  23          2HD       LYS  23 -10.067  -4.433  -2.990
  157   1HE   LYS  23          2HE       LYS  23  -9.348  -4.520  -5.714
  158   2HE   LYS  23          1HE       LYS  23  -9.361  -6.186  -5.140
  159   1HZ   LYS  23          1HZ       LYS  23 -11.598  -4.287  -4.678
  160   2HZ   LYS  23          2HZ       LYS  23 -11.596  -5.965  -4.436
  161   3HZ   LYS  23          3HZ       LYS  23 -11.521  -5.339  -6.011
  162    H    THR  24           H        THR  24  -8.297  -3.958   0.357
  163    HA   THR  24           HA       THR  24 -11.025  -4.514   0.000
  164    HB   THR  24           HB       THR  24 -10.052  -4.746   2.760
  165    HG1  THR  24           1HG      THR  24  -8.719  -6.317   0.798
  166   1HG2  THR  24          1HG2      THR  24 -10.747  -6.991   0.901
  167   2HG2  THR  24          2HG2      THR  24 -12.004  -5.920   1.521
  168   3HG2  THR  24          3HG2      THR  24 -11.016  -6.856   2.641
  169    H    ALA  25           H        ALA  25  -9.347  -2.145   2.012
  170    HA   ALA  25           HA       ALA  25 -11.658  -1.170   3.340
  171   1HB   ALA  25          1HB       ALA  25  -9.591  -0.695   4.362
  172   2HB   ALA  25          2HB       ALA  25  -8.918  -0.027   2.873
  173   3HB   ALA  25          3HB       ALA  25 -10.170   0.854   3.748
  174    H    ALA  26           H        ALA  26  -9.865  -0.101   0.474
  175    HA   ALA  26           HA       ALA  26 -11.442   2.175  -0.070
  176   1HB   ALA  26          1HB       ALA  26 -10.027   0.627  -2.213
  177   2HB   ALA  26          2HB       ALA  26 -10.243   2.372  -2.054
  178   3HB   ALA  26          3HB       ALA  26  -9.122   1.523  -0.991
  179    H    ASP  27           H        ASP  27 -11.784  -1.205  -0.884
  180    HA   ASP  27           HA       ASP  27 -13.743  -1.062  -2.869
  181   1HB   ASP  27          1HB       ASP  27 -12.589  -3.073  -1.176
  182   2HB   ASP  27          2HB       ASP  27 -14.337  -3.287  -1.211
  183    H    ALA  28           H        ALA  28 -14.052  -1.164   0.651
  184    HA   ALA  28           HA       ALA  28 -16.922  -1.016   0.585
  185   1HB   ALA  28          1HB       ALA  28 -15.340  -0.407   3.041
  186   2HB   ALA  28          2HB       ALA  28 -16.860  -1.283   2.869
  187   3HB   ALA  28          3HB       ALA  28 -15.343  -2.049   2.399
  188    H    ALA  29           H        ALA  29 -14.246   1.215   1.089
  189    HA   ALA  29           HA       ALA  29 -15.734   3.429   1.985
  190   1HB   ALA  29          1HB       ALA  29 -13.029   2.869   1.303
  191   2HB   ALA  29          2HB       ALA  29 -13.514   4.364   0.503
  192   3HB   ALA  29          3HB       ALA  29 -13.675   4.209   2.252
  193    H    ALA  30           H        ALA  30 -14.923   2.285  -1.245
  194    HA   ALA  30           HA       ALA  30 -15.976   4.558  -2.611
  195   1HB   ALA  30          1HB       ALA  30 -15.851   1.913  -3.959
  196   2HB   ALA  30          2HB       ALA  30 -15.375   3.507  -4.544
  197   3HB   ALA  30          3HB       ALA  30 -14.342   2.639  -3.408
  198    H    ALA  31           H        ALA  31 -17.251   1.383  -1.721
  199    HA   ALA  31           HA       ALA  31 -19.679   1.468  -3.092
  200   1HB   ALA  31          1HB       ALA  31 -19.113   0.194  -0.415
  201   2HB   ALA  31          2HB       ALA  31 -20.458  -0.195  -1.488
  202   3HB   ALA  31          3HB       ALA  31 -18.802  -0.541  -1.988
  203    H    ALA  32           H        ALA  32 -19.056   2.303   0.312
  204    HA   ALA  32           HA       ALA  32 -21.510   3.911   0.327
  205   1HB   ALA  32          1HB       ALA  32 -21.232   2.234   2.119
  206   2HB   ALA  32          2HB       ALA  32 -19.774   3.073   2.651
  207   3HB   ALA  32          3HB       ALA  32 -21.338   3.881   2.742
  208    H    ALA  33           H        ALA  33 -19.984   5.256  -1.178
  209    HA   ALA  33           HA       ALA  33 -17.907   6.780   0.014
  210   1HB   ALA  33          1HB       ALA  33 -18.702   6.327  -2.545
  211   2HB   ALA  33          2HB       ALA  33 -19.248   7.985  -2.300
  212   3HB   ALA  33          3HB       ALA  33 -17.552   7.570  -2.056
  213    H    ALA  34           H        ALA  34 -21.108   7.866  -1.137
  214    HA   ALA  34           HA       ALA  34 -20.933  10.174   0.630
  215   1HB   ALA  34          1HB       ALA  34 -23.376   9.670  -0.974
  216   2HB   ALA  34          2HB       ALA  34 -22.491  11.170  -0.693
  217   3HB   ALA  34          3HB       ALA  34 -21.882   9.989  -1.855
  218    H    ALA  35           H        ALA  35 -20.940   8.313   2.356
  219    HA   ALA  35           HA       ALA  35 -23.687   7.551   3.055
  220   1HB   ALA  35          1HB       ALA  35 -21.530   5.976   2.945
  221   2HB   ALA  35          2HB       ALA  35 -21.403   6.515   4.620
  222   3HB   ALA  35          3HB       ALA  35 -22.864   5.697   4.067
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  26.822  -2.385  -0.748
    2   2H    GLY   1          2H        GLY   1  28.184  -1.408  -0.993
    3   3H    GLY   1          3H        GLY   1  27.165  -1.780  -2.294
    4   1HA   GLY   1          2HA       GLY   1  27.035   0.497  -0.953
    5   2HA   GLY   1          1HA       GLY   1  25.660  -0.233  -1.772
    6    H    SER   2           H        SER   2  24.584   1.139  -0.076
    7    HA   SER   2           HA       SER   2  24.545  -0.044   2.584
    8   1HB   SER   2          1HB       SER   2  22.590   2.059   2.002
    9   2HB   SER   2          2HB       SER   2  23.811   1.980   3.274
   10    HG   SER   2           HG       SER   2  25.182   3.064   2.060
   11    H    MET   3           H        MET   3  22.943  -1.276   3.355
   12    HA   MET   3           HA       MET   3  21.003  -2.427   3.555
   13   1HB   MET   3          1HB       MET   3  20.163  -0.138   2.237
   14   2HB   MET   3          2HB       MET   3  19.572  -1.438   1.214
   15   1HG   MET   3          1HG       MET   3  17.910  -1.840   2.605
   16   2HG   MET   3          2HG       MET   3  19.035  -2.066   3.944
   17   1HE   MET   3          1HE       MET   3  15.918  -0.232   4.648
   18   2HE   MET   3          2HE       MET   3  15.978   0.899   3.299
   19   3HE   MET   3          3HE       MET   3  16.169  -0.829   3.006
   20    H    ASN   4           H        ASN   4  21.522  -4.462   3.110
   21    HA   ASN   4           HA       ASN   4  22.351  -5.513   0.645
   22   1HB   ASN   4          1HB       ASN   4  22.224  -6.459   3.182
   23   2HB   ASN   4          2HB       ASN   4  20.863  -7.317   2.467
   24   1HD2  ASN   4          1HD2      ASN   4  24.307  -6.616   1.983
   25   2HD2  ASN   4          2HD2      ASN   4  24.676  -8.135   1.224
   26    H    ALA   5           H        ALA   5  21.246  -6.782  -0.899
   27    HA   ALA   5           HA       ALA   5  18.820  -5.785  -1.784
   28   1HB   ALA   5          1HB       ALA   5  18.951  -8.346  -2.860
   29   2HB   ALA   5          2HB       ALA   5  19.574  -6.857  -3.567
   30   3HB   ALA   5          3HB       ALA   5  20.628  -7.877  -2.584
   31    HA   PRO   6           HA       PRO   6  16.573  -9.776   0.081
   32   1HB   PRO   6          1HB       PRO   6  18.438 -10.208   2.366
   33   2HB   PRO   6          2HB       PRO   6  17.513 -11.384   1.426
   34   1HG   PRO   6          1HG       PRO   6  20.120 -11.123   1.033
   35   2HG   PRO   6          2HG       PRO   6  19.023 -11.356  -0.341
   36   1HD   PRO   6          1HD       PRO   6  20.345  -8.851   0.622
   37   2HD   PRO   6          2HD       PRO   6  20.060  -9.409  -1.039
   38    H    ALA   7           H        ALA   7  18.361  -7.429   2.022
   39    HA   ALA   7           HA       ALA   7  16.499  -7.233   4.144
   40   1HB   ALA   7          1HB       ALA   7  17.618  -4.837   4.274
   41   2HB   ALA   7          2HB       ALA   7  18.489  -6.292   4.754
   42   3HB   ALA   7          3HB       ALA   7  18.767  -5.583   3.163
   43    H    ARG   8           H        ARG   8  16.865  -5.495   1.092
   44    HA   ARG   8           HA       ARG   8  14.649  -3.744   1.537
   45   1HB   ARG   8          1HB       ARG   8  16.139  -4.526  -0.971
   46   2HB   ARG   8          2HB       ARG   8  14.867  -3.312  -0.927
   47   1HG   ARG   8          1HG       ARG   8  16.161  -1.800   0.218
   48   2HG   ARG   8          2HG       ARG   8  17.196  -3.048   0.915
   49   1HD   ARG   8          1HD       ARG   8  18.538  -3.148  -0.915
   50   2HD   ARG   8          2HD       ARG   8  17.222  -2.787  -2.029
   51    HE   ARG   8           HE       ARG   8  17.595  -0.447  -0.684
   52   1HH1  ARG   8          2HH1      ARG   8  19.719  -2.579  -2.478
   53   2HH1  ARG   8          1HH1      ARG   8  20.752  -1.298  -3.033
   54   1HH2  ARG   8          2HH2      ARG   8  18.961   1.246  -1.419
   55   2HH2  ARG   8          1HH2      ARG   8  20.317   0.865  -2.435
   56    H    ALA   9           H        ALA   9  15.124  -6.890   0.104
   57    HA   ALA   9           HA       ALA   9  12.616  -7.157  -1.165
   58   1HB   ALA   9          1HB       ALA   9  13.382  -9.710  -0.365
   59   2HB   ALA   9          2HB       ALA   9  13.743  -8.930  -1.908
   60   3HB   ALA   9          3HB       ALA   9  14.896  -8.830  -0.576
   61    H    ALA  10           H        ALA  10  13.748  -7.936   2.086
   62    HA   ALA  10           HA       ALA  10  11.334  -9.170   2.940
   63   1HB   ALA  10          1HB       ALA  10  13.276  -7.886   4.821
   64   2HB   ALA  10          2HB       ALA  10  12.334  -9.365   5.023
   65   3HB   ALA  10          3HB       ALA  10  13.717  -9.342   3.928
   66    H    ALA  11           H        ALA  11  12.230  -5.917   2.491
   67    HA   ALA  11           HA       ALA  11  10.361  -4.847   4.423
   68   1HB   ALA  11          1HB       ALA  11  11.069  -2.765   2.759
   69   2HB   ALA  11          2HB       ALA  11  11.860  -3.194   4.276
   70   3HB   ALA  11          3HB       ALA  11  12.495  -3.802   2.746
   71    H    LYS  12           H        LYS  12  10.369  -5.834   1.135
   72    HA   LYS  12           HA       LYS  12   8.317  -4.147   0.154
   73   1HB   LYS  12          1HB       LYS  12  10.040  -5.496  -1.174
   74   2HB   LYS  12          2HB       LYS  12   8.977  -6.875  -0.933
   75   1HG   LYS  12          1HG       LYS  12   7.594  -4.517  -1.951
   76   2HG   LYS  12          2HG       LYS  12   8.867  -5.110  -3.019
   77   1HD   LYS  12          1HD       LYS  12   7.619  -7.429  -2.282
   78   2HD   LYS  12          2HD       LYS  12   6.269  -6.293  -2.347
   79   1HE   LYS  12          2HE       LYS  12   7.552  -5.639  -4.623
   80   2HE   LYS  12          1HE       LYS  12   7.970  -7.350  -4.512
   81   1HZ   LYS  12          1HZ       LYS  12   5.979  -7.805  -5.333
   82   2HZ   LYS  12          2HZ       LYS  12   5.530  -6.167  -5.305
   83   3HZ   LYS  12          3HZ       LYS  12   5.254  -7.144  -3.947
   84    H    THR  13           H        THR  13   8.304  -7.224   1.823
   85    HA   THR  13           HA       THR  13   5.751  -8.111   1.088
   86    HB   THR  13           HB       THR  13   6.278  -8.934   3.758
   87    HG1  THR  13           1HG      THR  13   8.383  -8.917   3.864
   88   1HG2  THR  13          1HG2      THR  13   6.632 -11.111   2.692
   89   2HG2  THR  13          2HG2      THR  13   6.759 -10.326   1.117
   90   3HG2  THR  13          3HG2      THR  13   5.232 -10.293   2.000
   91    H    ALA  14           H        ALA  14   6.762  -5.782   3.499
   92    HA   ALA  14           HA       ALA  14   4.276  -5.681   4.896
   93   1HB   ALA  14          1HB       ALA  14   6.699  -3.925   4.790
   94   2HB   ALA  14          2HB       ALA  14   5.243  -3.401   5.638
   95   3HB   ALA  14          3HB       ALA  14   6.071  -4.877   6.134
   96    H    ALA  15           H        ALA  15   5.715  -3.851   2.243
   97    HA   ALA  15           HA       ALA  15   3.563  -1.975   2.060
   98   1HB   ALA  15          1HB       ALA  15   5.011  -2.118  -0.387
   99   2HB   ALA  15          2HB       ALA  15   5.063  -0.867   0.856
  100   3HB   ALA  15          3HB       ALA  15   6.154  -2.249   0.951
  101    H    ASP  16           H        ASP  16   4.440  -4.972   0.442
  102    HA   ASP  16           HA       ASP  16   2.575  -4.912  -1.645
  103   1HB   ASP  16          1HB       ASP  16   4.514  -6.580  -1.165
  104   2HB   ASP  16          2HB       ASP  16   3.309  -7.466  -0.239
  105    H    ALA  17           H        ALA  17   2.312  -6.364   1.585
  106    HA   ALA  17           HA       ALA  17  -0.343  -7.252   1.346
  107   1HB   ALA  17          1HB       ALA  17   0.267  -6.480   4.051
  108   2HB   ALA  17          2HB       ALA  17   0.081  -8.094   3.360
  109   3HB   ALA  17          3HB       ALA  17   1.649  -7.292   3.313
  110    H    LEU  18           H        LEU  18   1.034  -4.191   2.396
  111    HA   LEU  18           HA       LEU  18  -1.296  -2.986   3.379
  112   1HB   LEU  18          1HB       LEU  18   1.156  -2.235   3.549
  113   2HB   LEU  18          2HB       LEU  18   0.903  -1.493   1.981
  114    HG   LEU  18           HG       LEU  18  -0.791  -0.028   2.878
  115   1HD1  LEU  18          1HD1      LEU  18  -0.450  -0.662   5.691
  116   2HD1  LEU  18          2HD1      LEU  18  -1.925  -0.394   4.764
  117   3HD1  LEU  18          3HD1      LEU  18  -1.174  -1.990   4.786
  118   1HD2  LEU  18          1HD2      LEU  18   1.913   0.007   3.580
  119   2HD2  LEU  18          2HD2      LEU  18   0.792   1.369   3.561
  120   3HD2  LEU  18          3HD2      LEU  18   1.035   0.447   5.046
  121    H    ALA  19           H        ALA  19   0.079  -3.098   0.127
  122    HA   ALA  19           HA       ALA  19  -1.690  -1.286  -1.098
  123   1HB   ALA  19          1HB       ALA  19   0.447  -2.116  -2.073
  124   2HB   ALA  19          2HB       ALA  19  -0.357  -3.650  -2.409
  125   3HB   ALA  19          3HB       ALA  19  -0.919  -2.169  -3.187
  126    H    ALA  20           H        ALA  20  -1.892  -4.746  -0.514
  127    HA   ALA  20           HA       ALA  20  -4.295  -5.143  -2.003
  128   1HB   ALA  20          1HB       ALA  20  -3.278  -6.889   0.228
  129   2HB   ALA  20          2HB       ALA  20  -4.304  -7.346  -1.132
  130   3HB   ALA  20          3HB       ALA  20  -2.615  -6.920  -1.405
  131    H    ALA  21           H        ALA  21  -3.541  -4.483   1.371
  132    HA   ALA  21           HA       ALA  21  -6.171  -4.802   2.378
  133   1HB   ALA  21          1HB       ALA  21  -5.316  -4.159   4.395
  134   2HB   ALA  21          2HB       ALA  21  -3.817  -4.596   3.577
  135   3HB   ALA  21          3HB       ALA  21  -4.297  -2.904   3.690
  136    H    LYS  22           H        LYS  22  -4.469  -2.156   0.852
  137    HA   LYS  22           HA       LYS  22  -6.334  -0.124   1.508
  138   1HB   LYS  22          1HB       LYS  22  -3.898  -0.218   0.199
  139   2HB   LYS  22          2HB       LYS  22  -5.026   0.214  -1.078
  140   1HG   LYS  22          1HG       LYS  22  -4.591   2.298  -0.356
  141   2HG   LYS  22          2HG       LYS  22  -5.842   1.912   0.827
  142   1HD   LYS  22          1HD       LYS  22  -3.300   0.949   1.743
  143   2HD   LYS  22          2HD       LYS  22  -3.173   2.656   1.314
  144   1HE   LYS  22          2HE       LYS  22  -4.326   3.276   3.114
  145   2HE   LYS  22          1HE       LYS  22  -5.610   2.119   2.767
  146   1HZ   LYS  22          1HZ       LYS  22  -4.868   1.271   4.716
  147   2HZ   LYS  22          2HZ       LYS  22  -3.289   1.857   4.523
  148   3HZ   LYS  22          3HZ       LYS  22  -3.788   0.466   3.695
  149    H    LYS  23           H        LYS  23  -6.315  -2.678  -0.830
  150    HA   LYS  23           HA       LYS  23  -8.311  -1.568  -2.552
  151   1HB   LYS  23          1HB       LYS  23  -7.238  -4.360  -2.169
  152   2HB   LYS  23          2HB       LYS  23  -8.533  -4.002  -3.304
  153   1HG   LYS  23          1HG       LYS  23  -5.762  -2.821  -3.359
  154   2HG   LYS  23          2HG       LYS  23  -6.371  -4.095  -4.416
  155   1HD   LYS  23          1HD       LYS  23  -7.603  -2.656  -5.669
  156   2HD   LYS  23          2HD       LYS  23  -7.949  -1.592  -4.302
  157   1HE   LYS  23          2HE       LYS  23  -5.299  -1.211  -4.533
  158   2HE   LYS  23          1HE       LYS  23  -5.694  -1.581  -6.209
  159   1HZ   LYS  23          1HZ       LYS  23  -6.841   0.588  -4.539
  160   2HZ   LYS  23          2HZ       LYS  23  -7.428   0.169  -6.074
  161   3HZ   LYS  23          3HZ       LYS  23  -5.846   0.756  -5.902
  162    H    THR  24           H        THR  24  -8.323  -3.832   0.169
  163    HA   THR  24           HA       THR  24 -11.102  -4.366   0.120
  164    HB   THR  24           HB       THR  24 -10.292  -4.607   2.778
  165    HG1  THR  24           1HG      THR  24  -8.218  -5.944   1.761
  166   1HG2  THR  24          1HG2      THR  24 -11.582  -6.283   1.664
  167   2HG2  THR  24          2HG2      THR  24 -10.075  -7.039   2.183
  168   3HG2  THR  24          3HG2      THR  24 -10.294  -6.581   0.495
  169    H    ALA  25           H        ALA  25  -9.118  -1.961   1.781
  170    HA   ALA  25           HA       ALA  25 -11.140  -0.784   3.335
  171   1HB   ALA  25          1HB       ALA  25  -9.524   1.297   2.952
  172   2HB   ALA  25          2HB       ALA  25  -9.106  -0.043   4.020
  173   3HB   ALA  25          3HB       ALA  25  -8.454   0.015   2.381
  174    H    ALA  26           H        ALA  26  -9.913   0.032   0.098
  175    HA   ALA  26           HA       ALA  26 -11.590   2.238  -0.361
  176   1HB   ALA  26          1HB       ALA  26 -10.489   0.360  -2.445
  177   2HB   ALA  26          2HB       ALA  26 -10.995   2.032  -2.674
  178   3HB   ALA  26          3HB       ALA  26  -9.570   1.669  -1.700
  179    H    ASP  27           H        ASP  27 -12.017  -1.205  -0.981
  180    HA   ASP  27           HA       ASP  27 -14.430  -1.031  -2.424
  181   1HB   ASP  27          1HB       ASP  27 -12.862  -3.053  -2.122
  182   2HB   ASP  27          2HB       ASP  27 -13.723  -3.332  -0.611
  183    H    ALA  28           H        ALA  28 -13.805  -1.553   1.033
  184    HA   ALA  28           HA       ALA  28 -16.511  -1.682   1.816
  185   1HB   ALA  28          1HB       ALA  28 -14.436  -2.385   3.131
  186   2HB   ALA  28          2HB       ALA  28 -14.296  -0.684   3.584
  187   3HB   ALA  28          3HB       ALA  28 -15.735  -1.599   4.028
  188    H    ALA  29           H        ALA  29 -14.207   1.007   1.636
  189    HA   ALA  29           HA       ALA  29 -15.871   2.976   2.767
  190   1HB   ALA  29          1HB       ALA  29 -14.188   4.417   2.318
  191   2HB   ALA  29          2HB       ALA  29 -13.295   2.925   2.028
  192   3HB   ALA  29          3HB       ALA  29 -13.974   3.822   0.671
  193    H    ALA  30           H        ALA  30 -15.496   1.799  -0.537
  194    HA   ALA  30           HA       ALA  30 -17.115   3.704  -1.824
  195   1HB   ALA  30          1HB       ALA  30 -16.896   0.806  -2.618
  196   2HB   ALA  30          2HB       ALA  30 -17.211   2.198  -3.655
  197   3HB   ALA  30          3HB       ALA  30 -15.622   1.989  -2.919
  198    H    ALA  31           H        ALA  31 -17.889   0.624  -0.268
  199    HA   ALA  31           HA       ALA  31 -20.666   0.691  -0.840
  200   1HB   ALA  31          1HB       ALA  31 -20.850  -1.091   0.801
  201   2HB   ALA  31          2HB       ALA  31 -19.457  -1.363  -0.249
  202   3HB   ALA  31          3HB       ALA  31 -19.222  -0.743   1.385
  203    H    ALA  32           H        ALA  32 -18.699   1.805   1.864
  204    HA   ALA  32           HA       ALA  32 -20.780   2.530   3.610
  205   1HB   ALA  32          1HB       ALA  32 -18.993   2.806   4.901
  206   2HB   ALA  32          2HB       ALA  32 -17.925   2.811   3.497
  207   3HB   ALA  32          3HB       ALA  32 -18.661   4.316   4.050
  208    H    ALA  33           H        ALA  33 -19.080   4.362   1.098
  209    HA   ALA  33           HA       ALA  33 -20.503   6.797   1.604
  210   1HB   ALA  33          1HB       ALA  33 -18.715   7.526   0.498
  211   2HB   ALA  33          2HB       ALA  33 -18.360   5.913  -0.124
  212   3HB   ALA  33          3HB       ALA  33 -19.498   6.957  -0.977
  213    H    ALA  34           H        ALA  34 -21.515   3.948   0.322
  214    HA   ALA  34           HA       ALA  34 -23.505   5.247  -1.415
  215   1HB   ALA  34          1HB       ALA  34 -23.867   3.023  -2.393
  216   2HB   ALA  34          2HB       ALA  34 -22.190   3.551  -2.560
  217   3HB   ALA  34          3HB       ALA  34 -22.620   2.362  -1.332
  218    H    ALA  35           H        ALA  35 -23.132   4.340   1.659
  219    HA   ALA  35           HA       ALA  35 -25.843   3.220   1.919
  220   1HB   ALA  35          1HB       ALA  35 -23.303   2.580   3.228
  221   2HB   ALA  35          2HB       ALA  35 -24.656   2.773   4.344
  222   3HB   ALA  35          3HB       ALA  35 -24.758   1.601   3.032
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1   7.137 -18.351  18.434
    2   2H    GLY   1          2H        GLY   1   5.969 -19.410  17.816
    3   3H    GLY   1          3H        GLY   1   6.743 -19.762  19.286
    4   1HA   GLY   1          2HA       GLY   1   4.437 -18.895  19.513
    5   2HA   GLY   1          1HA       GLY   1   5.669 -18.009  20.405
    6    H    SER   2           H        SER   2   2.977 -17.384  19.046
    7    HA   SER   2           HA       SER   2   1.973 -15.615  18.061
    8   1HB   SER   2          1HB       SER   2   4.517 -14.049  18.462
    9   2HB   SER   2          2HB       SER   2   2.852 -13.463  18.485
   10    HG   SER   2           HG       SER   2   4.333 -14.742  20.466
   11    H    MET   3           H        MET   3   3.329 -13.486  16.544
   12    HA   MET   3           HA       MET   3   3.861 -15.030  14.096
   13   1HB   MET   3          1HB       MET   3   2.536 -12.431  14.662
   14   2HB   MET   3          2HB       MET   3   3.466 -12.540  13.173
   15   1HG   MET   3          1HG       MET   3   2.020 -14.829  13.060
   16   2HG   MET   3          2HG       MET   3   0.899 -13.746  13.888
   17   1HE   MET   3          1HE       MET   3   0.925 -10.981  12.791
   18   2HE   MET   3          2HE       MET   3   2.618 -11.154  12.331
   19   3HE   MET   3          3HE       MET   3   1.416 -10.716  11.117
   20    H    ASN   4           H        ASN   4   5.972 -14.948  15.744
   21    HA   ASN   4           HA       ASN   4   7.561 -12.631  15.651
   22   1HB   ASN   4          1HB       ASN   4   7.903 -14.377  17.324
   23   2HB   ASN   4          2HB       ASN   4   8.405 -15.496  16.062
   24   1HD2  ASN   4          1HD2      ASN   4   9.237 -12.443  17.630
   25   2HD2  ASN   4          2HD2      ASN   4  10.946 -12.570  17.353
   26    H    ALA   5           H        ALA   5   7.484 -15.480  13.622
   27    HA   ALA   5           HA       ALA   5   9.762 -14.770  12.073
   28   1HB   ALA   5          1HB       ALA   5   9.483 -16.736  11.007
   29   2HB   ALA   5          2HB       ALA   5   8.376 -17.061  12.341
   30   3HB   ALA   5          3HB       ALA   5   7.750 -16.500  10.790
   31    HA   PRO   6           HA       PRO   6   6.449 -13.195   8.782
   32   1HB   PRO   6          1HB       PRO   6   4.274 -12.492  10.687
   33   2HB   PRO   6          2HB       PRO   6   4.169 -13.111   9.036
   34   1HG   PRO   6          1HG       PRO   6   3.664 -14.704  11.103
   35   2HG   PRO   6          2HG       PRO   6   4.563 -15.304   9.696
   36   1HD   PRO   6          1HD       PRO   6   5.583 -14.497  12.388
   37   2HD   PRO   6          2HD       PRO   6   6.088 -15.840  11.343
   38    H    ALA   7           H        ALA   7   6.682 -11.972  12.076
   39    HA   ALA   7           HA       ALA   7   6.408  -9.222  11.429
   40   1HB   ALA   7          1HB       ALA   7   7.868 -10.345  13.813
   41   2HB   ALA   7          2HB       ALA   7   7.091  -8.767  13.660
   42   3HB   ALA   7          3HB       ALA   7   6.110 -10.230  13.710
   43    H    ARG   8           H        ARG   8   9.107 -11.445  11.462
   44    HA   ARG   8           HA       ARG   8  11.100  -9.382  11.230
   45   1HB   ARG   8          1HB       ARG   8  11.260 -11.901  12.086
   46   2HB   ARG   8          2HB       ARG   8  11.678 -12.184  10.402
   47   1HG   ARG   8          1HG       ARG   8  13.756 -11.826  11.208
   48   2HG   ARG   8          2HG       ARG   8  13.324 -10.150  10.884
   49   1HD   ARG   8          1HD       ARG   8  14.350 -10.468  13.108
   50   2HD   ARG   8          2HD       ARG   8  12.722  -9.799  13.187
   51    HE   ARG   8           HE       ARG   8  12.046 -11.652  14.326
   52   1HH1  ARG   8          2HH1      ARG   8  15.115 -12.343  12.787
   53   2HH1  ARG   8          1HH1      ARG   8  15.296 -13.892  13.551
   54   1HH2  ARG   8          2HH2      ARG   8  12.294 -13.700  15.339
   55   2HH2  ARG   8          1HH2      ARG   8  13.711 -14.653  15.014
   56    H    ALA   9           H        ALA   9   9.247 -11.390   9.081
   57    HA   ALA   9           HA       ALA   9  10.743 -10.560   6.733
   58   1HB   ALA   9          1HB       ALA   9  10.091 -12.625   6.162
   59   2HB   ALA   9          2HB       ALA   9   8.800 -12.648   7.362
   60   3HB   ALA   9          3HB       ALA   9   8.534 -11.885   5.795
   61    H    ALA  10           H        ALA  10   8.536  -9.120   8.630
   62    HA   ALA  10           HA       ALA  10   6.399  -8.370   7.019
   63   1HB   ALA  10          1HB       ALA  10   7.017  -8.022   9.609
   64   2HB   ALA  10          2HB       ALA  10   7.277  -6.387   9.001
   65   3HB   ALA  10          3HB       ALA  10   5.711  -7.168   8.787
   66    H    ALA  11           H        ALA  11   9.641  -7.268   6.867
   67    HA   ALA  11           HA       ALA  11   9.376  -4.687   5.893
   68   1HB   ALA  11          1HB       ALA  11  11.363  -6.651   4.783
   69   2HB   ALA  11          2HB       ALA  11  11.543  -4.911   5.004
   70   3HB   ALA  11          3HB       ALA  11  11.505  -5.978   6.407
   71    H    LYS  12           H        LYS  12   9.103  -7.775   4.172
   72    HA   LYS  12           HA       LYS  12   8.476  -6.479   1.669
   73   1HB   LYS  12          1HB       LYS  12   9.528  -8.889   2.237
   74   2HB   LYS  12          2HB       LYS  12   7.840  -9.347   2.060
   75   1HG   LYS  12          1HG       LYS  12   9.126  -7.664  -0.038
   76   2HG   LYS  12          2HG       LYS  12   9.450  -9.398   0.017
   77   1HD   LYS  12          1HD       LYS  12   7.513  -9.800  -0.996
   78   2HD   LYS  12          2HD       LYS  12   6.651  -9.010   0.325
   79   1HE   LYS  12          2HE       LYS  12   6.294  -7.144  -0.864
   80   2HE   LYS  12          1HE       LYS  12   7.922  -7.156  -1.544
   81   1HZ   LYS  12          1HZ       LYS  12   7.056  -9.070  -2.967
   82   2HZ   LYS  12          2HZ       LYS  12   6.547  -7.502  -3.368
   83   3HZ   LYS  12          3HZ       LYS  12   5.504  -8.544  -2.518
   84    H    THR  13           H        THR  13   6.730  -8.278   4.173
   85    HA   THR  13           HA       THR  13   4.264  -8.432   2.862
   86    HB   THR  13           HB       THR  13   4.062  -8.210   5.773
   87    HG1  THR  13           1HG      THR  13   5.436  -9.939   6.210
   88   1HG2  THR  13          1HG2      THR  13   2.996  -9.747   3.595
   89   2HG2  THR  13          2HG2      THR  13   2.397  -9.609   5.248
   90   3HG2  THR  13          3HG2      THR  13   3.597 -10.836   4.843
   91    H    ALA  14           H        ALA  14   5.635  -5.877   4.869
   92    HA   ALA  14           HA       ALA  14   3.290  -4.394   5.303
   93   1HB   ALA  14          1HB       ALA  14   4.686  -3.076   6.427
   94   2HB   ALA  14          2HB       ALA  14   6.011  -4.104   5.879
   95   3HB   ALA  14          3HB       ALA  14   5.564  -2.672   4.954
   96    H    ALA  15           H        ALA  15   5.657  -4.299   2.665
   97    HA   ALA  15           HA       ALA  15   4.421  -2.121   1.305
   98   1HB   ALA  15          1HB       ALA  15   6.807  -2.747   1.042
   99   2HB   ALA  15          2HB       ALA  15   6.297  -4.197   0.178
  100   3HB   ALA  15          3HB       ALA  15   5.952  -2.603  -0.494
  101    H    ASP  16           H        ASP  16   4.273  -5.635   1.007
  102    HA   ASP  16           HA       ASP  16   2.702  -5.734  -1.338
  103   1HB   ASP  16          1HB       ASP  16   3.934  -7.592   0.299
  104   2HB   ASP  16          2HB       ASP  16   2.224  -7.922   0.550
  105    H    ALA  17           H        ALA  17   1.830  -5.843   2.096
  106    HA   ALA  17           HA       ALA  17  -0.941  -6.174   1.722
  107   1HB   ALA  17          1HB       ALA  17  -0.419  -4.722   4.129
  108   2HB   ALA  17          2HB       ALA  17  -0.886  -6.411   3.925
  109   3HB   ALA  17          3HB       ALA  17   0.819  -5.957   3.907
  110    H    LEU  18           H        LEU  18   1.096  -3.310   1.855
  111    HA   LEU  18           HA       LEU  18  -0.983  -1.413   2.111
  112   1HB   LEU  18          1HB       LEU  18   1.458  -0.986   2.493
  113   2HB   LEU  18          2HB       LEU  18   1.678  -1.005   0.754
  114    HG   LEU  18           HG       LEU  18  -0.390   0.823   1.216
  115   1HD1  LEU  18          1HD1      LEU  18   1.662   2.060   2.794
  116   2HD1  LEU  18          2HD1      LEU  18  -0.057   1.863   3.138
  117   3HD1  LEU  18          3HD1      LEU  18   1.080   0.590   3.575
  118   1HD2  LEU  18          1HD2      LEU  18   2.518   1.451   0.754
  119   2HD2  LEU  18          2HD2      LEU  18   1.436   0.841  -0.498
  120   3HD2  LEU  18          3HD2      LEU  18   1.114   2.400   0.261
  121    H    ALA  19           H        ALA  19   0.488  -2.994  -0.646
  122    HA   ALA  19           HA       ALA  19  -0.823  -1.422  -2.630
  123   1HB   ALA  19          1HB       ALA  19   0.269  -2.711  -4.159
  124   2HB   ALA  19          2HB       ALA  19   1.274  -3.048  -2.747
  125   3HB   ALA  19          3HB       ALA  19   0.031  -4.198  -3.240
  126    H    ALA  20           H        ALA  20  -1.447  -4.556  -1.118
  127    HA   ALA  20           HA       ALA  20  -3.753  -5.207  -2.608
  128   1HB   ALA  20          1HB       ALA  20  -4.130  -6.430  -0.174
  129   2HB   ALA  20          2HB       ALA  20  -3.231  -7.098  -1.535
  130   3HB   ALA  20          3HB       ALA  20  -2.378  -6.237  -0.252
  131    H    ALA  21           H        ALA  21  -3.294  -3.484   0.438
  132    HA   ALA  21           HA       ALA  21  -5.952  -3.246   1.239
  133   1HB   ALA  21          1HB       ALA  21  -3.475  -2.341   2.141
  134   2HB   ALA  21          2HB       ALA  21  -4.449  -0.887   1.917
  135   3HB   ALA  21          3HB       ALA  21  -5.030  -2.185   2.959
  136    H    LYS  22           H        LYS  22  -4.168  -1.479  -1.178
  137    HA   LYS  22           HA       LYS  22  -5.785   0.790  -1.428
  138   1HB   LYS  22          1HB       LYS  22  -3.673  -0.461  -2.905
  139   2HB   LYS  22          2HB       LYS  22  -4.940   0.027  -4.021
  140   1HG   LYS  22          1HG       LYS  22  -3.897   2.004  -4.008
  141   2HG   LYS  22          2HG       LYS  22  -4.714   2.245  -2.464
  142   1HD   LYS  22          1HD       LYS  22  -2.361   0.734  -1.977
  143   2HD   LYS  22          2HD       LYS  22  -1.920   2.104  -2.996
  144   1HE   LYS  22          2HE       LYS  22  -1.895   3.345  -1.141
  145   2HE   LYS  22          1HE       LYS  22  -3.649   3.173  -1.100
  146   1HZ   LYS  22          1HZ       LYS  22  -2.207   0.932   0.019
  147   2HZ   LYS  22          2HZ       LYS  22  -3.556   1.765   0.616
  148   3HZ   LYS  22          3HZ       LYS  22  -1.998   2.387   0.867
  149    H    LYS  23           H        LYS  23  -6.245  -2.493  -2.534
  150    HA   LYS  23           HA       LYS  23  -8.540  -1.804  -4.158
  151   1HB   LYS  23          1HB       LYS  23  -6.872  -3.792  -4.476
  152   2HB   LYS  23          2HB       LYS  23  -7.884  -4.595  -3.282
  153   1HG   LYS  23          1HG       LYS  23  -8.915  -5.301  -5.168
  154   2HG   LYS  23          2HG       LYS  23  -9.805  -3.798  -4.912
  155   1HD   LYS  23          1HD       LYS  23  -8.276  -2.654  -6.462
  156   2HD   LYS  23          2HD       LYS  23  -7.427  -4.178  -6.735
  157   1HE   LYS  23          2HE       LYS  23 -10.377  -4.017  -7.181
  158   2HE   LYS  23          1HE       LYS  23  -9.273  -3.384  -8.401
  159   1HZ   LYS  23          1HZ       LYS  23  -9.407  -6.169  -7.373
  160   2HZ   LYS  23          2HZ       LYS  23  -8.164  -5.593  -8.376
  161   3HZ   LYS  23          3HZ       LYS  23  -9.761  -5.630  -8.945
  162    H    THR  24           H        THR  24  -7.899  -3.380  -1.053
  163    HA   THR  24           HA       THR  24 -10.585  -4.064  -0.479
  164    HB   THR  24           HB       THR  24  -8.870  -3.631   1.853
  165    HG1  THR  24           1HG      THR  24  -7.808  -5.759   0.640
  166   1HG2  THR  24          1HG2      THR  24 -10.994  -5.133   1.366
  167   2HG2  THR  24          2HG2      THR  24  -9.758  -5.628   2.521
  168   3HG2  THR  24          3HG2      THR  24  -9.760  -6.298   0.890
  169    H    ALA  25           H        ALA  25  -8.886  -1.116  -0.246
  170    HA   ALA  25           HA       ALA  25  -9.975   0.198   1.904
  171   1HB   ALA  25          1HB       ALA  25  -8.753   1.849   1.068
  172   2HB   ALA  25          2HB       ALA  25  -8.514   0.900  -0.398
  173   3HB   ALA  25          3HB       ALA  25  -9.867   2.023  -0.288
  174    H    ALA  26           H        ALA  26 -11.332   0.036  -1.392
  175    HA   ALA  26           HA       ALA  26 -13.588   1.629  -0.903
  176   1HB   ALA  26          1HB       ALA  26 -13.872  -0.579  -2.849
  177   2HB   ALA  26          2HB       ALA  26 -14.207   1.143  -3.027
  178   3HB   ALA  26          3HB       ALA  26 -12.547   0.554  -3.116
  179    H    ASP  27           H        ASP  27 -12.996  -1.765  -0.292
  180    HA   ASP  27           HA       ASP  27 -15.767  -2.389   0.185
  181   1HB   ASP  27          1HB       ASP  27 -13.699  -3.960  -0.486
  182   2HB   ASP  27          2HB       ASP  27 -13.620  -4.147   1.264
  183    H    ALA  28           H        ALA  28 -12.869  -1.988   2.186
  184    HA   ALA  28           HA       ALA  28 -14.064  -2.442   4.680
  185   1HB   ALA  28          1HB       ALA  28 -11.913  -0.512   4.813
  186   2HB   ALA  28          2HB       ALA  28 -11.981  -2.169   5.413
  187   3HB   ALA  28          3HB       ALA  28 -11.521  -1.856   3.741
  188    H    ALA  29           H        ALA  29 -13.790   0.484   2.743
  189    HA   ALA  29           HA       ALA  29 -14.565   2.359   4.679
  190   1HB   ALA  29          1HB       ALA  29 -14.007   3.654   2.961
  191   2HB   ALA  29          2HB       ALA  29 -14.163   2.311   1.827
  192   3HB   ALA  29          3HB       ALA  29 -15.574   3.282   2.245
  193    H    ALA  30           H        ALA  30 -16.485   0.394   2.456
  194    HA   ALA  30           HA       ALA  30 -18.970   1.601   3.240
  195   1HB   ALA  30          1HB       ALA  30 -19.910  -0.413   1.946
  196   2HB   ALA  30          2HB       ALA  30 -18.987   0.800   1.057
  197   3HB   ALA  30          3HB       ALA  30 -18.232  -0.728   1.508
  198    H    ALA  31           H        ALA  31 -17.057  -1.107   4.269
  199    HA   ALA  31           HA       ALA  31 -19.168  -2.488   5.627
  200   1HB   ALA  31          1HB       ALA  31 -17.133  -3.692   6.683
  201   2HB   ALA  31          2HB       ALA  31 -17.473  -3.912   4.967
  202   3HB   ALA  31          3HB       ALA  31 -16.202  -2.802   5.479
  203    H    ALA  32           H        ALA  32 -17.473   0.300   6.338
  204    HA   ALA  32           HA       ALA  32 -17.135  -0.033   9.152
  205   1HB   ALA  32          1HB       ALA  32 -15.698   1.557   8.370
  206   2HB   ALA  32          2HB       ALA  32 -16.870   2.219   7.230
  207   3HB   ALA  32          3HB       ALA  32 -17.005   2.591   8.949
  208    H    ALA  33           H        ALA  33 -19.873   0.318   7.314
  209    HA   ALA  33           HA       ALA  33 -21.328   1.924   9.273
  210   1HB   ALA  33          1HB       ALA  33 -22.568   0.744   6.821
  211   2HB   ALA  33          2HB       ALA  33 -22.979   2.228   7.679
  212   3HB   ALA  33          3HB       ALA  33 -21.513   2.152   6.700
  213    H    ALA  34           H        ALA  34 -20.345  -1.029   9.433
  214    HA   ALA  34           HA       ALA  34 -22.917  -2.126  10.367
  215   1HB   ALA  34          1HB       ALA  34 -21.629  -4.387   9.933
  216   2HB   ALA  34          2HB       ALA  34 -22.476  -3.556   8.627
  217   3HB   ALA  34          3HB       ALA  34 -20.728  -3.390   8.792
  218    H    ALA  35           H        ALA  35 -21.534  -0.589  12.076
  219    HA   ALA  35           HA       ALA  35 -20.310  -2.538  13.910
  220   1HB   ALA  35          1HB       ALA  35 -18.487  -1.255  13.089
  221   2HB   ALA  35          2HB       ALA  35 -19.373   0.257  13.289
  222   3HB   ALA  35          3HB       ALA  35 -18.843  -0.652  14.704
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  16.127   8.888  -8.360
    2   2H    GLY   1          2H        GLY   1  15.861   8.396  -9.960
    3   3H    GLY   1          3H        GLY   1  17.299   7.975  -9.176
    4   1HA   GLY   1          2HA       GLY   1  16.097   6.588  -7.615
    5   2HA   GLY   1          1HA       GLY   1  14.589   7.041  -8.399
    6    H    SER   2           H        SER   2  16.069   4.419  -8.043
    7    HA   SER   2           HA       SER   2  16.854   3.619 -10.670
    8   1HB   SER   2          1HB       SER   2  16.082   1.400  -8.992
    9   2HB   SER   2          2HB       SER   2  17.689   1.862  -9.553
   10    HG   SER   2           HG       SER   2  17.807   3.329  -7.796
   11    H    MET   3           H        MET   3  15.495   3.328 -12.309
   12    HA   MET   3           HA       MET   3  12.667   2.997 -11.844
   13   1HB   MET   3          1HB       MET   3  14.235   4.059 -13.901
   14   2HB   MET   3          2HB       MET   3  13.462   2.646 -14.602
   15   1HG   MET   3          1HG       MET   3  12.052   4.486 -15.030
   16   2HG   MET   3          2HG       MET   3  11.278   3.533 -13.764
   17   1HE   MET   3          1HE       MET   3   9.856   6.207 -12.209
   18   2HE   MET   3          2HE       MET   3  10.019   4.472 -12.477
   19   3HE   MET   3          3HE       MET   3  10.700   5.208 -11.026
   20    H    ASN   4           H        ASN   4  13.683   0.867 -10.715
   21    HA   ASN   4           HA       ASN   4  13.245  -1.333 -12.622
   22   1HB   ASN   4          1HB       ASN   4  15.446  -1.141 -11.205
   23   2HB   ASN   4          2HB       ASN   4  14.430  -1.753  -9.904
   24   1HD2  ASN   4          1HD2      ASN   4  16.699  -3.051 -11.071
   25   2HD2  ASN   4          2HD2      ASN   4  16.129  -4.529 -11.773
   26    H    ALA   5           H        ALA   5  11.539  -2.627 -12.311
   27    HA   ALA   5           HA       ALA   5   9.735  -1.829 -10.157
   28   1HB   ALA   5          1HB       ALA   5   9.331  -2.738 -12.923
   29   2HB   ALA   5          2HB       ALA   5   8.148  -3.311 -11.746
   30   3HB   ALA   5          3HB       ALA   5   8.420  -1.581 -11.954
   31    HA   PRO   6           HA       PRO   6   9.358  -6.677  -9.958
   32   1HB   PRO   6          1HB       PRO   6  11.920  -7.534 -11.169
   33   2HB   PRO   6          2HB       PRO   6  10.305  -8.227 -11.349
   34   1HG   PRO   6          1HG       PRO   6  11.431  -6.844 -13.330
   35   2HG   PRO   6          2HG       PRO   6   9.695  -6.711 -12.990
   36   1HD   PRO   6          1HD       PRO   6  11.913  -4.826 -12.293
   37   2HD   PRO   6          2HD       PRO   6  10.274  -4.469 -12.874
   38    H    ALA   7           H        ALA   7  12.645  -5.366  -9.916
   39    HA   ALA   7           HA       ALA   7  13.667  -6.928  -7.835
   40   1HB   ALA   7          1HB       ALA   7  15.100  -5.638  -9.298
   41   2HB   ALA   7          2HB       ALA   7  14.423  -4.133  -8.674
   42   3HB   ALA   7          3HB       ALA   7  15.381  -5.174  -7.619
   43    H    ARG   8           H        ARG   8  12.075  -3.756  -7.759
   44    HA   ARG   8           HA       ARG   8  12.415  -3.517  -4.925
   45   1HB   ARG   8          1HB       ARG   8  11.648  -1.797  -7.064
   46   2HB   ARG   8          2HB       ARG   8  10.383  -1.753  -5.843
   47   1HG   ARG   8          1HG       ARG   8  13.149  -0.749  -5.745
   48   2HG   ARG   8          2HG       ARG   8  11.686  -0.134  -4.974
   49   1HD   ARG   8          1HD       ARG   8  11.887  -2.265  -3.500
   50   2HD   ARG   8          2HD       ARG   8  13.562  -2.274  -4.050
   51    HE   ARG   8           HE       ARG   8  13.890  -0.169  -2.978
   52   1HH1  ARG   8          2HH1      ARG   8  10.812  -1.683  -2.283
   53   2HH1  ARG   8          1HH1      ARG   8  10.526  -0.751  -0.846
   54   1HH2  ARG   8          2HH2      ARG   8  13.528   1.046  -1.081
   55   2HH2  ARG   8          1HH2      ARG   8  12.067   0.809  -0.166
   56    H    ALA   9           H        ALA   9   9.855  -4.543  -7.091
   57    HA   ALA   9           HA       ALA   9   7.765  -4.563  -5.183
   58   1HB   ALA   9          1HB       ALA   9   6.483  -5.192  -6.904
   59   2HB   ALA   9          2HB       ALA   9   7.923  -4.941  -7.891
   60   3HB   ALA   9          3HB       ALA   9   7.529  -6.555  -7.303
   61    H    ALA  10           H        ALA  10  10.268  -6.840  -6.021
   62    HA   ALA  10           HA       ALA  10   9.225  -9.182  -4.949
   63   1HB   ALA  10          1HB       ALA  10  11.172  -9.477  -6.170
   64   2HB   ALA  10          2HB       ALA  10  12.020  -8.184  -5.322
   65   3HB   ALA  10          3HB       ALA  10  11.715  -9.720  -4.510
   66    H    ALA  11           H        ALA  11  11.281  -6.754  -3.343
   67    HA   ALA  11           HA       ALA  11  10.890  -8.067  -0.782
   68   1HB   ALA  11          1HB       ALA  11  12.879  -6.404  -1.924
   69   2HB   ALA  11          2HB       ALA  11  12.240  -5.582  -0.500
   70   3HB   ALA  11          3HB       ALA  11  12.891  -7.212  -0.357
   71    H    LYS  12           H        LYS  12   9.175  -5.871  -2.582
   72    HA   LYS  12           HA       LYS  12   8.322  -4.142  -0.433
   73   1HB   LYS  12          1HB       LYS  12   8.366  -3.897  -3.162
   74   2HB   LYS  12          2HB       LYS  12   6.665  -4.218  -2.851
   75   1HG   LYS  12          1HG       LYS  12   6.737  -2.360  -1.158
   76   2HG   LYS  12          2HG       LYS  12   8.339  -1.962  -1.789
   77   1HD   LYS  12          1HD       LYS  12   7.513  -1.228  -3.803
   78   2HD   LYS  12          2HD       LYS  12   6.089  -2.269  -3.715
   79   1HE   LYS  12          2HE       LYS  12   6.257  -0.210  -1.625
   80   2HE   LYS  12          1HE       LYS  12   6.072   0.407  -3.267
   81   1HZ   LYS  12          1HZ       LYS  12   4.066  -0.471  -1.655
   82   2HZ   LYS  12          2HZ       LYS  12   4.309  -1.788  -2.702
   83   3HZ   LYS  12          3HZ       LYS  12   3.961  -0.256  -3.334
   84    H    THR  13           H        THR  13   7.580  -7.272  -1.262
   85    HA   THR  13           HA       THR  13   4.857  -7.450  -1.539
   86    HB   THR  13           HB       THR  13   5.423  -9.728  -0.114
   87    HG1  THR  13           1HG      THR  13   7.756  -9.339  -1.637
   88   1HG2  THR  13          1HG2      THR  13   5.669 -10.772  -2.296
   89   2HG2  THR  13          2HG2      THR  13   6.003  -9.206  -3.032
   90   3HG2  THR  13          3HG2      THR  13   4.408  -9.540  -2.358
   91    H    ALA  14           H        ALA  14   6.653  -7.507   1.553
   92    HA   ALA  14           HA       ALA  14   4.424  -7.980   3.199
   93   1HB   ALA  14          1HB       ALA  14   6.803  -8.174   3.904
   94   2HB   ALA  14          2HB       ALA  14   6.884  -6.412   3.952
   95   3HB   ALA  14          3HB       ALA  14   5.794  -7.274   5.037
   96    H    ALA  15           H        ALA  15   5.908  -4.929   2.161
   97    HA   ALA  15           HA       ALA  15   4.081  -3.274   3.591
   98   1HB   ALA  15          1HB       ALA  15   5.955  -2.682   1.306
   99   2HB   ALA  15          2HB       ALA  15   5.017  -1.456   2.155
  100   3HB   ALA  15          3HB       ALA  15   6.233  -2.392   3.022
  101    H    ASP  16           H        ASP  16   4.201  -4.658   0.384
  102    HA   ASP  16           HA       ASP  16   2.090  -3.175  -0.781
  103   1HB   ASP  16          1HB       ASP  16   3.866  -5.209  -1.587
  104   2HB   ASP  16          2HB       ASP  16   2.248  -5.853  -1.837
  105    H    ALA  17           H        ALA  17   2.222  -6.178   1.054
  106    HA   ALA  17           HA       ALA  17  -0.461  -6.952   0.760
  107   1HB   ALA  17          1HB       ALA  17   1.779  -7.901   2.136
  108   2HB   ALA  17          2HB       ALA  17   0.551  -7.629   3.370
  109   3HB   ALA  17          3HB       ALA  17   0.203  -8.676   1.996
  110    H    LEU  18           H        LEU  18   1.127  -4.806   3.085
  111    HA   LEU  18           HA       LEU  18  -1.185  -4.278   4.637
  112   1HB   LEU  18          1HB       LEU  18   1.060  -3.775   5.450
  113   2HB   LEU  18          2HB       LEU  18   1.278  -2.590   4.175
  114    HG   LEU  18           HG       LEU  18  -1.073  -1.867   5.593
  115   1HD1  LEU  18          1HD1      LEU  18  -0.276  -3.243   7.433
  116   2HD1  LEU  18          2HD1      LEU  18   1.275  -2.402   7.402
  117   3HD1  LEU  18          3HD1      LEU  18  -0.194  -1.529   7.843
  118   1HD2  LEU  18          1HD2      LEU  18  -0.083   0.002   4.872
  119   2HD2  LEU  18          2HD2      LEU  18   0.883  -0.093   6.346
  120   3HD2  LEU  18          3HD2      LEU  18   1.513  -0.755   4.837
  121    H    ALA  19           H        ALA  19   0.224  -2.756   1.784
  122    HA   ALA  19           HA       ALA  19  -1.526  -0.569   1.591
  123   1HB   ALA  19          1HB       ALA  19  -0.923  -1.080  -1.006
  124   2HB   ALA  19          2HB       ALA  19   0.129  -0.207   0.110
  125   3HB   ALA  19          3HB       ALA  19   0.383  -1.929  -0.177
  126    H    ALA  20           H        ALA  20  -1.724  -3.866   0.333
  127    HA   ALA  20           HA       ALA  20  -4.170  -3.551  -1.052
  128   1HB   ALA  20          1HB       ALA  20  -4.100  -6.203  -0.311
  129   2HB   ALA  20          2HB       ALA  20  -3.395  -5.514  -1.772
  130   3HB   ALA  20          3HB       ALA  20  -2.398  -5.743  -0.335
  131    H    ALA  21           H        ALA  21  -3.374  -4.396   2.272
  132    HA   ALA  21           HA       ALA  21  -6.004  -5.080   3.091
  133   1HB   ALA  21          1HB       ALA  21  -3.589  -5.330   4.239
  134   2HB   ALA  21          2HB       ALA  21  -4.182  -3.910   5.097
  135   3HB   ALA  21          3HB       ALA  21  -5.104  -5.412   5.139
  136    H    LYS  22           H        LYS  22  -4.269  -2.063   2.801
  137    HA   LYS  22           HA       LYS  22  -6.291  -0.503   4.128
  138   1HB   LYS  22          1HB       LYS  22  -3.946   0.256   2.374
  139   2HB   LYS  22          2HB       LYS  22  -5.038   1.438   3.078
  140   1HG   LYS  22          1HG       LYS  22  -3.045  -0.327   4.435
  141   2HG   LYS  22          2HG       LYS  22  -3.248   1.420   4.550
  142   1HD   LYS  22          1HD       LYS  22  -5.498  -0.283   5.467
  143   2HD   LYS  22          2HD       LYS  22  -4.047  -0.250   6.469
  144   1HE   LYS  22          2HE       LYS  22  -4.775   1.649   7.356
  145   2HE   LYS  22          1HE       LYS  22  -4.561   2.416   5.783
  146   1HZ   LYS  22          1HZ       LYS  22  -7.012   0.886   6.162
  147   2HZ   LYS  22          2HZ       LYS  22  -6.763   2.355   5.354
  148   3HZ   LYS  22          3HZ       LYS  22  -6.887   2.331   7.044
  149    H    LYS  23           H        LYS  23  -5.593  -1.589   0.911
  150    HA   LYS  23           HA       LYS  23  -7.237   0.182  -0.539
  151   1HB   LYS  23          1HB       LYS  23  -5.856  -2.373  -1.046
  152   2HB   LYS  23          2HB       LYS  23  -7.263  -2.069  -2.057
  153   1HG   LYS  23          1HG       LYS  23  -5.082  -0.070  -1.684
  154   2HG   LYS  23          2HG       LYS  23  -5.031  -1.300  -2.950
  155   1HD   LYS  23          1HD       LYS  23  -7.555   0.186  -2.789
  156   2HD   LYS  23          2HD       LYS  23  -6.156   1.173  -3.212
  157   1HE   LYS  23          2HE       LYS  23  -6.147   0.368  -5.281
  158   2HE   LYS  23          1HE       LYS  23  -6.084  -1.289  -4.678
  159   1HZ   LYS  23          1HZ       LYS  23  -8.676   0.000  -4.502
  160   2HZ   LYS  23          2HZ       LYS  23  -8.274  -1.571  -4.997
  161   3HZ   LYS  23          3HZ       LYS  23  -8.120  -0.281  -6.081
  162    H    THR  24           H        THR  24  -7.795  -3.014   0.793
  163    HA   THR  24           HA       THR  24 -10.261  -3.568  -0.371
  164    HB   THR  24           HB       THR  24 -10.341  -4.766   2.166
  165    HG1  THR  24           1HG      THR  24  -7.693  -4.943   1.134
  166   1HG2  THR  24          1HG2      THR  24  -9.550  -5.571  -0.596
  167   2HG2  THR  24          2HG2      THR  24 -10.922  -6.097   0.375
  168   3HG2  THR  24          3HG2      THR  24  -9.305  -6.703   0.732
  169    H    ALA  25           H        ALA  25  -9.531  -1.652   2.455
  170    HA   ALA  25           HA       ALA  25 -12.114  -1.480   3.554
  171   1HB   ALA  25          1HB       ALA  25 -10.028  -0.770   4.698
  172   2HB   ALA  25          2HB       ALA  25  -9.974   0.641   3.642
  173   3HB   ALA  25          3HB       ALA  25 -11.316   0.433   4.769
  174    H    ALA  26           H        ALA  26 -10.432   0.655   1.257
  175    HA   ALA  26           HA       ALA  26 -12.764   2.313   0.893
  176   1HB   ALA  26          1HB       ALA  26 -10.095   2.281  -0.507
  177   2HB   ALA  26          2HB       ALA  26 -11.362   3.473  -0.793
  178   3HB   ALA  26          3HB       ALA  26 -10.598   3.361   0.792
  179    H    ASP  27           H        ASP  27 -11.194  -0.338  -0.735
  180    HA   ASP  27           HA       ASP  27 -12.400  -0.183  -3.252
  181   1HB   ASP  27          1HB       ASP  27 -10.515  -1.667  -2.794
  182   2HB   ASP  27          2HB       ASP  27 -11.506  -2.619  -1.692
  183    H    ALA  28           H        ALA  28 -13.507  -1.634  -0.248
  184    HA   ALA  28           HA       ALA  28 -15.792  -2.944  -1.166
  185   1HB   ALA  28          1HB       ALA  28 -16.635  -2.456   1.216
  186   2HB   ALA  28          2HB       ALA  28 -15.165  -3.414   1.032
  187   3HB   ALA  28          3HB       ALA  28 -15.057  -1.708   1.464
  188    H    ALA  29           H        ALA  29 -15.321   0.405  -0.143
  189    HA   ALA  29           HA       ALA  29 -18.043   1.178  -0.439
  190   1HB   ALA  29          1HB       ALA  29 -15.674   3.029  -0.561
  191   2HB   ALA  29          2HB       ALA  29 -17.316   3.391  -0.030
  192   3HB   ALA  29          3HB       ALA  29 -16.280   2.353   0.950
  193    H    ALA  30           H        ALA  30 -15.246   1.180  -2.559
  194    HA   ALA  30           HA       ALA  30 -16.357   2.731  -4.646
  195   1HB   ALA  30          1HB       ALA  30 -14.378   0.571  -5.216
  196   2HB   ALA  30          2HB       ALA  30 -14.466   2.214  -5.852
  197   3HB   ALA  30          3HB       ALA  30 -13.898   1.935  -4.207
  198    H    ALA  31           H        ALA  31 -16.502  -0.683  -3.844
  199    HA   ALA  31           HA       ALA  31 -17.574  -1.564  -6.328
  200   1HB   ALA  31          1HB       ALA  31 -18.000  -3.663  -5.188
  201   2HB   ALA  31          2HB       ALA  31 -16.395  -3.055  -4.779
  202   3HB   ALA  31          3HB       ALA  31 -17.720  -2.892  -3.627
  203    H    ALA  32           H        ALA  32 -18.931   0.262  -3.879
  204    HA   ALA  32           HA       ALA  32 -21.618  -0.791  -4.109
  205   1HB   ALA  32          1HB       ALA  32 -20.434   1.544  -2.627
  206   2HB   ALA  32          2HB       ALA  32 -22.170   1.236  -2.691
  207   3HB   ALA  32          3HB       ALA  32 -21.090   0.043  -1.969
  208    H    ALA  33           H        ALA  33 -19.706   1.154  -6.005
  209    HA   ALA  33           HA       ALA  33 -21.554   3.186  -6.756
  210   1HB   ALA  33          1HB       ALA  33 -19.860   4.006  -7.975
  211   2HB   ALA  33          2HB       ALA  33 -18.888   2.796  -7.139
  212   3HB   ALA  33          3HB       ALA  33 -19.532   2.455  -8.744
  213    H    ALA  34           H        ALA  34 -20.905  -0.062  -7.881
  214    HA   ALA  34           HA       ALA  34 -22.746   0.291 -10.134
  215   1HB   ALA  34          1HB       ALA  34 -21.345  -2.291  -9.626
  216   2HB   ALA  34          2HB       ALA  34 -21.760  -1.507 -11.154
  217   3HB   ALA  34          3HB       ALA  34 -20.402  -0.913 -10.198
  218    H    ALA  35           H        ALA  35 -23.217  -0.144  -7.074
  219    HA   ALA  35           HA       ALA  35 -25.044  -2.431  -7.270
  220   1HB   ALA  35          1HB       ALA  35 -23.563  -1.159  -5.018
  221   2HB   ALA  35          2HB       ALA  35 -25.104  -1.946  -4.674
  222   3HB   ALA  35          3HB       ALA  35 -23.788  -2.868  -5.401
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1  18.392   9.214  -5.706
    2   2H    GLY   1          2H        GLY   1  19.942   9.207  -6.396
    3   3H    GLY   1          3H        GLY   1  19.731   9.715  -4.794
    4   1HA   GLY   1          2HA       GLY   1  18.809   7.030  -5.434
    5   2HA   GLY   1          1HA       GLY   1  20.550   7.285  -5.432
    6    H    SER   2           H        SER   2  17.966   8.686  -3.419
    7    HA   SER   2           HA       SER   2  19.540   8.007  -1.052
    8   1HB   SER   2          1HB       SER   2  17.014   9.464  -0.667
    9   2HB   SER   2          2HB       SER   2  18.638   9.853  -0.097
   10    HG   SER   2           HG       SER   2  19.023  10.434  -2.418
   11    H    MET   3           H        MET   3  18.598   5.759  -2.128
   12    HA   MET   3           HA       MET   3  16.659   4.863  -0.149
   13   1HB   MET   3          1HB       MET   3  16.086   5.148  -2.999
   14   2HB   MET   3          2HB       MET   3  15.834   3.505  -2.423
   15   1HG   MET   3          1HG       MET   3  14.320   4.308  -0.715
   16   2HG   MET   3          2HG       MET   3  14.607   5.972  -1.217
   17   1HE   MET   3          1HE       MET   3  10.980   5.372  -2.153
   18   2HE   MET   3          2HE       MET   3  12.137   5.845  -0.905
   19   3HE   MET   3          3HE       MET   3  11.977   6.809  -2.372
   20    H    ASN   4           H        ASN   4  17.429   3.076   0.747
   21    HA   ASN   4           HA       ASN   4  19.634   1.673  -0.478
   22   1HB   ASN   4          1HB       ASN   4  18.544   0.331   1.852
   23   2HB   ASN   4          2HB       ASN   4  20.141   1.027   1.611
   24   1HD2  ASN   4          1HD2      ASN   4  20.533   3.152   2.265
   25   2HD2  ASN   4          2HD2      ASN   4  19.468   3.980   3.357
   26    H    ALA   5           H        ALA   5  19.445   0.047  -1.811
   27    HA   ALA   5           HA       ALA   5  17.016  -0.899  -2.762
   28   1HB   ALA   5          1HB       ALA   5  18.217  -2.344  -4.143
   29   2HB   ALA   5          2HB       ALA   5  19.307  -0.987  -3.863
   30   3HB   ALA   5          3HB       ALA   5  19.540  -2.502  -2.987
   31    HA   PRO   6           HA       PRO   6  17.676  -5.005  -0.132
   32   1HB   PRO   6          1HB       PRO   6  19.118  -3.814   2.180
   33   2HB   PRO   6          2HB       PRO   6  19.310  -5.403   1.431
   34   1HG   PRO   6          1HG       PRO   6  21.124  -3.494   1.045
   35   2HG   PRO   6          2HG       PRO   6  20.654  -4.583  -0.275
   36   1HD   PRO   6          1HD       PRO   6  19.846  -1.747   0.226
   37   2HD   PRO   6          2HD       PRO   6  20.226  -2.559  -1.307
   38    H    ALA   7           H        ALA   7  17.543  -1.882   1.558
   39    HA   ALA   7           HA       ALA   7  15.626  -2.695   3.489
   40   1HB   ALA   7          1HB       ALA   7  15.315   0.006   3.356
   41   2HB   ALA   7          2HB       ALA   7  16.544  -0.826   4.310
   42   3HB   ALA   7          3HB       ALA   7  16.943  -0.201   2.709
   43    H    ARG   8           H        ARG   8  15.379  -1.003   0.388
   44    HA   ARG   8           HA       ARG   8  12.593  -0.559   0.489
   45   1HB   ARG   8          1HB       ARG   8  14.693  -0.493  -1.604
   46   2HB   ARG   8          2HB       ARG   8  13.033  -0.653  -2.159
   47   1HG   ARG   8          1HG       ARG   8  13.895   1.500  -0.255
   48   2HG   ARG   8          2HG       ARG   8  13.956   1.688  -2.008
   49   1HD   ARG   8          1HD       ARG   8  11.413   0.713  -0.858
   50   2HD   ARG   8          2HD       ARG   8  11.835   2.394  -0.533
   51    HE   ARG   8           HE       ARG   8  12.187   2.360  -3.139
   52   1HH1  ARG   8          2HH1      ARG   8   9.601   0.921  -1.266
   53   2HH1  ARG   8          1HH1      ARG   8   8.440   1.032  -2.555
   54   1HH2  ARG   8          2HH2      ARG   8  10.667   2.517  -4.830
   55   2HH2  ARG   8          1HH2      ARG   8   9.039   1.935  -4.584
   56    H    ALA   9           H        ALA   9  14.540  -3.211  -0.799
   57    HA   ALA   9           HA       ALA   9  12.405  -4.638  -1.984
   58   1HB   ALA   9          1HB       ALA   9  14.461  -5.308  -2.775
   59   2HB   ALA   9          2HB       ALA   9  15.190  -5.323  -1.169
   60   3HB   ALA   9          3HB       ALA   9  14.081  -6.608  -1.646
   61    H    ALA  10           H        ALA  10  13.818  -4.692   1.250
   62    HA   ALA  10           HA       ALA  10  12.286  -6.938   2.148
   63   1HB   ALA  10          1HB       ALA  10  13.030  -6.011   4.447
   64   2HB   ALA  10          2HB       ALA  10  14.251  -6.647   3.344
   65   3HB   ALA  10          3HB       ALA  10  14.022  -4.904   3.495
   66    H    ALA  11           H        ALA  11  11.626  -3.635   1.690
   67    HA   ALA  11           HA       ALA  11   9.415  -3.591   3.593
   68   1HB   ALA  11          1HB       ALA  11   9.258  -1.287   3.192
   69   2HB   ALA  11          2HB       ALA  11  10.990  -1.624   3.160
   70   3HB   ALA  11          3HB       ALA  11  10.104  -1.407   1.650
   71    H    LYS  12           H        LYS  12  10.021  -4.262   0.296
   72    HA   LYS  12           HA       LYS  12   7.617  -3.476  -0.909
   73   1HB   LYS  12          1HB       LYS  12   9.786  -4.326  -1.996
   74   2HB   LYS  12          2HB       LYS  12   9.147  -5.939  -1.720
   75   1HG   LYS  12          1HG       LYS  12   7.090  -4.457  -2.943
   76   2HG   LYS  12          2HG       LYS  12   8.574  -4.108  -3.830
   77   1HD   LYS  12          1HD       LYS  12   8.830  -6.267  -4.526
   78   2HD   LYS  12          2HD       LYS  12   8.003  -6.934  -3.117
   79   1HE   LYS  12          2HE       LYS  12   6.147  -5.354  -4.587
   80   2HE   LYS  12          1HE       LYS  12   6.964  -6.439  -5.712
   81   1HZ   LYS  12          1HZ       LYS  12   4.860  -7.083  -4.105
   82   2HZ   LYS  12          2HZ       LYS  12   6.192  -7.750  -3.287
   83   3HZ   LYS  12          3HZ       LYS  12   5.885  -8.187  -4.894
   84    H    THR  13           H        THR  13   8.493  -6.432   0.798
   85    HA   THR  13           HA       THR  13   6.190  -7.931   0.257
   86    HB   THR  13           HB       THR  13   7.110  -8.481   2.901
   87    HG1  THR  13           1HG      THR  13   9.299  -8.484   2.658
   88   1HG2  THR  13          1HG2      THR  13   7.285 -10.589   2.085
   89   2HG2  THR  13          2HG2      THR  13   8.155 -10.071   0.639
   90   3HG2  THR  13          3HG2      THR  13   6.399  -9.903   0.719
   91    H    ALA  14           H        ALA  14   6.953  -5.681   2.891
   92    HA   ALA  14           HA       ALA  14   4.511  -6.053   4.290
   93   1HB   ALA  14          1HB       ALA  14   6.352  -5.218   5.523
   94   2HB   ALA  14          2HB       ALA  14   6.593  -3.883   4.395
   95   3HB   ALA  14          3HB       ALA  14   5.172  -3.910   5.440
   96    H    ALA  15           H        ALA  15   5.644  -3.610   1.991
   97    HA   ALA  15           HA       ALA  15   3.369  -1.971   2.057
   98   1HB   ALA  15          1HB       ALA  15   4.503  -0.736   0.590
   99   2HB   ALA  15          2HB       ALA  15   5.807  -1.908   0.789
  100   3HB   ALA  15          3HB       ALA  15   4.663  -2.076  -0.544
  101    H    ASP  16           H        ASP  16   4.151  -4.818   0.146
  102    HA   ASP  16           HA       ASP  16   2.014  -4.732  -1.663
  103   1HB   ASP  16          1HB       ASP  16   4.130  -6.378  -1.345
  104   2HB   ASP  16          2HB       ASP  16   2.855  -7.398  -0.686
  105    H    ALA  17           H        ALA  17   2.304  -6.431   1.445
  106    HA   ALA  17           HA       ALA  17  -0.329  -7.450   1.468
  107   1HB   ALA  17          1HB       ALA  17   0.214  -7.455   4.061
  108   2HB   ALA  17          2HB       ALA  17   0.978  -8.590   2.947
  109   3HB   ALA  17          3HB       ALA  17   1.845  -7.143   3.465
  110    H    LEU  18           H        LEU  18   1.098  -4.483   2.727
  111    HA   LEU  18           HA       LEU  18  -1.128  -3.559   4.169
  112   1HB   LEU  18          1HB       LEU  18   1.259  -2.674   4.195
  113   2HB   LEU  18          2HB       LEU  18   0.849  -1.799   2.732
  114    HG   LEU  18           HG       LEU  18  -1.120  -0.856   4.188
  115   1HD1  LEU  18          1HD1      LEU  18   0.625  -0.854   6.493
  116   2HD1  LEU  18          2HD1      LEU  18  -1.091  -1.242   6.378
  117   3HD1  LEU  18          3HD1      LEU  18   0.117  -2.488   6.067
  118   1HD2  LEU  18          1HD2      LEU  18   0.089   1.071   4.414
  119   2HD2  LEU  18          2HD2      LEU  18   1.535   0.228   4.973
  120   3HD2  LEU  18          3HD2      LEU  18   1.109   0.206   3.262
  121    H    ALA  19           H        ALA  19  -0.120  -2.942   0.815
  122    HA   ALA  19           HA       ALA  19  -2.301  -1.240   0.196
  123   1HB   ALA  19          1HB       ALA  19   0.000  -1.768  -1.052
  124   2HB   ALA  19          2HB       ALA  19  -1.070  -2.810  -1.989
  125   3HB   ALA  19          3HB       ALA  19  -1.400  -1.081  -1.876
  126    H    ALA  20           H        ALA  20  -1.860  -4.717   0.091
  127    HA   ALA  20           HA       ALA  20  -4.131  -5.370  -1.444
  128   1HB   ALA  20          1HB       ALA  20  -3.957  -7.591  -0.215
  129   2HB   ALA  20          2HB       ALA  20  -2.537  -7.075  -1.122
  130   3HB   ALA  20          3HB       ALA  20  -2.575  -6.898   0.632
  131    H    ALA  21           H        ALA  21  -3.687  -5.125   2.085
  132    HA   ALA  21           HA       ALA  21  -6.410  -5.634   2.720
  133   1HB   ALA  21          1HB       ALA  21  -5.153  -6.004   4.571
  134   2HB   ALA  21          2HB       ALA  21  -4.006  -4.720   4.184
  135   3HB   ALA  21          3HB       ALA  21  -5.572  -4.321   4.895
  136    H    LYS  22           H        LYS  22  -4.566  -2.764   1.979
  137    HA   LYS  22           HA       LYS  22  -6.462  -0.819   2.726
  138   1HB   LYS  22          1HB       LYS  22  -3.918  -0.832   1.571
  139   2HB   LYS  22          2HB       LYS  22  -4.948  -0.085   0.358
  140   1HG   LYS  22          1HG       LYS  22  -5.739   1.514   2.064
  141   2HG   LYS  22          2HG       LYS  22  -4.604   0.801   3.214
  142   1HD   LYS  22          1HD       LYS  22  -3.495   1.636   0.605
  143   2HD   LYS  22          2HD       LYS  22  -4.014   2.929   1.686
  144   1HE   LYS  22          2HE       LYS  22  -2.516   0.908   3.104
  145   2HE   LYS  22          1HE       LYS  22  -1.592   1.552   1.748
  146   1HZ   LYS  22          1HZ       LYS  22  -2.850   3.672   3.102
  147   2HZ   LYS  22          2HZ       LYS  22  -1.190   3.378   2.909
  148   3HZ   LYS  22          3HZ       LYS  22  -2.021   2.721   4.234
  149    H    LYS  23           H        LYS  23  -5.995  -2.695  -0.206
  150    HA   LYS  23           HA       LYS  23  -7.740  -1.354  -1.913
  151   1HB   LYS  23          1HB       LYS  23  -6.137  -3.129  -2.581
  152   2HB   LYS  23          2HB       LYS  23  -7.176  -4.323  -1.820
  153   1HG   LYS  23          1HG       LYS  23  -8.669  -2.712  -3.679
  154   2HG   LYS  23          2HG       LYS  23  -7.264  -3.444  -4.458
  155   1HD   LYS  23          1HD       LYS  23  -7.954  -5.644  -3.660
  156   2HD   LYS  23          2HD       LYS  23  -9.340  -4.922  -2.837
  157   1HE   LYS  23          2HE       LYS  23 -10.325  -5.629  -4.784
  158   2HE   LYS  23          1HE       LYS  23  -9.870  -3.986  -5.228
  159   1HZ   LYS  23          1HZ       LYS  23  -7.682  -5.557  -5.825
  160   2HZ   LYS  23          2HZ       LYS  23  -8.771  -4.863  -6.921
  161   3HZ   LYS  23          3HZ       LYS  23  -9.025  -6.446  -6.364
  162    H    THR  24           H        THR  24  -8.383  -4.016   0.369
  163    HA   THR  24           HA       THR  24 -11.100  -4.354  -0.301
  164    HB   THR  24           HB       THR  24 -10.652  -4.949   2.476
  165    HG1  THR  24           1HG      THR  24  -8.851  -6.449   2.045
  166   1HG2  THR  24          1HG2      THR  24 -10.516  -7.229   0.722
  167   2HG2  THR  24          2HG2      THR  24 -11.771  -6.117   0.176
  168   3HG2  THR  24          3HG2      THR  24 -11.806  -6.749   1.824
  169    H    ALA  25           H        ALA  25  -9.460  -2.231   1.969
  170    HA   ALA  25           HA       ALA  25 -11.826  -1.284   3.247
  171   1HB   ALA  25          1HB       ALA  25 -10.454   0.193   4.412
  172   2HB   ALA  25          2HB       ALA  25  -9.390  -1.177   4.085
  173   3HB   ALA  25          3HB       ALA  25  -9.275   0.283   3.102
  174    H    ALA  26           H        ALA  26  -9.777  -0.076   0.621
  175    HA   ALA  26           HA       ALA  26 -11.199   2.322   0.159
  176   1HB   ALA  26          1HB       ALA  26 -10.010   2.403  -1.958
  177   2HB   ALA  26          2HB       ALA  26  -8.922   1.916  -0.659
  178   3HB   ALA  26          3HB       ALA  26  -9.547   0.710  -1.783
  179    H    ASP  27           H        ASP  27 -11.563  -0.949  -1.060
  180    HA   ASP  27           HA       ASP  27 -13.510  -0.427  -3.034
  181   1HB   ASP  27          1HB       ASP  27 -12.196  -2.558  -2.765
  182   2HB   ASP  27          2HB       ASP  27 -13.234  -2.956  -1.401
  183    H    ALA  28           H        ALA  28 -13.748  -1.220   0.400
  184    HA   ALA  28           HA       ALA  28 -16.578  -1.267   0.514
  185   1HB   ALA  28          1HB       ALA  28 -15.603  -0.454   3.027
  186   2HB   ALA  28          2HB       ALA  28 -16.070  -2.078   2.517
  187   3HB   ALA  28          3HB       ALA  28 -14.396  -1.547   2.346
  188    H    ALA  29           H        ALA  29 -14.170   1.269   1.004
  189    HA   ALA  29           HA       ALA  29 -15.945   3.303   1.821
  190   1HB   ALA  29          1HB       ALA  29 -13.624   3.592   2.249
  191   2HB   ALA  29          2HB       ALA  29 -13.223   3.414   0.541
  192   3HB   ALA  29          3HB       ALA  29 -14.092   4.845   1.097
  193    H    ALA  30           H        ALA  30 -15.100   2.025  -1.309
  194    HA   ALA  30           HA       ALA  30 -16.099   4.163  -2.883
  195   1HB   ALA  30          1HB       ALA  30 -16.235   2.405  -4.681
  196   2HB   ALA  30          2HB       ALA  30 -14.649   2.601  -3.931
  197   3HB   ALA  30          3HB       ALA  30 -15.679   1.243  -3.476
  198    H    ALA  31           H        ALA  31 -17.533   1.277  -1.486
  199    HA   ALA  31           HA       ALA  31 -20.103   1.665  -2.688
  200   1HB   ALA  31          1HB       ALA  31 -19.117  -0.529  -1.827
  201   2HB   ALA  31          2HB       ALA  31 -19.577   0.036  -0.222
  202   3HB   ALA  31          3HB       ALA  31 -20.810  -0.203  -1.461
  203    H    ALA  32           H        ALA  32 -18.810   2.090   0.596
  204    HA   ALA  32           HA       ALA  32 -21.181   3.552   1.425
  205   1HB   ALA  32          1HB       ALA  32 -19.124   2.068   2.730
  206   2HB   ALA  32          2HB       ALA  32 -19.170   3.697   3.403
  207   3HB   ALA  32          3HB       ALA  32 -20.626   2.704   3.400
  208    H    ALA  33           H        ALA  33 -20.107   4.897  -0.604
  209    HA   ALA  33           HA       ALA  33 -18.176   6.854   0.258
  210   1HB   ALA  33          1HB       ALA  33 -18.105   7.561  -1.939
  211   2HB   ALA  33          2HB       ALA  33 -18.534   5.858  -2.110
  212   3HB   ALA  33          3HB       ALA  33 -19.779   7.102  -2.253
  213    H    ALA  34           H        ALA  34 -21.110   6.549   1.279
  214    HA   ALA  34           HA       ALA  34 -21.704   9.428   1.247
  215   1HB   ALA  34          1HB       ALA  34 -24.100   7.947   1.673
  216   2HB   ALA  34          2HB       ALA  34 -23.704   9.048   0.353
  217   3HB   ALA  34          3HB       ALA  34 -23.311   7.334   0.219
  218    H    ALA  35           H        ALA  35 -20.108   8.560   3.160
  219    HA   ALA  35           HA       ALA  35 -21.767   8.654   5.543
  220   1HB   ALA  35          1HB       ALA  35 -21.614   6.343   5.514
  221   2HB   ALA  35          2HB       ALA  35 -19.986   6.356   4.835
  222   3HB   ALA  35          3HB       ALA  35 -20.242   6.797   6.524
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  30.103 -12.490   6.413
    2   2H    GLY   1          2H        GLY   1  29.165 -12.937   7.753
    3   3H    GLY   1          3H        GLY   1  30.803 -12.546   7.955
    4   1HA   GLY   1          2HA       GLY   1  30.028 -10.550   8.558
    5   2HA   GLY   1          1HA       GLY   1  29.945 -10.305   6.818
    6    H    SER   2           H        SER   2  28.321  -9.187   9.019
    7    HA   SER   2           HA       SER   2  25.692 -10.335   8.548
    8   1HB   SER   2          1HB       SER   2  25.417  -8.030  10.100
    9   2HB   SER   2          2HB       SER   2  25.479  -9.691  10.687
   10    HG   SER   2           HG       SER   2  27.119  -7.895  11.375
   11    H    MET   3           H        MET   3  25.482  -9.793   6.322
   12    HA   MET   3           HA       MET   3  25.421  -6.945   5.648
   13   1HB   MET   3          1HB       MET   3  25.480  -9.477   4.032
   14   2HB   MET   3          2HB       MET   3  24.983  -7.961   3.296
   15   1HG   MET   3          1HG       MET   3  27.192  -7.924   2.791
   16   2HG   MET   3          2HG       MET   3  27.235  -7.105   4.350
   17   1HE   MET   3          1HE       MET   3  26.504 -10.604   3.398
   18   2HE   MET   3          2HE       MET   3  28.125 -11.018   2.840
   19   3HE   MET   3          3HE       MET   3  27.559 -11.593   4.409
   20    H    ASN   4           H        ASN   4  23.547  -5.851   5.349
   21    HA   ASN   4           HA       ASN   4  21.082  -7.256   5.909
   22   1HB   ASN   4          1HB       ASN   4  20.159  -4.855   5.333
   23   2HB   ASN   4          2HB       ASN   4  20.840  -5.235   6.907
   24   1HD2  ASN   4          1HD2      ASN   4  21.719  -3.408   7.538
   25   2HD2  ASN   4          2HD2      ASN   4  22.901  -2.493   6.655
   26    H    ALA   5           H        ALA   5  21.185  -8.574   4.067
   27    HA   ALA   5           HA       ALA   5  20.374  -7.288   1.564
   28   1HB   ALA   5          1HB       ALA   5  20.807 -10.140   1.334
   29   2HB   ALA   5          2HB       ALA   5  21.572  -8.807   0.467
   30   3HB   ALA   5          3HB       ALA   5  22.210  -9.325   2.029
   31    HA   PRO   6           HA       PRO   6  16.996 -10.751   2.299
   32   1HB   PRO   6          1HB       PRO   6  17.153 -11.113   5.232
   33   2HB   PRO   6          2HB       PRO   6  16.949 -12.320   3.959
   34   1HG   PRO   6          1HG       PRO   6  19.256 -12.087   5.271
   35   2HG   PRO   6          2HG       PRO   6  19.223 -12.445   3.534
   36   1HD   PRO   6          1HD       PRO   6  19.754  -9.843   4.924
   37   2HD   PRO   6          2HD       PRO   6  20.582 -10.560   3.527
   38    H    ALA   7           H        ALA   7  17.755  -8.069   4.278
   39    HA   ALA   7           HA       ALA   7  15.218  -7.525   5.386
   40   1HB   ALA   7          1HB       ALA   7  16.160  -5.638   6.211
   41   2HB   ALA   7          2HB       ALA   7  17.650  -6.469   5.760
   42   3HB   ALA   7          3HB       ALA   7  16.963  -5.240   4.692
   43    H    ARG   8           H        ARG   8  16.572  -7.073   2.233
   44    HA   ARG   8           HA       ARG   8  14.860  -5.050   1.266
   45   1HB   ARG   8          1HB       ARG   8  16.223  -7.294  -0.234
   46   2HB   ARG   8          2HB       ARG   8  15.506  -5.870  -0.975
   47   1HG   ARG   8          1HG       ARG   8  17.536  -5.382   1.114
   48   2HG   ARG   8          2HG       ARG   8  18.109  -6.087  -0.401
   49   1HD   ARG   8          1HD       ARG   8  16.441  -4.110  -1.280
   50   2HD   ARG   8          2HD       ARG   8  17.125  -3.391   0.176
   51    HE   ARG   8           HE       ARG   8  18.549  -4.111  -2.262
   52   1HH1  ARG   8          2HH1      ARG   8  18.687  -2.918   1.027
   53   2HH1  ARG   8          1HH1      ARG   8  20.302  -2.287   0.865
   54   1HH2  ARG   8          2HH2      ARG   8  20.652  -3.283  -2.493
   55   2HH2  ARG   8          1HH2      ARG   8  21.419  -2.476  -1.149
   56    H    ALA   9           H        ALA   9  14.596  -8.566   1.361
   57    HA   ALA   9           HA       ALA   9  12.194  -8.742  -0.124
   58   1HB   ALA   9          1HB       ALA   9  12.038 -11.008   0.768
   59   2HB   ALA   9          2HB       ALA   9  13.670 -10.654   0.201
   60   3HB   ALA   9          3HB       ALA   9  13.315 -10.642   1.927
   61    H    ALA  10           H        ALA  10  12.891  -8.202   3.265
   62    HA   ALA  10           HA       ALA  10  10.308  -8.752   4.280
   63   1HB   ALA  10          1HB       ALA  10  12.822  -7.764   5.293
   64   2HB   ALA  10          2HB       ALA  10  11.464  -6.873   5.984
   65   3HB   ALA  10          3HB       ALA  10  11.534  -8.631   6.132
   66    H    ALA  11           H        ALA  11  11.827  -5.844   3.021
   67    HA   ALA  11           HA       ALA  11   9.745  -4.055   3.730
   68   1HB   ALA  11          1HB       ALA  11  11.533  -2.792   3.207
   69   2HB   ALA  11          2HB       ALA  11  12.159  -3.969   2.052
   70   3HB   ALA  11          3HB       ALA  11  10.869  -2.865   1.575
   71    H    LYS  12           H        LYS  12  10.307  -6.191   1.022
   72    HA   LYS  12           HA       LYS  12   8.381  -5.113  -0.741
   73   1HB   LYS  12          1HB       LYS  12  10.312  -7.036  -0.928
   74   2HB   LYS  12          2HB       LYS  12   8.849  -8.008  -0.927
   75   1HG   LYS  12          1HG       LYS  12   8.638  -5.725  -2.698
   76   2HG   LYS  12          2HG       LYS  12   9.998  -6.773  -3.106
   77   1HD   LYS  12          1HD       LYS  12   8.604  -8.240  -4.033
   78   2HD   LYS  12          2HD       LYS  12   7.760  -8.418  -2.493
   79   1HE   LYS  12          2HE       LYS  12   6.363  -6.483  -3.043
   80   2HE   LYS  12          1HE       LYS  12   7.206  -6.312  -4.580
   81   1HZ   LYS  12          1HZ       LYS  12   5.774  -7.725  -5.459
   82   2HZ   LYS  12          2HZ       LYS  12   5.008  -7.949  -3.960
   83   3HZ   LYS  12          3HZ       LYS  12   6.307  -8.944  -4.408
   84    H    THR  13           H        THR  13   8.220  -7.740   1.654
   85    HA   THR  13           HA       THR  13   5.600  -8.573   1.075
   86    HB   THR  13           HB       THR  13   6.174  -8.847   3.886
   87    HG1  THR  13           1HG      THR  13   8.200 -10.043   2.361
   88   1HG2  THR  13          1HG2      THR  13   5.382 -10.898   3.455
   89   2HG2  THR  13          2HG2      THR  13   6.629 -11.197   2.244
   90   3HG2  THR  13          3HG2      THR  13   5.144 -10.361   1.792
   91    H    ALA  14           H        ALA  14   6.843  -6.175   3.352
   92    HA   ALA  14           HA       ALA  14   4.422  -5.573   4.637
   93   1HB   ALA  14          1HB       ALA  14   5.787  -4.323   5.861
   94   2HB   ALA  14          2HB       ALA  14   7.091  -4.673   4.726
   95   3HB   ALA  14          3HB       ALA  14   6.077  -3.250   4.490
   96    H    ALA  15           H        ALA  15   6.010  -4.083   1.836
   97    HA   ALA  15           HA       ALA  15   4.139  -2.021   1.448
   98   1HB   ALA  15          1HB       ALA  15   5.103  -2.478  -1.062
   99   2HB   ALA  15          2HB       ALA  15   5.903  -1.498   0.167
  100   3HB   ALA  15          3HB       ALA  15   6.366  -3.186  -0.055
  101    H    ASP  16           H        ASP  16   4.307  -5.313   0.150
  102    HA   ASP  16           HA       ASP  16   2.152  -5.020  -1.665
  103   1HB   ASP  16          1HB       ASP  16   4.029  -6.982  -1.105
  104   2HB   ASP  16          2HB       ASP  16   2.501  -7.729  -0.644
  105    H    ALA  17           H        ALA  17   2.346  -6.274   1.644
  106    HA   ALA  17           HA       ALA  17  -0.345  -7.056   1.875
  107   1HB   ALA  17          1HB       ALA  17   1.939  -6.799   3.615
  108   2HB   ALA  17          2HB       ALA  17   0.465  -6.265   4.424
  109   3HB   ALA  17          3HB       ALA  17   0.552  -7.882   3.731
  110    H    LEU  18           H        LEU  18   1.278  -3.996   2.584
  111    HA   LEU  18           HA       LEU  18  -0.910  -2.679   3.751
  112   1HB   LEU  18          1HB       LEU  18   1.733  -2.079   3.174
  113   2HB   LEU  18          2HB       LEU  18   0.828  -0.934   2.204
  114    HG   LEU  18           HG       LEU  18  -0.420  -0.321   4.335
  115   1HD1  LEU  18          1HD1      LEU  18   0.720  -0.810   6.437
  116   2HD1  LEU  18          2HD1      LEU  18   0.184  -2.291   5.640
  117   3HD1  LEU  18          3HD1      LEU  18   1.882  -1.821   5.575
  118   1HD2  LEU  18          1HD2      LEU  18   0.926   1.442   4.253
  119   2HD2  LEU  18          2HD2      LEU  18   2.208   0.531   5.050
  120   3HD2  LEU  18          3HD2      LEU  18   2.072   0.508   3.292
  121    H    ALA  19           H        ALA  19   0.120  -2.979   0.390
  122    HA   ALA  19           HA       ALA  19  -1.675  -1.114  -0.719
  123   1HB   ALA  19          1HB       ALA  19  -0.242  -1.601  -2.368
  124   2HB   ALA  19          2HB       ALA  19   0.122  -3.192  -1.700
  125   3HB   ALA  19          3HB       ALA  19  -1.307  -2.964  -2.707
  126    H    ALA  20           H        ALA  20  -1.932  -4.608  -0.187
  127    HA   ALA  20           HA       ALA  20  -4.430  -4.938  -1.458
  128   1HB   ALA  20          1HB       ALA  20  -2.922  -6.807  -1.026
  129   2HB   ALA  20          2HB       ALA  20  -3.166  -6.612   0.709
  130   3HB   ALA  20          3HB       ALA  20  -4.512  -7.101  -0.321
  131    H    ALA  21           H        ALA  21  -3.541  -4.415   1.926
  132    HA   ALA  21           HA       ALA  21  -6.057  -4.677   3.085
  133   1HB   ALA  21          1HB       ALA  21  -4.528  -2.613   4.391
  134   2HB   ALA  21          2HB       ALA  21  -4.923  -4.241   4.941
  135   3HB   ALA  21          3HB       ALA  21  -3.497  -3.973   3.936
  136    H    LYS  22           H        LYS  22  -4.479  -1.768   1.794
  137    HA   LYS  22           HA       LYS  22  -6.624  -0.023   2.495
  138   1HB   LYS  22          1HB       LYS  22  -4.014   0.190   1.274
  139   2HB   LYS  22          2HB       LYS  22  -5.190   1.151   0.389
  140   1HG   LYS  22          1HG       LYS  22  -4.559   2.699   1.909
  141   2HG   LYS  22          2HG       LYS  22  -5.834   1.918   2.847
  142   1HD   LYS  22          1HD       LYS  22  -4.127   1.938   4.383
  143   2HD   LYS  22          2HD       LYS  22  -3.868   0.363   3.632
  144   1HE   LYS  22          2HE       LYS  22  -1.739   1.346   3.724
  145   2HE   LYS  22          1HE       LYS  22  -2.264   1.555   2.056
  146   1HZ   LYS  22          1HZ       LYS  22  -2.074   3.738   2.260
  147   2HZ   LYS  22          2HZ       LYS  22  -1.408   3.519   3.802
  148   3HZ   LYS  22          3HZ       LYS  22  -3.077   3.770   3.628
  149    H    LYS  23           H        LYS  23  -5.673  -1.700  -0.461
  150    HA   LYS  23           HA       LYS  23  -7.407  -0.480  -2.265
  151   1HB   LYS  23          1HB       LYS  23  -5.714  -1.811  -3.180
  152   2HB   LYS  23          2HB       LYS  23  -6.095  -3.177  -2.147
  153   1HG   LYS  23          1HG       LYS  23  -8.329  -3.222  -3.468
  154   2HG   LYS  23          2HG       LYS  23  -7.431  -2.272  -4.655
  155   1HD   LYS  23          1HD       LYS  23  -5.876  -4.523  -3.724
  156   2HD   LYS  23          2HD       LYS  23  -7.431  -5.050  -4.369
  157   1HE   LYS  23          2HE       LYS  23  -6.287  -5.010  -6.320
  158   2HE   LYS  23          1HE       LYS  23  -6.744  -3.309  -6.278
  159   1HZ   LYS  23          1HZ       LYS  23  -4.143  -4.479  -5.439
  160   2HZ   LYS  23          2HZ       LYS  23  -4.574  -2.853  -5.206
  161   3HZ   LYS  23          3HZ       LYS  23  -4.427  -3.473  -6.775
  162    H    THR  24           H        THR  24  -7.912  -3.407  -0.317
  163    HA   THR  24           HA       THR  24 -10.557  -3.847  -1.286
  164    HB   THR  24           HB       THR  24  -9.696  -4.958   1.345
  165    HG1  THR  24           1HG      THR  24  -7.795  -5.300   0.308
  166   1HG2  THR  24          1HG2      THR  24 -10.518  -6.965  -0.404
  167   2HG2  THR  24          2HG2      THR  24 -11.557  -5.589  -0.779
  168   3HG2  THR  24          3HG2      THR  24 -11.480  -6.214   0.869
  169    H    ALA  25           H        ALA  25  -9.192  -2.055   1.391
  170    HA   ALA  25           HA       ALA  25 -11.522  -1.824   2.968
  171   1HB   ALA  25          1HB       ALA  25 -10.216   0.401   3.644
  172   2HB   ALA  25          2HB       ALA  25  -9.723  -1.199   4.197
  173   3HB   ALA  25          3HB       ALA  25  -8.904  -0.450   2.826
  174    H    ALA  26           H        ALA  26 -10.111   0.290   0.497
  175    HA   ALA  26           HA       ALA  26 -12.010   2.349   0.654
  176   1HB   ALA  26          1HB       ALA  26 -10.764   3.305  -0.940
  177   2HB   ALA  26          2HB       ALA  26  -9.692   1.919  -0.749
  178   3HB   ALA  26          3HB       ALA  26 -10.916   1.918  -2.017
  179    H    ASP  27           H        ASP  27 -11.945  -0.638  -1.204
  180    HA   ASP  27           HA       ASP  27 -14.069  -0.062  -2.952
  181   1HB   ASP  27          1HB       ASP  27 -12.315  -2.059  -2.847
  182   2HB   ASP  27          2HB       ASP  27 -13.651  -2.867  -2.031
  183    H    ALA  28           H        ALA  28 -14.013  -1.634   0.214
  184    HA   ALA  28           HA       ALA  28 -16.844  -2.138   0.204
  185   1HB   ALA  28          1HB       ALA  28 -16.512  -3.315   2.130
  186   2HB   ALA  28          2HB       ALA  28 -14.879  -3.373   1.462
  187   3HB   ALA  28          3HB       ALA  28 -15.273  -2.209   2.727
  188    H    ALA  29           H        ALA  29 -14.797   0.467   1.153
  189    HA   ALA  29           HA       ALA  29 -16.392   1.585   3.203
  190   1HB   ALA  29          1HB       ALA  29 -15.093   3.711   2.597
  191   2HB   ALA  29          2HB       ALA  29 -14.177   2.314   3.163
  192   3HB   ALA  29          3HB       ALA  29 -14.232   2.694   1.442
  193    H    ALA  30           H        ALA  30 -16.479   1.873  -0.285
  194    HA   ALA  30           HA       ALA  30 -18.051   4.197  -0.488
  195   1HB   ALA  30          1HB       ALA  30 -16.941   3.488  -2.432
  196   2HB   ALA  30          2HB       ALA  30 -17.611   1.860  -2.322
  197   3HB   ALA  30          3HB       ALA  30 -18.652   3.215  -2.759
  198    H    ALA  31           H        ALA  31 -18.886   0.848   0.092
  199    HA   ALA  31           HA       ALA  31 -21.677   1.160  -0.445
  200   1HB   ALA  31          1HB       ALA  31 -20.255  -1.006   1.097
  201   2HB   ALA  31          2HB       ALA  31 -21.910  -1.074   0.494
  202   3HB   ALA  31          3HB       ALA  31 -20.561  -1.013  -0.640
  203    H    ALA  32           H        ALA  32 -19.643   1.888   2.201
  204    HA   ALA  32           HA       ALA  32 -21.752   1.726   4.186
  205   1HB   ALA  32          1HB       ALA  32 -18.933   2.745   4.492
  206   2HB   ALA  32          2HB       ALA  32 -20.057   2.324   5.785
  207   3HB   ALA  32          3HB       ALA  32 -19.430   1.067   4.719
  208    H    ALA  33           H        ALA  33 -21.063   3.866   1.835
  209    HA   ALA  33           HA       ALA  33 -21.139   6.362   3.167
  210   1HB   ALA  33          1HB       ALA  33 -21.839   7.244   0.924
  211   2HB   ALA  33          2HB       ALA  33 -20.345   6.305   0.924
  212   3HB   ALA  33          3HB       ALA  33 -21.847   5.577   0.347
  213    H    ALA  34           H        ALA  34 -23.603   4.154   2.042
  214    HA   ALA  34           HA       ALA  34 -25.653   5.908   3.232
  215   1HB   ALA  34          1HB       ALA  34 -25.865   4.027   0.885
  216   2HB   ALA  34          2HB       ALA  34 -27.259   4.753   1.687
  217   3HB   ALA  34          3HB       ALA  34 -26.069   5.780   0.885
  218    H    ALA  35           H        ALA  35 -24.030   4.013   4.612
  219    HA   ALA  35           HA       ALA  35 -26.120   2.247   5.638
  220   1HB   ALA  35          1HB       ALA  35 -23.755   0.747   5.802
  221   2HB   ALA  35          2HB       ALA  35 -25.165   0.418   4.794
  222   3HB   ALA  35          3HB       ALA  35 -23.818   1.364   4.151
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  21.358 -21.107   4.039
    2   2H    GLY   1          2H        GLY   1  22.611 -20.678   2.980
    3   3H    GLY   1          3H        GLY   1  21.024 -20.814   2.403
    4   1HA   GLY   1          2HA       GLY   1  21.253 -18.968   4.583
    5   2HA   GLY   1          1HA       GLY   1  22.229 -18.512   3.194
    6    H    SER   2           H        SER   2  21.052 -16.842   2.368
    7    HA   SER   2           HA       SER   2  18.197 -17.300   1.865
    8   1HB   SER   2          1HB       SER   2  19.825 -14.752   1.833
    9   2HB   SER   2          2HB       SER   2  18.094 -14.849   1.510
   10    HG   SER   2           HG       SER   2  18.242 -14.363   3.636
   11    H    MET   3           H        MET   3  19.469 -18.811   0.173
   12    HA   MET   3           HA       MET   3  19.887 -17.307  -2.303
   13   1HB   MET   3          1HB       MET   3  21.310 -19.347  -1.445
   14   2HB   MET   3          2HB       MET   3  20.006 -20.296  -2.146
   15   1HG   MET   3          1HG       MET   3  21.965 -19.954  -3.639
   16   2HG   MET   3          2HG       MET   3  20.425 -19.431  -4.314
   17   1HE   MET   3          1HE       MET   3  21.979 -16.497  -5.984
   18   2HE   MET   3          2HE       MET   3  22.385 -18.212  -6.107
   19   3HE   MET   3          3HE       MET   3  20.703 -17.714  -5.944
   20    H    ASN   4           H        ASN   4  17.334 -18.284  -0.651
   21    HA   ASN   4           HA       ASN   4  15.805 -19.413  -2.861
   22   1HB   ASN   4          1HB       ASN   4  15.716 -19.984  -0.222
   23   2HB   ASN   4          2HB       ASN   4  14.458 -18.753  -0.303
   24   1HD2  ASN   4          1HD2      ASN   4  13.007 -20.469   0.295
   25   2HD2  ASN   4          2HD2      ASN   4  12.416 -21.557  -0.931
   26    H    ALA   5           H        ALA   5  14.500 -18.253  -4.097
   27    HA   ALA   5           HA       ALA   5  14.531 -15.462  -4.094
   28   1HB   ALA   5          1HB       ALA   5  12.245 -16.198  -5.514
   29   2HB   ALA   5          2HB       ALA   5  13.863 -15.914  -6.155
   30   3HB   ALA   5          3HB       ALA   5  13.370 -17.545  -5.693
   31    HA   PRO   6           HA       PRO   6   9.872 -15.644  -2.448
   32   1HB   PRO   6          1HB       PRO   6   9.611 -17.676  -0.548
   33   2HB   PRO   6          2HB       PRO   6   8.929 -17.687  -2.176
   34   1HG   PRO   6          1HG       PRO   6  11.432 -18.945  -1.159
   35   2HG   PRO   6          2HG       PRO   6  10.267 -19.556  -2.349
   36   1HD   PRO   6          1HD       PRO   6  12.617 -18.546  -3.116
   37   2HD   PRO   6          2HD       PRO   6  11.141 -18.240  -4.057
   38    H    ALA   7           H        ALA   7  12.600 -16.728  -0.485
   39    HA   ALA   7           HA       ALA   7  11.756 -15.431   1.910
   40   1HB   ALA   7          1HB       ALA   7  13.268 -16.919   2.610
   41   2HB   ALA   7          2HB       ALA   7  14.029 -17.022   1.022
   42   3HB   ALA   7          3HB       ALA   7  14.484 -15.734   2.138
   43    H    ARG   8           H        ARG   8  13.762 -14.518  -0.826
   44    HA   ARG   8           HA       ARG   8  14.948 -12.235   0.406
   45   1HB   ARG   8          1HB       ARG   8  14.636 -12.993  -2.501
   46   2HB   ARG   8          2HB       ARG   8  15.604 -11.641  -1.926
   47   1HG   ARG   8          1HG       ARG   8  17.146 -13.066  -0.864
   48   2HG   ARG   8          2HG       ARG   8  16.075 -14.461  -1.010
   49   1HD   ARG   8          1HD       ARG   8  16.493 -14.705  -3.282
   50   2HD   ARG   8          2HD       ARG   8  17.043 -13.039  -3.457
   51    HE   ARG   8           HE       ARG   8  18.660 -14.856  -1.835
   52   1HH1  ARG   8          2HH1      ARG   8  18.239 -13.098  -4.841
   53   2HH1  ARG   8          1HH1      ARG   8  19.913 -13.242  -5.302
   54   1HH2  ARG   8          2HH2      ARG   8  20.840 -15.053  -2.447
   55   2HH2  ARG   8          1HH2      ARG   8  21.393 -14.359  -3.937
   56    H    ALA   9           H        ALA   9  11.979 -12.796  -1.304
   57    HA   ALA   9           HA       ALA   9  11.458  -9.947  -1.624
   58   1HB   ALA   9          1HB       ALA   9   9.912 -12.386  -2.476
   59   2HB   ALA   9          2HB       ALA   9   9.370 -10.729  -2.742
   60   3HB   ALA   9          3HB       ALA   9  10.859 -11.301  -3.496
   61    H    ALA  10           H        ALA  10  10.962 -12.290   0.735
   62    HA   ALA  10           HA       ALA  10   8.322 -12.178   1.460
   63   1HB   ALA  10          1HB       ALA  10  10.122 -12.296   3.756
   64   2HB   ALA  10          2HB       ALA  10   8.935 -13.463   3.175
   65   3HB   ALA  10          3HB       ALA  10  10.538 -13.394   2.444
   66    H    ALA  11           H        ALA  11  10.878  -9.977   2.658
   67    HA   ALA  11           HA       ALA  11   9.022  -8.672   4.436
   68   1HB   ALA  11          1HB       ALA  11  11.216  -8.776   5.259
   69   2HB   ALA  11          2HB       ALA  11  11.904  -8.191   3.741
   70   3HB   ALA  11          3HB       ALA  11  10.995  -7.093   4.780
   71    H    LYS  12           H        LYS  12   9.919  -8.339   1.167
   72    HA   LYS  12           HA       LYS  12   9.340  -5.522   0.962
   73   1HB   LYS  12          1HB       LYS  12  10.057  -7.699  -0.962
   74   2HB   LYS  12          2HB       LYS  12   9.357  -6.211  -1.581
   75   1HG   LYS  12          1HG       LYS  12  11.728  -6.166   0.245
   76   2HG   LYS  12          2HG       LYS  12  11.904  -6.404  -1.494
   77   1HD   LYS  12          1HD       LYS  12  10.152  -4.237  -1.186
   78   2HD   LYS  12          2HD       LYS  12  11.454  -3.978  -0.023
   79   1HE   LYS  12          2HE       LYS  12  12.817  -4.781  -2.254
   80   2HE   LYS  12          1HE       LYS  12  11.485  -3.854  -2.945
   81   1HZ   LYS  12          1HZ       LYS  12  12.091  -1.994  -1.524
   82   2HZ   LYS  12          2HZ       LYS  12  13.397  -2.451  -2.505
   83   3HZ   LYS  12          3HZ       LYS  12  13.376  -2.887  -0.863
   84    H    THR  13           H        THR  13   7.787  -8.528  -0.161
   85    HA   THR  13           HA       THR  13   5.462  -7.258  -1.145
   86    HB   THR  13           HB       THR  13   4.956  -9.968  -0.239
   87    HG1  THR  13           1HG      THR  13   6.627 -10.825  -1.760
   88   1HG2  THR  13          1HG2      THR  13   4.036 -10.167  -2.317
   89   2HG2  THR  13          2HG2      THR  13   5.360  -9.307  -3.105
   90   3HG2  THR  13          3HG2      THR  13   4.106  -8.407  -2.250
   91    H    ALA  14           H        ALA  14   6.453  -8.171   2.035
   92    HA   ALA  14           HA       ALA  14   3.947  -8.194   3.323
   93   1HB   ALA  14          1HB       ALA  14   5.322  -8.809   4.965
   94   2HB   ALA  14          2HB       ALA  14   6.724  -8.178   4.099
   95   3HB   ALA  14          3HB       ALA  14   5.778  -7.113   5.138
   96    H    ALA  15           H        ALA  15   6.164  -5.599   2.446
   97    HA   ALA  15           HA       ALA  15   4.612  -3.535   3.687
   98   1HB   ALA  15          1HB       ALA  15   6.669  -3.205   1.505
   99   2HB   ALA  15          2HB       ALA  15   6.125  -1.994   2.665
  100   3HB   ALA  15          3HB       ALA  15   7.075  -3.375   3.212
  101    H    ASP  16           H        ASP  16   4.886  -4.947   0.490
  102    HA   ASP  16           HA       ASP  16   3.241  -3.172  -0.926
  103   1HB   ASP  16          1HB       ASP  16   4.723  -4.969  -1.899
  104   2HB   ASP  16          2HB       ASP  16   3.499  -6.141  -1.427
  105    H    ALA  17           H        ALA  17   2.530  -5.859   1.173
  106    HA   ALA  17           HA       ALA  17  -0.180  -6.234   0.497
  107   1HB   ALA  17          1HB       ALA  17   1.649  -7.341   2.335
  108   2HB   ALA  17          2HB       ALA  17   0.234  -6.824   3.252
  109   3HB   ALA  17          3HB       ALA  17   0.047  -7.935   1.895
  110    H    LEU  18           H        LEU  18   1.428  -3.876   2.471
  111    HA   LEU  18           HA       LEU  18  -0.785  -3.027   4.010
  112   1HB   LEU  18          1HB       LEU  18   1.202  -2.223   4.847
  113   2HB   LEU  18          2HB       LEU  18   1.859  -1.880   3.259
  114    HG   LEU  18           HG       LEU  18  -0.281  -0.101   3.554
  115   1HD1  LEU  18          1HD1      LEU  18  -0.578  -0.059   5.790
  116   2HD1  LEU  18          2HD1      LEU  18   1.030  -0.698   6.130
  117   3HD1  LEU  18          3HD1      LEU  18   0.826   1.007   5.726
  118   1HD2  LEU  18          1HD2      LEU  18   2.575  -0.085   3.159
  119   2HD2  LEU  18          2HD2      LEU  18   1.351   1.043   2.570
  120   3HD2  LEU  18          3HD2      LEU  18   2.069   1.275   4.166
  121    H    ALA  19           H        ALA  19   0.394  -2.187   0.806
  122    HA   ALA  19           HA       ALA  19  -1.416  -0.046   0.338
  123   1HB   ALA  19          1HB       ALA  19  -0.536   0.046  -1.786
  124   2HB   ALA  19          2HB       ALA  19   0.769  -0.776  -0.931
  125   3HB   ALA  19          3HB       ALA  19  -0.367  -1.705  -1.908
  126    H    ALA  20           H        ALA  20  -1.538  -3.515  -0.121
  127    HA   ALA  20           HA       ALA  20  -3.969  -3.579  -1.598
  128   1HB   ALA  20          1HB       ALA  20  -3.966  -6.019  -0.687
  129   2HB   ALA  20          2HB       ALA  20  -2.731  -5.515  -1.842
  130   3HB   ALA  20          3HB       ALA  20  -2.344  -5.611  -0.124
  131    H    ALA  21           H        ALA  21  -3.150  -3.593   1.804
  132    HA   ALA  21           HA       ALA  21  -5.670  -4.278   2.853
  133   1HB   ALA  21          1HB       ALA  21  -4.848  -3.056   4.909
  134   2HB   ALA  21          2HB       ALA  21  -3.806  -4.353   4.320
  135   3HB   ALA  21          3HB       ALA  21  -3.394  -2.669   3.992
  136    H    LYS  22           H        LYS  22  -4.290  -1.230   1.789
  137    HA   LYS  22           HA       LYS  22  -6.348   0.457   2.748
  138   1HB   LYS  22          1HB       LYS  22  -4.500   0.857   0.389
  139   2HB   LYS  22          2HB       LYS  22  -5.443   2.114   1.177
  140   1HG   LYS  22          1HG       LYS  22  -3.907   0.815   3.170
  141   2HG   LYS  22          2HG       LYS  22  -2.844   1.176   1.808
  142   1HD   LYS  22          1HD       LYS  22  -4.698   3.324   2.607
  143   2HD   LYS  22          2HD       LYS  22  -3.425   2.934   3.766
  144   1HE   LYS  22          2HE       LYS  22  -1.909   3.020   1.619
  145   2HE   LYS  22          1HE       LYS  22  -3.217   4.030   1.003
  146   1HZ   LYS  22          1HZ       LYS  22  -2.913   5.237   3.264
  147   2HZ   LYS  22          2HZ       LYS  22  -1.863   5.573   1.977
  148   3HZ   LYS  22          3HZ       LYS  22  -1.366   4.536   3.227
  149    H    LYS  23           H        LYS  23  -5.996  -1.497  -0.111
  150    HA   LYS  23           HA       LYS  23  -8.003  -0.294  -1.689
  151   1HB   LYS  23          1HB       LYS  23  -6.672  -1.646  -2.969
  152   2HB   LYS  23          2HB       LYS  23  -6.511  -2.864  -1.713
  153   1HG   LYS  23          1HG       LYS  23  -8.219  -4.065  -2.495
  154   2HG   LYS  23          2HG       LYS  23  -9.221  -2.639  -2.763
  155   1HD   LYS  23          1HD       LYS  23  -7.296  -2.384  -4.700
  156   2HD   LYS  23          2HD       LYS  23  -7.542  -4.130  -4.630
  157   1HE   LYS  23          2HE       LYS  23  -9.837  -2.202  -4.797
  158   2HE   LYS  23          1HE       LYS  23  -9.007  -2.789  -6.239
  159   1HZ   LYS  23          1HZ       LYS  23 -10.345  -4.539  -6.151
  160   2HZ   LYS  23          2HZ       LYS  23 -10.965  -4.089  -4.638
  161   3HZ   LYS  23          3HZ       LYS  23  -9.555  -5.030  -4.731
  162    H    THR  24           H        THR  24  -8.059  -2.925   0.670
  163    HA   THR  24           HA       THR  24 -10.650  -3.853   0.252
  164    HB   THR  24           HB       THR  24  -9.972  -3.883   3.066
  165    HG1  THR  24           1HG      THR  24  -7.854  -3.785   2.714
  166   1HG2  THR  24          1HG2      THR  24 -10.462  -6.111   2.871
  167   2HG2  THR  24          2HG2      THR  24  -9.677  -6.259   1.297
  168   3HG2  THR  24          3HG2      THR  24 -11.272  -5.517   1.421
  169    H    ALA  25           H        ALA  25  -9.520  -1.080   2.091
  170    HA   ALA  25           HA       ALA  25 -11.937  -0.550   3.472
  171   1HB   ALA  25          1HB       ALA  25 -10.117   1.687   2.750
  172   2HB   ALA  25          2HB       ALA  25 -10.902   1.314   4.285
  173   3HB   ALA  25          3HB       ALA  25  -9.487   0.393   3.772
  174    H    ALA  26           H        ALA  26 -10.647   0.546   0.372
  175    HA   ALA  26           HA       ALA  26 -12.850   2.311  -0.167
  176   1HB   ALA  26          1HB       ALA  26 -10.394   2.326  -1.111
  177   2HB   ALA  26          2HB       ALA  26 -11.094   1.275  -2.341
  178   3HB   ALA  26          3HB       ALA  26 -11.743   2.895  -2.093
  179    H    ASP  27           H        ASP  27 -11.917  -0.954  -1.016
  180    HA   ASP  27           HA       ASP  27 -13.849  -1.544  -2.946
  181   1HB   ASP  27          1HB       ASP  27 -11.783  -2.903  -1.929
  182   2HB   ASP  27          2HB       ASP  27 -13.072  -3.669  -1.008
  183    H    ALA  28           H        ALA  28 -13.942  -1.924   0.574
  184    HA   ALA  28           HA       ALA  28 -16.451  -3.138   0.780
  185   1HB   ALA  28          1HB       ALA  28 -14.493  -2.107   2.551
  186   2HB   ALA  28          2HB       ALA  28 -16.062  -1.457   3.035
  187   3HB   ALA  28          3HB       ALA  28 -15.832  -3.203   2.907
  188    H    ALA  29           H        ALA  29 -15.553   0.261   0.577
  189    HA   ALA  29           HA       ALA  29 -18.072   1.351   1.242
  190   1HB   ALA  29          1HB       ALA  29 -16.879   3.182  -0.463
  191   2HB   ALA  29          2HB       ALA  29 -16.719   3.118   1.290
  192   3HB   ALA  29          3HB       ALA  29 -15.522   2.324   0.269
  193    H    ALA  30           H        ALA  30 -16.606   0.448  -1.850
  194    HA   ALA  30           HA       ALA  30 -18.791   1.380  -3.436
  195   1HB   ALA  30          1HB       ALA  30 -16.273  -0.078  -3.904
  196   2HB   ALA  30          2HB       ALA  30 -17.571  -0.399  -5.053
  197   3HB   ALA  30          3HB       ALA  30 -17.002   1.251  -4.804
  198    H    ALA  31           H        ALA  31 -17.847  -1.731  -2.065
  199    HA   ALA  31           HA       ALA  31 -19.783  -3.336  -3.308
  200   1HB   ALA  31          1HB       ALA  31 -17.719  -3.855  -1.678
  201   2HB   ALA  31          2HB       ALA  31 -19.047  -4.004  -0.525
  202   3HB   ALA  31          3HB       ALA  31 -19.024  -5.004  -1.977
  203    H    ALA  32           H        ALA  32 -19.940  -1.295  -0.453
  204    HA   ALA  32           HA       ALA  32 -22.423  -2.172   0.539
  205   1HB   ALA  32          1HB       ALA  32 -21.427   0.656   0.767
  206   2HB   ALA  32          2HB       ALA  32 -22.410  -0.262   1.909
  207   3HB   ALA  32          3HB       ALA  32 -20.710  -0.671   1.683
  208    H    ALA  33           H        ALA  33 -21.561  -0.026  -2.058
  209    HA   ALA  33           HA       ALA  33 -24.356   0.774  -2.429
  210   1HB   ALA  33          1HB       ALA  33 -21.907   2.119  -2.766
  211   2HB   ALA  33          2HB       ALA  33 -22.586   1.902  -4.380
  212   3HB   ALA  33          3HB       ALA  33 -23.527   2.714  -3.129
  213    H    ALA  34           H        ALA  34 -22.819  -1.860  -3.130
  214    HA   ALA  34           HA       ALA  34 -23.788  -2.019  -5.911
  215   1HB   ALA  34          1HB       ALA  34 -21.852  -2.957  -6.477
  216   2HB   ALA  34          2HB       ALA  34 -21.267  -2.694  -4.834
  217   3HB   ALA  34          3HB       ALA  34 -22.067  -4.210  -5.255
  218    H    ALA  35           H        ALA  35 -25.171  -2.401  -3.283
  219    HA   ALA  35           HA       ALA  35 -26.085  -5.165  -3.701
  220   1HB   ALA  35          1HB       ALA  35 -25.092  -3.917  -1.332
  221   2HB   ALA  35          2HB       ALA  35 -26.788  -4.336  -1.094
  222   3HB   ALA  35          3HB       ALA  35 -25.630  -5.581  -1.564
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  25.279 -10.770   9.465
    2   2H    GLY   1          2H        GLY   1  25.078 -10.598   7.791
    3   3H    GLY   1          3H        GLY   1  23.837 -10.124   8.847
    4   1HA   GLY   1          2HA       GLY   1  25.425  -8.471   9.812
    5   2HA   GLY   1          1HA       GLY   1  26.481  -8.853   8.463
    6    H    SER   2           H        SER   2  26.335  -7.523   6.798
    7    HA   SER   2           HA       SER   2  24.352  -5.473   6.749
    8   1HB   SER   2          1HB       SER   2  26.030  -5.798   4.354
    9   2HB   SER   2          2HB       SER   2  25.803  -4.394   5.395
   10    HG   SER   2           HG       SER   2  27.523  -4.921   6.481
   11    H    MET   3           H        MET   3  24.215  -8.599   5.633
   12    HA   MET   3           HA       MET   3  22.088  -7.843   3.749
   13   1HB   MET   3          1HB       MET   3  22.566 -10.033   2.564
   14   2HB   MET   3          2HB       MET   3  23.765  -8.766   2.355
   15   1HG   MET   3          1HG       MET   3  25.278  -9.829   3.827
   16   2HG   MET   3          2HG       MET   3  24.046 -10.960   4.386
   17   1HE   MET   3          1HE       MET   3  26.531  -9.998   1.516
   18   2HE   MET   3          2HE       MET   3  27.151 -11.023   2.812
   19   3HE   MET   3          3HE       MET   3  27.023 -11.658   1.172
   20    H    ASN   4           H        ASN   4  20.190  -8.337   4.560
   21    HA   ASN   4           HA       ASN   4  20.007 -10.625   6.411
   22   1HB   ASN   4          1HB       ASN   4  19.485  -7.960   6.970
   23   2HB   ASN   4          2HB       ASN   4  17.889  -8.637   6.661
   24   1HD2  ASN   4          1HD2      ASN   4  20.312  -8.212   8.927
   25   2HD2  ASN   4          2HD2      ASN   4  19.731  -9.315  10.137
   26    H    ALA   5           H        ALA   5  18.836 -12.245   5.660
   27    HA   ALA   5           HA       ALA   5  17.191 -11.971   3.333
   28   1HB   ALA   5          1HB       ALA   5  16.576 -14.435   4.138
   29   2HB   ALA   5          2HB       ALA   5  18.090 -14.050   3.318
   30   3HB   ALA   5          3HB       ALA   5  18.053 -14.200   5.074
   31    HA   PRO   6           HA       PRO   6  13.581 -12.832   6.621
   32   1HB   PRO   6          1HB       PRO   6  14.877 -11.434   8.911
   33   2HB   PRO   6          2HB       PRO   6  13.788 -12.825   8.909
   34   1HG   PRO   6          1HG       PRO   6  16.384 -13.161   9.330
   35   2HG   PRO   6          2HG       PRO   6  15.477 -14.311   8.330
   36   1HD   PRO   6          1HD       PRO   6  17.346 -12.131   7.493
   37   2HD   PRO   6          2HD       PRO   6  17.135 -13.760   6.818
   38    H    ALA   7           H        ALA   7  15.677 -10.047   6.427
   39    HA   ALA   7           HA       ALA   7  13.807  -8.040   7.065
   40   1HB   ALA   7          1HB       ALA   7  15.386  -6.516   6.375
   41   2HB   ALA   7          2HB       ALA   7  16.397  -7.918   6.726
   42   3HB   ALA   7          3HB       ALA   7  15.959  -7.543   5.059
   43    H    ARG   8           H        ARG   8  14.616  -9.672   4.045
   44    HA   ARG   8           HA       ARG   8  12.971  -8.077   2.372
   45   1HB   ARG   8          1HB       ARG   8  14.588  -9.332   1.239
   46   2HB   ARG   8          2HB       ARG   8  14.210 -10.801   2.126
   47   1HG   ARG   8          1HG       ARG   8  13.287 -11.308   0.108
   48   2HG   ARG   8          2HG       ARG   8  11.895 -10.548   0.883
   49   1HD   ARG   8          1HD       ARG   8  12.204  -9.720  -1.392
   50   2HD   ARG   8          2HD       ARG   8  12.434  -8.432  -0.210
   51    HE   ARG   8           HE       ARG   8  14.658  -8.295  -0.808
   52   1HH1  ARG   8          2HH1      ARG   8  13.192 -11.104  -2.290
   53   2HH1  ARG   8          1HH1      ARG   8  14.564 -11.458  -3.294
   54   1HH2  ARG   8          2HH2      ARG   8  16.458  -8.735  -2.137
   55   2HH2  ARG   8          1HH2      ARG   8  16.430 -10.112  -3.202
   56    H    ALA   9           H        ALA   9  12.476 -11.080   4.142
   57    HA   ALA   9           HA       ALA   9   9.908 -11.687   3.165
   58   1HB   ALA   9          1HB       ALA   9  10.547 -13.535   4.243
   59   2HB   ALA   9          2HB       ALA   9  11.661 -12.648   5.285
   60   3HB   ALA   9          3HB       ALA   9   9.951 -12.747   5.703
   61    H    ALA  10           H        ALA  10  10.998  -9.463   5.588
   62    HA   ALA  10           HA       ALA  10   8.334  -9.059   6.660
   63   1HB   ALA  10          1HB       ALA  10   9.605  -8.562   8.428
   64   2HB   ALA  10          2HB       ALA  10  11.047  -8.360   7.433
   65   3HB   ALA  10          3HB       ALA  10   9.921  -7.019   7.633
   66    H    ALA  11           H        ALA  11  10.765  -7.062   4.981
   67    HA   ALA  11           HA       ALA  11   9.166  -4.764   4.804
   68   1HB   ALA  11          1HB       ALA  11  10.834  -3.915   3.268
   69   2HB   ALA  11          2HB       ALA  11  11.607  -4.748   4.617
   70   3HB   ALA  11          3HB       ALA  11  11.484  -5.539   3.045
   71    H    LYS  12           H        LYS  12   9.782  -7.307   2.383
   72    HA   LYS  12           HA       LYS  12   8.432  -6.026   0.268
   73   1HB   LYS  12          1HB       LYS  12  10.033  -7.958   0.044
   74   2HB   LYS  12          2HB       LYS  12   8.749  -9.009   0.627
   75   1HG   LYS  12          1HG       LYS  12   7.583  -7.571  -1.441
   76   2HG   LYS  12          2HG       LYS  12   9.208  -7.953  -2.018
   77   1HD   LYS  12          1HD       LYS  12   8.129  -9.855  -2.669
   78   2HD   LYS  12          2HD       LYS  12   8.593 -10.338  -1.036
   79   1HE   LYS  12          2HE       LYS  12   6.452 -10.702  -0.580
   80   2HE   LYS  12          1HE       LYS  12   6.141  -8.981  -0.799
   81   1HZ   LYS  12          1HZ       LYS  12   4.871  -9.541  -2.511
   82   2HZ   LYS  12          2HZ       LYS  12   5.359 -11.167  -2.429
   83   3HZ   LYS  12          3HZ       LYS  12   6.267 -10.056  -3.338
   84    H    THR  13           H        THR  13   7.348  -8.523   2.545
   85    HA   THR  13           HA       THR  13   4.744  -8.715   1.463
   86    HB   THR  13           HB       THR  13   5.272  -9.446   4.304
   87    HG1  THR  13           1HG      THR  13   6.952 -10.614   3.758
   88   1HG2  THR  13          1HG2      THR  13   3.937 -11.367   3.755
   89   2HG2  THR  13          2HG2      THR  13   4.020 -10.993   2.033
   90   3HG2  THR  13          3HG2      THR  13   3.117  -9.940   3.123
   91    H    ALA  14           H        ALA  14   6.179  -6.630   3.878
   92    HA   ALA  14           HA       ALA  14   3.769  -5.669   5.020
   93   1HB   ALA  14          1HB       ALA  14   5.466  -5.029   6.367
   94   2HB   ALA  14          2HB       ALA  14   6.608  -4.880   5.032
   95   3HB   ALA  14          3HB       ALA  14   5.451  -3.587   5.351
   96    H    ALA  15           H        ALA  15   5.883  -4.376   2.461
   97    HA   ALA  15           HA       ALA  15   4.212  -2.202   1.765
   98   1HB   ALA  15          1HB       ALA  15   5.888  -1.692   0.387
   99   2HB   ALA  15          2HB       ALA  15   6.712  -3.132   0.983
  100   3HB   ALA  15          3HB       ALA  15   5.731  -3.220  -0.480
  101    H    ASP  16           H        ASP  16   4.423  -5.531   0.666
  102    HA   ASP  16           HA       ASP  16   2.630  -5.481  -1.474
  103   1HB   ASP  16          1HB       ASP  16   4.134  -7.403  -0.296
  104   2HB   ASP  16          2HB       ASP  16   2.543  -7.849   0.309
  105    H    ALA  17           H        ALA  17   2.064  -6.020   1.974
  106    HA   ALA  17           HA       ALA  17  -0.715  -6.451   1.811
  107   1HB   ALA  17          1HB       ALA  17   0.552  -7.139   3.753
  108   2HB   ALA  17          2HB       ALA  17   0.960  -5.461   4.114
  109   3HB   ALA  17          3HB       ALA  17  -0.712  -6.007   4.238
  110    H    LEU  18           H        LEU  18   1.202  -3.549   2.470
  111    HA   LEU  18           HA       LEU  18  -0.896  -1.802   3.052
  112   1HB   LEU  18          1HB       LEU  18   1.233  -1.029   3.574
  113   2HB   LEU  18          2HB       LEU  18   1.882  -1.454   2.003
  114    HG   LEU  18           HG       LEU  18  -0.056   0.499   1.487
  115   1HD1  LEU  18          1HD1      LEU  18   1.627   1.214   3.882
  116   2HD1  LEU  18          2HD1      LEU  18   0.728   2.372   2.900
  117   3HD1  LEU  18          3HD1      LEU  18  -0.134   1.127   3.807
  118   1HD2  LEU  18          1HD2      LEU  18   2.226   0.025   0.452
  119   2HD2  LEU  18          2HD2      LEU  18   1.744   1.715   0.603
  120   3HD2  LEU  18          3HD2      LEU  18   2.889   1.019   1.750
  121    H    ALA  19           H        ALA  19   0.592  -2.616  -0.053
  122    HA   ALA  19           HA       ALA  19  -0.839  -0.715  -1.583
  123   1HB   ALA  19          1HB       ALA  19  -0.102  -3.066  -3.094
  124   2HB   ALA  19          2HB       ALA  19   0.495  -1.411  -3.217
  125   3HB   ALA  19          3HB       ALA  19   1.212  -2.524  -2.050
  126    H    ALA  20           H        ALA  20  -1.434  -4.106  -0.809
  127    HA   ALA  20           HA       ALA  20  -3.719  -4.348  -2.507
  128   1HB   ALA  20          1HB       ALA  20  -2.691  -6.068  -0.259
  129   2HB   ALA  20          2HB       ALA  20  -4.080  -6.487  -1.263
  130   3HB   ALA  20          3HB       ALA  20  -2.481  -6.321  -1.991
  131    H    ALA  21           H        ALA  21  -3.271  -3.913   0.985
  132    HA   ALA  21           HA       ALA  21  -5.952  -4.139   1.746
  133   1HB   ALA  21          1HB       ALA  21  -3.511  -2.985   2.981
  134   2HB   ALA  21          2HB       ALA  21  -5.073  -2.594   3.701
  135   3HB   ALA  21          3HB       ALA  21  -4.569  -4.277   3.552
  136    H    LYS  22           H        LYS  22  -4.196  -1.435   0.413
  137    HA   LYS  22           HA       LYS  22  -5.911   0.649   1.154
  138   1HB   LYS  22          1HB       LYS  22  -3.628   0.359  -0.438
  139   2HB   LYS  22          2HB       LYS  22  -4.853   1.007  -1.518
  140   1HG   LYS  22          1HG       LYS  22  -3.493   2.749  -0.442
  141   2HG   LYS  22          2HG       LYS  22  -5.212   2.888  -0.065
  142   1HD   LYS  22          1HD       LYS  22  -4.921   2.177   2.123
  143   2HD   LYS  22          2HD       LYS  22  -3.389   1.375   1.764
  144   1HE   LYS  22          2HE       LYS  22  -2.398   3.184   2.609
  145   2HE   LYS  22          1HE       LYS  22  -2.895   4.013   1.135
  146   1HZ   LYS  22          1HZ       LYS  22  -3.665   5.349   2.856
  147   2HZ   LYS  22          2HZ       LYS  22  -4.202   4.034   3.787
  148   3HZ   LYS  22          3HZ       LYS  22  -5.044   4.481   2.382
  149    H    LYS  23           H        LYS  23  -6.063  -1.653  -1.504
  150    HA   LYS  23           HA       LYS  23  -8.263  -0.375  -2.822
  151   1HB   LYS  23          1HB       LYS  23  -7.514  -3.272  -3.147
  152   2HB   LYS  23          2HB       LYS  23  -8.231  -2.186  -4.331
  153   1HG   LYS  23          1HG       LYS  23  -5.815  -0.997  -3.684
  154   2HG   LYS  23          2HG       LYS  23  -5.456  -2.723  -3.751
  155   1HD   LYS  23          1HD       LYS  23  -5.390  -2.564  -5.965
  156   2HD   LYS  23          2HD       LYS  23  -7.117  -2.203  -5.945
  157   1HE   LYS  23          2HE       LYS  23  -5.560   0.123  -5.255
  158   2HE   LYS  23          1HE       LYS  23  -5.046  -0.542  -6.805
  159   1HZ   LYS  23          1HZ       LYS  23  -7.141  -0.250  -7.716
  160   2HZ   LYS  23          2HZ       LYS  23  -6.937   1.153  -6.782
  161   3HZ   LYS  23          3HZ       LYS  23  -7.905  -0.113  -6.208
  162    H    THR  24           H        THR  24  -7.893  -3.141  -0.654
  163    HA   THR  24           HA       THR  24 -10.600  -3.920  -0.635
  164    HB   THR  24           HB       THR  24  -9.049  -4.390   1.833
  165    HG1  THR  24           1HG      THR  24  -7.608  -5.825   0.690
  166   1HG2  THR  24          1HG2      THR  24 -11.023  -5.701   0.180
  167   2HG2  THR  24          2HG2      THR  24 -10.555  -6.045   1.846
  168   3HG2  THR  24          3HG2      THR  24  -9.667  -6.781   0.511
  169    H    ALA  25           H        ALA  25  -8.783  -1.556   1.224
  170    HA   ALA  25           HA       ALA  25 -10.670  -0.966   3.203
  171   1HB   ALA  25          1HB       ALA  25  -8.659   0.044   3.619
  172   2HB   ALA  25          2HB       ALA  25  -8.420   0.514   1.935
  173   3HB   ALA  25          3HB       ALA  25  -9.553   1.411   2.949
  174    H    ALA  26           H        ALA  26 -10.269   0.328  -0.065
  175    HA   ALA  26           HA       ALA  26 -12.356   2.227   0.077
  176   1HB   ALA  26          1HB       ALA  26 -11.877   1.134  -2.583
  177   2HB   ALA  26          2HB       ALA  26 -11.686   2.781  -1.981
  178   3HB   ALA  26          3HB       ALA  26 -10.398   1.600  -1.745
  179    H    ASP  27           H        ASP  27 -12.238  -1.144  -0.930
  180    HA   ASP  27           HA       ASP  27 -14.894  -1.287  -1.924
  181   1HB   ASP  27          1HB       ASP  27 -13.319  -2.950  -2.614
  182   2HB   ASP  27          2HB       ASP  27 -12.966  -3.398  -0.949
  183    H    ALA  28           H        ALA  28 -13.441  -1.839   1.241
  184    HA   ALA  28           HA       ALA  28 -15.659  -2.923   2.560
  185   1HB   ALA  28          1HB       ALA  28 -13.294  -2.760   3.415
  186   2HB   ALA  28          2HB       ALA  28 -13.653  -1.086   3.834
  187   3HB   ALA  28          3HB       ALA  28 -14.563  -2.396   4.586
  188    H    ALA  29           H        ALA  29 -14.922   0.357   1.650
  189    HA   ALA  29           HA       ALA  29 -16.805   1.662   3.316
  190   1HB   ALA  29          1HB       ALA  29 -15.400   3.229   2.486
  191   2HB   ALA  29          2HB       ALA  29 -15.195   2.390   0.947
  192   3HB   ALA  29          3HB       ALA  29 -16.645   3.350   1.242
  193    H    ALA  30           H        ALA  30 -17.050  -0.027   0.280
  194    HA   ALA  30           HA       ALA  30 -19.701   0.908  -0.326
  195   1HB   ALA  30          1HB       ALA  30 -19.662  -0.627  -2.147
  196   2HB   ALA  30          2HB       ALA  30 -18.049   0.076  -2.031
  197   3HB   ALA  30          3HB       ALA  30 -18.347  -1.550  -1.419
  198    H    ALA  31           H        ALA  31 -18.250  -1.819   1.325
  199    HA   ALA  31           HA       ALA  31 -20.617  -3.328   1.693
  200   1HB   ALA  31          1HB       ALA  31 -18.731  -3.604   3.871
  201   2HB   ALA  31          2HB       ALA  31 -19.232  -4.782   2.660
  202   3HB   ALA  31          3HB       ALA  31 -17.928  -3.651   2.302
  203    H    ALA  32           H        ALA  32 -18.889  -1.083   3.847
  204    HA   ALA  32           HA       ALA  32 -21.109  -1.016   5.713
  205   1HB   ALA  32          1HB       ALA  32 -18.486  -0.830   6.120
  206   2HB   ALA  32          2HB       ALA  32 -18.849   0.888   5.957
  207   3HB   ALA  32          3HB       ALA  32 -19.664  -0.072   7.192
  208    H    ALA  33           H        ALA  33 -21.792  -0.112   3.129
  209    HA   ALA  33           HA       ALA  33 -21.912   2.754   3.095
  210   1HB   ALA  33          1HB       ALA  33 -23.941   1.915   1.450
  211   2HB   ALA  33          2HB       ALA  33 -22.266   2.175   0.961
  212   3HB   ALA  33          3HB       ALA  33 -22.815   0.557   1.396
  213    H    ALA  34           H        ALA  34 -23.746   0.174   4.408
  214    HA   ALA  34           HA       ALA  34 -25.272   1.955   6.045
  215   1HB   ALA  34          1HB       ALA  34 -26.461   1.413   3.650
  216   2HB   ALA  34          2HB       ALA  34 -27.099   0.119   4.665
  217   3HB   ALA  34          3HB       ALA  34 -27.325   1.803   5.135
  218    H    ALA  35           H        ALA  35 -26.210   0.823   7.823
  219    HA   ALA  35           HA       ALA  35 -25.532  -2.040   7.933
  220   1HB   ALA  35          1HB       ALA  35 -23.908  -1.058   9.312
  221   2HB   ALA  35          2HB       ALA  35 -25.060   0.091   9.996
  222   3HB   ALA  35          3HB       ALA  35 -25.157  -1.616  10.429
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  19.710   1.470  -9.690
    2   2H    GLY   1          2H        GLY   1  21.110   0.715  -9.096
    3   3H    GLY   1          3H        GLY   1  21.060   2.400  -9.252
    4   1HA   GLY   1          2HA       GLY   1  19.557   2.657  -7.493
    5   2HA   GLY   1          1HA       GLY   1  19.197   0.934  -7.484
    6    H    SER   2           H        SER   2  20.923   3.352  -6.009
    7    HA   SER   2           HA       SER   2  23.252   1.825  -5.286
    8   1HB   SER   2          1HB       SER   2  22.763   4.156  -3.631
    9   2HB   SER   2          2HB       SER   2  24.079   3.850  -4.764
   10    HG   SER   2           HG       SER   2  21.950   5.459  -5.049
   11    H    MET   3           H        MET   3  22.436   0.000  -4.249
   12    HA   MET   3           HA       MET   3  21.824  -1.290  -2.491
   13   1HB   MET   3          1HB       MET   3  23.367   0.849  -1.465
   14   2HB   MET   3          2HB       MET   3  22.072   0.548  -0.316
   15   1HG   MET   3          1HG       MET   3  23.109  -1.245   0.457
   16   2HG   MET   3          2HG       MET   3  23.193  -1.943  -1.161
   17   1HE   MET   3          1HE       MET   3  25.469  -2.805   0.695
   18   2HE   MET   3          2HE       MET   3  26.775  -1.659   0.998
   19   3HE   MET   3          3HE       MET   3  25.187  -1.398   1.721
   20    H    ASN   4           H        ASN   4  19.650  -0.268  -3.745
   21    HA   ASN   4           HA       ASN   4  17.859   0.650  -1.607
   22   1HB   ASN   4          1HB       ASN   4  18.065   1.655  -4.077
   23   2HB   ASN   4          2HB       ASN   4  16.896   0.381  -4.411
   24   1HD2  ASN   4          1HD2      ASN   4  15.523   0.443  -1.938
   25   2HD2  ASN   4          2HD2      ASN   4  14.631   1.926  -1.879
   26    H    ALA   5           H        ALA   5  18.628  -2.011  -3.598
   27    HA   ALA   5           HA       ALA   5  16.242  -3.412  -3.702
   28   1HB   ALA   5          1HB       ALA   5  19.067  -4.060  -4.078
   29   2HB   ALA   5          2HB       ALA   5  18.070  -5.429  -3.582
   30   3HB   ALA   5          3HB       ALA   5  17.654  -4.515  -5.031
   31    HA   PRO   6           HA       PRO   6  17.495  -5.892   0.336
   32   1HB   PRO   6          1HB       PRO   6  19.156  -3.841   1.702
   33   2HB   PRO   6          2HB       PRO   6  19.354  -5.596   1.651
   34   1HG   PRO   6          1HG       PRO   6  20.965  -4.005   0.245
   35   2HG   PRO   6          2HG       PRO   6  20.403  -5.548  -0.427
   36   1HD   PRO   6          1HD       PRO   6  19.472  -2.767  -1.012
   37   2HD   PRO   6          2HD       PRO   6  19.702  -4.137  -2.118
   38    H    ALA   7           H        ALA   7  17.332  -2.368   0.509
   39    HA   ALA   7           HA       ALA   7  15.863  -2.175   2.899
   40   1HB   ALA   7          1HB       ALA   7  15.511  -0.128   0.766
   41   2HB   ALA   7          2HB       ALA   7  15.771   0.074   2.499
   42   3HB   ALA   7          3HB       ALA   7  17.120  -0.369   1.451
   43    H    ARG   8           H        ARG   8  14.804  -2.120  -0.502
   44    HA   ARG   8           HA       ARG   8  12.037  -1.952   0.234
   45   1HB   ARG   8          1HB       ARG   8  11.579  -1.723  -2.022
   46   2HB   ARG   8          2HB       ARG   8  13.215  -1.090  -1.918
   47   1HG   ARG   8          1HG       ARG   8  13.737  -3.685  -2.436
   48   2HG   ARG   8          2HG       ARG   8  12.200  -3.488  -3.283
   49   1HD   ARG   8          1HD       ARG   8  14.583  -1.674  -3.624
   50   2HD   ARG   8          2HD       ARG   8  14.210  -3.032  -4.683
   51    HE   ARG   8           HE       ARG   8  12.847  -0.470  -4.555
   52   1HH1  ARG   8          2HH1      ARG   8  12.791  -3.784  -5.728
   53   2HH1  ARG   8          1HH1      ARG   8  11.632  -3.451  -6.984
   54   1HH2  ARG   8          2HH2      ARG   8  11.333  -0.037  -6.206
   55   2HH2  ARG   8          1HH2      ARG   8  10.788  -1.325  -7.235
   56    H    ALA   9           H        ALA   9  14.280  -4.497  -0.204
   57    HA   ALA   9           HA       ALA   9  12.481  -6.577  -0.920
   58   1HB   ALA   9          1HB       ALA   9  14.829  -7.379   0.637
   59   2HB   ALA   9          2HB       ALA   9  14.313  -7.870  -0.977
   60   3HB   ALA   9          3HB       ALA   9  15.192  -6.358  -0.754
   61    H    ALA  10           H        ALA  10  13.919  -5.610   2.194
   62    HA   ALA  10           HA       ALA  10  12.486  -7.532   3.717
   63   1HB   ALA  10          1HB       ALA  10  13.634  -6.735   5.500
   64   2HB   ALA  10          2HB       ALA  10  14.618  -6.010   4.230
   65   3HB   ALA  10          3HB       ALA  10  13.385  -5.049   5.045
   66    H    ALA  11           H        ALA  11  11.711  -4.417   2.482
   67    HA   ALA  11           HA       ALA  11   9.438  -4.067   4.262
   68   1HB   ALA  11          1HB       ALA  11  10.913  -2.364   2.348
   69   2HB   ALA  11          2HB       ALA  11   9.189  -2.036   2.520
   70   3HB   ALA  11          3HB       ALA  11  10.244  -1.975   3.932
   71    H    LYS  12           H        LYS  12  10.014  -5.856   1.570
   72    HA   LYS  12           HA       LYS  12   8.003  -5.252  -0.246
   73   1HB   LYS  12          1HB       LYS  12   9.889  -6.943  -0.498
   74   2HB   LYS  12          2HB       LYS  12   8.873  -8.067   0.392
   75   1HG   LYS  12          1HG       LYS  12   7.620  -6.745  -1.923
   76   2HG   LYS  12          2HG       LYS  12   8.912  -7.891  -2.281
   77   1HD   LYS  12          1HD       LYS  12   7.567  -9.373  -0.539
   78   2HD   LYS  12          2HD       LYS  12   6.228  -8.363  -1.088
   79   1HE   LYS  12          2HE       LYS  12   7.946  -9.465  -3.211
   80   2HE   LYS  12          1HE       LYS  12   7.014 -10.652  -2.300
   81   1HZ   LYS  12          1HZ       LYS  12   5.013  -9.290  -2.781
   82   2HZ   LYS  12          2HZ       LYS  12   5.739  -9.955  -4.165
   83   3HZ   LYS  12          3HZ       LYS  12   5.963  -8.314  -3.796
   84    H    THR  13           H        THR  13   7.879  -7.585   2.443
   85    HA   THR  13           HA       THR  13   5.270  -8.464   2.043
   86    HB   THR  13           HB       THR  13   6.043  -8.292   4.861
   87    HG1  THR  13           1HG      THR  13   8.076  -8.827   4.635
   88   1HG2  THR  13          1HG2      THR  13   4.414  -9.887   3.570
   89   2HG2  THR  13          2HG2      THR  13   5.389 -10.514   4.899
   90   3HG2  THR  13          3HG2      THR  13   5.886 -10.798   3.231
   91    H    ALA  14           H        ALA  14   6.468  -5.711   3.917
   92    HA   ALA  14           HA       ALA  14   3.980  -5.025   5.084
   93   1HB   ALA  14          1HB       ALA  14   6.609  -3.671   4.742
   94   2HB   ALA  14          2HB       ALA  14   5.215  -2.697   5.208
   95   3HB   ALA  14          3HB       ALA  14   5.716  -4.056   6.214
   96    H    ALA  15           H        ALA  15   5.713  -3.758   2.249
   97    HA   ALA  15           HA       ALA  15   3.745  -1.851   1.543
   98   1HB   ALA  15          1HB       ALA  15   6.093  -1.747   0.796
   99   2HB   ALA  15          2HB       ALA  15   5.805  -3.143  -0.242
  100   3HB   ALA  15          3HB       ALA  15   4.951  -1.630  -0.541
  101    H    ASP  16           H        ASP  16   4.310  -5.194   0.563
  102    HA   ASP  16           HA       ASP  16   2.459  -5.289  -1.560
  103   1HB   ASP  16          1HB       ASP  16   4.316  -6.991  -0.725
  104   2HB   ASP  16          2HB       ASP  16   2.947  -7.716   0.108
  105    H    ALA  17           H        ALA  17   2.140  -6.278   1.838
  106    HA   ALA  17           HA       ALA  17  -0.555  -7.059   1.709
  107   1HB   ALA  17          1HB       ALA  17   1.447  -6.783   3.716
  108   2HB   ALA  17          2HB       ALA  17  -0.038  -6.029   4.295
  109   3HB   ALA  17          3HB       ALA  17  -0.050  -7.712   3.771
  110    H    LEU  18           H        LEU  18   0.967  -3.955   2.364
  111    HA   LEU  18           HA       LEU  18  -1.370  -2.542   3.078
  112   1HB   LEU  18          1HB       LEU  18   1.089  -1.881   3.404
  113   2HB   LEU  18          2HB       LEU  18   1.035  -1.329   1.741
  114    HG   LEU  18           HG       LEU  18  -0.902   0.159   2.422
  115   1HD1  LEU  18          1HD1      LEU  18  -1.770  -0.216   4.433
  116   2HD1  LEU  18          2HD1      LEU  18  -0.397  -1.205   4.928
  117   3HD1  LEU  18          3HD1      LEU  18  -0.329   0.551   5.101
  118   1HD2  LEU  18          1HD2      LEU  18   0.523   1.891   2.984
  119   2HD2  LEU  18          2HD2      LEU  18   1.581   0.853   3.940
  120   3HD2  LEU  18          3HD2      LEU  18   1.605   0.755   2.179
  121    H    ALA  19           H        ALA  19   0.341  -2.909  -0.013
  122    HA   ALA  19           HA       ALA  19  -1.287  -1.233  -1.558
  123   1HB   ALA  19          1HB       ALA  19   0.569  -1.788  -2.739
  124   2HB   ALA  19          2HB       ALA  19   0.607  -3.438  -2.116
  125   3HB   ALA  19          3HB       ALA  19  -0.522  -3.007  -3.402
  126    H    ALA  20           H        ALA  20  -1.642  -4.605  -0.634
  127    HA   ALA  20           HA       ALA  20  -3.935  -5.084  -2.280
  128   1HB   ALA  20          1HB       ALA  20  -3.643  -6.772   0.095
  129   2HB   ALA  20          2HB       ALA  20  -3.726  -7.218  -1.610
  130   3HB   ALA  20          3HB       ALA  20  -2.197  -6.685  -0.910
  131    H    ALA  21           H        ALA  21  -3.413  -4.345   1.151
  132    HA   ALA  21           HA       ALA  21  -6.069  -4.524   2.008
  133   1HB   ALA  21          1HB       ALA  21  -3.701  -3.008   3.055
  134   2HB   ALA  21          2HB       ALA  21  -5.276  -2.937   3.847
  135   3HB   ALA  21          3HB       ALA  21  -4.438  -4.480   3.687
  136    H    LYS  22           H        LYS  22  -4.350  -1.946   0.407
  137    HA   LYS  22           HA       LYS  22  -6.076   0.187   0.883
  138   1HB   LYS  22          1HB       LYS  22  -3.852  -0.346  -0.766
  139   2HB   LYS  22          2HB       LYS  22  -5.114   0.269  -1.823
  140   1HG   LYS  22          1HG       LYS  22  -4.100   2.218  -1.210
  141   2HG   LYS  22          2HG       LYS  22  -5.342   2.104   0.038
  142   1HD   LYS  22          1HD       LYS  22  -3.316   2.672   1.138
  143   2HD   LYS  22          2HD       LYS  22  -3.626   0.973   1.495
  144   1HE   LYS  22          2HE       LYS  22  -1.295   1.245   0.966
  145   2HE   LYS  22          1HE       LYS  22  -2.077   0.349  -0.334
  146   1HZ   LYS  22          1HZ       LYS  22  -1.402   3.243  -0.375
  147   2HZ   LYS  22          2HZ       LYS  22  -2.196   2.405  -1.621
  148   3HZ   LYS  22          3HZ       LYS  22  -0.595   2.014  -1.223
  149    H    LYS  23           H        LYS  23  -6.315  -2.472  -1.387
  150    HA   LYS  23           HA       LYS  23  -8.494  -1.401  -2.886
  151   1HB   LYS  23          1HB       LYS  23  -7.249  -4.122  -2.629
  152   2HB   LYS  23          2HB       LYS  23  -8.758  -3.908  -3.511
  153   1HG   LYS  23          1HG       LYS  23  -7.675  -3.180  -5.289
  154   2HG   LYS  23          2HG       LYS  23  -6.877  -1.933  -4.328
  155   1HD   LYS  23          1HD       LYS  23  -5.326  -3.845  -3.549
  156   2HD   LYS  23          2HD       LYS  23  -5.950  -4.715  -4.952
  157   1HE   LYS  23          2HE       LYS  23  -3.940  -3.648  -5.630
  158   2HE   LYS  23          1HE       LYS  23  -5.274  -2.749  -6.355
  159   1HZ   LYS  23          1HZ       LYS  23  -3.832  -1.970  -3.875
  160   2HZ   LYS  23          2HZ       LYS  23  -5.070  -1.088  -4.626
  161   3HZ   LYS  23          3HZ       LYS  23  -3.577  -1.286  -5.407
  162    H    THR  24           H        THR  24  -8.222  -3.854  -0.356
  163    HA   THR  24           HA       THR  24 -10.942  -4.425  -0.085
  164    HB   THR  24           HB       THR  24  -9.479  -4.562   2.432
  165    HG1  THR  24           1HG      THR  24  -7.947  -6.128   1.539
  166   1HG2  THR  24          1HG2      THR  24  -9.962  -7.093   1.172
  167   2HG2  THR  24          2HG2      THR  24 -11.369  -6.051   0.950
  168   3HG2  THR  24          3HG2      THR  24 -10.764  -6.381   2.574
  169    H    ALA  25           H        ALA  25  -8.913  -2.048   1.601
  170    HA   ALA  25           HA       ALA  25 -10.886  -1.094   3.365
  171   1HB   ALA  25          1HB       ALA  25  -9.028  -0.156   4.154
  172   2HB   ALA  25          2HB       ALA  25  -8.189  -0.382   2.618
  173   3HB   ALA  25          3HB       ALA  25  -9.186   1.050   2.876
  174    H    ALA  26           H        ALA  26  -9.917  -0.022   0.120
  175    HA   ALA  26           HA       ALA  26 -11.648   2.220   0.022
  176   1HB   ALA  26          1HB       ALA  26 -10.268   2.495  -1.722
  177   2HB   ALA  26          2HB       ALA  26  -9.938   0.766  -1.848
  178   3HB   ALA  26          3HB       ALA  26 -11.384   1.447  -2.598
  179    H    ASP  27           H        ASP  27 -11.981  -1.145  -0.940
  180    HA   ASP  27           HA       ASP  27 -14.499  -0.999  -2.159
  181   1HB   ASP  27          1HB       ASP  27 -13.152  -2.963  -2.451
  182   2HB   ASP  27          2HB       ASP  27 -13.096  -3.250  -0.718
  183    H    ALA  28           H        ALA  28 -13.589  -1.630   1.209
  184    HA   ALA  28           HA       ALA  28 -16.224  -2.027   2.164
  185   1HB   ALA  28          1HB       ALA  28 -15.226  -1.642   4.402
  186   2HB   ALA  28          2HB       ALA  28 -14.354  -2.836   3.436
  187   3HB   ALA  28          3HB       ALA  28 -13.715  -1.203   3.609
  188    H    ALA  29           H        ALA  29 -14.195   0.824   1.820
  189    HA   ALA  29           HA       ALA  29 -15.864   2.603   3.262
  190   1HB   ALA  29          1HB       ALA  29 -13.535   2.841   1.468
  191   2HB   ALA  29          2HB       ALA  29 -14.576   4.260   1.587
  192   3HB   ALA  29          3HB       ALA  29 -13.843   3.580   3.040
  193    H    ALA  30           H        ALA  30 -15.840   1.472  -0.052
  194    HA   ALA  30           HA       ALA  30 -17.686   3.428  -1.028
  195   1HB   ALA  30          1HB       ALA  30 -17.163   2.560  -3.004
  196   2HB   ALA  30          2HB       ALA  30 -16.079   1.454  -2.163
  197   3HB   ALA  30          3HB       ALA  30 -17.735   0.963  -2.523
  198    H    ALA  31           H        ALA  31 -17.928   0.157   0.246
  199    HA   ALA  31           HA       ALA  31 -20.697  -0.196  -0.223
  200   1HB   ALA  31          1HB       ALA  31 -20.465  -2.202   0.809
  201   2HB   ALA  31          2HB       ALA  31 -18.757  -1.867   0.523
  202   3HB   ALA  31          3HB       ALA  31 -19.465  -1.543   2.105
  203    H    ALA  32           H        ALA  32 -18.876   0.830   2.644
  204    HA   ALA  32           HA       ALA  32 -21.391   1.634   3.923
  205   1HB   ALA  32          1HB       ALA  32 -20.302   1.524   5.983
  206   2HB   ALA  32          2HB       ALA  32 -19.626   0.168   5.081
  207   3HB   ALA  32          3HB       ALA  32 -18.702   1.661   5.252
  208    H    ALA  33           H        ALA  33 -20.798   3.261   1.865
  209    HA   ALA  33           HA       ALA  33 -19.309   5.561   2.754
  210   1HB   ALA  33          1HB       ALA  33 -21.132   5.166   0.378
  211   2HB   ALA  33          2HB       ALA  33 -20.170   6.613   0.680
  212   3HB   ALA  33          3HB       ALA  33 -19.370   5.067   0.386
  213    H    ALA  34           H        ALA  34 -22.717   4.868   2.064
  214    HA   ALA  34           HA       ALA  34 -23.462   6.828   4.137
  215   1HB   ALA  34          1HB       ALA  34 -25.332   7.561   2.837
  216   2HB   ALA  34          2HB       ALA  34 -23.896   7.670   1.820
  217   3HB   ALA  34          3HB       ALA  34 -25.028   6.334   1.608
  218    H    ALA  35           H        ALA  35 -23.042   3.923   4.146
  219    HA   ALA  35           HA       ALA  35 -25.718   3.084   5.014
  220   1HB   ALA  35          1HB       ALA  35 -25.762   1.570   3.381
  221   2HB   ALA  35          2HB       ALA  35 -24.100   1.934   2.915
  222   3HB   ALA  35          3HB       ALA  35 -24.422   0.760   4.191
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1  16.358  -2.761 -17.540
    2   2H    GLY   1          2H        GLY   1  16.126  -1.131 -17.935
    3   3H    GLY   1          3H        GLY   1  15.639  -1.712 -16.417
    4   1HA   GLY   1          2HA       GLY   1  18.208  -0.803 -17.299
    5   2HA   GLY   1          1HA       GLY   1  17.581  -0.968 -15.663
    6    H    SER   2           H        SER   2  19.955  -1.639 -15.491
    7    HA   SER   2           HA       SER   2  20.537  -4.325 -16.392
    8   1HB   SER   2          1HB       SER   2  22.173  -2.661 -14.476
    9   2HB   SER   2          2HB       SER   2  22.727  -3.967 -15.527
   10    HG   SER   2           HG       SER   2  21.828  -2.424 -17.263
   11    H    MET   3           H        MET   3  19.204  -2.813 -13.614
   12    HA   MET   3           HA       MET   3  19.625  -5.079 -11.877
   13   1HB   MET   3          1HB       MET   3  18.395  -3.877 -10.244
   14   2HB   MET   3          2HB       MET   3  19.391  -2.696 -11.076
   15   1HG   MET   3          1HG       MET   3  16.650  -3.094 -12.102
   16   2HG   MET   3          2HG       MET   3  16.823  -2.306 -10.535
   17   1HE   MET   3          1HE       MET   3  17.880   0.707 -10.611
   18   2HE   MET   3          2HE       MET   3  18.739  -0.762 -10.146
   19   3HE   MET   3          3HE       MET   3  19.451   0.345 -11.323
   20    H    ASN   4           H        ASN   4  17.497  -5.941 -10.788
   21    HA   ASN   4           HA       ASN   4  15.789  -6.790 -13.029
   22   1HB   ASN   4          1HB       ASN   4  17.208  -8.391 -11.413
   23   2HB   ASN   4          2HB       ASN   4  15.735  -8.263 -10.456
   24   1HD2  ASN   4          1HD2      ASN   4  16.222 -10.677 -11.173
   25   2HD2  ASN   4          2HD2      ASN   4  15.268 -11.197 -12.520
   26    H    ALA   5           H        ALA   5  13.699  -6.279 -13.037
   27    HA   ALA   5           HA       ALA   5  12.641  -4.634 -10.940
   28   1HB   ALA   5          1HB       ALA   5  10.646  -4.445 -12.324
   29   2HB   ALA   5          2HB       ALA   5  12.100  -4.184 -13.286
   30   3HB   ALA   5          3HB       ALA   5  11.239  -5.718 -13.386
   31    HA   PRO   6           HA       PRO   6   9.719  -8.526 -10.285
   32   1HB   PRO   6          1HB       PRO   6  11.547 -10.682 -11.175
   33   2HB   PRO   6          2HB       PRO   6   9.800 -10.530 -11.379
   34   1HG   PRO   6          1HG       PRO   6  11.454 -10.162 -13.438
   35   2HG   PRO   6          2HG       PRO   6  10.003  -9.158 -13.238
   36   1HD   PRO   6          1HD       PRO   6  12.861  -8.505 -12.635
   37   2HD   PRO   6          2HD       PRO   6  11.602  -7.492 -13.364
   38    H    ALA   7           H        ALA   7  13.108  -8.226  -9.810
   39    HA   ALA   7           HA       ALA   7  13.408 -10.049  -7.642
   40   1HB   ALA   7          1HB       ALA   7  15.333  -9.296  -8.933
   41   2HB   ALA   7          2HB       ALA   7  15.066  -7.640  -8.386
   42   3HB   ALA   7          3HB       ALA   7  15.531  -8.886  -7.230
   43    H    ARG   8           H        ARG   8  11.972  -6.975  -7.933
   44    HA   ARG   8           HA       ARG   8  12.357  -6.166  -5.195
   45   1HB   ARG   8          1HB       ARG   8  10.764  -5.126  -7.514
   46   2HB   ARG   8          2HB       ARG   8  10.476  -4.507  -5.893
   47   1HG   ARG   8          1HG       ARG   8  13.177  -4.315  -6.052
   48   2HG   ARG   8          2HG       ARG   8  12.705  -4.026  -7.731
   49   1HD   ARG   8          1HD       ARG   8  11.800  -2.028  -7.255
   50   2HD   ARG   8          2HD       ARG   8  11.058  -2.612  -5.765
   51    HE   ARG   8           HE       ARG   8  13.447  -2.420  -4.849
   52   1HH1  ARG   8          2HH1      ARG   8  12.085  -0.297  -7.289
   53   2HH1  ARG   8          1HH1      ARG   8  13.098   1.046  -6.852
   54   1HH2  ARG   8          2HH2      ARG   8  14.792  -0.697  -4.310
   55   2HH2  ARG   8          1HH2      ARG   8  14.662   0.808  -5.172
   56    H    ALA   9           H        ALA   9  10.263  -8.284  -6.825
   57    HA   ALA   9           HA       ALA   9   7.806  -7.863  -5.583
   58   1HB   ALA   9          1HB       ALA   9   8.012 -10.625  -6.012
   59   2HB   ALA   9          2HB       ALA   9   7.290  -9.418  -7.074
   60   3HB   ALA   9          3HB       ALA   9   8.987  -9.860  -7.265
   61    H    ALA  10           H        ALA  10  10.408 -10.114  -4.637
   62    HA   ALA  10           HA       ALA  10   9.074 -11.135  -2.372
   63   1HB   ALA  10          1HB       ALA  10  11.054 -12.145  -3.574
   64   2HB   ALA  10          2HB       ALA  10  12.062 -11.009  -2.679
   65   3HB   ALA  10          3HB       ALA  10  11.096 -12.204  -1.812
   66    H    ALA  11           H        ALA  11  10.852  -8.210  -2.857
   67    HA   ALA  11           HA       ALA  11  11.213  -7.762  -0.002
   68   1HB   ALA  11          1HB       ALA  11  12.477  -6.839  -2.383
   69   2HB   ALA  11          2HB       ALA  11  11.872  -5.446  -1.486
   70   3HB   ALA  11          3HB       ALA  11  12.964  -6.591  -0.705
   71    H    LYS  12           H        LYS  12   8.975  -7.081  -2.484
   72    HA   LYS  12           HA       LYS  12   7.948  -4.632  -1.388
   73   1HB   LYS  12          1HB       LYS  12   7.336  -6.382  -3.697
   74   2HB   LYS  12          2HB       LYS  12   6.029  -5.375  -3.097
   75   1HG   LYS  12          1HG       LYS  12   7.613  -3.422  -3.299
   76   2HG   LYS  12          2HG       LYS  12   8.685  -4.509  -4.186
   77   1HD   LYS  12          1HD       LYS  12   7.396  -4.467  -6.033
   78   2HD   LYS  12          2HD       LYS  12   5.896  -4.519  -5.102
   79   1HE   LYS  12          2HE       LYS  12   7.622  -2.059  -5.408
   80   2HE   LYS  12          1HE       LYS  12   6.224  -2.425  -6.421
   81   1HZ   LYS  12          1HZ       LYS  12   4.971  -2.585  -4.218
   82   2HZ   LYS  12          2HZ       LYS  12   5.392  -1.038  -4.770
   83   3HZ   LYS  12          3HZ       LYS  12   6.294  -1.773  -3.542
   84    H    THR  13           H        THR  13   7.271  -8.009  -1.038
   85    HA   THR  13           HA       THR  13   4.564  -8.117  -0.716
   86    HB   THR  13           HB       THR  13   6.015  -9.803   1.198
   87    HG1  THR  13           1HG      THR  13   6.569 -10.378  -1.502
   88   1HG2  THR  13          1HG2      THR  13   4.454 -11.296   0.586
   89   2HG2  THR  13          2HG2      THR  13   4.734 -11.015  -1.132
   90   3HG2  THR  13          3HG2      THR  13   3.673  -9.936  -0.226
   91    H    ALA  14           H        ALA  14   6.904  -7.436   1.904
   92    HA   ALA  14           HA       ALA  14   5.045  -7.436   3.998
   93   1HB   ALA  14          1HB       ALA  14   6.728  -6.609   5.344
   94   2HB   ALA  14          2HB       ALA  14   7.642  -7.370   4.043
   95   3HB   ALA  14          3HB       ALA  14   7.412  -5.622   4.056
   96    H    ALA  15           H        ALA  15   6.226  -4.736   2.008
   97    HA   ALA  15           HA       ALA  15   4.614  -2.815   3.424
   98   1HB   ALA  15          1HB       ALA  15   6.873  -2.680   1.813
   99   2HB   ALA  15          2HB       ALA  15   5.606  -1.897   0.867
  100   3HB   ALA  15          3HB       ALA  15   5.978  -1.320   2.492
  101    H    ASP  16           H        ASP  16   4.455  -4.570   0.394
  102    HA   ASP  16           HA       ASP  16   2.335  -3.096  -0.771
  103   1HB   ASP  16          1HB       ASP  16   3.740  -5.641  -1.321
  104   2HB   ASP  16          2HB       ASP  16   2.091  -5.542  -1.934
  105    H    ALA  17           H        ALA  17   2.440  -5.940   1.305
  106    HA   ALA  17           HA       ALA  17  -0.262  -6.678   1.110
  107   1HB   ALA  17          1HB       ALA  17   1.283  -7.011   3.651
  108   2HB   ALA  17          2HB       ALA  17   0.120  -8.104   2.897
  109   3HB   ALA  17          3HB       ALA  17   1.729  -7.911   2.201
  110    H    LEU  18           H        LEU  18   1.344  -4.234   3.050
  111    HA   LEU  18           HA       LEU  18  -0.814  -3.678   4.790
  112   1HB   LEU  18          1HB       LEU  18   1.081  -2.717   5.604
  113   2HB   LEU  18          2HB       LEU  18   1.713  -2.359   4.009
  114    HG   LEU  18           HG       LEU  18  -0.461  -0.645   4.259
  115   1HD1  LEU  18          1HD1      LEU  18   1.057  -0.069   6.706
  116   2HD1  LEU  18          2HD1      LEU  18  -0.655   0.153   6.343
  117   3HD1  LEU  18          3HD1      LEU  18  -0.048  -1.439   6.795
  118   1HD2  LEU  18          1HD2      LEU  18   1.422   0.158   3.185
  119   2HD2  LEU  18          2HD2      LEU  18   1.463   1.042   4.711
  120   3HD2  LEU  18          3HD2      LEU  18   2.505  -0.360   4.476
  121    H    ALA  19           H        ALA  19   0.208  -2.249   1.710
  122    HA   ALA  19           HA       ALA  19  -1.902  -0.364   1.543
  123   1HB   ALA  19          1HB       ALA  19   0.064  -1.497  -0.408
  124   2HB   ALA  19          2HB       ALA  19  -1.261  -0.478  -0.974
  125   3HB   ALA  19          3HB       ALA  19  -0.095   0.154   0.189
  126    H    ALA  20           H        ALA  20  -1.493  -3.674   0.479
  127    HA   ALA  20           HA       ALA  20  -3.741  -3.950  -1.147
  128   1HB   ALA  20          1HB       ALA  20  -1.761  -5.570  -0.643
  129   2HB   ALA  20          2HB       ALA  20  -2.837  -6.200   0.604
  130   3HB   ALA  20          3HB       ALA  20  -3.338  -6.222  -1.087
  131    H    ALA  21           H        ALA  21  -3.402  -4.101   2.353
  132    HA   ALA  21           HA       ALA  21  -6.029  -5.095   2.865
  133   1HB   ALA  21          1HB       ALA  21  -5.022  -5.444   4.816
  134   2HB   ALA  21          2HB       ALA  21  -3.708  -4.345   4.395
  135   3HB   ALA  21          3HB       ALA  21  -5.179  -3.716   5.140
  136    H    LYS  22           H        LYS  22  -4.605  -1.912   2.536
  137    HA   LYS  22           HA       LYS  22  -6.840  -0.461   3.541
  138   1HB   LYS  22          1HB       LYS  22  -4.637   0.434   1.673
  139   2HB   LYS  22          2HB       LYS  22  -5.763   1.499   2.500
  140   1HG   LYS  22          1HG       LYS  22  -4.712   1.303   4.494
  141   2HG   LYS  22          2HG       LYS  22  -4.181  -0.351   4.179
  142   1HD   LYS  22          1HD       LYS  22  -2.216   0.335   3.352
  143   2HD   LYS  22          2HD       LYS  22  -2.986   1.567   2.346
  144   1HE   LYS  22          2HE       LYS  22  -3.273   2.628   4.846
  145   2HE   LYS  22          1HE       LYS  22  -1.723   1.798   4.983
  146   1HZ   LYS  22          1HZ       LYS  22  -2.488   3.969   3.128
  147   2HZ   LYS  22          2HZ       LYS  22  -1.142   2.978   2.822
  148   3HZ   LYS  22          3HZ       LYS  22  -1.197   3.923   4.227
  149    H    LYS  23           H        LYS  23  -5.800  -1.502   0.346
  150    HA   LYS  23           HA       LYS  23  -7.642  -0.071  -1.195
  151   1HB   LYS  23          1HB       LYS  23  -6.264  -2.709  -1.669
  152   2HB   LYS  23          2HB       LYS  23  -7.269  -1.928  -2.880
  153   1HG   LYS  23          1HG       LYS  23  -5.791  -0.074  -3.028
  154   2HG   LYS  23          2HG       LYS  23  -4.884  -0.613  -1.614
  155   1HD   LYS  23          1HD       LYS  23  -3.663  -2.072  -2.808
  156   2HD   LYS  23          2HD       LYS  23  -5.058  -2.609  -3.743
  157   1HE   LYS  23          2HE       LYS  23  -4.237   0.111  -4.379
  158   2HE   LYS  23          1HE       LYS  23  -2.971  -1.076  -4.676
  159   1HZ   LYS  23          1HZ       LYS  23  -5.407  -2.087  -5.652
  160   2HZ   LYS  23          2HZ       LYS  23  -4.007  -1.675  -6.523
  161   3HZ   LYS  23          3HZ       LYS  23  -5.206  -0.511  -6.244
  162    H    THR  24           H        THR  24  -7.946  -3.183   0.454
  163    HA   THR  24           HA       THR  24 -10.336  -4.011  -0.791
  164    HB   THR  24           HB       THR  24 -10.149  -4.924   1.954
  165    HG1  THR  24           1HG      THR  24  -7.808  -5.119   0.326
  166   1HG2  THR  24          1HG2      THR  24 -11.215  -6.405   0.560
  167   2HG2  THR  24          2HG2      THR  24  -9.589  -7.089   0.551
  168   3HG2  THR  24          3HG2      THR  24 -10.134  -6.080  -0.792
  169    H    ALA  25           H        ALA  25  -9.704  -2.092   2.108
  170    HA   ALA  25           HA       ALA  25 -12.427  -1.945   2.937
  171   1HB   ALA  25          1HB       ALA  25  -9.912  -0.511   3.694
  172   2HB   ALA  25          2HB       ALA  25 -11.472   0.082   4.262
  173   3HB   ALA  25          3HB       ALA  25 -10.948  -1.550   4.673
  174    H    ALA  26           H        ALA  26 -10.277   0.166   1.104
  175    HA   ALA  26           HA       ALA  26 -12.073   2.318   0.800
  176   1HB   ALA  26          1HB       ALA  26  -9.808   2.782   0.408
  177   2HB   ALA  26          2HB       ALA  26  -9.640   1.448  -0.731
  178   3HB   ALA  26          3HB       ALA  26 -10.569   2.878  -1.180
  179    H    ASP  27           H        ASP  27 -11.340  -0.458  -1.282
  180    HA   ASP  27           HA       ASP  27 -13.003   0.261  -3.431
  181   1HB   ASP  27          1HB       ASP  27 -11.318  -1.426  -3.734
  182   2HB   ASP  27          2HB       ASP  27 -12.032  -2.440  -2.483
  183    H    ALA  28           H        ALA  28 -13.604  -1.727  -0.565
  184    HA   ALA  28           HA       ALA  28 -16.180  -2.601  -1.223
  185   1HB   ALA  28          1HB       ALA  28 -16.446  -3.063   1.156
  186   2HB   ALA  28          2HB       ALA  28 -14.853  -3.565   0.588
  187   3HB   ALA  28          3HB       ALA  28 -15.029  -2.076   1.515
  188    H    ALA  29           H        ALA  29 -15.129   0.226   0.652
  189    HA   ALA  29           HA       ALA  29 -17.704   1.203   1.243
  190   1HB   ALA  29          1HB       ALA  29 -15.566   3.201   0.925
  191   2HB   ALA  29          2HB       ALA  29 -16.629   2.878   2.296
  192   3HB   ALA  29          3HB       ALA  29 -15.207   1.868   2.027
  193    H    ALA  30           H        ALA  30 -15.458   1.906  -1.399
  194    HA   ALA  30           HA       ALA  30 -16.964   3.966  -2.595
  195   1HB   ALA  30          1HB       ALA  30 -15.106   2.096  -4.041
  196   2HB   ALA  30          2HB       ALA  30 -15.504   3.763  -4.452
  197   3HB   ALA  30          3HB       ALA  30 -14.546   3.413  -3.014
  198    H    ALA  31           H        ALA  31 -17.097   0.472  -2.901
  199    HA   ALA  31           HA       ALA  31 -18.624   0.351  -5.266
  200   1HB   ALA  31          1HB       ALA  31 -17.629  -1.494  -3.310
  201   2HB   ALA  31          2HB       ALA  31 -19.301  -1.884  -3.710
  202   3HB   ALA  31          3HB       ALA  31 -18.089  -1.782  -4.989
  203    H    ALA  32           H        ALA  32 -19.579   0.397  -1.845
  204    HA   ALA  32           HA       ALA  32 -22.363   0.070  -2.439
  205   1HB   ALA  32          1HB       ALA  32 -22.289  -0.595  -0.326
  206   2HB   ALA  32          2HB       ALA  32 -20.702   0.140  -0.088
  207   3HB   ALA  32          3HB       ALA  32 -22.163   1.102   0.138
  208    H    ALA  33           H        ALA  33 -20.240   2.711  -2.479
  209    HA   ALA  33           HA       ALA  33 -22.164   4.749  -1.845
  210   1HB   ALA  33          1HB       ALA  33 -20.410   6.136  -1.827
  211   2HB   ALA  33          2HB       ALA  33 -19.432   4.675  -1.960
  212   3HB   ALA  33          3HB       ALA  33 -19.849   5.594  -3.409
  213    H    ALA  34           H        ALA  34 -21.517   2.848  -4.569
  214    HA   ALA  34           HA       ALA  34 -22.594   4.825  -6.439
  215   1HB   ALA  34          1HB       ALA  34 -21.046   3.927  -7.764
  216   2HB   ALA  34          2HB       ALA  34 -20.786   2.574  -6.660
  217   3HB   ALA  34          3HB       ALA  34 -22.076   2.497  -7.861
  218    H    ALA  35           H        ALA  35 -24.313   3.683  -4.431
  219    HA   ALA  35           HA       ALA  35 -26.201   2.228  -6.159
  220   1HB   ALA  35          1HB       ALA  35 -26.917   1.203  -3.832
  221   2HB   ALA  35          2HB       ALA  35 -25.618   0.487  -4.790
  222   3HB   ALA  35          3HB       ALA  35 -25.233   1.543  -3.430
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1  27.466 -11.432   3.942
    2   2H    GLY   1          2H        GLY   1  29.113 -11.205   3.615
    3   3H    GLY   1          3H        GLY   1  28.437 -12.760   3.528
    4   1HA   GLY   1          2HA       GLY   1  28.684 -10.870   1.488
    5   2HA   GLY   1          1HA       GLY   1  27.972 -12.476   1.399
    6    H    SER   2           H        SER   2  26.602 -11.241  -0.230
    7    HA   SER   2           HA       SER   2  24.668  -9.414   0.893
    8   1HB   SER   2          1HB       SER   2  24.379 -10.614  -1.834
    9   2HB   SER   2          2HB       SER   2  24.020  -8.975  -1.285
   10    HG   SER   2           HG       SER   2  26.005  -9.389  -2.625
   11    H    MET   3           H        MET   3  23.815 -10.929   2.496
   12    HA   MET   3           HA       MET   3  21.779 -12.678   1.282
   13   1HB   MET   3          1HB       MET   3  23.736 -13.590   2.882
   14   2HB   MET   3          2HB       MET   3  22.548 -13.156   4.104
   15   1HG   MET   3          1HG       MET   3  22.658 -15.494   2.560
   16   2HG   MET   3          2HG       MET   3  21.415 -15.008   3.710
   17   1HE   MET   3          1HE       MET   3  19.355 -16.462   0.927
   18   2HE   MET   3          2HE       MET   3  20.169 -16.674   2.476
   19   3HE   MET   3          3HE       MET   3  18.776 -15.598   2.353
   20    H    ASN   4           H        ASN   4  21.143 -10.144   1.416
   21    HA   ASN   4           HA       ASN   4  19.634  -9.642   3.862
   22   1HB   ASN   4          1HB       ASN   4  18.996  -7.676   1.990
   23   2HB   ASN   4          2HB       ASN   4  20.096  -7.507   3.348
   24   1HD2  ASN   4          1HD2      ASN   4  21.697  -6.317   2.600
   25   2HD2  ASN   4          2HD2      ASN   4  22.619  -6.638   1.166
   26    H    ALA   5           H        ALA   5  19.208 -11.508   1.336
   27    HA   ALA   5           HA       ALA   5  16.906 -10.825   0.012
   28   1HB   ALA   5          1HB       ALA   5  16.598 -13.320  -0.309
   29   2HB   ALA   5          2HB       ALA   5  18.142 -12.633  -0.817
   30   3HB   ALA   5          3HB       ALA   5  18.030 -13.519   0.704
   31    HA   PRO   6           HA       PRO   6  14.204 -13.249   3.280
   32   1HB   PRO   6          1HB       PRO   6  15.835 -12.908   5.729
   33   2HB   PRO   6          2HB       PRO   6  14.911 -14.310   5.179
   34   1HG   PRO   6          1HG       PRO   6  17.573 -14.308   5.065
   35   2HG   PRO   6          2HG       PRO   6  16.607 -15.036   3.766
   36   1HD   PRO   6          1HD       PRO   6  17.980 -12.368   3.837
   37   2HD   PRO   6          2HD       PRO   6  17.895 -13.555   2.517
   38    H    ALA   7           H        ALA   7  16.274 -10.711   4.698
   39    HA   ALA   7           HA       ALA   7  14.173  -9.384   6.060
   40   1HB   ALA   7          1HB       ALA   7  15.769  -7.535   6.299
   41   2HB   ALA   7          2HB       ALA   7  16.505  -9.090   6.690
   42   3HB   ALA   7          3HB       ALA   7  16.839  -8.321   5.139
   43    H    ARG   8           H        ARG   8  15.615  -8.996   2.872
   44    HA   ARG   8           HA       ARG   8  14.249  -6.656   2.099
   45   1HB   ARG   8          1HB       ARG   8  16.039  -8.527   0.929
   46   2HB   ARG   8          2HB       ARG   8  14.659  -8.376  -0.149
   47   1HG   ARG   8          1HG       ARG   8  15.589  -5.804   0.810
   48   2HG   ARG   8          2HG       ARG   8  16.841  -6.711  -0.041
   49   1HD   ARG   8          1HD       ARG   8  15.870  -6.361  -2.012
   50   2HD   ARG   8          2HD       ARG   8  14.299  -6.885  -1.404
   51    HE   ARG   8           HE       ARG   8  13.793  -4.657  -0.836
   52   1HH1  ARG   8          2HH1      ARG   8  16.943  -4.980  -2.333
   53   2HH1  ARG   8          1HH1      ARG   8  17.074  -3.295  -2.737
   54   1HH2  ARG   8          2HH2      ARG   8  13.956  -2.427  -1.354
   55   2HH2  ARG   8          1HH2      ARG   8  15.388  -1.834  -2.147
   56    H    ALA   9           H        ALA   9  13.472 -10.089   1.749
   57    HA   ALA   9           HA       ALA   9  11.126  -9.814   0.243
   58   1HB   ALA   9          1HB       ALA   9  11.153 -11.993   2.218
   59   2HB   ALA   9          2HB       ALA   9  10.933 -12.044   0.467
   60   3HB   ALA   9          3HB       ALA   9  12.556 -11.919   1.149
   61    H    ALA  10           H        ALA  10  11.652  -9.851   3.734
   62    HA   ALA  10           HA       ALA  10   9.000  -9.831   4.595
   63   1HB   ALA  10          1HB       ALA  10  11.500  -8.697   5.823
   64   2HB   ALA  10          2HB       ALA  10   9.940  -8.700   6.648
   65   3HB   ALA  10          3HB       ALA  10  10.699 -10.225   6.190
   66    H    ALA  11           H        ALA  11  11.124  -7.137   3.717
   67    HA   ALA  11           HA       ALA  11   9.304  -5.079   4.413
   68   1HB   ALA  11          1HB       ALA  11  11.555  -4.979   2.408
   69   2HB   ALA  11          2HB       ALA  11  10.781  -3.603   3.193
   70   3HB   ALA  11          3HB       ALA  11  11.737  -4.739   4.144
   71    H    LYS  12           H        LYS  12   9.885  -6.939   1.496
   72    HA   LYS  12           HA       LYS  12   8.331  -5.392  -0.272
   73   1HB   LYS  12          1HB       LYS  12  10.009  -7.304  -0.783
   74   2HB   LYS  12          2HB       LYS  12   8.634  -8.372  -0.543
   75   1HG   LYS  12          1HG       LYS  12   7.414  -7.125  -2.304
   76   2HG   LYS  12          2HG       LYS  12   8.874  -6.177  -2.592
   77   1HD   LYS  12          1HD       LYS  12   9.360  -7.760  -4.105
   78   2HD   LYS  12          2HD       LYS  12   9.830  -8.733  -2.709
   79   1HE   LYS  12          2HE       LYS  12   8.393 -10.153  -3.823
   80   2HE   LYS  12          1HE       LYS  12   7.317  -9.392  -2.653
   81   1HZ   LYS  12          1HZ       LYS  12   6.761  -7.771  -4.479
   82   2HZ   LYS  12          2HZ       LYS  12   6.201  -9.355  -4.711
   83   3HZ   LYS  12          3HZ       LYS  12   7.569  -8.808  -5.550
   84    H    THR  13           H        THR  13   7.506  -8.334   1.578
   85    HA   THR  13           HA       THR  13   4.821  -8.435   0.714
   86    HB   THR  13           HB       THR  13   4.865  -9.578   3.271
   87    HG1  THR  13           1HG      THR  13   7.209 -10.445   1.926
   88   1HG2  THR  13          1HG2      THR  13   3.827 -10.968   1.841
   89   2HG2  THR  13          2HG2      THR  13   5.434 -11.650   1.577
   90   3HG2  THR  13          3HG2      THR  13   4.799 -10.431   0.471
   91    H    ALA  14           H        ALA  14   6.430  -6.734   3.310
   92    HA   ALA  14           HA       ALA  14   4.157  -5.986   4.789
   93   1HB   ALA  14          1HB       ALA  14   6.371  -4.047   4.680
   94   2HB   ALA  14          2HB       ALA  14   5.588  -4.797   6.070
   95   3HB   ALA  14          3HB       ALA  14   6.811  -5.684   5.157
   96    H    ALA  15           H        ALA  15   5.843  -4.414   2.100
   97    HA   ALA  15           HA       ALA  15   4.134  -2.116   2.113
   98   1HB   ALA  15          1HB       ALA  15   6.288  -3.119   0.285
   99   2HB   ALA  15          2HB       ALA  15   5.292  -1.732  -0.158
  100   3HB   ALA  15          3HB       ALA  15   6.271  -1.682   1.307
  101    H    ASP  16           H        ASP  16   4.399  -5.033   0.125
  102    HA   ASP  16           HA       ASP  16   2.463  -4.280  -1.789
  103   1HB   ASP  16          1HB       ASP  16   4.228  -6.357  -1.549
  104   2HB   ASP  16          2HB       ASP  16   2.691  -7.165  -1.264
  105    H    ALA  17           H        ALA  17   2.215  -6.027   1.269
  106    HA   ALA  17           HA       ALA  17  -0.544  -6.680   0.970
  107   1HB   ALA  17          1HB       ALA  17  -0.291  -6.847   3.589
  108   2HB   ALA  17          2HB       ALA  17   0.421  -8.053   2.516
  109   3HB   ALA  17          3HB       ALA  17   1.427  -6.770   3.192
  110    H    LEU  18           H        LEU  18   1.221  -3.989   2.394
  111    HA   LEU  18           HA       LEU  18  -0.884  -2.739   3.733
  112   1HB   LEU  18          1HB       LEU  18   1.766  -2.195   3.316
  113   2HB   LEU  18          2HB       LEU  18   0.987  -0.925   2.390
  114    HG   LEU  18           HG       LEU  18  -0.413  -0.746   4.695
  115   1HD1  LEU  18          1HD1      LEU  18   1.068  -2.560   5.641
  116   2HD1  LEU  18          2HD1      LEU  18   2.378  -1.382   5.600
  117   3HD1  LEU  18          3HD1      LEU  18   0.947  -1.077   6.587
  118   1HD2  LEU  18          1HD2      LEU  18   0.981   0.950   3.323
  119   2HD2  LEU  18          2HD2      LEU  18   0.700   1.254   5.039
  120   3HD2  LEU  18          3HD2      LEU  18   2.248   0.604   4.499
  121    H    ALA  19           H        ALA  19   0.168  -2.510   0.373
  122    HA   ALA  19           HA       ALA  19  -1.745  -0.542  -0.384
  123   1HB   ALA  19          1HB       ALA  19   0.201  -0.763  -1.725
  124   2HB   ALA  19          2HB       ALA  19  -0.088  -2.482  -1.983
  125   3HB   ALA  19          3HB       ALA  19  -1.158  -1.288  -2.717
  126    H    ALA  20           H        ALA  20  -1.662  -4.066  -0.486
  127    HA   ALA  20           HA       ALA  20  -4.056  -4.447  -1.932
  128   1HB   ALA  20          1HB       ALA  20  -3.937  -6.734  -1.257
  129   2HB   ALA  20          2HB       ALA  20  -2.289  -6.175  -1.553
  130   3HB   ALA  20          3HB       ALA  20  -2.880  -6.337   0.101
  131    H    ALA  21           H        ALA  21  -3.381  -4.292   1.552
  132    HA   ALA  21           HA       ALA  21  -6.044  -4.750   2.394
  133   1HB   ALA  21          1HB       ALA  21  -3.962  -3.170   3.893
  134   2HB   ALA  21          2HB       ALA  21  -5.335  -4.055   4.560
  135   3HB   ALA  21          3HB       ALA  21  -3.990  -4.933   3.828
  136    H    LYS  22           H        LYS  22  -4.277  -1.855   1.469
  137    HA   LYS  22           HA       LYS  22  -6.191   0.058   2.265
  138   1HB   LYS  22          1HB       LYS  22  -3.735   0.025   0.808
  139   2HB   LYS  22          2HB       LYS  22  -4.920   0.915  -0.138
  140   1HG   LYS  22          1HG       LYS  22  -4.623   2.689   1.146
  141   2HG   LYS  22          2HG       LYS  22  -5.142   1.764   2.557
  142   1HD   LYS  22          1HD       LYS  22  -2.453   1.050   1.835
  143   2HD   LYS  22          2HD       LYS  22  -2.588   2.798   2.033
  144   1HE   LYS  22          2HE       LYS  22  -2.070   2.038   4.177
  145   2HE   LYS  22          1HE       LYS  22  -3.821   2.256   4.219
  146   1HZ   LYS  22          1HZ       LYS  22  -2.861  -0.375   3.426
  147   2HZ   LYS  22          2HZ       LYS  22  -4.185   0.049   4.394
  148   3HZ   LYS  22          3HZ       LYS  22  -2.622   0.046   5.051
  149    H    LYS  23           H        LYS  23  -5.772  -1.841  -0.669
  150    HA   LYS  23           HA       LYS  23  -7.775  -0.687  -2.237
  151   1HB   LYS  23          1HB       LYS  23  -6.112  -2.272  -3.109
  152   2HB   LYS  23          2HB       LYS  23  -6.846  -3.566  -2.174
  153   1HG   LYS  23          1HG       LYS  23  -8.255  -3.995  -3.819
  154   2HG   LYS  23          2HG       LYS  23  -8.859  -2.337  -3.768
  155   1HD   LYS  23          1HD       LYS  23  -6.253  -2.809  -5.103
  156   2HD   LYS  23          2HD       LYS  23  -7.706  -3.379  -5.926
  157   1HE   LYS  23          2HE       LYS  23  -8.369  -1.304  -6.437
  158   2HE   LYS  23          1HE       LYS  23  -7.947  -0.675  -4.844
  159   1HZ   LYS  23          1HZ       LYS  23  -5.552  -0.848  -5.669
  160   2HZ   LYS  23          2HZ       LYS  23  -6.511   0.403  -6.299
  161   3HZ   LYS  23          3HZ       LYS  23  -6.224  -0.988  -7.223
  162    H    THR  24           H        THR  24  -7.941  -3.366   0.096
  163    HA   THR  24           HA       THR  24 -10.678  -3.940  -0.299
  164    HB   THR  24           HB       THR  24  -9.592  -4.419   2.404
  165    HG1  THR  24           1HG      THR  24  -8.462  -5.701   0.117
  166   1HG2  THR  24          1HG2      THR  24 -11.243  -5.917   2.247
  167   2HG2  THR  24          2HG2      THR  24 -10.257  -6.801   1.082
  168   3HG2  THR  24          3HG2      THR  24 -11.427  -5.607   0.520
  169    H    ALA  25           H        ALA  25  -9.009  -1.654   1.793
  170    HA   ALA  25           HA       ALA  25 -11.181  -0.969   3.452
  171   1HB   ALA  25          1HB       ALA  25  -9.571   1.323   3.091
  172   2HB   ALA  25          2HB       ALA  25  -9.554   0.177   4.433
  173   3HB   ALA  25          3HB       ALA  25  -8.504  -0.080   3.037
  174    H    ALA  26           H        ALA  26  -9.954   0.533   0.478
  175    HA   ALA  26           HA       ALA  26 -12.025   2.452   0.251
  176   1HB   ALA  26          1HB       ALA  26  -9.735   2.380  -0.923
  177   2HB   ALA  26          2HB       ALA  26 -10.537   1.342  -2.103
  178   3HB   ALA  26          3HB       ALA  26 -11.122   2.983  -1.831
  179    H    ASP  27           H        ASP  27 -11.633  -0.844  -0.839
  180    HA   ASP  27           HA       ASP  27 -13.772  -0.960  -2.667
  181   1HB   ASP  27          1HB       ASP  27 -11.804  -2.710  -1.742
  182   2HB   ASP  27          2HB       ASP  27 -13.326  -3.470  -1.283
  183    H    ALA  28           H        ALA  28 -13.586  -1.909   0.753
  184    HA   ALA  28           HA       ALA  28 -16.212  -2.841   1.018
  185   1HB   ALA  28          1HB       ALA  28 -15.734  -2.008   3.509
  186   2HB   ALA  28          2HB       ALA  28 -14.992  -3.456   2.831
  187   3HB   ALA  28          3HB       ALA  28 -14.088  -1.942   2.877
  188    H    ALA  29           H        ALA  29 -14.872   0.402   1.385
  189    HA   ALA  29           HA       ALA  29 -17.285   1.613   2.277
  190   1HB   ALA  29          1HB       ALA  29 -14.735   2.436   2.237
  191   2HB   ALA  29          2HB       ALA  29 -15.329   3.264   0.798
  192   3HB   ALA  29          3HB       ALA  29 -16.102   3.545   2.360
  193    H    ALA  30           H        ALA  30 -15.718   1.298  -0.883
  194    HA   ALA  30           HA       ALA  30 -17.536   2.871  -2.349
  195   1HB   ALA  30          1HB       ALA  30 -16.612   1.207  -4.237
  196   2HB   ALA  30          2HB       ALA  30 -15.680   2.558  -3.592
  197   3HB   ALA  30          3HB       ALA  30 -15.409   0.929  -2.977
  198    H    ALA  31           H        ALA  31 -17.526  -0.554  -1.521
  199    HA   ALA  31           HA       ALA  31 -19.642  -1.317  -3.249
  200   1HB   ALA  31          1HB       ALA  31 -19.513  -3.406  -2.262
  201   2HB   ALA  31          2HB       ALA  31 -17.886  -2.767  -2.015
  202   3HB   ALA  31          3HB       ALA  31 -19.050  -2.749  -0.692
  203    H    ALA  32           H        ALA  32 -19.575   0.340  -0.245
  204    HA   ALA  32           HA       ALA  32 -22.302  -0.351   0.472
  205   1HB   ALA  32          1HB       ALA  32 -20.027   0.650   1.848
  206   2HB   ALA  32          2HB       ALA  32 -21.345   1.808   2.036
  207   3HB   ALA  32          3HB       ALA  32 -21.575   0.125   2.511
  208    H    ALA  33           H        ALA  33 -21.243   1.434  -1.917
  209    HA   ALA  33           HA       ALA  33 -22.623   3.911  -1.534
  210   1HB   ALA  33          1HB       ALA  33 -22.085   4.403  -3.795
  211   2HB   ALA  33          2HB       ALA  33 -20.697   3.545  -3.127
  212   3HB   ALA  33          3HB       ALA  33 -21.835   2.700  -4.178
  213    H    ALA  34           H        ALA  34 -23.527   0.744  -2.423
  214    HA   ALA  34           HA       ALA  34 -26.279   1.621  -2.824
  215   1HB   ALA  34          1HB       ALA  34 -24.577   0.536  -4.919
  216   2HB   ALA  34          2HB       ALA  34 -26.043  -0.414  -4.677
  217   3HB   ALA  34          3HB       ALA  34 -26.158   1.309  -5.034
  218    H    ALA  35           H        ALA  35 -27.396   0.537  -1.346
  219    HA   ALA  35           HA       ALA  35 -26.493  -2.144  -0.558
  220   1HB   ALA  35          1HB       ALA  35 -28.023  -1.845   1.387
  221   2HB   ALA  35          2HB       ALA  35 -26.712  -0.667   1.317
  222   3HB   ALA  35          3HB       ALA  35 -28.343  -0.204   0.824
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1  30.473 -15.731   1.468
    2   2H    GLY   1          2H        GLY   1  29.958 -15.920  -0.137
    3   3H    GLY   1          3H        GLY   1  29.398 -16.980   1.061
    4   1HA   GLY   1          2HA       GLY   1  28.396 -14.969   2.183
    5   2HA   GLY   1          1HA       GLY   1  28.715 -14.130   0.669
    6    H    SER   2           H        SER   2  26.140 -14.610   1.837
    7    HA   SER   2           HA       SER   2  24.987 -16.359  -0.228
    8   1HB   SER   2          1HB       SER   2  23.278 -16.220   2.081
    9   2HB   SER   2          2HB       SER   2  24.018 -17.638   1.337
   10    HG   SER   2           HG       SER   2  25.332 -17.714   2.964
   11    H    MET   3           H        MET   3  23.163 -15.658  -1.244
   12    HA   MET   3           HA       MET   3  22.472 -12.875  -1.043
   13   1HB   MET   3          1HB       MET   3  22.183 -14.908  -2.968
   14   2HB   MET   3          2HB       MET   3  20.549 -14.449  -2.514
   15   1HG   MET   3          1HG       MET   3  21.323 -12.041  -2.894
   16   2HG   MET   3          2HG       MET   3  22.698 -12.762  -3.730
   17   1HE   MET   3          1HE       MET   3  20.885 -14.878  -6.472
   18   2HE   MET   3          2HE       MET   3  22.374 -13.941  -6.353
   19   3HE   MET   3          3HE       MET   3  21.943 -15.079  -5.075
   20    H    ASN   4           H        ASN   4  21.153 -12.096   0.478
   21    HA   ASN   4           HA       ASN   4  19.558 -13.879   2.070
   22   1HB   ASN   4          1HB       ASN   4  20.807 -11.634   2.755
   23   2HB   ASN   4          2HB       ASN   4  19.254 -10.932   2.314
   24   1HD2  ASN   4          1HD2      ASN   4  20.851 -11.650   4.898
   25   2HD2  ASN   4          2HD2      ASN   4  19.615 -12.300   5.928
   26    H    ALA   5           H        ALA   5  17.568 -14.406   1.759
   27    HA   ALA   5           HA       ALA   5  15.903 -12.873  -0.095
   28   1HB   ALA   5          1HB       ALA   5  16.086 -15.724   0.600
   29   2HB   ALA   5          2HB       ALA   5  14.454 -15.105   0.357
   30   3HB   ALA   5          3HB       ALA   5  15.659 -14.950  -0.922
   31    HA   PRO   6           HA       PRO   6  13.140 -13.545   4.003
   32   1HB   PRO   6          1HB       PRO   6  15.484 -13.431   5.848
   33   2HB   PRO   6          2HB       PRO   6  13.934 -14.258   6.047
   34   1HG   PRO   6          1HG       PRO   6  16.099 -15.638   5.401
   35   2HG   PRO   6          2HG       PRO   6  14.541 -16.009   4.638
   36   1HD   PRO   6          1HD       PRO   6  16.899 -14.552   3.530
   37   2HD   PRO   6          2HD       PRO   6  15.775 -15.660   2.721
   38    H    ALA   7           H        ALA   7  16.196 -11.729   3.939
   39    HA   ALA   7           HA       ALA   7  15.296  -9.463   5.356
   40   1HB   ALA   7          1HB       ALA   7  17.423  -9.709   3.232
   41   2HB   ALA   7          2HB       ALA   7  17.172  -8.282   4.241
   42   3HB   ALA   7          3HB       ALA   7  17.644  -9.815   4.979
   43    H    ARG   8           H        ARG   8  15.132 -10.324   1.943
   44    HA   ARG   8           HA       ARG   8  14.030  -7.817   1.108
   45   1HB   ARG   8          1HB       ARG   8  14.529 -10.470  -0.157
   46   2HB   ARG   8          2HB       ARG   8  13.361  -9.401  -0.921
   47   1HG   ARG   8          1HG       ARG   8  15.693  -7.899  -0.295
   48   2HG   ARG   8          2HG       ARG   8  16.171  -9.376  -1.135
   49   1HD   ARG   8          1HD       ARG   8  14.548  -8.869  -2.909
   50   2HD   ARG   8          2HD       ARG   8  14.118  -7.378  -2.071
   51    HE   ARG   8           HE       ARG   8  16.422  -6.631  -2.446
   52   1HH1  ARG   8          2HH1      ARG   8  15.131  -9.210  -4.450
   53   2HH1  ARG   8          1HH1      ARG   8  16.295  -8.976  -5.721
   54   1HH2  ARG   8          2HH2      ARG   8  17.938  -6.307  -4.133
   55   2HH2  ARG   8          1HH2      ARG   8  17.894  -7.333  -5.539
   56    H    ALA   9           H        ALA   9  12.778 -10.973   2.004
   57    HA   ALA   9           HA       ALA   9  10.116 -10.674   1.237
   58   1HB   ALA   9          1HB       ALA   9   9.759 -12.280   3.272
   59   2HB   ALA   9          2HB       ALA   9  10.645 -12.828   1.848
   60   3HB   ALA   9          3HB       ALA   9  11.522 -12.314   3.291
   61    H    ALA  10           H        ALA  10  11.744  -9.758   4.237
   62    HA   ALA  10           HA       ALA  10   9.518  -8.969   5.719
   63   1HB   ALA  10          1HB       ALA  10  12.234  -9.030   6.124
   64   2HB   ALA  10          2HB       ALA  10  11.870  -7.304   6.161
   65   3HB   ALA  10          3HB       ALA  10  11.036  -8.404   7.258
   66    H    ALA  11           H        ALA  11  11.558  -7.078   3.514
   67    HA   ALA  11           HA       ALA  11  10.112  -4.646   4.014
   68   1HB   ALA  11          1HB       ALA  11  11.810  -4.740   1.633
   69   2HB   ALA  11          2HB       ALA  11  11.829  -3.629   3.002
   70   3HB   ALA  11          3HB       ALA  11  12.620  -5.200   3.131
   71    H    LYS  12           H        LYS  12   9.971  -7.213   1.683
   72    HA   LYS  12           HA       LYS  12   8.550  -5.751  -0.318
   73   1HB   LYS  12          1HB       LYS  12   9.954  -7.951  -0.498
   74   2HB   LYS  12          2HB       LYS  12   8.433  -8.734  -0.098
   75   1HG   LYS  12          1HG       LYS  12   8.749  -8.683  -2.493
   76   2HG   LYS  12          2HG       LYS  12   7.383  -7.661  -2.038
   77   1HD   LYS  12          1HD       LYS  12   9.651  -6.007  -1.962
   78   2HD   LYS  12          2HD       LYS  12   9.791  -6.960  -3.442
   79   1HE   LYS  12          2HE       LYS  12   7.188  -5.670  -2.738
   80   2HE   LYS  12          1HE       LYS  12   8.477  -4.709  -3.460
   81   1HZ   LYS  12          1HZ       LYS  12   6.850  -5.704  -5.051
   82   2HZ   LYS  12          2HZ       LYS  12   7.474  -7.229  -4.657
   83   3HZ   LYS  12          3HZ       LYS  12   8.475  -6.061  -5.379
   84    H    THR  13           H        THR  13   7.515  -8.409   1.830
   85    HA   THR  13           HA       THR  13   4.813  -8.289   1.093
   86    HB   THR  13           HB       THR  13   5.458  -9.251   3.826
   87    HG1  THR  13           1HG      THR  13   7.282 -10.053   2.924
   88   1HG2  THR  13          1HG2      THR  13   4.253 -10.957   1.728
   89   2HG2  THR  13          2HG2      THR  13   3.328  -9.542   2.230
   90   3HG2  THR  13          3HG2      THR  13   3.803 -10.751   3.423
   91    H    ALA  14           H        ALA  14   6.626  -6.500   3.485
   92    HA   ALA  14           HA       ALA  14   4.497  -5.573   5.065
   93   1HB   ALA  14          1HB       ALA  14   6.314  -4.884   6.158
   94   2HB   ALA  14          2HB       ALA  14   7.303  -4.940   4.699
   95   3HB   ALA  14          3HB       ALA  14   6.336  -3.510   5.054
   96    H    ALA  15           H        ALA  15   5.997  -4.226   2.151
   97    HA   ALA  15           HA       ALA  15   4.211  -1.967   2.073
   98   1HB   ALA  15          1HB       ALA  15   6.362  -3.019   0.273
   99   2HB   ALA  15          2HB       ALA  15   5.273  -1.748  -0.279
  100   3HB   ALA  15          3HB       ALA  15   6.285  -1.486   1.141
  101    H    ASP  16           H        ASP  16   4.512  -5.071   0.452
  102    HA   ASP  16           HA       ASP  16   2.630  -4.607  -1.595
  103   1HB   ASP  16          1HB       ASP  16   4.276  -6.773  -0.683
  104   2HB   ASP  16          2HB       ASP  16   2.653  -7.370  -1.018
  105    H    ALA  17           H        ALA  17   2.297  -6.163   1.588
  106    HA   ALA  17           HA       ALA  17  -0.375  -6.995   1.263
  107   1HB   ALA  17          1HB       ALA  17   1.070  -7.882   3.019
  108   2HB   ALA  17          2HB       ALA  17   1.076  -6.309   3.816
  109   3HB   ALA  17          3HB       ALA  17  -0.422  -7.226   3.695
  110    H    LEU  18           H        LEU  18   1.026  -4.000   2.497
  111    HA   LEU  18           HA       LEU  18  -1.375  -2.832   3.401
  112   1HB   LEU  18          1HB       LEU  18   0.723  -1.932   4.129
  113   2HB   LEU  18          2HB       LEU  18   1.222  -1.616   2.478
  114    HG   LEU  18           HG       LEU  18  -1.168  -0.179   2.835
  115   1HD1  LEU  18          1HD1      LEU  18  -1.143   0.851   4.845
  116   2HD1  LEU  18          2HD1      LEU  18  -0.354  -0.645   5.340
  117   3HD1  LEU  18          3HD1      LEU  18   0.614   0.785   4.983
  118   1HD2  LEU  18          1HD2      LEU  18   1.579   0.252   2.112
  119   2HD2  LEU  18          2HD2      LEU  18   0.139   1.140   1.616
  120   3HD2  LEU  18          3HD2      LEU  18   0.985   1.591   3.095
  121    H    ALA  19           H        ALA  19   0.289  -2.739   0.282
  122    HA   ALA  19           HA       ALA  19  -1.325  -0.852  -0.999
  123   1HB   ALA  19          1HB       ALA  19  -0.102  -1.337  -2.817
  124   2HB   ALA  19          2HB       ALA  19   0.840  -2.341  -1.715
  125   3HB   ALA  19          3HB       ALA  19  -0.430  -3.066  -2.698
  126    H    ALA  20           H        ALA  20  -1.682  -4.359  -0.700
  127    HA   ALA  20           HA       ALA  20  -4.034  -4.561  -2.276
  128   1HB   ALA  20          1HB       ALA  20  -4.185  -6.800  -1.502
  129   2HB   ALA  20          2HB       ALA  20  -2.468  -6.442  -1.682
  130   3HB   ALA  20          3HB       ALA  20  -3.205  -6.446  -0.079
  131    H    ALA  21           H        ALA  21  -3.479  -4.322   1.223
  132    HA   ALA  21           HA       ALA  21  -6.185  -4.556   1.996
  133   1HB   ALA  21          1HB       ALA  21  -3.763  -3.428   3.366
  134   2HB   ALA  21          2HB       ALA  21  -5.352  -3.451   4.131
  135   3HB   ALA  21          3HB       ALA  21  -4.578  -4.965   3.659
  136    H    LYS  22           H        LYS  22  -4.263  -1.834   0.946
  137    HA   LYS  22           HA       LYS  22  -5.958   0.245   1.792
  138   1HB   LYS  22          1HB       LYS  22  -3.840  -0.052  -0.287
  139   2HB   LYS  22          2HB       LYS  22  -4.893   1.353  -0.379
  140   1HG   LYS  22          1HG       LYS  22  -3.525   0.659   2.185
  141   2HG   LYS  22          2HG       LYS  22  -2.662   1.517   0.907
  142   1HD   LYS  22          1HD       LYS  22  -3.911   3.410   1.147
  143   2HD   LYS  22          2HD       LYS  22  -5.347   2.526   1.668
  144   1HE   LYS  22          2HE       LYS  22  -4.351   2.156   3.854
  145   2HE   LYS  22          1HE       LYS  22  -2.868   2.957   3.334
  146   1HZ   LYS  22          1HZ       LYS  22  -5.544   4.239   3.522
  147   2HZ   LYS  22          2HZ       LYS  22  -4.104   5.007   3.048
  148   3HZ   LYS  22          3HZ       LYS  22  -4.278   4.434   4.633
  149    H    LYS  23           H        LYS  23  -6.045  -1.896  -0.977
  150    HA   LYS  23           HA       LYS  23  -8.132  -0.478  -2.327
  151   1HB   LYS  23          1HB       LYS  23  -6.405  -2.213  -3.258
  152   2HB   LYS  23          2HB       LYS  23  -7.597  -3.396  -2.740
  153   1HG   LYS  23          1HG       LYS  23  -8.347  -3.109  -4.840
  154   2HG   LYS  23          2HG       LYS  23  -9.200  -1.751  -4.102
  155   1HD   LYS  23          1HD       LYS  23  -7.118  -0.374  -4.702
  156   2HD   LYS  23          2HD       LYS  23  -6.683  -1.724  -5.751
  157   1HE   LYS  23          2HE       LYS  23  -9.133   0.013  -5.890
  158   2HE   LYS  23          1HE       LYS  23  -7.847  -0.128  -7.087
  159   1HZ   LYS  23          1HZ       LYS  23  -9.824  -2.219  -6.355
  160   2HZ   LYS  23          2HZ       LYS  23  -8.532  -2.450  -7.431
  161   3HZ   LYS  23          3HZ       LYS  23  -9.764  -1.350  -7.810
  162    H    THR  24           H        THR  24  -7.955  -3.193  -0.077
  163    HA   THR  24           HA       THR  24 -10.652  -3.995  -0.219
  164    HB   THR  24           HB       THR  24  -9.256  -4.216   2.391
  165    HG1  THR  24           1HG      THR  24  -8.303  -5.396  -0.025
  166   1HG2  THR  24          1HG2      THR  24  -9.944  -6.722   1.382
  167   2HG2  THR  24          2HG2      THR  24 -11.223  -5.643   0.823
  168   3HG2  THR  24          3HG2      THR  24 -10.859  -5.765   2.546
  169    H    ALA  25           H        ALA  25  -9.013  -1.540   1.697
  170    HA   ALA  25           HA       ALA  25 -11.113  -0.880   3.436
  171   1HB   ALA  25          1HB       ALA  25  -8.572  -0.064   3.226
  172   2HB   ALA  25          2HB       ALA  25  -9.380   1.322   2.493
  173   3HB   ALA  25          3HB       ALA  25  -9.796   0.826   4.133
  174    H    ALA  26           H        ALA  26 -10.245   0.422   0.248
  175    HA   ALA  26           HA       ALA  26 -12.404   2.267   0.106
  176   1HB   ALA  26          1HB       ALA  26 -10.209   2.204  -1.256
  177   2HB   ALA  26          2HB       ALA  26 -11.080   1.086  -2.308
  178   3HB   ALA  26          3HB       ALA  26 -11.691   2.722  -2.062
  179    H    ASP  27           H        ASP  27 -11.906  -1.037  -0.968
  180    HA   ASP  27           HA       ASP  27 -14.204  -1.481  -2.453
  181   1HB   ASP  27          1HB       ASP  27 -12.381  -3.097  -2.301
  182   2HB   ASP  27          2HB       ASP  27 -12.724  -3.367  -0.599
  183    H    ALA  28           H        ALA  28 -13.710  -1.841   1.040
  184    HA   ALA  28           HA       ALA  28 -16.375  -2.602   1.630
  185   1HB   ALA  28          1HB       ALA  28 -14.672  -1.194   3.630
  186   2HB   ALA  28          2HB       ALA  28 -15.742  -2.581   3.839
  187   3HB   ALA  28          3HB       ALA  28 -14.184  -2.782   3.039
  188    H    ALA  29           H        ALA  29 -14.704   0.515   1.570
  189    HA   ALA  29           HA       ALA  29 -16.756   2.054   2.735
  190   1HB   ALA  29          1HB       ALA  29 -14.532   2.924   2.615
  191   2HB   ALA  29          2HB       ALA  29 -14.535   2.831   0.854
  192   3HB   ALA  29          3HB       ALA  29 -15.585   3.985   1.678
  193    H    ALA  30           H        ALA  30 -16.127   1.093  -0.585
  194    HA   ALA  30           HA       ALA  30 -18.193   2.710  -1.723
  195   1HB   ALA  30          1HB       ALA  30 -16.450   2.141  -3.187
  196   2HB   ALA  30          2HB       ALA  30 -16.539   0.429  -2.770
  197   3HB   ALA  30          3HB       ALA  30 -17.824   1.174  -3.722
  198    H    ALA  31           H        ALA  31 -17.968  -0.567  -0.493
  199    HA   ALA  31           HA       ALA  31 -20.513  -1.436  -1.422
  200   1HB   ALA  31          1HB       ALA  31 -20.232  -3.303   0.053
  201   2HB   ALA  31          2HB       ALA  31 -18.672  -2.947  -0.691
  202   3HB   ALA  31          3HB       ALA  31 -18.991  -2.450   0.972
  203    H    ALA  32           H        ALA  32 -19.342  -0.028   1.589
  204    HA   ALA  32           HA       ALA  32 -21.972   0.135   2.757
  205   1HB   ALA  32          1HB       ALA  32 -20.128   1.878   4.047
  206   2HB   ALA  32          2HB       ALA  32 -20.797   0.354   4.630
  207   3HB   ALA  32          3HB       ALA  32 -19.307   0.358   3.685
  208    H    ALA  33           H        ALA  33 -22.684   1.161   0.692
  209    HA   ALA  33           HA       ALA  33 -22.044   3.767  -0.045
  210   1HB   ALA  33          1HB       ALA  33 -24.087   3.783  -1.290
  211   2HB   ALA  33          2HB       ALA  33 -23.393   2.164  -1.387
  212   3HB   ALA  33          3HB       ALA  33 -24.753   2.476  -0.310
  213    H    ALA  34           H        ALA  34 -21.823   5.088   1.673
  214    HA   ALA  34           HA       ALA  34 -22.455   6.814   3.009
  215   1HB   ALA  34          1HB       ALA  34 -24.983   7.382   3.030
  216   2HB   ALA  34          2HB       ALA  34 -24.055   7.636   1.552
  217   3HB   ALA  34          3HB       ALA  34 -25.084   6.214   1.711
  218    H    ALA  35           H        ALA  35 -22.009   4.352   4.127
  219    HA   ALA  35           HA       ALA  35 -24.031   4.116   6.236
  220   1HB   ALA  35          1HB       ALA  35 -23.253   2.063   5.028
  221   2HB   ALA  35          2HB       ALA  35 -21.662   2.318   5.746
  222   3HB   ALA  35          3HB       ALA  35 -23.057   2.004   6.780
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1  31.230 -13.299   0.828
    2   2H    GLY   1          2H        GLY   1  30.701 -13.533   2.422
    3   3H    GLY   1          3H        GLY   1  30.107 -12.228   1.518
    4   1HA   GLY   1          2HA       GLY   1  29.704 -14.937   0.479
    5   2HA   GLY   1          1HA       GLY   1  28.707 -14.401   1.826
    6    H    SER   2           H        SER   2  28.717 -14.689  -1.402
    7    HA   SER   2           HA       SER   2  27.771 -12.179  -2.301
    8   1HB   SER   2          1HB       SER   2  26.803 -14.432  -3.857
    9   2HB   SER   2          2HB       SER   2  27.959 -13.177  -4.307
   10    HG   SER   2           HG       SER   2  28.577 -15.612  -4.021
   11    H    MET   3           H        MET   3  26.007 -11.305  -1.414
   12    HA   MET   3           HA       MET   3  23.688 -12.998  -0.823
   13   1HB   MET   3          1HB       MET   3  24.865 -10.736   0.454
   14   2HB   MET   3          2HB       MET   3  23.252 -10.277  -0.077
   15   1HG   MET   3          1HG       MET   3  22.467 -12.440   1.037
   16   2HG   MET   3          2HG       MET   3  24.048 -12.458   1.817
   17   1HE   MET   3          1HE       MET   3  25.045 -10.496   2.774
   18   2HE   MET   3          2HE       MET   3  24.235  -9.056   3.391
   19   3HE   MET   3          3HE       MET   3  24.299 -10.520   4.373
   20    H    ASN   4           H        ASN   4  21.777 -12.788  -1.893
   21    HA   ASN   4           HA       ASN   4  21.920 -11.291  -4.384
   22   1HB   ASN   4          1HB       ASN   4  20.880 -13.762  -3.733
   23   2HB   ASN   4          2HB       ASN   4  19.441 -12.754  -3.877
   24   1HD2  ASN   4          1HD2      ASN   4  21.002 -14.890  -5.538
   25   2HD2  ASN   4          2HD2      ASN   4  20.927 -14.232  -7.148
   26    H    ALA   5           H        ALA   5  20.950  -9.435  -4.752
   27    HA   ALA   5           HA       ALA   5  19.757  -7.952  -2.710
   28   1HB   ALA   5          1HB       ALA   5  18.984  -6.970  -5.312
   29   2HB   ALA   5          2HB       ALA   5  20.049  -6.252  -4.103
   30   3HB   ALA   5          3HB       ALA   5  20.691  -7.411  -5.267
   31    HA   PRO   6           HA       PRO   6  15.438  -8.715  -4.858
   32   1HB   PRO   6          1HB       PRO   6  15.279 -11.095  -6.245
   33   2HB   PRO   6          2HB       PRO   6  15.499  -9.509  -6.990
   34   1HG   PRO   6          1HG       PRO   6  17.531 -11.601  -6.347
   35   2HG   PRO   6          2HG       PRO   6  17.401 -10.564  -7.780
   36   1HD   PRO   6          1HD       PRO   6  19.167 -10.045  -5.830
   37   2HD   PRO   6          2HD       PRO   6  18.332  -8.739  -6.699
   38    H    ALA   7           H        ALA   7  17.472 -11.354  -3.745
   39    HA   ALA   7           HA       ALA   7  15.376 -12.894  -2.577
   40   1HB   ALA   7          1HB       ALA   7  18.267 -13.038  -2.775
   41   2HB   ALA   7          2HB       ALA   7  17.680 -13.539  -1.190
   42   3HB   ALA   7          3HB       ALA   7  17.077 -14.332  -2.644
   43    H    ARG   8           H        ARG   8  17.303 -10.203  -1.556
   44    HA   ARG   8           HA       ARG   8  16.380 -10.395   1.197
   45   1HB   ARG   8          1HB       ARG   8  18.154  -8.384  -0.199
   46   2HB   ARG   8          2HB       ARG   8  17.750  -8.331   1.510
   47   1HG   ARG   8          1HG       ARG   8  19.057 -10.724   0.269
   48   2HG   ARG   8          2HG       ARG   8  19.985  -9.346   0.861
   49   1HD   ARG   8          1HD       ARG   8  17.987 -10.836   2.546
   50   2HD   ARG   8          2HD       ARG   8  19.698 -11.261   2.476
   51    HE   ARG   8           HE       ARG   8  19.795  -8.641   3.078
   52   1HH1  ARG   8          2HH1      ARG   8  17.888 -11.247   4.433
   53   2HH1  ARG   8          1HH1      ARG   8  17.908 -10.596   6.041
   54   1HH2  ARG   8          2HH2      ARG   8  19.823  -7.774   5.195
   55   2HH2  ARG   8          1HH2      ARG   8  19.010  -8.623   6.481
   56    H    ALA   9           H        ALA   9  15.146  -9.309  -1.644
   57    HA   ALA   9           HA       ALA   9  13.942  -6.858  -0.673
   58   1HB   ALA   9          1HB       ALA   9  14.581  -6.744  -2.927
   59   2HB   ALA   9          2HB       ALA   9  13.881  -8.318  -3.294
   60   3HB   ALA   9          3HB       ALA   9  12.828  -6.941  -2.971
   61    H    ALA  10           H        ALA  10  13.299 -10.038  -0.226
   62    HA   ALA  10           HA       ALA  10  10.543 -10.282  -0.760
   63   1HB   ALA  10          1HB       ALA  10  12.417 -12.039  -0.136
   64   2HB   ALA  10          2HB       ALA  10  11.737 -11.816   1.478
   65   3HB   ALA  10          3HB       ALA  10  10.704 -12.355   0.153
   66    H    ALA  11           H        ALA  11  12.027  -8.307   1.463
   67    HA   ALA  11           HA       ALA  11  10.019  -8.495   3.532
   68   1HB   ALA  11          1HB       ALA  11  12.013  -6.270   3.211
   69   2HB   ALA  11          2HB       ALA  11  11.223  -6.832   4.680
   70   3HB   ALA  11          3HB       ALA  11  12.446  -7.834   3.900
   71    H    LYS  12           H        LYS  12  10.176  -7.120   0.487
   72    HA   LYS  12           HA       LYS  12   8.759  -4.689   1.046
   73   1HB   LYS  12          1HB       LYS  12   9.094  -4.141  -1.136
   74   2HB   LYS  12          2HB       LYS  12  10.348  -5.360  -0.980
   75   1HG   LYS  12          1HG       LYS  12   9.349  -6.748  -2.434
   76   2HG   LYS  12          2HG       LYS  12   7.738  -6.413  -1.793
   77   1HD   LYS  12          1HD       LYS  12   8.174  -4.067  -2.947
   78   2HD   LYS  12          2HD       LYS  12   9.253  -5.039  -3.951
   79   1HE   LYS  12          2HE       LYS  12   6.590  -6.205  -3.498
   80   2HE   LYS  12          1HE       LYS  12   6.594  -4.697  -4.412
   81   1HZ   LYS  12          1HZ       LYS  12   8.155  -7.135  -5.072
   82   2HZ   LYS  12          2HZ       LYS  12   8.193  -5.681  -5.941
   83   3HZ   LYS  12          3HZ       LYS  12   6.763  -6.594  -5.878
   84    H    THR  13           H        THR  13   7.839  -7.926   0.777
   85    HA   THR  13           HA       THR  13   5.285  -7.675  -0.382
   86    HB   THR  13           HB       THR  13   5.713  -9.687   1.769
   87    HG1  THR  13           1HG      THR  13   6.980 -10.046  -0.745
   88   1HG2  THR  13          1HG2      THR  13   4.376  -9.505  -0.888
   89   2HG2  THR  13          2HG2      THR  13   3.790 -10.192   0.628
   90   3HG2  THR  13          3HG2      THR  13   4.948 -11.086  -0.355
   91    H    ALA  14           H        ALA  14   6.523  -6.835   2.737
   92    HA   ALA  14           HA       ALA  14   4.130  -6.767   4.217
   93   1HB   ALA  14          1HB       ALA  14   6.608  -5.059   4.455
   94   2HB   ALA  14          2HB       ALA  14   5.315  -5.137   5.653
   95   3HB   ALA  14          3HB       ALA  14   6.284  -6.570   5.306
   96    H    ALA  15           H        ALA  15   5.728  -4.342   2.188
   97    HA   ALA  15           HA       ALA  15   3.738  -2.336   2.550
   98   1HB   ALA  15          1HB       ALA  15   4.893  -1.094   0.904
   99   2HB   ALA  15          2HB       ALA  15   6.131  -1.974   1.799
  100   3HB   ALA  15          3HB       ALA  15   5.619  -2.543   0.211
  101    H    ASP  16           H        ASP  16   4.307  -4.881   0.205
  102    HA   ASP  16           HA       ASP  16   2.320  -4.277  -1.662
  103   1HB   ASP  16          1HB       ASP  16   4.104  -6.055  -1.852
  104   2HB   ASP  16          2HB       ASP  16   3.134  -7.052  -0.775
  105    H    ALA  17           H        ALA  17   2.175  -6.261   1.275
  106    HA   ALA  17           HA       ALA  17  -0.565  -6.907   1.104
  107   1HB   ALA  17          1HB       ALA  17   1.582  -7.190   3.055
  108   2HB   ALA  17          2HB       ALA  17  -0.009  -6.979   3.787
  109   3HB   ALA  17          3HB       ALA  17   0.269  -8.296   2.644
  110    H    LEU  18           H        LEU  18   1.151  -4.188   2.543
  111    HA   LEU  18           HA       LEU  18  -1.028  -3.098   3.962
  112   1HB   LEU  18          1HB       LEU  18   1.177  -2.371   4.498
  113   2HB   LEU  18          2HB       LEU  18   1.482  -1.867   2.847
  114    HG   LEU  18           HG       LEU  18  -0.669  -0.306   3.512
  115   1HD1  LEU  18          1HD1      LEU  18  -0.865   0.041   5.692
  116   2HD1  LEU  18          2HD1      LEU  18   0.234  -1.314   5.950
  117   3HD1  LEU  18          3HD1      LEU  18   0.868   0.330   5.854
  118   1HD2  LEU  18          1HD2      LEU  18   1.900   0.047   2.683
  119   2HD2  LEU  18          2HD2      LEU  18   0.754   1.349   3.016
  120   3HD2  LEU  18          3HD2      LEU  18   1.910   0.854   4.251
  121    H    ALA  19           H        ALA  19   0.238  -2.461   0.711
  122    HA   ALA  19           HA       ALA  19  -1.629  -0.467   0.013
  123   1HB   ALA  19          1HB       ALA  19   0.133  -0.468  -1.435
  124   2HB   ALA  19          2HB       ALA  19   0.247  -2.228  -1.470
  125   3HB   ALA  19          3HB       ALA  19  -1.019  -1.408  -2.384
  126    H    ALA  20           H        ALA  20  -1.676  -3.982  -0.271
  127    HA   ALA  20           HA       ALA  20  -4.116  -4.152  -1.709
  128   1HB   ALA  20          1HB       ALA  20  -2.807  -6.073  -1.803
  129   2HB   ALA  20          2HB       ALA  20  -2.536  -6.092  -0.063
  130   3HB   ALA  20          3HB       ALA  20  -4.115  -6.526  -0.713
  131    H    ALA  21           H        ALA  21  -3.321  -4.157   1.735
  132    HA   ALA  21           HA       ALA  21  -5.860  -4.728   2.750
  133   1HB   ALA  21          1HB       ALA  21  -3.770  -2.956   4.006
  134   2HB   ALA  21          2HB       ALA  21  -5.089  -3.786   4.834
  135   3HB   ALA  21          3HB       ALA  21  -3.790  -4.717   4.088
  136    H    LYS  22           H        LYS  22  -4.383  -1.657   1.832
  137    HA   LYS  22           HA       LYS  22  -6.525  -0.006   2.646
  138   1HB   LYS  22          1HB       LYS  22  -4.307   0.375   0.637
  139   2HB   LYS  22          2HB       LYS  22  -5.503   1.622   0.966
  140   1HG   LYS  22          1HG       LYS  22  -3.555   0.437   2.935
  141   2HG   LYS  22          2HG       LYS  22  -3.505   2.055   2.232
  142   1HD   LYS  22          1HD       LYS  22  -5.597   2.620   3.332
  143   2HD   LYS  22          2HD       LYS  22  -5.714   0.986   3.989
  144   1HE   LYS  22          2HE       LYS  22  -4.551   1.652   5.759
  145   2HE   LYS  22          1HE       LYS  22  -3.174   1.968   4.706
  146   1HZ   LYS  22          1HZ       LYS  22  -4.709   3.818   6.129
  147   2HZ   LYS  22          2HZ       LYS  22  -4.999   4.096   4.483
  148   3HZ   LYS  22          3HZ       LYS  22  -3.413   4.124   5.080
  149    H    LYS  23           H        LYS  23  -5.871  -1.850  -0.250
  150    HA   LYS  23           HA       LYS  23  -7.859  -0.712  -1.897
  151   1HB   LYS  23          1HB       LYS  23  -6.076  -2.076  -2.814
  152   2HB   LYS  23          2HB       LYS  23  -6.634  -3.474  -1.909
  153   1HG   LYS  23          1HG       LYS  23  -8.822  -2.556  -3.432
  154   2HG   LYS  23          2HG       LYS  23  -7.413  -2.583  -4.496
  155   1HD   LYS  23          1HD       LYS  23  -7.004  -4.885  -4.017
  156   2HD   LYS  23          2HD       LYS  23  -8.214  -4.896  -2.733
  157   1HE   LYS  23          2HE       LYS  23  -9.991  -4.757  -4.267
  158   2HE   LYS  23          1HE       LYS  23  -8.929  -4.260  -5.583
  159   1HZ   LYS  23          1HZ       LYS  23  -8.788  -6.928  -4.287
  160   2HZ   LYS  23          2HZ       LYS  23  -8.004  -6.429  -5.705
  161   3HZ   LYS  23          3HZ       LYS  23  -9.693  -6.614  -5.689
  162    H    THR  24           H        THR  24  -7.911  -3.451   0.367
  163    HA   THR  24           HA       THR  24 -10.556  -4.272  -0.112
  164    HB   THR  24           HB       THR  24  -9.995  -4.634   2.654
  165    HG1  THR  24           1HG      THR  24  -7.837  -4.224   2.351
  166   1HG2  THR  24          1HG2      THR  24  -9.304  -6.944   1.155
  167   2HG2  THR  24          2HG2      THR  24 -10.654  -6.154   0.339
  168   3HG2  THR  24          3HG2      THR  24 -10.795  -6.614   2.037
  169    H    ALA  25           H        ALA  25  -9.217  -1.813   2.032
  170    HA   ALA  25           HA       ALA  25 -11.642  -1.162   3.348
  171   1HB   ALA  25          1HB       ALA  25  -9.084   0.379   2.950
  172   2HB   ALA  25          2HB       ALA  25 -10.444   0.994   3.888
  173   3HB   ALA  25          3HB       ALA  25  -9.621  -0.480   4.393
  174    H    ALA  26           H        ALA  26 -10.002   0.135   0.500
  175    HA   ALA  26           HA       ALA  26 -11.814   2.198  -0.096
  176   1HB   ALA  26          1HB       ALA  26 -10.280   0.627  -2.154
  177   2HB   ALA  26          2HB       ALA  26 -10.758   2.324  -2.204
  178   3HB   ALA  26          3HB       ALA  26  -9.506   1.795  -1.081
  179    H    ASP  27           H        ASP  27 -11.659  -1.175  -1.161
  180    HA   ASP  27           HA       ASP  27 -13.820  -1.205  -2.918
  181   1HB   ASP  27          1HB       ASP  27 -12.214  -3.060  -2.671
  182   2HB   ASP  27          2HB       ASP  27 -12.876  -3.418  -1.082
  183    H    ALA  28           H        ALA  28 -13.757  -1.870   0.571
  184    HA   ALA  28           HA       ALA  28 -16.495  -2.418   0.880
  185   1HB   ALA  28          1HB       ALA  28 -14.300  -2.448   2.516
  186   2HB   ALA  28          2HB       ALA  28 -15.252  -1.118   3.176
  187   3HB   ALA  28          3HB       ALA  28 -15.964  -2.726   3.027
  188    H    ALA  29           H        ALA  29 -14.688   0.606   0.960
  189    HA   ALA  29           HA       ALA  29 -16.842   2.222   1.869
  190   1HB   ALA  29          1HB       ALA  29 -14.376   2.777   1.969
  191   2HB   ALA  29          2HB       ALA  29 -14.493   3.179   0.256
  192   3HB   ALA  29          3HB       ALA  29 -15.444   4.076   1.439
  193    H    ALA  30           H        ALA  30 -15.560   1.426  -1.330
  194    HA   ALA  30           HA       ALA  30 -17.251   3.135  -2.809
  195   1HB   ALA  30          1HB       ALA  30 -16.274   0.552  -3.947
  196   2HB   ALA  30          2HB       ALA  30 -16.388   2.143  -4.703
  197   3HB   ALA  30          3HB       ALA  30 -15.116   1.814  -3.524
  198    H    ALA  31           H        ALA  31 -17.562  -0.238  -1.797
  199    HA   ALA  31           HA       ALA  31 -19.984  -0.800  -3.119
  200   1HB   ALA  31          1HB       ALA  31 -18.764  -1.966  -0.621
  201   2HB   ALA  31          2HB       ALA  31 -20.223  -2.597  -1.383
  202   3HB   ALA  31          3HB       ALA  31 -18.694  -2.611  -2.259
  203    H    ALA  32           H        ALA  32 -19.269   0.630   0.020
  204    HA   ALA  32           HA       ALA  32 -22.075   0.760   0.749
  205   1HB   ALA  32          1HB       ALA  32 -19.818   0.517   2.231
  206   2HB   ALA  32          2HB       ALA  32 -20.141   2.243   2.391
  207   3HB   ALA  32          3HB       ALA  32 -21.369   1.068   2.862
  208    H    ALA  33           H        ALA  33 -20.725   2.331  -1.541
  209    HA   ALA  33           HA       ALA  33 -21.586   5.022  -0.734
  210   1HB   ALA  33          1HB       ALA  33 -20.647   4.780  -3.469
  211   2HB   ALA  33          2HB       ALA  33 -20.077   5.825  -2.166
  212   3HB   ALA  33          3HB       ALA  33 -19.468   4.175  -2.305
  213    H    ALA  34           H        ALA  34 -22.560   2.265  -2.513
  214    HA   ALA  34           HA       ALA  34 -24.979   3.674  -3.385
  215   1HB   ALA  34          1HB       ALA  34 -24.867   2.968  -5.583
  216   2HB   ALA  34          2HB       ALA  34 -23.169   3.291  -5.231
  217   3HB   ALA  34          3HB       ALA  34 -23.774   1.637  -5.207
  218    H    ALA  35           H        ALA  35 -24.908   2.239  -1.121
  219    HA   ALA  35           HA       ALA  35 -26.202  -0.319  -1.820
  220   1HB   ALA  35          1HB       ALA  35 -24.725   0.322   0.737
  221   2HB   ALA  35          2HB       ALA  35 -25.427  -1.229   0.277
  222   3HB   ALA  35          3HB       ALA  35 -24.046  -0.587  -0.613
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1  26.495   2.661   1.053
    2   2H    GLY   1          2H        GLY   1  26.705   0.995   0.851
    3   3H    GLY   1          3H        GLY   1  27.553   1.812   2.073
    4   1HA   GLY   1          2HA       GLY   1  25.835   0.732   3.193
    5   2HA   GLY   1          1HA       GLY   1  25.330   2.409   3.050
    6    H    SER   2           H        SER   2  24.405  -0.744   2.626
    7    HA   SER   2           HA       SER   2  21.972   0.129   1.290
    8   1HB   SER   2          1HB       SER   2  22.168  -2.157  -0.034
    9   2HB   SER   2          2HB       SER   2  22.930  -0.694  -0.657
   10    HG   SER   2           HG       SER   2  24.196  -2.783  -0.469
   11    H    MET   3           H        MET   3  20.195  -1.341   1.660
   12    HA   MET   3           HA       MET   3  20.346  -2.526   4.259
   13   1HB   MET   3          1HB       MET   3  18.307  -1.502   2.621
   14   2HB   MET   3          2HB       MET   3  17.941  -3.214   2.812
   15   1HG   MET   3          1HG       MET   3  18.322  -1.178   4.997
   16   2HG   MET   3          2HG       MET   3  16.818  -1.978   4.526
   17   1HE   MET   3          1HE       MET   3  17.495  -1.751   7.323
   18   2HE   MET   3          2HE       MET   3  18.106  -3.183   8.158
   19   3HE   MET   3          3HE       MET   3  19.231  -2.030   7.441
   20    H    ASN   4           H        ASN   4  19.760  -4.721   4.727
   21    HA   ASN   4           HA       ASN   4  21.101  -6.559   2.959
   22   1HB   ASN   4          1HB       ASN   4  19.710  -6.993   5.611
   23   2HB   ASN   4          2HB       ASN   4  20.591  -8.241   4.734
   24   1HD2  ASN   4          1HD2      ASN   4  20.895  -6.604   7.335
   25   2HD2  ASN   4          2HD2      ASN   4  22.575  -6.161   7.329
   26    H    ALA   5           H        ALA   5  20.174  -8.432   2.050
   27    HA   ALA   5           HA       ALA   5  17.794  -7.939   0.676
   28   1HB   ALA   5          1HB       ALA   5  18.245  -9.810  -0.496
   29   2HB   ALA   5          2HB       ALA   5  19.808  -9.662   0.309
   30   3HB   ALA   5          3HB       ALA   5  18.590 -10.766   0.946
   31    HA   PRO   6           HA       PRO   6  15.619 -11.174   3.695
   32   1HB   PRO   6          1HB       PRO   6  16.725 -10.992   6.241
   33   2HB   PRO   6          2HB       PRO   6  16.962 -12.333   5.117
   34   1HG   PRO   6          1HG       PRO   6  18.728  -9.992   5.679
   35   2HG   PRO   6          2HG       PRO   6  19.165 -11.682   5.361
   36   1HD   PRO   6          1HD       PRO   6  19.437  -9.812   3.477
   37   2HD   PRO   6          2HD       PRO   6  18.887 -11.450   3.067
   38    H    ALA   7           H        ALA   7  17.212  -8.361   5.176
   39    HA   ALA   7           HA       ALA   7  14.988  -7.598   6.748
   40   1HB   ALA   7          1HB       ALA   7  16.372  -5.307   6.576
   41   2HB   ALA   7          2HB       ALA   7  16.827  -6.641   7.633
   42   3HB   ALA   7          3HB       ALA   7  17.616  -6.448   6.068
   43    H    ARG   8           H        ARG   8  16.010  -6.812   3.489
   44    HA   ARG   8           HA       ARG   8  14.130  -4.702   3.111
   45   1HB   ARG   8          1HB       ARG   8  15.972  -6.261   1.396
   46   2HB   ARG   8          2HB       ARG   8  14.571  -5.567   0.589
   47   1HG   ARG   8          1HG       ARG   8  16.153  -3.806   2.379
   48   2HG   ARG   8          2HG       ARG   8  16.851  -4.253   0.821
   49   1HD   ARG   8          1HD       ARG   8  15.666  -2.199   0.530
   50   2HD   ARG   8          2HD       ARG   8  14.741  -3.471  -0.263
   51    HE   ARG   8           HE       ARG   8  13.979  -2.787   2.472
   52   1HH1  ARG   8          2HH1      ARG   8  13.375  -2.368  -0.958
   53   2HH1  ARG   8          1HH1      ARG   8  11.715  -1.923  -0.737
   54   1HH2  ARG   8          2HH2      ARG   8  11.779  -2.196   2.747
   55   2HH2  ARG   8          1HH2      ARG   8  10.800  -1.837   1.354
   56    H    ALA   9           H        ALA   9  14.095  -8.176   2.592
   57    HA   ALA   9           HA       ALA   9  11.590  -8.276   1.254
   58   1HB   ALA   9          1HB       ALA   9  13.571 -10.066   1.626
   59   2HB   ALA   9          2HB       ALA   9  12.406 -10.630   2.825
   60   3HB   ALA   9          3HB       ALA   9  11.934 -10.501   1.130
   61    H    ALA  10           H        ALA  10  12.581  -8.390   4.624
   62    HA   ALA  10           HA       ALA  10  10.019  -9.115   5.654
   63   1HB   ALA  10          1HB       ALA  10  11.156  -8.061   7.799
   64   2HB   ALA  10          2HB       ALA  10  11.633  -9.640   7.174
   65   3HB   ALA  10          3HB       ALA  10  12.602  -8.212   6.802
   66    H    ALA  11           H        ALA  11  11.431  -6.175   4.589
   67    HA   ALA  11           HA       ALA  11   9.475  -4.524   5.985
   68   1HB   ALA  11          1HB       ALA  11  12.065  -4.046   5.197
   69   2HB   ALA  11          2HB       ALA  11  11.119  -3.181   3.985
   70   3HB   ALA  11          3HB       ALA  11  10.897  -2.825   5.698
   71    H    LYS  12           H        LYS  12  10.070  -5.917   2.867
   72    HA   LYS  12           HA       LYS  12   8.476  -4.303   1.240
   73   1HB   LYS  12          1HB       LYS  12  10.014  -6.077   0.430
   74   2HB   LYS  12          2HB       LYS  12   8.885  -7.292   1.009
   75   1HG   LYS  12          1HG       LYS  12   7.511  -5.438  -0.686
   76   2HG   LYS  12          2HG       LYS  12   8.951  -6.041  -1.508
   77   1HD   LYS  12          1HD       LYS  12   7.983  -8.340  -0.464
   78   2HD   LYS  12          2HD       LYS  12   6.482  -7.451  -0.721
   79   1HE   LYS  12          2HE       LYS  12   7.992  -7.048  -3.037
   80   2HE   LYS  12          1HE       LYS  12   8.197  -8.752  -2.637
   81   1HZ   LYS  12          1HZ       LYS  12   6.204  -9.119  -3.508
   82   2HZ   LYS  12          2HZ       LYS  12   5.957  -7.465  -3.779
   83   3HZ   LYS  12          3HZ       LYS  12   5.498  -8.160  -2.304
   84    H    THR  13           H        THR  13   7.643  -6.871   3.454
   85    HA   THR  13           HA       THR  13   5.102  -7.541   2.599
   86    HB   THR  13           HB       THR  13   5.343  -7.452   5.501
   87    HG1  THR  13           1HG      THR  13   7.186  -8.737   5.630
   88   1HG2  THR  13          1HG2      THR  13   4.105  -9.016   3.627
   89   2HG2  THR  13          2HG2      THR  13   4.332  -9.455   5.319
   90   3HG2  THR  13          3HG2      THR  13   5.473 -10.023   4.100
   91    H    ALA  14           H        ALA  14   6.148  -4.667   4.283
   92    HA   ALA  14           HA       ALA  14   3.663  -3.867   5.353
   93   1HB   ALA  14          1HB       ALA  14   6.056  -2.243   4.504
   94   2HB   ALA  14          2HB       ALA  14   4.673  -1.586   5.377
   95   3HB   ALA  14          3HB       ALA  14   5.681  -2.824   6.125
   96    H    ALA  15           H        ALA  15   5.312  -2.833   2.365
   97    HA   ALA  15           HA       ALA  15   2.969  -1.460   1.418
   98   1HB   ALA  15          1HB       ALA  15   4.542  -1.553  -0.758
   99   2HB   ALA  15          2HB       ALA  15   4.745  -0.374   0.538
  100   3HB   ALA  15          3HB       ALA  15   5.751  -1.823   0.498
  101    H    ASP  16           H        ASP  16   4.446  -4.571   1.000
  102    HA   ASP  16           HA       ASP  16   3.147  -5.436  -1.331
  103   1HB   ASP  16          1HB       ASP  16   5.051  -6.632  -0.403
  104   2HB   ASP  16          2HB       ASP  16   4.137  -7.010   1.054
  105    H    ALA  17           H        ALA  17   2.234  -5.769   2.088
  106    HA   ALA  17           HA       ALA  17  -0.192  -7.151   1.560
  107   1HB   ALA  17          1HB       ALA  17   0.181  -5.475   4.007
  108   2HB   ALA  17          2HB       ALA  17  -0.604  -7.044   3.830
  109   3HB   ALA  17          3HB       ALA  17   1.155  -6.928   3.777
  110    H    LEU  18           H        LEU  18   0.706  -3.777   1.797
  111    HA   LEU  18           HA       LEU  18  -1.896  -2.702   1.974
  112   1HB   LEU  18          1HB       LEU  18   0.796  -1.654   1.277
  113   2HB   LEU  18          2HB       LEU  18  -0.593  -0.690   0.818
  114    HG   LEU  18           HG       LEU  18   0.389  -1.380   3.564
  115   1HD1  LEU  18          1HD1      LEU  18  -0.194   1.082   1.987
  116   2HD1  LEU  18          2HD1      LEU  18  -0.304   1.137   3.746
  117   3HD1  LEU  18          3HD1      LEU  18   1.214   0.681   2.970
  118   1HD2  LEU  18          1HD2      LEU  18  -1.770  -1.901   4.053
  119   2HD2  LEU  18          2HD2      LEU  18  -1.885  -0.147   4.178
  120   3HD2  LEU  18          3HD2      LEU  18  -2.420  -0.964   2.710
  121    H    ALA  19           H        ALA  19  -0.007  -3.873  -0.709
  122    HA   ALA  19           HA       ALA  19  -1.394  -2.663  -2.828
  123   1HB   ALA  19          1HB       ALA  19  -0.316  -5.452  -3.002
  124   2HB   ALA  19          2HB       ALA  19  -0.340  -4.189  -4.233
  125   3HB   ALA  19          3HB       ALA  19   0.766  -4.067  -2.865
  126    H    ALA  20           H        ALA  20  -1.916  -5.808  -1.238
  127    HA   ALA  20           HA       ALA  20  -4.342  -6.332  -2.672
  128   1HB   ALA  20          1HB       ALA  20  -3.472  -7.641  -0.106
  129   2HB   ALA  20          2HB       ALA  20  -4.524  -8.297  -1.362
  130   3HB   ALA  20          3HB       ALA  20  -2.801  -8.076  -1.679
  131    H    ALA  21           H        ALA  21  -3.461  -4.915   0.394
  132    HA   ALA  21           HA       ALA  21  -5.980  -4.843   1.620
  133   1HB   ALA  21          1HB       ALA  21  -4.640  -4.132   3.247
  134   2HB   ALA  21          2HB       ALA  21  -3.368  -3.716   2.096
  135   3HB   ALA  21          3HB       ALA  21  -4.638  -2.548   2.469
  136    H    LYS  22           H        LYS  22  -4.596  -2.900  -0.903
  137    HA   LYS  22           HA       LYS  22  -6.067  -0.569  -0.776
  138   1HB   LYS  22          1HB       LYS  22  -4.794  -2.121  -2.960
  139   2HB   LYS  22          2HB       LYS  22  -5.956  -0.890  -3.438
  140   1HG   LYS  22          1HG       LYS  22  -3.681  -0.295  -1.574
  141   2HG   LYS  22          2HG       LYS  22  -3.512  -0.208  -3.330
  142   1HD   LYS  22          1HD       LYS  22  -4.281   1.878  -3.200
  143   2HD   LYS  22          2HD       LYS  22  -5.853   1.191  -2.779
  144   1HE   LYS  22          2HE       LYS  22  -5.671   2.336  -0.869
  145   2HE   LYS  22          1HE       LYS  22  -4.484   1.122  -0.395
  146   1HZ   LYS  22          1HZ       LYS  22  -3.413   3.139  -0.060
  147   2HZ   LYS  22          2HZ       LYS  22  -4.017   3.828  -1.491
  148   3HZ   LYS  22          3HZ       LYS  22  -2.814   2.628  -1.563
  149    H    LYS  23           H        LYS  23  -7.048  -3.718  -2.020
  150    HA   LYS  23           HA       LYS  23  -9.522  -2.866  -3.116
  151   1HB   LYS  23          1HB       LYS  23  -8.549  -5.566  -2.182
  152   2HB   LYS  23          2HB       LYS  23 -10.111  -5.322  -2.947
  153   1HG   LYS  23          1HG       LYS  23  -8.718  -4.236  -4.851
  154   2HG   LYS  23          2HG       LYS  23  -7.376  -5.121  -4.124
  155   1HD   LYS  23          1HD       LYS  23  -8.071  -7.042  -5.012
  156   2HD   LYS  23          2HD       LYS  23  -9.706  -6.802  -4.391
  157   1HE   LYS  23          2HE       LYS  23  -9.776  -5.046  -6.386
  158   2HE   LYS  23          1HE       LYS  23  -8.560  -6.140  -7.046
  159   1HZ   LYS  23          1HZ       LYS  23 -10.389  -7.194  -7.804
  160   2HZ   LYS  23          2HZ       LYS  23 -11.405  -6.578  -6.594
  161   3HZ   LYS  23          3HZ       LYS  23 -10.385  -7.891  -6.258
  162    H    THR  24           H        THR  24  -8.638  -4.336  -0.016
  163    HA   THR  24           HA       THR  24 -11.226  -4.339   1.107
  164    HB   THR  24           HB       THR  24  -8.864  -4.055   2.888
  165    HG1  THR  24           1HG      THR  24  -7.890  -5.871   2.202
  166   1HG2  THR  24          1HG2      THR  24 -11.413  -4.842   3.286
  167   2HG2  THR  24          2HG2      THR  24 -10.061  -5.379   4.284
  168   3HG2  THR  24          3HG2      THR  24 -10.654  -6.405   2.974
  169    H    ALA  25           H        ALA  25  -8.621  -1.966   1.085
  170    HA   ALA  25           HA       ALA  25  -9.761  -0.142   2.919
  171   1HB   ALA  25          1HB       ALA  25  -7.517   0.253   2.497
  172   2HB   ALA  25          2HB       ALA  25  -7.707   0.067   0.752
  173   3HB   ALA  25          3HB       ALA  25  -8.298   1.523   1.555
  174    H    ALA  26           H        ALA  26 -10.041  -0.525  -0.585
  175    HA   ALA  26           HA       ALA  26 -11.677   1.744  -1.023
  176   1HB   ALA  26          1HB       ALA  26 -10.708  -0.512  -2.568
  177   2HB   ALA  26          2HB       ALA  26 -12.360  -0.067  -2.997
  178   3HB   ALA  26          3HB       ALA  26 -11.072   1.137  -3.080
  179    H    ASP  27           H        ASP  27 -12.341  -1.582  -0.134
  180    HA   ASP  27           HA       ASP  27 -15.142  -1.541  -0.496
  181   1HB   ASP  27          1HB       ASP  27 -13.689  -3.582  -0.146
  182   2HB   ASP  27          2HB       ASP  27 -13.632  -3.159   1.560
  183    H    ALA  28           H        ALA  28 -13.137  -1.027   2.384
  184    HA   ALA  28           HA       ALA  28 -15.254  -0.426   4.145
  185   1HB   ALA  28          1HB       ALA  28 -12.640  -0.909   4.491
  186   2HB   ALA  28          2HB       ALA  28 -12.632   0.849   4.640
  187   3HB   ALA  28          3HB       ALA  28 -13.644  -0.122   5.710
  188    H    ALA  29           H        ALA  29 -13.360   1.563   1.953
  189    HA   ALA  29           HA       ALA  29 -14.335   4.067   2.923
  190   1HB   ALA  29          1HB       ALA  29 -12.997   5.026   1.346
  191   2HB   ALA  29          2HB       ALA  29 -12.237   3.436   1.428
  192   3HB   ALA  29          3HB       ALA  29 -13.372   3.806   0.128
  193    H    ALA  30           H        ALA  30 -15.398   1.753   0.528
  194    HA   ALA  30           HA       ALA  30 -17.291   3.476  -0.735
  195   1HB   ALA  30          1HB       ALA  30 -16.209   1.028  -1.339
  196   2HB   ALA  30          2HB       ALA  30 -17.871   0.619  -0.910
  197   3HB   ALA  30          3HB       ALA  30 -17.552   1.795  -2.187
  198    H    ALA  31           H        ALA  31 -17.572   0.862   1.662
  199    HA   ALA  31           HA       ALA  31 -20.377   1.158   1.995
  200   1HB   ALA  31          1HB       ALA  31 -19.238   0.035   4.342
  201   2HB   ALA  31          2HB       ALA  31 -20.093  -0.783   3.034
  202   3HB   ALA  31          3HB       ALA  31 -18.343  -0.579   2.951
  203    H    ALA  32           H        ALA  32 -17.707   1.984   4.212
  204    HA   ALA  32           HA       ALA  32 -19.518   3.819   5.607
  205   1HB   ALA  32          1HB       ALA  32 -17.193   3.752   7.070
  206   2HB   ALA  32          2HB       ALA  32 -18.625   2.768   7.369
  207   3HB   ALA  32          3HB       ALA  32 -17.290   2.118   6.415
  208    H    ALA  33           H        ALA  33 -19.181   5.156   3.554
  209    HA   ALA  33           HA       ALA  33 -16.707   6.467   3.125
  210   1HB   ALA  33          1HB       ALA  33 -18.248   8.161   1.911
  211   2HB   ALA  33          2HB       ALA  33 -18.110   6.518   1.283
  212   3HB   ALA  33          3HB       ALA  33 -19.520   6.982   2.237
  213    H    ALA  34           H        ALA  34 -19.740   7.905   4.337
  214    HA   ALA  34           HA       ALA  34 -18.132   9.908   5.748
  215   1HB   ALA  34          1HB       ALA  34 -19.855  10.715   4.180
  216   2HB   ALA  34          2HB       ALA  34 -21.091   9.944   5.174
  217   3HB   ALA  34          3HB       ALA  34 -20.126  11.262   5.834
  218    H    ALA  35           H        ALA  35 -18.054   7.481   6.942
  219    HA   ALA  35           HA       ALA  35 -19.669   7.897   9.360
  220   1HB   ALA  35          1HB       ALA  35 -20.580   6.015   8.011
  221   2HB   ALA  35          2HB       ALA  35 -19.028   5.195   8.180
  222   3HB   ALA  35          3HB       ALA  35 -20.009   5.529   9.607
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1  27.400  -8.128 -12.654
    2   2H    GLY   1          2H        GLY   1  26.448  -7.417 -11.444
    3   3H    GLY   1          3H        GLY   1  25.873  -7.498 -13.038
    4   1HA   GLY   1          2HA       GLY   1  25.975  -9.973 -12.860
    5   2HA   GLY   1          1HA       GLY   1  26.281  -9.740 -11.145
    6    H    SER   2           H        SER   2  24.265 -11.087 -11.091
    7    HA   SER   2           HA       SER   2  21.803  -9.726 -11.740
    8   1HB   SER   2          1HB       SER   2  21.654 -12.105 -10.012
    9   2HB   SER   2          2HB       SER   2  20.841 -11.763 -11.540
   10    HG   SER   2           HG       SER   2  22.716 -12.358 -12.641
   11    H    MET   3           H        MET   3  20.130  -9.313 -10.198
   12    HA   MET   3           HA       MET   3  21.145  -8.399  -7.600
   13   1HB   MET   3          1HB       MET   3  19.361  -7.298  -9.487
   14   2HB   MET   3          2HB       MET   3  18.372  -7.767  -8.114
   15   1HG   MET   3          1HG       MET   3  19.894  -6.471  -6.647
   16   2HG   MET   3          2HG       MET   3  20.744  -5.920  -8.088
   17   1HE   MET   3          1HE       MET   3  19.565  -4.791 -10.063
   18   2HE   MET   3          2HE       MET   3  17.970  -5.548 -10.101
   19   3HE   MET   3          3HE       MET   3  18.111  -3.799  -9.941
   20    H    ASN   4           H        ASN   4  20.292  -9.171  -5.673
   21    HA   ASN   4           HA       ASN   4  19.130 -11.789  -5.816
   22   1HB   ASN   4          1HB       ASN   4  20.717 -10.553  -3.966
   23   2HB   ASN   4          2HB       ASN   4  19.126 -10.504  -3.213
   24   1HD2  ASN   4          1HD2      ASN   4  21.164 -12.795  -5.007
   25   2HD2  ASN   4          2HD2      ASN   4  20.806 -14.155  -3.991
   26    H    ALA   5           H        ALA   5  17.183 -11.446  -6.745
   27    HA   ALA   5           HA       ALA   5  15.151  -9.766  -5.727
   28   1HB   ALA   5          1HB       ALA   5  15.175 -12.047  -7.654
   29   2HB   ALA   5          2HB       ALA   5  13.650 -11.353  -7.104
   30   3HB   ALA   5          3HB       ALA   5  14.829 -10.343  -7.941
   31    HA   PRO   6           HA       PRO   6  13.551 -14.090  -3.751
   32   1HB   PRO   6          1HB       PRO   6  15.844 -15.165  -2.496
   33   2HB   PRO   6          2HB       PRO   6  14.940 -15.867  -3.836
   34   1HG   PRO   6          1HG       PRO   6  17.432 -14.250  -3.876
   35   2HG   PRO   6          2HG       PRO   6  16.928 -15.577  -4.941
   36   1HD   PRO   6          1HD       PRO   6  16.850 -13.044  -5.777
   37   2HD   PRO   6          2HD       PRO   6  15.567 -14.190  -6.223
   38    H    ALA   7           H        ALA   7  16.419 -12.418  -2.451
   39    HA   ALA   7           HA       ALA   7  15.470 -12.424   0.233
   40   1HB   ALA   7          1HB       ALA   7  17.733 -12.224   0.231
   41   2HB   ALA   7          2HB       ALA   7  17.755 -11.222  -1.220
   42   3HB   ALA   7          3HB       ALA   7  17.308 -10.514   0.333
   43    H    ARG   8           H        ARG   8  15.356 -10.111  -2.416
   44    HA   ARG   8           HA       ARG   8  14.395  -7.947  -0.812
   45   1HB   ARG   8          1HB       ARG   8  15.221  -8.361  -3.544
   46   2HB   ARG   8          2HB       ARG   8  13.721  -7.443  -3.489
   47   1HG   ARG   8          1HG       ARG   8  15.622  -5.955  -3.505
   48   2HG   ARG   8          2HG       ARG   8  14.770  -5.838  -1.963
   49   1HD   ARG   8          1HD       ARG   8  16.436  -7.048  -0.830
   50   2HD   ARG   8          2HD       ARG   8  17.139  -7.649  -2.335
   51    HE   ARG   8           HE       ARG   8  17.911  -5.364  -2.758
   52   1HH1  ARG   8          2HH1      ARG   8  17.004  -6.219   0.523
   53   2HH1  ARG   8          1HH1      ARG   8  17.948  -4.957   1.243
   54   1HH2  ARG   8          2HH2      ARG   8  19.188  -3.725  -1.798
   55   2HH2  ARG   8          1HH2      ARG   8  19.172  -3.526  -0.065
   56    H    ALA   9           H        ALA   9  12.940 -10.532  -2.605
   57    HA   ALA   9           HA       ALA   9  10.350  -9.570  -2.938
   58   1HB   ALA   9          1HB       ALA   9   9.988 -11.603  -3.767
   59   2HB   ALA   9          2HB       ALA   9  11.672 -11.961  -3.383
   60   3HB   ALA   9          3HB       ALA   9  10.398 -12.382  -2.238
   61    H    ALA  10           H        ALA  10  11.925 -10.939  -0.123
   62    HA   ALA  10           HA       ALA  10   9.600 -11.326   1.444
   63   1HB   ALA  10          1HB       ALA  10  11.253 -12.487   2.436
   64   2HB   ALA  10          2HB       ALA  10  12.506 -11.384   1.865
   65   3HB   ALA  10          3HB       ALA  10  11.552 -10.972   3.289
   66    H    ALA  11           H        ALA  11  11.583  -8.561   0.749
   67    HA   ALA  11           HA       ALA  11  10.609  -6.986   2.962
   68   1HB   ALA  11          1HB       ALA  11  12.446  -5.818   2.527
   69   2HB   ALA  11          2HB       ALA  11  12.740  -6.795   1.089
   70   3HB   ALA  11          3HB       ALA  11  11.770  -5.329   0.973
   71    H    LYS  12           H        LYS  12   9.841  -7.464  -0.409
   72    HA   LYS  12           HA       LYS  12   8.305  -5.139  -0.809
   73   1HB   LYS  12          1HB       LYS  12   7.976  -5.935  -2.894
   74   2HB   LYS  12          2HB       LYS  12   9.200  -7.103  -2.430
   75   1HG   LYS  12          1HG       LYS  12   7.496  -8.730  -1.890
   76   2HG   LYS  12          2HG       LYS  12   6.229  -7.549  -2.227
   77   1HD   LYS  12          1HD       LYS  12   6.224  -8.250  -4.338
   78   2HD   LYS  12          2HD       LYS  12   7.858  -7.606  -4.509
   79   1HE   LYS  12          2HE       LYS  12   8.306  -9.755  -5.065
   80   2HE   LYS  12          1HE       LYS  12   8.458  -9.908  -3.317
   81   1HZ   LYS  12          1HZ       LYS  12   5.787 -10.289  -3.846
   82   2HZ   LYS  12          2HZ       LYS  12   6.926 -11.484  -3.446
   83   3HZ   LYS  12          3HZ       LYS  12   6.593 -11.139  -5.075
   84    H    THR  13           H        THR  13   7.554  -8.224   0.641
   85    HA   THR  13           HA       THR  13   4.778  -8.209   0.520
   86    HB   THR  13           HB       THR  13   5.743  -9.215   3.065
   87    HG1  THR  13           1HG      THR  13   7.690  -9.723   2.317
   88   1HG2  THR  13          1HG2      THR  13   3.888 -10.341   2.402
   89   2HG2  THR  13          2HG2      THR  13   5.074 -11.388   1.622
   90   3HG2  THR  13          3HG2      THR  13   4.246 -10.141   0.688
   91    H    ALA  14           H        ALA  14   6.953  -6.446   2.623
   92    HA   ALA  14           HA       ALA  14   5.203  -5.729   4.675
   93   1HB   ALA  14          1HB       ALA  14   7.835  -5.132   3.939
   94   2HB   ALA  14          2HB       ALA  14   7.010  -3.576   4.052
   95   3HB   ALA  14          3HB       ALA  14   7.011  -4.676   5.430
   96    H    ALA  15           H        ALA  15   5.983  -4.016   1.660
   97    HA   ALA  15           HA       ALA  15   3.973  -2.004   2.127
   98   1HB   ALA  15          1HB       ALA  15   5.557  -1.009   0.871
   99   2HB   ALA  15          2HB       ALA  15   6.058  -2.521   0.113
  100   3HB   ALA  15          3HB       ALA  15   4.626  -1.676  -0.470
  101    H    ASP  16           H        ASP  16   4.321  -4.912   0.214
  102    HA   ASP  16           HA       ASP  16   2.176  -4.663  -1.539
  103   1HB   ASP  16          1HB       ASP  16   3.963  -6.392  -1.660
  104   2HB   ASP  16          2HB       ASP  16   3.229  -7.210  -0.287
  105    H    ALA  17           H        ALA  17   2.249  -6.276   1.640
  106    HA   ALA  17           HA       ALA  17  -0.476  -7.048   1.591
  107   1HB   ALA  17          1HB       ALA  17  -0.094  -7.997   3.621
  108   2HB   ALA  17          2HB       ALA  17   1.573  -7.822   3.075
  109   3HB   ALA  17          3HB       ALA  17   0.884  -6.646   4.195
  110    H    LEU  18           H        LEU  18   1.158  -4.168   2.707
  111    HA   LEU  18           HA       LEU  18  -1.020  -3.120   4.209
  112   1HB   LEU  18          1HB       LEU  18   0.987  -2.182   4.835
  113   2HB   LEU  18          2HB       LEU  18   1.580  -2.081   3.189
  114    HG   LEU  18           HG       LEU  18  -0.639  -0.333   3.368
  115   1HD1  LEU  18          1HD1      LEU  18   1.365   0.302   5.510
  116   2HD1  LEU  18          2HD1      LEU  18  -0.175   1.093   5.168
  117   3HD1  LEU  18          3HD1      LEU  18  -0.151  -0.533   5.855
  118   1HD2  LEU  18          1HD2      LEU  18   1.513   1.289   3.316
  119   2HD2  LEU  18          2HD2      LEU  18   2.247  -0.234   2.813
  120   3HD2  LEU  18          3HD2      LEU  18   0.887   0.432   1.907
  121    H    ALA  19           H        ALA  19   0.211  -2.522   0.935
  122    HA   ALA  19           HA       ALA  19  -1.714  -0.554   0.266
  123   1HB   ALA  19          1HB       ALA  19   0.158  -0.455  -1.066
  124   2HB   ALA  19          2HB       ALA  19   0.242  -2.206  -1.259
  125   3HB   ALA  19          3HB       ALA  19  -0.981  -1.281  -2.132
  126    H    ALA  20           H        ALA  20  -1.632  -4.048  -0.001
  127    HA   ALA  20           HA       ALA  20  -3.851  -4.350  -1.725
  128   1HB   ALA  20          1HB       ALA  20  -3.167  -6.459  -1.652
  129   2HB   ALA  20          2HB       ALA  20  -2.042  -6.050  -0.357
  130   3HB   ALA  20          3HB       ALA  20  -3.680  -6.576   0.032
  131    H    ALA  21           H        ALA  21  -3.554  -4.464   1.811
  132    HA   ALA  21           HA       ALA  21  -6.238  -5.094   2.342
  133   1HB   ALA  21          1HB       ALA  21  -5.482  -5.256   4.420
  134   2HB   ALA  21          2HB       ALA  21  -3.911  -4.710   3.832
  135   3HB   ALA  21          3HB       ALA  21  -5.072  -3.540   4.463
  136    H    LYS  22           H        LYS  22  -4.563  -1.954   2.234
  137    HA   LYS  22           HA       LYS  22  -6.809  -0.440   3.050
  138   1HB   LYS  22          1HB       LYS  22  -5.564   1.519   2.358
  139   2HB   LYS  22          2HB       LYS  22  -4.495   0.404   3.196
  140   1HG   LYS  22          1HG       LYS  22  -3.243   0.009   1.363
  141   2HG   LYS  22          2HG       LYS  22  -4.609   0.167   0.258
  142   1HD   LYS  22          1HD       LYS  22  -3.304   2.034  -0.217
  143   2HD   LYS  22          2HD       LYS  22  -4.539   2.666   0.872
  144   1HE   LYS  22          2HE       LYS  22  -2.624   1.895   2.637
  145   2HE   LYS  22          1HE       LYS  22  -1.637   2.376   1.258
  146   1HZ   LYS  22          1HZ       LYS  22  -3.646   4.040   2.679
  147   2HZ   LYS  22          2HZ       LYS  22  -2.862   4.510   1.249
  148   3HZ   LYS  22          3HZ       LYS  22  -1.964   4.251   2.670
  149    H    LYS  23           H        LYS  23  -5.881  -1.793   0.012
  150    HA   LYS  23           HA       LYS  23  -7.522  -0.174  -1.652
  151   1HB   LYS  23          1HB       LYS  23  -5.628  -1.829  -2.308
  152   2HB   LYS  23          2HB       LYS  23  -6.886  -3.055  -2.233
  153   1HG   LYS  23          1HG       LYS  23  -7.521  -0.658  -3.815
  154   2HG   LYS  23          2HG       LYS  23  -6.249  -1.697  -4.459
  155   1HD   LYS  23          1HD       LYS  23  -8.915  -2.779  -3.574
  156   2HD   LYS  23          2HD       LYS  23  -8.643  -2.177  -5.211
  157   1HE   LYS  23          2HE       LYS  23  -6.507  -3.835  -4.857
  158   2HE   LYS  23          1HE       LYS  23  -7.763  -4.665  -3.942
  159   1HZ   LYS  23          1HZ       LYS  23  -8.066  -5.523  -6.023
  160   2HZ   LYS  23          2HZ       LYS  23  -7.634  -4.092  -6.819
  161   3HZ   LYS  23          3HZ       LYS  23  -9.154  -4.219  -6.076
  162    H    THR  24           H        THR  24  -7.954  -3.367  -0.188
  163    HA   THR  24           HA       THR  24 -10.584  -3.829  -1.005
  164    HB   THR  24           HB       THR  24  -9.818  -4.856   1.659
  165    HG1  THR  24           1HG      THR  24  -8.134  -6.108   0.862
  166   1HG2  THR  24          1HG2      THR  24 -10.627  -6.919   0.784
  167   2HG2  THR  24          2HG2      THR  24 -10.537  -6.328  -0.874
  168   3HG2  THR  24          3HG2      THR  24 -11.737  -5.664   0.237
  169    H    ALA  25           H        ALA  25  -9.303  -2.101   1.795
  170    HA   ALA  25           HA       ALA  25 -11.700  -1.735   3.195
  171   1HB   ALA  25          1HB       ALA  25  -9.021  -0.638   3.251
  172   2HB   ALA  25          2HB       ALA  25 -10.239   0.581   3.630
  173   3HB   ALA  25          3HB       ALA  25 -10.157  -0.908   4.573
  174    H    ALA  26           H        ALA  26 -10.128   0.373   0.789
  175    HA   ALA  26           HA       ALA  26 -12.182   2.315   0.739
  176   1HB   ALA  26          1HB       ALA  26 -10.966   3.361  -0.899
  177   2HB   ALA  26          2HB       ALA  26  -9.712   2.368  -0.157
  178   3HB   ALA  26          3HB       ALA  26 -10.478   1.847  -1.657
  179    H    ASP  27           H        ASP  27 -11.533  -0.556  -1.195
  180    HA   ASP  27           HA       ASP  27 -13.508  -0.272  -3.143
  181   1HB   ASP  27          1HB       ASP  27 -11.695  -2.010  -3.103
  182   2HB   ASP  27          2HB       ASP  27 -12.620  -2.876  -1.882
  183    H    ALA  28           H        ALA  28 -13.679  -1.794   0.050
  184    HA   ALA  28           HA       ALA  28 -16.424  -2.515  -0.140
  185   1HB   ALA  28          1HB       ALA  28 -16.265  -3.119   2.152
  186   2HB   ALA  28          2HB       ALA  28 -14.711  -3.517   1.419
  187   3HB   ALA  28          3HB       ALA  28 -14.874  -2.063   2.403
  188    H    ALA  29           H        ALA  29 -14.704   0.295   1.131
  189    HA   ALA  29           HA       ALA  29 -16.881   1.546   2.394
  190   1HB   ALA  29          1HB       ALA  29 -15.210   3.583   1.430
  191   2HB   ALA  29          2HB       ALA  29 -15.207   2.852   3.036
  192   3HB   ALA  29          3HB       ALA  29 -14.160   2.206   1.771
  193    H    ALA  30           H        ALA  30 -15.667   1.775  -0.927
  194    HA   ALA  30           HA       ALA  30 -17.466   3.780  -1.783
  195   1HB   ALA  30          1HB       ALA  30 -16.819   3.135  -4.037
  196   2HB   ALA  30          2HB       ALA  30 -15.406   3.215  -2.986
  197   3HB   ALA  30          3HB       ALA  30 -16.095   1.651  -3.420
  198    H    ALA  31           H        ALA  31 -17.629   0.260  -1.734
  199    HA   ALA  31           HA       ALA  31 -20.054   0.071  -3.221
  200   1HB   ALA  31          1HB       ALA  31 -19.232  -1.995  -3.341
  201   2HB   ALA  31          2HB       ALA  31 -18.204  -1.752  -1.927
  202   3HB   ALA  31          3HB       ALA  31 -19.886  -2.246  -1.721
  203    H    ALA  32           H        ALA  32 -19.292  -0.054   0.242
  204    HA   ALA  32           HA       ALA  32 -21.988  -0.523   1.044
  205   1HB   ALA  32          1HB       ALA  32 -21.183  -0.683   3.161
  206   2HB   ALA  32          2HB       ALA  32 -19.673  -0.908   2.280
  207   3HB   ALA  32          3HB       ALA  32 -20.068   0.669   2.961
  208    H    ALA  33           H        ALA  33 -20.518   2.224  -0.144
  209    HA   ALA  33           HA       ALA  33 -21.961   4.164   1.422
  210   1HB   ALA  33          1HB       ALA  33 -19.785   4.254  -0.303
  211   2HB   ALA  33          2HB       ALA  33 -21.060   5.122  -1.156
  212   3HB   ALA  33          3HB       ALA  33 -20.580   5.629   0.462
  213    H    ALA  34           H        ALA  34 -22.729   2.041  -1.074
  214    HA   ALA  34           HA       ALA  34 -25.145   3.598  -1.729
  215   1HB   ALA  34          1HB       ALA  34 -24.927   2.088  -3.918
  216   2HB   ALA  34          2HB       ALA  34 -24.165   3.672  -3.778
  217   3HB   ALA  34          3HB       ALA  34 -23.216   2.211  -3.502
  218    H    ALA  35           H        ALA  35 -24.730   1.656   0.379
  219    HA   ALA  35           HA       ALA  35 -26.678  -0.364  -0.486
  220   1HB   ALA  35          1HB       ALA  35 -24.962  -1.830  -0.354
  221   2HB   ALA  35          2HB       ALA  35 -24.000  -0.777   0.681
  222   3HB   ALA  35          3HB       ALA  35 -25.299  -1.748   1.374
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1  29.981  -1.665   4.546
    2   2H    GLY   1          2H        GLY   1  30.759  -2.238   3.153
    3   3H    GLY   1          3H        GLY   1  31.665  -1.513   4.392
    4   1HA   GLY   1          2HA       GLY   1  31.651  -4.061   4.196
    5   2HA   GLY   1          1HA       GLY   1  31.521  -3.311   5.780
    6    H    SER   2           H        SER   2  29.172  -2.813   6.436
    7    HA   SER   2           HA       SER   2  27.751  -5.323   6.238
    8   1HB   SER   2          1HB       SER   2  26.459  -3.104   7.679
    9   2HB   SER   2          2HB       SER   2  26.830  -4.742   8.224
   10    HG   SER   2           HG       SER   2  28.056  -2.614   8.967
   11    H    MET   3           H        MET   3  26.328  -5.729   4.706
   12    HA   MET   3           HA       MET   3  24.754  -3.494   3.612
   13   1HB   MET   3          1HB       MET   3  26.384  -5.198   2.202
   14   2HB   MET   3          2HB       MET   3  24.814  -5.965   2.028
   15   1HG   MET   3          1HG       MET   3  25.229  -3.051   1.454
   16   2HG   MET   3          2HG       MET   3  25.512  -4.298   0.239
   17   1HE   MET   3          1HE       MET   3  23.411  -6.125  -0.428
   18   2HE   MET   3          2HE       MET   3  22.221  -5.066  -1.187
   19   3HE   MET   3          3HE       MET   3  23.943  -4.761  -1.411
   20    H    ASN   4           H        ASN   4  22.543  -3.674   3.627
   21    HA   ASN   4           HA       ASN   4  21.556  -5.952   5.180
   22   1HB   ASN   4          1HB       ASN   4  21.195  -3.287   5.643
   23   2HB   ASN   4          2HB       ASN   4  19.718  -3.714   4.780
   24   1HD2  ASN   4          1HD2      ASN   4  20.934  -3.374   7.747
   25   2HD2  ASN   4          2HD2      ASN   4  19.981  -4.536   8.616
   26    H    ALA   5           H        ALA   5  20.607  -7.459   4.155
   27    HA   ALA   5           HA       ALA   5  19.176  -6.903   1.663
   28   1HB   ALA   5          1HB       ALA   5  21.078  -8.796   2.137
   29   2HB   ALA   5          2HB       ALA   5  19.590  -9.718   2.365
   30   3HB   ALA   5          3HB       ALA   5  19.876  -8.866   0.847
   31    HA   PRO   6           HA       PRO   6  16.140  -9.684   4.444
   32   1HB   PRO   6          1HB       PRO   6  17.092  -8.615   7.059
   33   2HB   PRO   6          2HB       PRO   6  16.441 -10.210   6.662
   34   1HG   PRO   6          1HG       PRO   6  19.042  -9.896   7.043
   35   2HG   PRO   6          2HG       PRO   6  18.447 -10.939   5.735
   36   1HD   PRO   6          1HD       PRO   6  19.572  -8.173   5.594
   37   2HD   PRO   6          2HD       PRO   6  19.803  -9.543   4.489
   38    H    ALA   7           H        ALA   7  17.302  -6.487   5.441
   39    HA   ALA   7           HA       ALA   7  14.882  -5.414   6.346
   40   1HB   ALA   7          1HB       ALA   7  16.282  -3.330   5.090
   41   2HB   ALA   7          2HB       ALA   7  16.299  -3.769   6.799
   42   3HB   ALA   7          3HB       ALA   7  17.501  -4.449   5.703
   43    H    ARG   8           H        ARG   8  16.229  -5.641   3.095
   44    HA   ARG   8           HA       ARG   8  14.181  -4.109   1.836
   45   1HB   ARG   8          1HB       ARG   8  16.433  -5.831   0.939
   46   2HB   ARG   8          2HB       ARG   8  15.130  -5.552  -0.209
   47   1HG   ARG   8          1HG       ARG   8  15.561  -3.035   0.597
   48   2HG   ARG   8          2HG       ARG   8  17.177  -3.706   0.832
   49   1HD   ARG   8          1HD       ARG   8  15.984  -4.511  -1.698
   50   2HD   ARG   8          2HD       ARG   8  16.125  -2.760  -1.545
   51    HE   ARG   8           HE       ARG   8  18.504  -3.044  -1.228
   52   1HH1  ARG   8          2HH1      ARG   8  16.759  -5.821  -2.478
   53   2HH1  ARG   8          1HH1      ARG   8  18.194  -6.616  -3.064
   54   1HH2  ARG   8          2HH2      ARG   8  20.363  -4.049  -2.016
   55   2HH2  ARG   8          1HH2      ARG   8  20.259  -5.598  -2.809
   56    H    ALA   9           H        ALA   9  14.653  -7.484   2.600
   57    HA   ALA   9           HA       ALA   9  12.516  -8.503   1.031
   58   1HB   ALA   9          1HB       ALA   9  14.229 -10.015   1.704
   59   2HB   ALA   9          2HB       ALA   9  13.983  -9.629   3.407
   60   3HB   ALA   9          3HB       ALA   9  12.745 -10.514   2.516
   61    H    ALA  10           H        ALA  10  12.814  -7.537   4.428
   62    HA   ALA  10           HA       ALA  10  10.168  -8.214   5.167
   63   1HB   ALA  10          1HB       ALA  10  11.222  -7.909   7.112
   64   2HB   ALA  10          2HB       ALA  10  12.449  -6.872   6.383
   65   3HB   ALA  10          3HB       ALA  10  10.900  -6.191   6.886
   66    H    ALA  11           H        ALA  11  11.596  -5.372   3.721
   67    HA   ALA  11           HA       ALA  11   9.463  -3.579   4.175
   68   1HB   ALA  11          1HB       ALA  11  11.378  -2.480   3.561
   69   2HB   ALA  11          2HB       ALA  11  11.786  -3.663   2.317
   70   3HB   ALA  11          3HB       ALA  11  10.502  -2.489   2.029
   71    H    LYS  12           H        LYS  12  10.153  -5.859   1.562
   72    HA   LYS  12           HA       LYS  12   8.136  -4.892  -0.172
   73   1HB   LYS  12          1HB       LYS  12   8.669  -6.653  -1.611
   74   2HB   LYS  12          2HB       LYS  12  10.176  -6.320  -0.773
   75   1HG   LYS  12          1HG       LYS  12  10.284  -8.385   0.024
   76   2HG   LYS  12          2HG       LYS  12   8.620  -8.328   0.607
   77   1HD   LYS  12          1HD       LYS  12   7.963  -8.683  -1.851
   78   2HD   LYS  12          2HD       LYS  12   9.645  -9.164  -2.086
   79   1HE   LYS  12          2HE       LYS  12   9.432 -10.956  -0.540
   80   2HE   LYS  12          1HE       LYS  12   7.858 -10.380   0.006
   81   1HZ   LYS  12          1HZ       LYS  12   8.200 -11.065  -2.825
   82   2HZ   LYS  12          2HZ       LYS  12   6.819 -11.171  -1.844
   83   3HZ   LYS  12          3HZ       LYS  12   8.057 -12.326  -1.699
   84    H    THR  13           H        THR  13   8.108  -7.239   2.432
   85    HA   THR  13           HA       THR  13   5.567  -8.356   1.844
   86    HB   THR  13           HB       THR  13   6.088  -8.274   4.682
   87    HG1  THR  13           1HG      THR  13   8.169  -8.680   4.764
   88   1HG2  THR  13          1HG2      THR  13   5.781 -10.573   4.538
   89   2HG2  THR  13          2HG2      THR  13   6.480 -10.666   2.923
   90   3HG2  THR  13          3HG2      THR  13   4.869  -9.986   3.144
   91    H    ALA  14           H        ALA  14   6.635  -5.560   3.706
   92    HA   ALA  14           HA       ALA  14   4.143  -4.940   4.889
   93   1HB   ALA  14          1HB       ALA  14   5.577  -2.541   4.506
   94   2HB   ALA  14          2HB       ALA  14   5.473  -3.523   5.966
   95   3HB   ALA  14          3HB       ALA  14   6.770  -3.807   4.803
   96    H    ALA  15           H        ALA  15   5.760  -3.751   1.956
   97    HA   ALA  15           HA       ALA  15   3.688  -2.016   1.140
   98   1HB   ALA  15          1HB       ALA  15   4.884  -2.698  -1.200
   99   2HB   ALA  15          2HB       ALA  15   5.494  -1.479  -0.083
  100   3HB   ALA  15          3HB       ALA  15   6.141  -3.119  -0.037
  101    H    ASP  16           H        ASP  16   4.328  -5.421   0.530
  102    HA   ASP  16           HA       ASP  16   2.459  -5.913  -1.484
  103   1HB   ASP  16          1HB       ASP  16   4.267  -7.433  -0.112
  104   2HB   ASP  16          2HB       ASP  16   2.748  -8.053   0.526
  105    H    ALA  17           H        ALA  17   2.112  -6.302   2.026
  106    HA   ALA  17           HA       ALA  17  -0.604  -7.059   1.949
  107   1HB   ALA  17          1HB       ALA  17  -0.543  -6.417   4.407
  108   2HB   ALA  17          2HB       ALA  17   0.595  -7.656   3.878
  109   3HB   ALA  17          3HB       ALA  17   1.153  -6.005   4.145
  110    H    LEU  18           H        LEU  18   0.983  -3.931   2.405
  111    HA   LEU  18           HA       LEU  18  -1.320  -2.504   3.175
  112   1HB   LEU  18          1HB       LEU  18   1.426  -1.936   2.674
  113   2HB   LEU  18          2HB       LEU  18   0.459  -0.765   1.799
  114    HG   LEU  18           HG       LEU  18  -0.778  -0.691   4.202
  115   1HD1  LEU  18          1HD1      LEU  18   2.131  -1.170   4.818
  116   2HD1  LEU  18          2HD1      LEU  18   0.872  -0.718   5.965
  117   3HD1  LEU  18          3HD1      LEU  18   0.818  -2.290   5.171
  118   1HD2  LEU  18          1HD2      LEU  18   0.534   1.350   4.630
  119   2HD2  LEU  18          2HD2      LEU  18   1.656   0.875   3.353
  120   3HD2  LEU  18          3HD2      LEU  18  -0.024   1.242   2.961
  121    H    ALA  19           H        ALA  19   0.206  -2.958  -0.008
  122    HA   ALA  19           HA       ALA  19  -1.442  -1.209  -1.451
  123   1HB   ALA  19          1HB       ALA  19  -0.844  -3.000  -3.345
  124   2HB   ALA  19          2HB       ALA  19   0.313  -1.813  -2.746
  125   3HB   ALA  19          3HB       ALA  19   0.346  -3.464  -2.129
  126    H    ALA  20           H        ALA  20  -1.830  -4.641  -0.700
  127    HA   ALA  20           HA       ALA  20  -4.222  -4.936  -2.237
  128   1HB   ALA  20          1HB       ALA  20  -4.402  -7.087  -0.835
  129   2HB   ALA  20          2HB       ALA  20  -3.053  -6.922  -1.958
  130   3HB   ALA  20          3HB       ALA  20  -2.803  -6.650  -0.233
  131    H    ALA  21           H        ALA  21  -3.527  -4.568   1.228
  132    HA   ALA  21           HA       ALA  21  -6.170  -4.813   2.142
  133   1HB   ALA  21          1HB       ALA  21  -5.296  -3.579   4.164
  134   2HB   ALA  21          2HB       ALA  21  -4.426  -5.047   3.717
  135   3HB   ALA  21          3HB       ALA  21  -3.753  -3.466   3.315
  136    H    LYS  22           H        LYS  22  -4.366  -2.039   0.950
  137    HA   LYS  22           HA       LYS  22  -6.150  -0.022   1.748
  138   1HB   LYS  22          1HB       LYS  22  -3.823  -0.240   0.093
  139   2HB   LYS  22          2HB       LYS  22  -5.041   0.695  -0.765
  140   1HG   LYS  22          1HG       LYS  22  -4.307   2.446   0.382
  141   2HG   LYS  22          2HG       LYS  22  -5.108   1.734   1.786
  142   1HD   LYS  22          1HD       LYS  22  -3.090   0.638   2.463
  143   2HD   LYS  22          2HD       LYS  22  -2.273   1.115   0.973
  144   1HE   LYS  22          2HE       LYS  22  -3.417   3.267   2.656
  145   2HE   LYS  22          1HE       LYS  22  -1.978   2.447   3.261
  146   1HZ   LYS  22          1HZ       LYS  22  -1.204   2.910   0.788
  147   2HZ   LYS  22          2HZ       LYS  22  -1.001   4.051   2.025
  148   3HZ   LYS  22          3HZ       LYS  22  -2.299   4.197   0.946
  149    H    LYS  23           H        LYS  23  -6.101  -2.138  -1.056
  150    HA   LYS  23           HA       LYS  23  -8.149  -0.814  -2.510
  151   1HB   LYS  23          1HB       LYS  23  -6.360  -2.726  -3.148
  152   2HB   LYS  23          2HB       LYS  23  -7.779  -3.733  -2.889
  153   1HG   LYS  23          1HG       LYS  23  -8.930  -1.966  -4.441
  154   2HG   LYS  23          2HG       LYS  23  -7.273  -1.664  -4.966
  155   1HD   LYS  23          1HD       LYS  23  -7.027  -3.789  -5.845
  156   2HD   LYS  23          2HD       LYS  23  -8.298  -4.467  -4.827
  157   1HE   LYS  23          2HE       LYS  23  -9.418  -2.437  -6.485
  158   2HE   LYS  23          1HE       LYS  23  -8.486  -3.547  -7.491
  159   1HZ   LYS  23          1HZ       LYS  23 -10.730  -4.333  -7.301
  160   2HZ   LYS  23          2HZ       LYS  23 -10.668  -4.263  -5.610
  161   3HZ   LYS  23          3HZ       LYS  23  -9.716  -5.392  -6.446
  162    H    THR  24           H        THR  24  -8.137  -3.602  -0.306
  163    HA   THR  24           HA       THR  24 -10.889  -4.183  -0.537
  164    HB   THR  24           HB       THR  24 -10.131  -4.941   2.042
  165    HG1  THR  24           1HG      THR  24  -8.024  -5.974   1.415
  166   1HG2  THR  24          1HG2      THR  24 -11.058  -6.117  -0.258
  167   2HG2  THR  24          2HG2      THR  24 -10.664  -6.969   1.235
  168   3HG2  THR  24          3HG2      THR  24  -9.473  -6.865  -0.061
  169    H    ALA  25           H        ALA  25  -9.056  -2.041   1.573
  170    HA   ALA  25           HA       ALA  25 -11.186  -1.314   3.281
  171   1HB   ALA  25          1HB       ALA  25  -9.515   0.895   3.183
  172   2HB   ALA  25          2HB       ALA  25  -9.405  -0.457   4.307
  173   3HB   ALA  25          3HB       ALA  25  -8.453  -0.466   2.824
  174    H    ALA  26           H        ALA  26  -9.964   0.073   0.254
  175    HA   ALA  26           HA       ALA  26 -11.757   2.256   0.165
  176   1HB   ALA  26          1HB       ALA  26  -9.907   2.422  -1.253
  177   2HB   ALA  26          2HB       ALA  26 -10.166   0.813  -1.930
  178   3HB   ALA  26          3HB       ALA  26 -11.262   2.132  -2.346
  179    H    ASP  27           H        ASP  27 -11.928  -1.044  -1.037
  180    HA   ASP  27           HA       ASP  27 -14.357  -0.937  -2.409
  181   1HB   ASP  27          1HB       ASP  27 -12.545  -2.869  -1.957
  182   2HB   ASP  27          2HB       ASP  27 -13.765  -3.359  -0.789
  183    H    ALA  28           H        ALA  28 -13.687  -1.750   0.976
  184    HA   ALA  28           HA       ALA  28 -16.371  -2.063   1.778
  185   1HB   ALA  28          1HB       ALA  28 -14.592  -1.108   3.876
  186   2HB   ALA  28          2HB       ALA  28 -15.476  -2.627   3.746
  187   3HB   ALA  28          3HB       ALA  28 -13.913  -2.445   2.948
  188    H    ALA  29           H        ALA  29 -14.205   0.722   1.735
  189    HA   ALA  29           HA       ALA  29 -15.808   2.532   3.147
  190   1HB   ALA  29          1HB       ALA  29 -13.429   2.899   2.560
  191   2HB   ALA  29          2HB       ALA  29 -13.918   3.183   0.890
  192   3HB   ALA  29          3HB       ALA  29 -14.464   4.273   2.163
  193    H    ALA  30           H        ALA  30 -15.896   1.489  -0.196
  194    HA   ALA  30           HA       ALA  30 -17.620   3.515  -1.168
  195   1HB   ALA  30          1HB       ALA  30 -16.295   2.161  -2.678
  196   2HB   ALA  30          2HB       ALA  30 -17.175   0.714  -2.189
  197   3HB   ALA  30          3HB       ALA  30 -18.009   1.999  -3.064
  198    H    ALA  31           H        ALA  31 -18.169   0.671   0.708
  199    HA   ALA  31           HA       ALA  31 -20.981   0.464   0.131
  200   1HB   ALA  31          1HB       ALA  31 -19.991  -0.690   2.655
  201   2HB   ALA  31          2HB       ALA  31 -20.931  -1.430   1.359
  202   3HB   ALA  31          3HB       ALA  31 -19.182  -1.264   1.196
  203    H    ALA  32           H        ALA  32 -19.053   2.508   1.998
  204    HA   ALA  32           HA       ALA  32 -21.183   3.179   3.883
  205   1HB   ALA  32          1HB       ALA  32 -19.210   3.221   5.050
  206   2HB   ALA  32          2HB       ALA  32 -18.280   3.812   3.672
  207   3HB   ALA  32          3HB       ALA  32 -19.329   4.911   4.565
  208    H    ALA  33           H        ALA  33 -21.241   3.646   0.926
  209    HA   ALA  33           HA       ALA  33 -21.246   6.426   0.453
  210   1HB   ALA  33          1HB       ALA  33 -22.423   5.947  -1.541
  211   2HB   ALA  33          2HB       ALA  33 -21.357   4.568  -1.273
  212   3HB   ALA  33          3HB       ALA  33 -23.073   4.444  -0.888
  213    H    ALA  34           H        ALA  34 -22.249   7.646   1.895
  214    HA   ALA  34           HA       ALA  34 -23.939   8.807   2.863
  215   1HB   ALA  34          1HB       ALA  34 -25.371   7.296   0.809
  216   2HB   ALA  34          2HB       ALA  34 -26.363   7.705   2.212
  217   3HB   ALA  34          3HB       ALA  34 -25.542   8.978   1.310
  218    H    ALA  35           H        ALA  35 -22.662   7.032   4.350
  219    HA   ALA  35           HA       ALA  35 -24.777   6.064   6.139
  220   1HB   ALA  35          1HB       ALA  35 -23.201   4.335   4.723
  221   2HB   ALA  35          2HB       ALA  35 -22.302   4.499   6.231
  222   3HB   ALA  35          3HB       ALA  35 -23.981   3.965   6.261
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1   9.423   2.837  14.473
    2   2H    GLY   1          2H        GLY   1  10.417   4.189  14.226
    3   3H    GLY   1          3H        GLY   1  11.007   2.850  15.081
    4   1HA   GLY   1          2HA       GLY   1  10.073   2.040  12.538
    5   2HA   GLY   1          1HA       GLY   1  11.231   3.352  12.374
    6    H    SER   2           H        SER   2  10.914   0.083  12.522
    7    HA   SER   2           HA       SER   2  13.341  -0.533  13.956
    8   1HB   SER   2          1HB       SER   2  12.100  -2.513  12.109
    9   2HB   SER   2          2HB       SER   2  12.701  -2.730  13.755
   10    HG   SER   2           HG       SER   2  10.193  -2.378  12.978
   11    H    MET   3           H        MET   3  15.263  -1.388  13.025
   12    HA   MET   3           HA       MET   3  15.617  -0.740  10.171
   13   1HB   MET   3          1HB       MET   3  16.695   0.717  12.336
   14   2HB   MET   3          2HB       MET   3  18.027  -0.183  11.625
   15   1HG   MET   3          1HG       MET   3  16.209   1.782  10.262
   16   2HG   MET   3          2HG       MET   3  17.937   1.941  10.571
   17   1HE   MET   3          1HE       MET   3  18.540   1.751   6.989
   18   2HE   MET   3          2HE       MET   3  16.882   2.285   7.277
   19   3HE   MET   3          3HE       MET   3  18.170   2.759   8.388
   20    H    ASN   4           H        ASN   4  15.262  -3.261  11.623
   21    HA   ASN   4           HA       ASN   4  17.870  -4.533  11.406
   22   1HB   ASN   4          1HB       ASN   4  16.582  -6.594  12.139
   23   2HB   ASN   4          2HB       ASN   4  16.647  -5.276  13.300
   24   1HD2  ASN   4          1HD2      ASN   4  14.753  -7.520  12.937
   25   2HD2  ASN   4          2HD2      ASN   4  13.191  -6.773  12.837
   26    H    ALA   5           H        ALA   5  18.164  -6.447  10.114
   27    HA   ALA   5           HA       ALA   5  17.548  -5.909   7.434
   28   1HB   ALA   5          1HB       ALA   5  19.135  -7.398   6.984
   29   2HB   ALA   5          2HB       ALA   5  19.371  -7.478   8.730
   30   3HB   ALA   5          3HB       ALA   5  18.342  -8.664   7.922
   31    HA   PRO   6           HA       PRO   6  14.570  -9.822   7.573
   32   1HB   PRO   6          1HB       PRO   6  13.255  -9.972  10.022
   33   2HB   PRO   6          2HB       PRO   6  14.545 -11.050   9.481
   34   1HG   PRO   6          1HG       PRO   6  14.685  -8.663  11.266
   35   2HG   PRO   6          2HG       PRO   6  15.564 -10.201  11.372
   36   1HD   PRO   6          1HD       PRO   6  16.747  -7.979  10.461
   37   2HD   PRO   6          2HD       PRO   6  17.105  -9.568   9.753
   38    H    ALA   7           H        ALA   7  13.872  -7.016   9.645
   39    HA   ALA   7           HA       ALA   7  11.126  -6.846   8.916
   40   1HB   ALA   7          1HB       ALA   7  12.706  -4.492   9.871
   41   2HB   ALA   7          2HB       ALA   7  11.026  -4.918  10.200
   42   3HB   ALA   7          3HB       ALA   7  12.331  -5.828  10.961
   43    H    ARG   8           H        ARG   8  14.090  -5.433   7.674
   44    HA   ARG   8           HA       ARG   8  12.795  -3.691   5.817
   45   1HB   ARG   8          1HB       ARG   8  15.432  -4.117   6.706
   46   2HB   ARG   8          2HB       ARG   8  15.449  -4.456   4.980
   47   1HG   ARG   8          1HG       ARG   8  14.300  -2.237   4.650
   48   2HG   ARG   8          2HG       ARG   8  14.630  -1.909   6.353
   49   1HD   ARG   8          1HD       ARG   8  16.816  -2.733   4.477
   50   2HD   ARG   8          2HD       ARG   8  16.293  -1.053   4.582
   51    HE   ARG   8           HE       ARG   8  16.938  -1.092   6.928
   52   1HH1  ARG   8          2HH1      ARG   8  18.136  -3.705   4.919
   53   2HH1  ARG   8          1HH1      ARG   8  19.505  -4.027   5.949
   54   1HH2  ARG   8          2HH2      ARG   8  18.714  -1.541   8.279
   55   2HH2  ARG   8          1HH2      ARG   8  19.816  -2.810   7.858
   56    H    ALA   9           H        ALA   9  13.936  -6.988   5.766
   57    HA   ALA   9           HA       ALA   9  13.669  -7.400   2.963
   58   1HB   ALA   9          1HB       ALA   9  14.413  -9.494   3.381
   59   2HB   ALA   9          2HB       ALA   9  14.813  -8.817   4.959
   60   3HB   ALA   9          3HB       ALA   9  13.317  -9.724   4.744
   61    H    ALA  10           H        ALA  10  11.613  -8.171   5.754
   62    HA   ALA  10           HA       ALA  10   9.460  -9.125   4.119
   63   1HB   ALA  10          1HB       ALA  10   8.639  -8.406   6.787
   64   2HB   ALA  10          2HB       ALA  10   8.732  -9.995   6.024
   65   3HB   ALA  10          3HB       ALA  10  10.153  -9.311   6.811
   66    H    ALA  11           H        ALA  11  10.573  -6.076   4.690
   67    HA   ALA  11           HA       ALA  11   8.216  -4.580   5.073
   68   1HB   ALA  11          1HB       ALA  11  10.088  -3.151   3.436
   69   2HB   ALA  11          2HB       ALA  11   9.657  -2.886   5.126
   70   3HB   ALA  11          3HB       ALA  11  10.945  -4.019   4.709
   71    H    LYS  12           H        LYS  12   9.712  -5.985   2.236
   72    HA   LYS  12           HA       LYS  12   8.176  -4.683   0.264
   73   1HB   LYS  12          1HB       LYS  12  10.203  -5.975  -0.252
   74   2HB   LYS  12          2HB       LYS  12   9.391  -7.457   0.235
   75   1HG   LYS  12          1HG       LYS  12   7.923  -7.373  -1.615
   76   2HG   LYS  12          2HG       LYS  12   8.393  -5.715  -1.998
   77   1HD   LYS  12          1HD       LYS  12  10.765  -6.722  -2.273
   78   2HD   LYS  12          2HD       LYS  12   9.910  -8.258  -2.415
   79   1HE   LYS  12          2HE       LYS  12   8.894  -6.009  -4.050
   80   2HE   LYS  12          1HE       LYS  12  10.452  -6.693  -4.513
   81   1HZ   LYS  12          1HZ       LYS  12   9.208  -8.925  -4.319
   82   2HZ   LYS  12          2HZ       LYS  12   8.964  -7.970  -5.695
   83   3HZ   LYS  12          3HZ       LYS  12   7.803  -7.985  -4.459
   84    H    THR  13           H        THR  13   7.710  -7.760   1.972
   85    HA   THR  13           HA       THR  13   5.232  -8.416   0.810
   86    HB   THR  13           HB       THR  13   5.510  -9.370   3.537
   87    HG1  THR  13           1HG      THR  13   7.539 -10.521   3.026
   88   1HG2  THR  13          1HG2      THR  13   4.616 -10.317   1.091
   89   2HG2  THR  13          2HG2      THR  13   4.776 -11.259   2.574
   90   3HG2  THR  13          3HG2      THR  13   6.080 -11.250   1.384
   91    H    ALA  14           H        ALA  14   6.119  -6.565   3.685
   92    HA   ALA  14           HA       ALA  14   3.500  -6.188   4.686
   93   1HB   ALA  14          1HB       ALA  14   4.477  -4.373   6.005
   94   2HB   ALA  14          2HB       ALA  14   5.491  -5.814   6.052
   95   3HB   ALA  14          3HB       ALA  14   5.944  -4.448   5.030
   96    H    ALA  15           H        ALA  15   5.511  -4.328   2.435
   97    HA   ALA  15           HA       ALA  15   3.693  -2.192   2.071
   98   1HB   ALA  15          1HB       ALA  15   5.740  -1.604   1.267
   99   2HB   ALA  15          2HB       ALA  15   6.078  -3.216   0.635
  100   3HB   ALA  15          3HB       ALA  15   4.996  -2.133  -0.242
  101    H    ASP  16           H        ASP  16   4.125  -5.290   0.445
  102    HA   ASP  16           HA       ASP  16   2.201  -4.946  -1.574
  103   1HB   ASP  16          1HB       ASP  16   3.618  -6.787  -1.873
  104   2HB   ASP  16          2HB       ASP  16   3.399  -7.347  -0.219
  105    H    ALA  17           H        ALA  17   1.977  -6.212   1.711
  106    HA   ALA  17           HA       ALA  17  -0.772  -6.822   1.691
  107   1HB   ALA  17          1HB       ALA  17  -0.467  -7.393   3.849
  108   2HB   ALA  17          2HB       ALA  17   1.243  -7.197   3.465
  109   3HB   ALA  17          3HB       ALA  17   0.357  -5.886   4.245
  110    H    LEU  18           H        LEU  18   1.005  -3.866   2.400
  111    HA   LEU  18           HA       LEU  18  -1.195  -2.337   3.312
  112   1HB   LEU  18          1HB       LEU  18   0.782  -1.329   3.875
  113   2HB   LEU  18          2HB       LEU  18   1.570  -1.783   2.377
  114    HG   LEU  18           HG       LEU  18  -0.358   0.048   1.579
  115   1HD1  LEU  18          1HD1      LEU  18  -0.487   1.787   3.036
  116   2HD1  LEU  18          2HD1      LEU  18  -0.380   0.455   4.185
  117   3HD1  LEU  18          3HD1      LEU  18   1.055   1.409   3.804
  118   1HD2  LEU  18          1HD2      LEU  18   2.254   1.207   2.135
  119   2HD2  LEU  18          2HD2      LEU  18   2.341  -0.354   1.321
  120   3HD2  LEU  18          3HD2      LEU  18   1.421   0.964   0.598
  121    H    ALA  19           H        ALA  19   0.292  -2.757   0.126
  122    HA   ALA  19           HA       ALA  19  -1.332  -0.952  -1.293
  123   1HB   ALA  19          1HB       ALA  19  -0.645  -3.085  -3.019
  124   2HB   ALA  19          2HB       ALA  19   0.133  -1.510  -2.866
  125   3HB   ALA  19          3HB       ALA  19   0.697  -2.868  -1.894
  126    H    ALA  20           H        ALA  20  -1.662  -4.418  -0.653
  127    HA   ALA  20           HA       ALA  20  -4.083  -4.784  -2.061
  128   1HB   ALA  20          1HB       ALA  20  -2.717  -6.681  -1.449
  129   2HB   ALA  20          2HB       ALA  20  -2.935  -6.325   0.266
  130   3HB   ALA  20          3HB       ALA  20  -4.312  -6.843  -0.709
  131    H    ALA  21           H        ALA  21  -3.379  -3.964   1.313
  132    HA   ALA  21           HA       ALA  21  -6.018  -4.049   2.279
  133   1HB   ALA  21          1HB       ALA  21  -3.652  -3.755   3.473
  134   2HB   ALA  21          2HB       ALA  21  -4.160  -2.065   3.457
  135   3HB   ALA  21          3HB       ALA  21  -5.169  -3.283   4.240
  136    H    LYS  22           H        LYS  22  -4.214  -1.552   0.607
  137    HA   LYS  22           HA       LYS  22  -5.968   0.604   1.007
  138   1HB   LYS  22          1HB       LYS  22  -3.823  -0.087  -0.896
  139   2HB   LYS  22          2HB       LYS  22  -5.013   1.054  -1.508
  140   1HG   LYS  22          1HG       LYS  22  -4.184   1.754   1.164
  141   2HG   LYS  22          2HG       LYS  22  -2.803   1.621   0.074
  142   1HD   LYS  22          1HD       LYS  22  -4.310   3.025  -1.533
  143   2HD   LYS  22          2HD       LYS  22  -5.148   3.464  -0.044
  144   1HE   LYS  22          2HE       LYS  22  -2.602   3.843   0.726
  145   2HE   LYS  22          1HE       LYS  22  -2.451   4.192  -0.996
  146   1HZ   LYS  22          1HZ       LYS  22  -3.010   6.108   0.554
  147   2HZ   LYS  22          2HZ       LYS  22  -4.567   5.436   0.650
  148   3HZ   LYS  22          3HZ       LYS  22  -3.954   5.941  -0.846
  149    H    LYS  23           H        LYS  23  -5.990  -2.063  -1.271
  150    HA   LYS  23           HA       LYS  23  -8.216  -1.111  -2.787
  151   1HB   LYS  23          1HB       LYS  23  -6.346  -3.057  -3.191
  152   2HB   LYS  23          2HB       LYS  23  -7.735  -4.022  -2.715
  153   1HG   LYS  23          1HG       LYS  23  -9.060  -2.869  -4.475
  154   2HG   LYS  23          2HG       LYS  23  -7.572  -2.083  -5.006
  155   1HD   LYS  23          1HD       LYS  23  -6.581  -4.187  -5.571
  156   2HD   LYS  23          2HD       LYS  23  -7.918  -5.076  -4.837
  157   1HE   LYS  23          2HE       LYS  23  -8.624  -3.136  -6.950
  158   2HE   LYS  23          1HE       LYS  23  -7.734  -4.565  -7.472
  159   1HZ   LYS  23          1HZ       LYS  23 -10.401  -4.451  -7.164
  160   2HZ   LYS  23          2HZ       LYS  23  -9.934  -5.110  -5.676
  161   3HZ   LYS  23          3HZ       LYS  23  -9.494  -5.883  -7.122
  162    H    THR  24           H        THR  24  -7.780  -3.493  -0.189
  163    HA   THR  24           HA       THR  24 -10.427  -4.325   0.064
  164    HB   THR  24           HB       THR  24  -8.623  -4.038   2.450
  165    HG1  THR  24           1HG      THR  24  -8.444  -6.140   0.525
  166   1HG2  THR  24          1HG2      THR  24 -10.955  -5.644   1.665
  167   2HG2  THR  24          2HG2      THR  24 -10.414  -5.132   3.266
  168   3HG2  THR  24          3HG2      THR  24  -9.677  -6.536   2.487
  169    H    ALA  25           H        ALA  25  -8.740  -1.625   1.645
  170    HA   ALA  25           HA       ALA  25 -10.834  -0.830   3.340
  171   1HB   ALA  25          1HB       ALA  25  -8.328   0.378   2.352
  172   2HB   ALA  25          2HB       ALA  25  -9.551   1.494   2.958
  173   3HB   ALA  25          3HB       ALA  25  -8.934   0.211   3.998
  174    H    ALA  26           H        ALA  26  -9.913   0.359   0.112
  175    HA   ALA  26           HA       ALA  26 -11.993   2.238  -0.145
  176   1HB   ALA  26          1HB       ALA  26 -11.139   0.961  -2.639
  177   2HB   ALA  26          2HB       ALA  26 -11.086   2.657  -2.156
  178   3HB   ALA  26          3HB       ALA  26  -9.814   1.555  -1.636
  179    H    ASP  27           H        ASP  27 -11.716  -1.137  -1.113
  180    HA   ASP  27           HA       ASP  27 -14.164  -1.457  -2.414
  181   1HB   ASP  27          1HB       ASP  27 -12.106  -3.048  -2.140
  182   2HB   ASP  27          2HB       ASP  27 -12.965  -3.629  -0.719
  183    H    ALA  28           H        ALA  28 -13.321  -1.725   1.000
  184    HA   ALA  28           HA       ALA  28 -15.924  -2.636   1.794
  185   1HB   ALA  28          1HB       ALA  28 -14.701  -1.754   4.087
  186   2HB   ALA  28          2HB       ALA  28 -14.588  -3.383   3.417
  187   3HB   ALA  28          3HB       ALA  28 -13.340  -2.191   3.055
  188    H    ALA  29           H        ALA  29 -14.317   0.470   1.557
  189    HA   ALA  29           HA       ALA  29 -15.940   1.957   3.297
  190   1HB   ALA  29          1HB       ALA  29 -14.204   2.663   0.970
  191   2HB   ALA  29          2HB       ALA  29 -15.214   3.896   1.722
  192   3HB   ALA  29          3HB       ALA  29 -14.000   3.046   2.677
  193    H    ALA  30           H        ALA  30 -16.452   0.896   0.018
  194    HA   ALA  30           HA       ALA  30 -18.591   2.629  -0.629
  195   1HB   ALA  30          1HB       ALA  30 -18.111  -0.147  -1.703
  196   2HB   ALA  30          2HB       ALA  30 -19.025   1.153  -2.470
  197   3HB   ALA  30          3HB       ALA  30 -17.278   1.298  -2.274
  198    H    ALA  31           H        ALA  31 -18.453  -0.601   0.809
  199    HA   ALA  31           HA       ALA  31 -21.326  -0.827   0.971
  200   1HB   ALA  31          1HB       ALA  31 -19.794  -2.777   0.616
  201   2HB   ALA  31          2HB       ALA  31 -19.262  -2.586   2.288
  202   3HB   ALA  31          3HB       ALA  31 -20.947  -2.977   1.936
  203    H    ALA  32           H        ALA  32 -18.648  -0.130   3.141
  204    HA   ALA  32           HA       ALA  32 -20.441   0.045   5.438
  205   1HB   ALA  32          1HB       ALA  32 -17.491   0.542   5.546
  206   2HB   ALA  32          2HB       ALA  32 -18.566  -0.082   6.796
  207   3HB   ALA  32          3HB       ALA  32 -18.125  -1.099   5.425
  208    H    ALA  33           H        ALA  33 -21.320   1.940   3.997
  209    HA   ALA  33           HA       ALA  33 -19.905   4.408   4.055
  210   1HB   ALA  33          1HB       ALA  33 -22.865   4.412   3.930
  211   2HB   ALA  33          2HB       ALA  33 -21.686   5.284   2.952
  212   3HB   ALA  33          3HB       ALA  33 -21.994   3.574   2.644
  213    H    ALA  34           H        ALA  34 -21.911   2.725   6.311
  214    HA   ALA  34           HA       ALA  34 -21.616   4.967   8.197
  215   1HB   ALA  34          1HB       ALA  34 -24.037   4.096   7.149
  216   2HB   ALA  34          2HB       ALA  34 -23.957   3.348   8.745
  217   3HB   ALA  34          3HB       ALA  34 -23.807   5.097   8.584
  218    H    ALA  35           H        ALA  35 -19.750   3.023   8.052
  219    HA   ALA  35           HA       ALA  35 -20.161   1.593  10.563
  220   1HB   ALA  35          1HB       ALA  35 -20.597  -0.247   9.288
  221   2HB   ALA  35          2HB       ALA  35 -19.663   0.347   7.912
  222   3HB   ALA  35          3HB       ALA  35 -18.835  -0.336   9.312
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1  24.232  -6.252   6.485
    2   2H    GLY   1          2H        GLY   1  25.208  -6.471   7.853
    3   3H    GLY   1          3H        GLY   1  25.917  -6.363   6.320
    4   1HA   GLY   1          2HA       GLY   1  25.776  -4.323   8.002
    5   2HA   GLY   1          1HA       GLY   1  25.828  -4.139   6.254
    6    H    SER   2           H        SER   2  24.771  -2.065   6.983
    7    HA   SER   2           HA       SER   2  22.159  -1.988   7.965
    8   1HB   SER   2          1HB       SER   2  22.927   0.113   6.036
    9   2HB   SER   2          2HB       SER   2  22.359   0.259   7.700
   10    HG   SER   2           HG       SER   2  24.859   0.419   6.797
   11    H    MET   3           H        MET   3  23.360  -1.967   4.625
   12    HA   MET   3           HA       MET   3  20.661  -2.131   3.565
   13   1HB   MET   3          1HB       MET   3  22.875  -0.972   2.572
   14   2HB   MET   3          2HB       MET   3  23.030  -2.551   1.814
   15   1HG   MET   3          1HG       MET   3  21.480  -2.069   0.311
   16   2HG   MET   3          2HG       MET   3  20.346  -1.546   1.557
   17   1HE   MET   3          1HE       MET   3  20.438   0.886  -1.330
   18   2HE   MET   3          2HE       MET   3  22.092   0.367  -1.652
   19   3HE   MET   3          3HE       MET   3  20.842  -0.829  -1.302
   20    H    ASN   4           H        ASN   4  20.484  -4.207   4.912
   21    HA   ASN   4           HA       ASN   4  21.880  -6.509   3.902
   22   1HB   ASN   4          1HB       ASN   4  20.459  -5.858   6.263
   23   2HB   ASN   4          2HB       ASN   4  19.645  -7.240   5.531
   24   1HD2  ASN   4          1HD2      ASN   4  20.315  -9.009   6.516
   25   2HD2  ASN   4          2HD2      ASN   4  21.959  -9.408   6.878
   26    H    ALA   5           H        ALA   5  21.262  -7.859   2.390
   27    HA   ALA   5           HA       ALA   5  19.145  -7.382   0.646
   28   1HB   ALA   5          1HB       ALA   5  20.051 -10.178   0.841
   29   2HB   ALA   5          2HB       ALA   5  19.948  -9.110  -0.556
   30   3HB   ALA   5          3HB       ALA   5  21.306  -8.970   0.563
   31    HA   PRO   6           HA       PRO   6  16.637 -10.943   2.951
   32   1HB   PRO   6          1HB       PRO   6  17.720 -10.507   5.686
   33   2HB   PRO   6          2HB       PRO   6  17.215 -12.005   4.897
   34   1HG   PRO   6          1HG       PRO   6  19.794 -11.460   5.237
   35   2HG   PRO   6          2HG       PRO   6  19.213 -12.235   3.751
   36   1HD   PRO   6          1HD       PRO   6  20.021  -9.394   4.216
   37   2HD   PRO   6          2HD       PRO   6  20.301 -10.430   2.802
   38    H    ALA   7           H        ALA   7  17.695  -7.951   4.442
   39    HA   ALA   7           HA       ALA   7  15.260  -7.409   5.826
   40   1HB   ALA   7          1HB       ALA   7  17.084  -6.279   6.714
   41   2HB   ALA   7          2HB       ALA   7  17.680  -5.792   5.126
   42   3HB   ALA   7          3HB       ALA   7  16.251  -5.016   5.808
   43    H    ARG   8           H        ARG   8  16.614  -6.493   2.704
   44    HA   ARG   8           HA       ARG   8  14.582  -4.707   1.915
   45   1HB   ARG   8          1HB       ARG   8  16.958  -5.447   0.868
   46   2HB   ARG   8          2HB       ARG   8  15.876  -6.353  -0.180
   47   1HG   ARG   8          1HG       ARG   8  15.852  -4.477  -1.387
   48   2HG   ARG   8          2HG       ARG   8  14.676  -3.935  -0.188
   49   1HD   ARG   8          1HD       ARG   8  16.042  -2.238   0.260
   50   2HD   ARG   8          2HD       ARG   8  17.157  -3.410   0.959
   51    HE   ARG   8           HE       ARG   8  18.437  -3.350  -0.986
   52   1HH1  ARG   8          2HH1      ARG   8  15.601  -1.286  -1.242
   53   2HH1  ARG   8          1HH1      ARG   8  16.203  -0.431  -2.636
   54   1HH2  ARG   8          2HH2      ARG   8  19.198  -2.247  -2.827
   55   2HH2  ARG   8          1HH2      ARG   8  18.235  -0.985  -3.542
   56    H    ALA   9           H        ALA   9  14.968  -8.191   1.529
   57    HA   ALA   9           HA       ALA   9  12.738  -8.634  -0.124
   58   1HB   ALA   9          1HB       ALA   9  12.880 -10.990   0.948
   59   2HB   ALA   9          2HB       ALA   9  14.210 -10.411  -0.053
   60   3HB   ALA   9          3HB       ALA   9  14.345 -10.364   1.704
   61    H    ALA  10           H        ALA  10  13.086  -8.530   3.381
   62    HA   ALA  10           HA       ALA  10  10.476  -9.425   4.011
   63   1HB   ALA  10          1HB       ALA  10  11.386  -9.445   6.037
   64   2HB   ALA  10          2HB       ALA  10  12.799  -8.594   5.416
   65   3HB   ALA  10          3HB       ALA  10  11.426  -7.682   6.041
   66    H    ALA  11           H        ALA  11  11.789  -6.336   3.096
   67    HA   ALA  11           HA       ALA  11   9.580  -4.766   4.042
   68   1HB   ALA  11          1HB       ALA  11  12.072  -4.277   2.524
   69   2HB   ALA  11          2HB       ALA  11  10.753  -3.128   2.291
   70   3HB   ALA  11          3HB       ALA  11  11.395  -3.417   3.908
   71    H    LYS  12           H        LYS  12  10.303  -6.569   1.208
   72    HA   LYS  12           HA       LYS  12   8.664  -5.250  -0.662
   73   1HB   LYS  12          1HB       LYS  12   9.938  -7.928  -0.457
   74   2HB   LYS  12          2HB       LYS  12   8.595  -7.774  -1.581
   75   1HG   LYS  12          1HG       LYS  12  10.803  -5.772  -1.655
   76   2HG   LYS  12          2HG       LYS  12  11.036  -7.364  -2.379
   77   1HD   LYS  12          1HD       LYS  12   9.612  -6.940  -4.082
   78   2HD   LYS  12          2HD       LYS  12   8.510  -6.008  -3.066
   79   1HE   LYS  12          2HE       LYS  12  11.175  -5.024  -4.070
   80   2HE   LYS  12          1HE       LYS  12   9.626  -4.663  -4.828
   81   1HZ   LYS  12          1HZ       LYS  12   9.640  -2.888  -3.505
   82   2HZ   LYS  12          2HZ       LYS  12  10.833  -3.522  -2.474
   83   3HZ   LYS  12          3HZ       LYS  12   9.209  -3.948  -2.255
   84    H    THR  13           H        THR  13   8.049  -8.074   1.400
   85    HA   THR  13           HA       THR  13   5.352  -8.425   0.627
   86    HB   THR  13           HB       THR  13   5.791  -9.412   3.275
   87    HG1  THR  13           1HG      THR  13   7.755 -10.478   2.989
   88   1HG2  THR  13          1HG2      THR  13   4.966 -10.315   0.694
   89   2HG2  THR  13          2HG2      THR  13   4.709 -11.083   2.262
   90   3HG2  THR  13          3HG2      THR  13   6.165 -11.443   1.330
   91    H    ALA  14           H        ALA  14   6.914  -6.569   3.158
   92    HA   ALA  14           HA       ALA  14   4.704  -6.031   4.789
   93   1HB   ALA  14          1HB       ALA  14   6.708  -3.877   4.492
   94   2HB   ALA  14          2HB       ALA  14   6.096  -4.672   5.943
   95   3HB   ALA  14          3HB       ALA  14   7.324  -5.463   4.956
   96    H    ALA  15           H        ALA  15   6.029  -4.171   2.067
   97    HA   ALA  15           HA       ALA  15   3.998  -2.171   2.175
   98   1HB   ALA  15          1HB       ALA  15   6.286  -1.885   1.160
   99   2HB   ALA  15          2HB       ALA  15   5.710  -2.836  -0.210
  100   3HB   ALA  15          3HB       ALA  15   4.939  -1.299   0.179
  101    H    ASP  16           H        ASP  16   4.463  -5.143   0.355
  102    HA   ASP  16           HA       ASP  16   2.450  -4.876  -1.549
  103   1HB   ASP  16          1HB       ASP  16   3.962  -6.653  -1.855
  104   2HB   ASP  16          2HB       ASP  16   3.708  -7.267  -0.225
  105    H    ALA  17           H        ALA  17   2.289  -6.298   1.696
  106    HA   ALA  17           HA       ALA  17  -0.390  -7.114   1.591
  107   1HB   ALA  17          1HB       ALA  17   0.514  -8.068   3.412
  108   2HB   ALA  17          2HB       ALA  17   1.633  -6.728   3.684
  109   3HB   ALA  17          3HB       ALA  17  -0.042  -6.605   4.230
  110    H    LEU  18           H        LEU  18   1.054  -4.036   2.546
  111    HA   LEU  18           HA       LEU  18  -1.342  -2.940   3.615
  112   1HB   LEU  18          1HB       LEU  18   1.327  -2.247   3.649
  113   2HB   LEU  18          2HB       LEU  18   0.611  -0.998   2.650
  114    HG   LEU  18           HG       LEU  18  -0.800  -0.251   4.397
  115   1HD1  LEU  18          1HD1      LEU  18  -0.672  -1.517   6.651
  116   2HD1  LEU  18          2HD1      LEU  18  -1.715  -2.136   5.373
  117   3HD1  LEU  18          3HD1      LEU  18  -0.144  -2.879   5.664
  118   1HD2  LEU  18          1HD2      LEU  18   0.772   0.262   6.201
  119   2HD2  LEU  18          2HD2      LEU  18   1.879  -0.964   5.584
  120   3HD2  LEU  18          3HD2      LEU  18   1.517   0.462   4.614
  121    H    ALA  19           H        ALA  19   0.187  -2.849   0.448
  122    HA   ALA  19           HA       ALA  19  -1.387  -0.870  -0.746
  123   1HB   ALA  19          1HB       ALA  19   0.642  -2.483  -1.580
  124   2HB   ALA  19          2HB       ALA  19  -0.723  -3.141  -2.481
  125   3HB   ALA  19          3HB       ALA  19  -0.305  -1.433  -2.634
  126    H    ALA  20           H        ALA  20  -1.902  -4.360  -0.452
  127    HA   ALA  20           HA       ALA  20  -4.388  -4.364  -1.848
  128   1HB   ALA  20          1HB       ALA  20  -2.743  -6.315  -1.382
  129   2HB   ALA  20          2HB       ALA  20  -3.641  -6.478   0.128
  130   3HB   ALA  20          3HB       ALA  20  -4.478  -6.629  -1.418
  131    H    ALA  21           H        ALA  21  -3.453  -4.113   1.529
  132    HA   ALA  21           HA       ALA  21  -5.923  -4.554   2.739
  133   1HB   ALA  21          1HB       ALA  21  -3.911  -4.484   4.042
  134   2HB   ALA  21          2HB       ALA  21  -3.636  -2.797   3.606
  135   3HB   ALA  21          3HB       ALA  21  -5.003  -3.231   4.633
  136    H    LYS  22           H        LYS  22  -4.486  -1.520   1.588
  137    HA   LYS  22           HA       LYS  22  -6.746   0.045   2.372
  138   1HB   LYS  22          1HB       LYS  22  -4.252   0.563   0.800
  139   2HB   LYS  22          2HB       LYS  22  -5.564   1.733   0.746
  140   1HG   LYS  22          1HG       LYS  22  -5.496   1.750   3.264
  141   2HG   LYS  22          2HG       LYS  22  -4.001   0.821   3.141
  142   1HD   LYS  22          1HD       LYS  22  -3.243   2.725   1.558
  143   2HD   LYS  22          2HD       LYS  22  -4.558   3.637   2.306
  144   1HE   LYS  22          2HE       LYS  22  -2.442   2.225   3.916
  145   2HE   LYS  22          1HE       LYS  22  -2.256   3.885   3.357
  146   1HZ   LYS  22          1HZ       LYS  22  -4.038   4.604   4.666
  147   2HZ   LYS  22          2HZ       LYS  22  -3.180   3.543   5.677
  148   3HZ   LYS  22          3HZ       LYS  22  -4.615   3.030   4.937
  149    H    LYS  23           H        LYS  23  -5.883  -1.756  -0.469
  150    HA   LYS  23           HA       LYS  23  -7.744  -0.546  -2.236
  151   1HB   LYS  23          1HB       LYS  23  -6.732  -1.880  -3.708
  152   2HB   LYS  23          2HB       LYS  23  -5.799  -2.576  -2.395
  153   1HG   LYS  23          1HG       LYS  23  -6.868  -4.519  -2.542
  154   2HG   LYS  23          2HG       LYS  23  -8.447  -3.735  -2.591
  155   1HD   LYS  23          1HD       LYS  23  -7.820  -3.143  -5.031
  156   2HD   LYS  23          2HD       LYS  23  -6.608  -4.414  -4.857
  157   1HE   LYS  23          2HE       LYS  23  -8.155  -5.958  -5.234
  158   2HE   LYS  23          1HE       LYS  23  -9.079  -5.388  -3.846
  159   1HZ   LYS  23          1HZ       LYS  23 -10.090  -3.703  -5.313
  160   2HZ   LYS  23          2HZ       LYS  23 -10.445  -5.292  -5.793
  161   3HZ   LYS  23          3HZ       LYS  23  -9.280  -4.389  -6.640
  162    H    THR  24           H        THR  24  -7.922  -3.222   0.056
  163    HA   THR  24           HA       THR  24 -10.601  -3.947  -0.531
  164    HB   THR  24           HB       THR  24  -9.165  -4.252   2.110
  165    HG1  THR  24           1HG      THR  24  -9.145  -5.944  -0.199
  166   1HG2  THR  24          1HG2      THR  24 -11.625  -5.428   0.910
  167   2HG2  THR  24          2HG2      THR  24 -11.297  -4.941   2.575
  168   3HG2  THR  24          3HG2      THR  24 -10.623  -6.445   1.948
  169    H    ALA  25           H        ALA  25  -9.145  -1.795   1.889
  170    HA   ALA  25           HA       ALA  25 -11.419  -1.130   3.327
  171   1HB   ALA  25          1HB       ALA  25  -8.975  -0.566   3.786
  172   2HB   ALA  25          2HB       ALA  25  -9.241   0.856   2.777
  173   3HB   ALA  25          3HB       ALA  25 -10.190   0.625   4.248
  174    H    ALA  26           H        ALA  26 -10.145   0.365   0.385
  175    HA   ALA  26           HA       ALA  26 -11.989   2.505   0.288
  176   1HB   ALA  26          1HB       ALA  26 -10.711   1.298  -2.142
  177   2HB   ALA  26          2HB       ALA  26 -11.116   2.985  -1.823
  178   3HB   ALA  26          3HB       ALA  26  -9.774   2.225  -0.971
  179    H    ASP  27           H        ASP  27 -11.929  -0.650  -1.365
  180    HA   ASP  27           HA       ASP  27 -14.301  -0.241  -2.843
  181   1HB   ASP  27          1HB       ASP  27 -12.636  -1.919  -3.474
  182   2HB   ASP  27          2HB       ASP  27 -12.988  -2.830  -2.010
  183    H    ALA  28           H        ALA  28 -13.689  -1.848   0.260
  184    HA   ALA  28           HA       ALA  28 -16.272  -2.839   0.697
  185   1HB   ALA  28          1HB       ALA  28 -14.305  -1.896   2.777
  186   2HB   ALA  28          2HB       ALA  28 -15.656  -3.000   3.030
  187   3HB   ALA  28          3HB       ALA  28 -14.297  -3.486   2.014
  188    H    ALA  29           H        ALA  29 -14.855   0.312   1.431
  189    HA   ALA  29           HA       ALA  29 -17.158   1.312   2.788
  190   1HB   ALA  29          1HB       ALA  29 -15.716   3.492   1.784
  191   2HB   ALA  29          2HB       ALA  29 -15.631   2.802   3.404
  192   3HB   ALA  29          3HB       ALA  29 -14.520   2.250   2.151
  193    H    ALA  30           H        ALA  30 -15.941   1.499  -0.523
  194    HA   ALA  30           HA       ALA  30 -17.825   3.353  -1.497
  195   1HB   ALA  30          1HB       ALA  30 -15.628   2.007  -2.517
  196   2HB   ALA  30          2HB       ALA  30 -16.980   1.427  -3.491
  197   3HB   ALA  30          3HB       ALA  30 -16.649   3.156  -3.382
  198    H    ALA  31           H        ALA  31 -17.837  -0.179  -1.333
  199    HA   ALA  31           HA       ALA  31 -20.352  -0.456  -2.677
  200   1HB   ALA  31          1HB       ALA  31 -19.710  -2.742  -1.067
  201   2HB   ALA  31          2HB       ALA  31 -19.718  -2.577  -2.824
  202   3HB   ALA  31          3HB       ALA  31 -18.268  -2.169  -1.907
  203    H    ALA  32           H        ALA  32 -19.507   0.527   0.409
  204    HA   ALA  32           HA       ALA  32 -21.823  -0.611   1.743
  205   1HB   ALA  32          1HB       ALA  32 -19.544  -0.330   2.823
  206   2HB   ALA  32          2HB       ALA  32 -19.909   1.393   2.908
  207   3HB   ALA  32          3HB       ALA  32 -20.933   0.231   3.753
  208    H    ALA  33           H        ALA  33 -22.786   0.832  -0.267
  209    HA   ALA  33           HA       ALA  33 -23.408   3.514   0.649
  210   1HB   ALA  33          1HB       ALA  33 -24.918   3.369  -1.487
  211   2HB   ALA  33          2HB       ALA  33 -23.166   3.531  -1.642
  212   3HB   ALA  33          3HB       ALA  33 -23.929   1.951  -1.840
  213    H    ALA  34           H        ALA  34 -24.648   0.369   0.872
  214    HA   ALA  34           HA       ALA  34 -27.294   1.328   1.717
  215   1HB   ALA  34          1HB       ALA  34 -27.585  -1.345   1.645
  216   2HB   ALA  34          2HB       ALA  34 -27.849  -0.307   0.245
  217   3HB   ALA  34          3HB       ALA  34 -26.313  -1.151   0.440
  218    H    ALA  35           H        ALA  35 -24.612   1.233   3.176
  219    HA   ALA  35           HA       ALA  35 -25.625  -0.017   5.615
  220   1HB   ALA  35          1HB       ALA  35 -23.602  -1.179   4.038
  221   2HB   ALA  35          2HB       ALA  35 -22.808  -0.495   5.457
  222   3HB   ALA  35          3HB       ALA  35 -24.124  -1.652   5.654